A0A3Q0KM68_SCHMA Loading...

Nucleolar GTP-binding protein 1

Involved in the biogenesis of the 60S ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A3Q0KM68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 625 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
1M93.8Very high96.7Very high106 Ų10690 Ų9052%0.52241%0.408SS..  0-59.70-61.4177-156.300113.4K3 V4 K5 V67 L70 K71M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.48Å; M1-V4 PolarHBondContact O-N 3.33Å; M1-K5 PolarHBondContact O-N 3.34Å; M1-K5 VanDerWaalsContact O-N 3.1Å; M1-V67 HydrophobicContact CG-CG1 4.49Å; M1-L70 HydrophobicContact CE-CB 4.41Å; M1-L70 HydrophobicContact CG-CB 4.04Å; M1-L70 HydrophobicContact CG-CD1 4.44Å; M1-K71 HydrophobicContact CE-CB 4.17Å; M1-K71 HydrophobicContact CE-CG 3.59Å; M1-K71 HydrophobicContact SD-CG 4.38Å
2R96.1Very high96.8Very high213 Ų21386.6 Ų86.680%0.80439%0.393SS*.Hα-helixtrans-46.7-50.4-178.7-175.8176.5174.9179.2-0.7113.8V4 K5 T6R2-V4 VanDerWaalsContact C-N 3.31Å; R2-V4 PolarHBondContact O-N 2.87Å; R2-K5 PolarHBondContact O-N 3.45Å; R2-T6 WeakPolarHBondContact O-CB 3.46Å; R2-T6 PolarHBondContact O-N 2.93Å; R2-T6 PolarHBondContact O-OG1 2.94Å
3K96.4Very high96.9Very high148 Ų14885.8 Ų85.864%0.64339%0.394SS*.Hα-helixtrans-55.7-40178.9-65.3-164174.2-160.20114M1 C7 K83M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.48Å; K3-C7 WeakPolarHBondContact O-CB 3.43Å; K3-C7 PolarHBondContact O-N 3.44Å; K3-K83 HydrophobicContact CB-CD 4.44Å; K3-K83 HydrophobicContact CD-CD 4.02Å
4V96.7Very high96.9Very high1 Ų188.5 Ų88.51%0.00640%0.404CS..Hα-helixtrans-71.2-45.4178.6176.90000110.3M1 R2 C7 Q8 Q66 V67 L70 K83 A86 M90M1-V4 PolarHBondContact O-N 3.33Å; R2-V4 VanDerWaalsContact C-N 3.31Å; R2-V4 PolarHBondContact O-N 2.87Å; V4-C7 PolarHBondContact O-N 3.28Å; V4-Q8 WeakPolarHBondContact O-CB 3.32Å; V4-Q8 PolarHBondContact O-N 2.88Å; V4-Q66 HydrophobicContact CG1-CB 4.27Å; V4-V67 HydrophobicContact CB-CG2 4.48Å; V4-V67 HydrophobicContact CG1-CG2 4.25Å; V4-L70 HydrophobicContact CG2-CD1 3.86Å; V4-K83 HydrophobicContact CG2-CG 4.3Å; V4-A86 HydrophobicContact CG1-CB 3.96Å; V4-A86 HydrophobicContact CG2-CB 3.85Å; V4-M90 HydrophobicContact CG1-CE 4.02Å
5K96.9Very high96.9Very high120 Ų12083.1 Ų83.152%0.52238%0.38SS..Hα-helixtrans-62.5-43176.6-78.5-159.9172.4-169.60113M1 R2 C7 Q8 Q9 V67M1-K5 PolarHBondContact O-N 3.34Å; M1-K5 VanDerWaalsContact O-N 3.1Å; R2-K5 PolarHBondContact O-N 3.45Å; K5-C7 VanDerWaalsContact C-N 3.33Å; K5-C7 PolarHBondContact O-N 3.37Å; K5-Q8 PolarHBondContact O-N 2.92Å; K5-Q9 WeakPolarHBondContact O-CB 3.4Å; K5-Q9 PolarHBondContact O-N 3.1Å; K5-V67 HydrophobicContact CG-CG2 3.85Å
6T97.5Very high96.9Very high83 Ų8382.1 Ų82.151%0.50938%0.376SS..Hα-helixtrans-62.5-41.7177.8-57.70000111.2R2 Q9 F10R2-T6 WeakPolarHBondContact O-CB 3.46Å; R2-T6 PolarHBondContact O-N 2.93Å; R2-T6 PolarHBondContact O-OG1 2.94Å; T6-Q9 PolarHBondContact O-N 3.08Å; T6-F10 WeakPolarHBondContact O-CB 3.48Å; T6-F10 PolarHBondContact O-N 2.97Å
7C96.9Very high96.9Very high29 Ų2980.6 Ų80.620%0.19637%0.374CS..Hα-helixtrans-68.1-41.1176.6-167.40000112.5K3 V4 K5 F10 Y11 L87 M90K3-C7 WeakPolarHBondContact O-CB 3.43Å; K3-C7 PolarHBondContact O-N 3.44Å; V4-C7 PolarHBondContact O-N 3.28Å; K5-C7 VanDerWaalsContact C-N 3.33Å; K5-C7 PolarHBondContact O-N 3.37Å; C7-F10 PolarHBondContact O-N 3.16Å; C7-Y11 VanDerWaalsContact O-CD2 3.27Å; C7-Y11 WeakPolarHBondContact O-CD2 3.4Å; C7-Y11 PolarHBondContact O-N 3.18Å; C7-Y11 VanDerWaalsContact O-N 3.14Å; C7-Y11 WeakPolarHBondContact SG-CE2 3.27Å; C7-L87 HydrophobicContact CB-CD2 3.42Å; C7-L87 VanDerWaalsContact CB-CD2 3.42Å; C7-L87 WeakPolarHBondContact SG-CD2 3.44Å; C7-M90 HydrophobicContact CB-SD 4.33Å
8Q97Very high96.8Very high29 Ų2978.6 Ų78.614%0.13637%0.366CS..Hα-helixtrans-57.2-51.5173.5-178.4-139.9-30.200110.5V4 K5 F10 Y11 H12 I59 D60 M90V4-Q8 WeakPolarHBondContact O-CB 3.32Å; V4-Q8 PolarHBondContact O-N 2.88Å; K5-Q8 PolarHBondContact O-N 2.92Å; Q8-F10 VanDerWaalsContact C-N 3.34Å; Q8-F10 PolarHBondContact O-N 3.24Å; Q8-Y11 PolarHBondContact O-N 2.95Å; Q8-H12 WeakPolarHBondContact O-CB 3.37Å; Q8-H12 PolarHBondContact O-N 2.84Å; Q8-I59 HydrophobicContact CG-CG2 4.3Å; Q8-D60 PolarHBondContact NE2-OD1 3.46Å; Q8-M90 HydrophobicContact CB-CE 3.79Å; Q8-M90 HydrophobicContact CG-CE 4.34Å
9Q97.3Very high96.8Very high91 Ų9176 Ų7643%0.42536%0.355SS..Hα-helixtrans-59-44.6-179.9-169.865.344.400111.5K5 T6 Y11 H12 D13K5-Q9 WeakPolarHBondContact O-CB 3.4Å; K5-Q9 PolarHBondContact O-N 3.1Å; T6-Q9 PolarHBondContact O-N 3.08Å; Q9-Y11 PolarHBondContact O-N 3.39Å; Q9-H12 WeakPolarHBondContact O-CB 3.47Å; Q9-H12 PolarHBondContact O-N 3.06Å; Q9-D13 PolarHBondContact NE2-OD1 2.88Å; Q9-D13 WeakPolarHBondContact O-CB 3.49Å; Q9-D13 PolarHBondContact O-N 3.05Å
10F97.8Very high96.7Very high122 Ų12276.8 Ų76.854%0.53537%0.365SS..Hα-helixtrans-59.6-45.1178.8-179.2-96.2000112.9T6 C7 Q8 K14T6-F10 WeakPolarHBondContact O-CB 3.48Å; T6-F10 PolarHBondContact O-N 2.97Å; C7-F10 PolarHBondContact O-N 3.16Å; Q8-F10 VanDerWaalsContact C-N 3.34Å; Q8-F10 PolarHBondContact O-N 3.24Å; F10-K14 HydrophobicContact CE1-CG 4.31Å; F10-K14 HydrophobicContact CE2-CG 4.48Å; F10-K14 HydrophobicContact CZ-CG 4.21Å; F10-K14 WeakPolarHBondContact O-CG 3.41Å; F10-K14 PolarHBondContact O-N 3.2Å; F10-K14 VanDerWaalsContact O-N 3.14Å
11Y97.2Very high96.5Very high48 Ų4879.9 Ų79.919%0.18838%0.379CS..Hα-helixtrans-66.7-41.4175.4-77.8-54.3000112.1C7 Q8 Q9 K14 L15 I59 M90 I94C7-Y11 VanDerWaalsContact O-CD2 3.27Å; C7-Y11 WeakPolarHBondContact O-CD2 3.4Å; C7-Y11 PolarHBondContact O-N 3.18Å; C7-Y11 VanDerWaalsContact O-N 3.14Å; C7-Y11 WeakPolarHBondContact SG-CE2 3.27Å; Q8-Y11 PolarHBondContact O-N 2.95Å; Q9-Y11 PolarHBondContact O-N 3.39Å; Y11-K14 PolarHBondContact O-N 3.25Å; Y11-L15 WeakPolarHBondContact O-CB 3.49Å; Y11-L15 VanDerWaalsContact O-CG 3.31Å; Y11-L15 WeakPolarHBondContact O-CG 3.44Å; Y11-L15 PolarHBondContact O-N 3.39Å; Y11-I59 HydrophobicContact CD2-CD1 4.48Å; Y11-I59 HydrophobicContact CD2-CG2 4.35Å; Y11-I59 HydrophobicContact CG-CD1 4.15Å; Y11-M90 HydrophobicContact CD2-CB 4.15Å; Y11-M90 HydrophobicContact CD2-SD 4.45Å; Y11-M90 HydrophobicContact CE2-CB 3.87Å; Y11-I94 HydrophobicContact CD1-CD1 4.07Å; Y11-I94 HydrophobicContact CD1-CG1 3.9Å; Y11-I94 HydrophobicContact CE1-CD1 4.32Å; Y11-I94 HydrophobicContact CE1-CG1 3.69Å
12H97.5Very high96.6Very high49 Ų4975.9 Ų75.923%0.22736%0.359CS..Hα-helixtrans-57.2-52.3176.3178.194.5000110.7Q8 Q9 K14 L15 Q16 D60Q8-H12 WeakPolarHBondContact O-CB 3.37Å; Q8-H12 PolarHBondContact O-N 2.84Å; Q9-H12 WeakPolarHBondContact O-CB 3.47Å; Q9-H12 PolarHBondContact O-N 3.06Å; H12-K14 PolarHBondContact O-N 3.22Å; H12-L15 PolarHBondContact O-N 2.9Å; H12-Q16 WeakPolarHBondContact O-CB 3.48Å; H12-Q16 PolarHBondContact O-N 3.14Å; H12-D60 IonicContact CE1-OD2 2.74Å; H12-D60 IonicContact CG-OD1 3.56Å; H12-D60 IonicContact CG-OD2 2.72Å; H12-D60 IonicContact ND1-OD1 3.99Å; H12-D60 PolarHBondContact ND1-OD1 3.36Å; H12-D60 IonicContact ND1-OD2 3.39Å; H12-D60 PolarHBondContact ND1-OD2 3.22Å
13D97.9Very high96.4Very high76 Ų7667.5 Ų67.541%0.40633%0.332SS..Hα-helixtrans-59.6-48.2-178.4-64.6-18.3000111Q9 Q16 T17Q9-D13 PolarHBondContact NE2-OD1 2.88Å; Q9-D13 WeakPolarHBondContact O-CB 3.49Å; Q9-D13 PolarHBondContact O-N 3.05Å; D13-Q16 PolarHBondContact O-N 3.08Å; D13-T17 PolarHBondContact O-N 2.95Å; D13-T17 PolarHBondContact O-OG1 3.25Å
14K97Very high96.2Very high124 Ų12467 Ų6754%0.53933%0.33SS..Hα-helixtrans-65.3-44.1-179.3-73.3-63-174.9-175.40113.4F10 Y11 H12 Q16 T17 I18F10-K14 HydrophobicContact CE1-CG 4.31Å; F10-K14 HydrophobicContact CE2-CG 4.48Å; F10-K14 HydrophobicContact CZ-CG 4.21Å; F10-K14 WeakPolarHBondContact O-CG 3.41Å; F10-K14 PolarHBondContact O-N 3.2Å; F10-K14 VanDerWaalsContact O-N 3.14Å; Y11-K14 PolarHBondContact O-N 3.25Å; H12-K14 PolarHBondContact O-N 3.22Å; K14-Q16 VanDerWaalsContact C-N 3.32Å; K14-T17 PolarHBondContact O-N 3.42Å; K14-I18 WeakPolarHBondContact O-CG1 3.3Å; K14-I18 PolarHBondContact O-N 2.61Å
15L97Very high95.9Very high8 Ų867.7 Ų67.74%0.04233%0.334CS..Hα-helixtrans-67.3-37.1176.5-69.7174.7000111.2Y11 H12 I18 L19 L52 K56 I59 I94Y11-L15 WeakPolarHBondContact O-CB 3.49Å; Y11-L15 VanDerWaalsContact O-CG 3.31Å; Y11-L15 WeakPolarHBondContact O-CG 3.44Å; Y11-L15 PolarHBondContact O-N 3.39Å; H12-L15 PolarHBondContact O-N 2.9Å; L15-I18 PolarHBondContact O-N 3.44Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.29Å; L15-L52 HydrophobicContact CD2-CD2 4.09Å; L15-K56 HydrophobicContact CB-CB 4.16Å; L15-K56 HydrophobicContact CB-CG 4.28Å; L15-K56 HydrophobicContact CD1-CB 3.92Å; L15-I59 HydrophobicContact CD1-CD1 3.95Å; L15-I94 HydrophobicContact CD1-CD1 4.04Å; L15-I94 HydrophobicContact CD2-CD1 4.41Å
16Q97Very high95.5Very high67 Ų6768.2 Ų68.231%0.31334%0.338SS..Hα-helixtrans-64.1-44.5176.9-174.862.828.500111.2H12 D13 K14 I18 L19 T20H12-Q16 WeakPolarHBondContact O-CB 3.48Å; H12-Q16 PolarHBondContact O-N 3.14Å; D13-Q16 PolarHBondContact O-N 3.08Å; K14-Q16 VanDerWaalsContact C-N 3.32Å; Q16-I18 PolarHBondContact O-N 2.96Å; Q16-L19 PolarHBondContact O-N 3.35Å; Q16-T20 HydrophobicContact CG-CG2 4.45Å; Q16-T20 WeakPolarHBondContact O-CG2 3.46Å; Q16-T20 PolarHBondContact O-N 3.14Å; Q16-T20 PolarHBondContact O-OG1 3.47Å
17T96.9Very high95.2Very high56 Ų5670.4 Ų70.434%0.34435%0.347SS..Hα-helixtrans-54.8-50.1174.8-60.50000111.5D13 K14 L19 T20 E21D13-T17 PolarHBondContact O-N 2.95Å; D13-T17 PolarHBondContact O-OG1 3.25Å; K14-T17 PolarHBondContact O-N 3.42Å; T17-L19 VanDerWaalsContact C-N 3.35Å; T17-L19 PolarHBondContact O-N 3.38Å; T17-T20 WeakPolarHBondContact CA-OG1 3.5Å; T17-T20 PolarHBondContact O-N 2.86Å; T17-T20 VanDerWaalsContact O-N 3.15Å; T17-T20 PolarHBondContact O-OG1 2.98Å; T17-E21 VanDerWaalsContact CG2-CD 3.48Å; T17-E21 HydrophobicContact CG2-CG 4.15Å; T17-E21 WeakPolarHBondContact CG2-OE1 3.44Å; T17-E21 WeakPolarHBondContact O-CB 3.39Å; T17-E21 WeakPolarHBondContact O-CG 3.39Å; T17-E21 PolarHBondContact O-N 2.88Å
18I96.2Very high95Very high45 Ų4571.7 Ų71.723%0.23135%0.351CS..Hα-helixtrans-57.2-49.2177.8-65.4168.5000110.2K14 L15 Q16 T20 E21 F22 L52 L101K14-I18 WeakPolarHBondContact O-CG1 3.3Å; K14-I18 PolarHBondContact O-N 2.61Å; L15-I18 PolarHBondContact O-N 3.44Å; Q16-I18 PolarHBondContact O-N 2.96Å; I18-T20 PolarHBondContact O-N 3.2Å; I18-E21 PolarHBondContact O-N 3.39Å; I18-F22 HydrophobicContact CG2-CD2 3.8Å; I18-F22 HydrophobicContact CG2-CE2 3.87Å; I18-F22 VanDerWaalsContact O-CD2 3.32Å; I18-F22 WeakPolarHBondContact O-CD2 3.46Å; I18-F22 PolarHBondContact O-N 2.98Å; I18-L52 HydrophobicContact CG2-CD1 3.75Å; I18-L101 HydrophobicContact CD1-CD2 4.26Å
19L95.2Very high94.8Very high29 Ų2973.5 Ų73.515%0.15236%0.36CS..Hα-helixtrans-64.2-25.9-179.1-69169.3000114.1L15 Q16 T17 L49 L52 N53 K56L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.29Å; Q16-L19 PolarHBondContact O-N 3.35Å; T17-L19 VanDerWaalsContact C-N 3.35Å; T17-L19 PolarHBondContact O-N 3.38Å; L19-L49 HydrophobicContact CD2-CB 4.32Å; L19-L49 HydrophobicContact CD2-CD2 4.28Å; L19-L49 VanDerWaalsContact CD2-O 3.27Å; L19-L49 WeakPolarHBondContact CD2-O 3.34Å; L19-L52 HydrophobicContact CD2-CB 4.21Å; L19-N53 HydrophobicContact CD1-CB 3.87Å; L19-N53 HydrophobicContact CD2-CB 4.13Å; L19-K56 HydrophobicContact CD1-CD 4.21Å
20T94.7Very high94.6Very high91 Ų9172.5 Ų72.556%0.55836%0.361SS*.Hα-helixtrans-90-33.5-179.850.90000113.8Q16 T17 I18Q16-T20 HydrophobicContact CG-CG2 4.45Å; Q16-T20 WeakPolarHBondContact O-CG2 3.46Å; Q16-T20 PolarHBondContact O-N 3.14Å; Q16-T20 PolarHBondContact O-OG1 3.47Å; T17-T20 WeakPolarHBondContact CA-OG1 3.5Å; T17-T20 PolarHBondContact O-N 2.86Å; T17-T20 VanDerWaalsContact O-N 3.15Å; T17-T20 PolarHBondContact O-OG1 2.98Å; I18-T20 PolarHBondContact O-N 3.2Å
21E94.1Very high94.5Very high142 Ų14266.7 Ų66.766%0.66434%0.335SS*.Hα-helixtrans-77.5-32.9-178.3-73.4178.5175.600112.1T17 I18T17-E21 VanDerWaalsContact CG2-CD 3.48Å; T17-E21 HydrophobicContact CG2-CG 4.15Å; T17-E21 WeakPolarHBondContact CG2-OE1 3.44Å; T17-E21 WeakPolarHBondContact O-CB 3.39Å; T17-E21 WeakPolarHBondContact O-CG 3.39Å; T17-E21 PolarHBondContact O-N 2.88Å; I18-E21 PolarHBondContact O-N 3.39Å
22F94.2Very high94.3Very high23 Ų2367.3 Ų67.310%0.10134%0.338CS..SBendtrans-69132.4177.6-89.7-79.4000111.7I18 K24 Y45 L49 L104 T107 R108I18-F22 HydrophobicContact CG2-CD2 3.8Å; I18-F22 HydrophobicContact CG2-CE2 3.87Å; I18-F22 VanDerWaalsContact O-CD2 3.32Å; I18-F22 WeakPolarHBondContact O-CD2 3.46Å; I18-F22 PolarHBondContact O-N 2.98Å; F22-K24 PolarHBondContact O-N 3.49Å; F22-Y45 WeakPolarHBondContact CB-OH 3.41Å; F22-Y45 AromaticContact CD1-CE2 3.78Å; F22-Y45 HydrophobicContact CD1-CE2 3.78Å; F22-Y45 AromaticContact CD1-CZ 3.97Å; F22-Y45 WeakPolarHBondContact CD1-OH 3.32Å; F22-Y45 HydrophobicContact CE1-CE2 4.23Å; F22-L49 HydrophobicContact CB-CD1 4.17Å; F22-L49 HydrophobicContact CB-CD2 4.01Å; F22-L49 HydrophobicContact CD2-CD2 4.18Å; F22-L49 HydrophobicContact CG-CD2 4.14Å; F22-L104 HydrophobicContact CD1-CD2 4.49Å; F22-L104 HydrophobicContact CE1-CD2 4.13Å; F22-L104 HydrophobicContact CE2-CB 4.23Å; F22-L104 HydrophobicContact CE2-CD2 4.38Å; F22-L104 HydrophobicContact CZ-CB 3.93Å; F22-L104 HydrophobicContact CZ-CD2 4.06Å; F22-L104 WeakPolarHBondContact CZ-O 3.33Å; F22-T107 HydrophobicContact CE1-CG2 4.43Å; F22-R108 HydrophobicContact CE1-CB 4.3Å; F22-R108 HydrophobicContact CZ-CB 3.89Å; F22-R108 HydrophobicContact CZ-CG 4.36Å
23P93.2Very high94.1Very high37 Ų3765.6 Ų65.624%0.2433%0.332CS..  trans-61.1132.9178.813.5-22000112.2V25 I28 I36 Y45 M111P23-V25 PolarHBondContact O-N 3.22Å; P23-I28 HydrophobicContact CB-CD1 3.08Å; P23-I28 HydrophobicContact CG-CD1 4.42Å; P23-I36 HydrophobicContact CG-CD1 4.47Å; P23-Y45 WeakPolarHBondContact CD-OH 3.44Å; P23-Y45 WeakPolarHBondContact O-CE1 3.4Å; P23-Y45 PolarHBondContact O-OH 2.93Å; P23-M111 HydrophobicContact CG-CE 3.32Å; P23-M111 HydrophobicContact CG-SD 4.24Å
24K91.2Very high93.8Very high138 Ų13864.9 Ų64.960%0.633%0.328SS*.  trans-81.5109.2172.4-66.5-177.8-178178.40109.8F22 E26 N27 I28F22-K24 PolarHBondContact O-N 3.49Å; K24-E26 PolarHBondContact O-N 3.35Å; K24-N27 HydrophobicContact CB-CB 4.36Å; K24-N27 PolarHBondContact O-N 2.9Å; K24-I28 WeakPolarHBondContact O-CD1 3.43Å; K24-I28 WeakPolarHBondContact O-CG1 3.45Å; K24-I28 PolarHBondContact O-N 2.95Å
25V90.4Very high93.6Very high15 Ų1559.5 Ų59.59%0.09131%0.306CS..THydrogen-bonded Turntrans-53.1-32.8-177.1-172.80000113.1P23 A33 I36 K42 Y45P23-V25 PolarHBondContact O-N 3.22Å; V25-A33 HydrophobicContact CG1-CB 3.86Å; V25-A33 WeakPolarHBondContact O-CB 3.39Å; V25-I36 HydrophobicContact CG2-CD1 4.42Å; V25-I36 HydrophobicContact CG2-CG2 3.88Å; V25-K42 HydrophobicContact CG1-CD 4.1Å; V25-K42 HydrophobicContact CG1-CG 4.13Å; V25-Y45 HydrophobicContact CG2-CD1 3.61Å; V25-Y45 HydrophobicContact CG2-CE1 3.57Å
26E89Confident93.4Very high130 Ų13059.6 Ų59.661%0.60731%0.306SS*.THydrogen-bonded Turntrans-76.4-23.1-177.8-66.2172.4-173.200114.2K24 K46K24-E26 PolarHBondContact O-N 3.35Å; E26-K46 IonicContact OE1-NZ 2.7Å; E26-K46 PolarHBondContact OE1-NZ 3.26Å
27N92.3Very high93.2Very high129 Ų12959.9 Ų59.969%0.6931%0.309SS*.THydrogen-bonded Turntrans-104.3-2.3-174.3-69.90.5000113.4K24K24-N27 HydrophobicContact CB-CB 4.36Å; K24-N27 PolarHBondContact O-N 2.9Å
28I92Very high92.9Very high56 Ų5658.4 Ų58.429%0.28730%0.301SS..SBendtrans-97.5158.9-175.3-68.3166.9000109.2P23 K24 Y32P23-I28 HydrophobicContact CB-CD1 3.08Å; P23-I28 HydrophobicContact CG-CD1 4.42Å; K24-I28 WeakPolarHBondContact O-CD1 3.43Å; K24-I28 WeakPolarHBondContact O-CG1 3.45Å; K24-I28 PolarHBondContact O-N 2.95Å; I28-Y32 HydrophobicContact CG2-CD2 4.29Å; I28-Y32 HydrophobicContact CG2-CG 4.27Å
29H93.5Very high92.6Very high67 Ų6758.7 Ų58.731%0.3130%0.302SS..  trans-49.7136174.8-171.7-84.1000111.6F31 Y32 A33 P119H29-F31 VanDerWaalsContact ND1-CB 3.29Å; H29-F31 WeakPolarHBondContact ND1-CB 3.38Å; H29-F31 PolarHBondContact ND1-N 3.42Å; H29-F31 VanDerWaalsContact ND1-N 3.16Å; H29-F31 PolarHBondContact O-N 2.84Å; H29-Y32 HydrophobicContact CB-CD2 4.41Å; H29-Y32 PolarHBondContact O-N 3.02Å; H29-A33 PolarHBondContact O-N 2.82Å; H29-A33 VanDerWaalsContact O-N 3.17Å; H29-P119 HydrophobicContact CB-CG 4.44Å
30P93Very high92.4Very high70 Ų7058.5 Ų58.546%0.45530%0.3SS..Hα-helixtrans-48.7-39.3-176.9-31.535.9000114.7Y32 A33 D34P30-Y32 PolarHBondContact O-N 3.4Å; P30-A33 PolarHBondContact O-N 3.24Å; P30-D34 PolarHBondContact O-N 2.68Å
31F94Very high92.2Very high0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-49.4-53.3173.7173.7-113.9000113.3H29 L35 I117 L158 A196 H199 L200H29-F31 VanDerWaalsContact ND1-CB 3.29Å; H29-F31 WeakPolarHBondContact ND1-CB 3.38Å; H29-F31 PolarHBondContact ND1-N 3.42Å; H29-F31 VanDerWaalsContact ND1-N 3.16Å; H29-F31 PolarHBondContact O-N 2.84Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.09Å; F31-I117 HydrophobicContact CE1-CB 3.98Å; F31-I117 HydrophobicContact CE1-CD1 3.94Å; F31-I117 HydrophobicContact CE1-CG2 4.05Å; F31-I117 HydrophobicContact CZ-CD1 3.73Å; F31-I117 HydrophobicContact CZ-CG2 4.44Å; F31-L158 HydrophobicContact CE2-CD1 4.46Å; F31-L158 HydrophobicContact CZ-CD1 4.11Å; F31-A196 HydrophobicContact CE2-CB 4.18Å; F31-H199 HydrophobicContact CB-CB 3.73Å; F31-H199 HydrophobicContact CD2-CB 4.08Å; F31-H199 HydrophobicContact CG-CB 4.38Å; F31-L200 HydrophobicContact CD1-CD2 4.16Å; F31-L200 HydrophobicContact CD2-CD1 4.49Å; F31-L200 HydrophobicContact CD2-CD2 4.01Å; F31-L200 HydrophobicContact CD2-CG 4.01Å; F31-L200 HydrophobicContact CE1-CD2 4.39Å; F31-L200 HydrophobicContact CE2-CD1 4.05Å; F31-L200 HydrophobicContact CE2-CD2 4.25Å; F31-L200 HydrophobicContact CE2-CG 4.08Å; F31-L200 HydrophobicContact CG-CD2 3.96Å; F31-L200 HydrophobicContact CG-CG 4.47Å; F31-L200 HydrophobicContact CZ-CD1 4.29Å; F31-L200 HydrophobicContact CZ-CD2 4.43Å
32Y93.9Very high92.1Very high62 Ų6253.8 Ų53.824%0.24328%0.276CS..Hα-helixtrans-75-31.1-178.4-75.3-69.7000112.1I28 H29 P30 D34 L35 I36 I117I28-Y32 HydrophobicContact CG2-CD2 4.29Å; I28-Y32 HydrophobicContact CG2-CG 4.27Å; H29-Y32 HydrophobicContact CB-CD2 4.41Å; H29-Y32 PolarHBondContact O-N 3.02Å; P30-Y32 PolarHBondContact O-N 3.4Å; Y32-D34 VanDerWaalsContact C-N 3.34Å; Y32-L35 HydrophobicContact CD1-CD2 4.2Å; Y32-L35 PolarHBondContact O-N 3.44Å; Y32-I36 WeakPolarHBondContact O-CB 3.39Å; Y32-I36 VanDerWaalsContact O-CG1 3.26Å; Y32-I36 WeakPolarHBondContact O-CG1 3.36Å; Y32-I36 PolarHBondContact O-N 3.02Å; Y32-I117 PolarHBondContact OH-N 3.02Å; Y32-I117 PolarHBondContact OH-O 3Å
33A92.8Very high92Very high12 Ų1258 Ų5810%0.09930%0.3CS..Hα-helixtrans-62.3-44.1175.300000111.3V25 H29 P30 I36 N37V25-A33 HydrophobicContact CG1-CB 3.86Å; V25-A33 WeakPolarHBondContact O-CB 3.39Å; H29-A33 PolarHBondContact O-N 2.82Å; H29-A33 VanDerWaalsContact O-N 3.17Å; P30-A33 PolarHBondContact O-N 3.24Å; A33-I36 PolarHBondContact O-N 3.43Å; A33-N37 PolarHBondContact O-N 2.97Å
34D92.6Very high92Very high62 Ų6260.2 Ų60.233%0.33231%0.307SS..Hα-helixtrans-74.7-34.1177.4-76.53.3000112.1P30 Y32 I36 N37 V38 T195 H199P30-D34 PolarHBondContact O-N 2.68Å; Y32-D34 VanDerWaalsContact C-N 3.34Å; D34-I36 VanDerWaalsContact C-N 3.32Å; D34-I36 PolarHBondContact O-N 2.88Å; D34-N37 WeakPolarHBondContact O-CB 3.38Å; D34-N37 PolarHBondContact O-N 3.5Å; D34-N37 VanDerWaalsContact O-N 3.13Å; D34-V38 WeakPolarHBondContact O-CG2 3.46Å; D34-V38 PolarHBondContact O-N 3.32Å; D34-T195 HydrophobicContact CB-CG2 4.06Å; D34-H199 IonicContact OD2-CD2 2.85Å; D34-H199 IonicContact OD2-CE1 3.99Å; D34-H199 PolarHBondContact OD2-CE1 3.33Å; D34-H199 IonicContact OD2-NE2 3.49Å; D34-H199 PolarHBondContact OD2-NE2 3.14Å
35L92.4Very high92.2Very high11 Ų1153.7 Ų53.76%0.05828%0.279CS..Hα-helixtrans-58.6-44.9170.8-167.575.3000111.4F31 Y32 N37 V38 L39 L114 L158 L192F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.09Å; Y32-L35 HydrophobicContact CD1-CD2 4.2Å; Y32-L35 PolarHBondContact O-N 3.44Å; L35-N37 VanDerWaalsContact C-N 3.31Å; L35-V38 PolarHBondContact O-N 3.4Å; L35-L39 HydrophobicContact CG-CD1 4.08Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 WeakPolarHBondContact O-CG 3.16Å; L35-L39 PolarHBondContact O-N 2.88Å; L35-L114 HydrophobicContact CD2-CD1 4.28Å; L35-L158 HydrophobicContact CD1-CD1 4.32Å; L35-L192 HydrophobicContact CD1-CD2 3.46Å; L35-L192 VanDerWaalsContact CD1-CD2 3.46Å; L35-L192 HydrophobicContact CG-CD2 4.49Å
36I92Very high92.4Very high9 Ų958.2 Ų58.25%0.04630%0.297CS..Hα-helixtrans-64.1-39174.7-72.4167.2000110.7P23 V25 Y32 A33 D34 Y40P23-I36 HydrophobicContact CG-CD1 4.47Å; V25-I36 HydrophobicContact CG2-CD1 4.42Å; V25-I36 HydrophobicContact CG2-CG2 3.88Å; Y32-I36 WeakPolarHBondContact O-CB 3.39Å; Y32-I36 VanDerWaalsContact O-CG1 3.26Å; Y32-I36 WeakPolarHBondContact O-CG1 3.36Å; Y32-I36 PolarHBondContact O-N 3.02Å; A33-I36 PolarHBondContact O-N 3.43Å; D34-I36 VanDerWaalsContact C-N 3.32Å; D34-I36 PolarHBondContact O-N 2.88Å; I36-Y40 HydrophobicContact CB-CD2 4.42Å; I36-Y40 HydrophobicContact CG1-CD2 4.44Å; I36-Y40 HydrophobicContact CG2-CD2 4.15Å; I36-Y40 PolarHBondContact O-N 2.87Å
37N92.6Very high92.7Very high73 Ų7356.5 Ų56.539%0.3929%0.291SS..Hα-helixtrans-61.8-45.5177.5-170.642.6000111.9A33 D34 L35 S41 K42A33-N37 PolarHBondContact O-N 2.97Å; D34-N37 WeakPolarHBondContact O-CB 3.38Å; D34-N37 PolarHBondContact O-N 3.5Å; D34-N37 VanDerWaalsContact O-N 3.13Å; L35-N37 VanDerWaalsContact C-N 3.31Å; N37-S41 VanDerWaalsContact O-CA 3.31Å; N37-S41 WeakPolarHBondContact O-CA 3.06Å; N37-S41 PolarHBondContact O-N 2.85Å; N37-S41 VanDerWaalsContact O-N 3.16Å; N37-K42 HydrophobicContact CB-CB 4.17Å; N37-K42 WeakPolarHBondContact OD1-CB 3.31Å; N37-K42 PolarHBondContact OD1-N 2.84Å
38V91.2Very high92.8Very high26 Ų2650.4 Ų50.416%0.15826%0.259CS..Hα-helixtrans-67.9-41.6179.1173.40000111.9D34 L35 T188 M191 L192 T195D34-V38 WeakPolarHBondContact O-CG2 3.46Å; D34-V38 PolarHBondContact O-N 3.32Å; L35-V38 PolarHBondContact O-N 3.4Å; V38-T188 WeakPolarHBondContact CG1-O 3.22Å; V38-M191 HydrophobicContact CG1-CB 3.74Å; V38-M191 HydrophobicContact CG2-CB 4.01Å; V38-L192 HydrophobicContact CB-CD2 4.35Å; V38-L192 HydrophobicContact CG1-CD2 3.85Å; V38-L192 HydrophobicContact CG1-CG 4.27Å; V38-T195 HydrophobicContact CG2-CG2 3.86Å
39L91.2Very high93Very high51 Ų5149 Ų4927%0.26725%0.252SS..Hα-helixtrans-80.4-40.8-174.5-70.3175.9000114.1L35 L114 L192L35-L39 HydrophobicContact CG-CD1 4.08Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 WeakPolarHBondContact O-CG 3.16Å; L35-L39 PolarHBondContact O-N 2.88Å; L39-L114 HydrophobicContact CD1-CD1 4.11Å; L39-L114 HydrophobicContact CD1-CD2 4Å; L39-L192 HydrophobicContact CD1-CD2 4.49Å; L39-L192 HydrophobicContact CD2-CD1 4.14Å; L39-L192 HydrophobicContact CD2-CD2 3.83Å; L39-L192 HydrophobicContact CG-CD2 3.95Å
40Y89.9Confident93.1Very high24 Ų2448.8 Ų48.89%0.09426%0.258CS..Hα-helixtrans-122.6-2.7-166.9-50.5-64.1000114.4I36 T107 H110 M111I36-Y40 HydrophobicContact CB-CD2 4.42Å; I36-Y40 HydrophobicContact CG1-CD2 4.44Å; I36-Y40 HydrophobicContact CG2-CD2 4.15Å; I36-Y40 PolarHBondContact O-N 2.87Å; Y40-T107 HydrophobicContact CD1-CG2 3.84Å; Y40-T107 HydrophobicContact CD2-CG2 3.99Å; Y40-T107 HydrophobicContact CE1-CG2 3.89Å; Y40-T107 HydrophobicContact CE2-CG2 4.02Å; Y40-T107 HydrophobicContact CG-CG2 3.89Å; Y40-H110 HydrophobicContact CE1-CB 4.07Å; Y40-H110 AromaticContact CE1-ND1 3.72Å; Y40-H110 AromaticContact CZ-ND1 3.56Å; Y40-H110 WeakPolarHBondContact OH-CB 3.28Å; Y40-H110 PolarHBondContact OH-ND1 2.85Å; Y40-M111 HydrophobicContact CE2-CG 3.67Å; Y40-M111 HydrophobicContact CE2-SD 4.29Å; Y40-M111 WeakPolarHBondContact OH-CG 3.31Å; Y40-M111 PolarHBondContact OH-N 2.99Å
41S91Very high93.3Very high56 Ų5649.1 Ų49.139%0.39225%0.253SS..  trans58.4115.5-163.7178.50000112.2N37 D43 H44 Y45N37-S41 VanDerWaalsContact O-CA 3.31Å; N37-S41 WeakPolarHBondContact O-CA 3.06Å; N37-S41 PolarHBondContact O-N 2.85Å; N37-S41 VanDerWaalsContact O-N 3.16Å; S41-D43 PolarHBondContact O-N 2.84Å; S41-H44 PolarHBondContact O-N 3.42Å; S41-Y45 WeakPolarHBondContact O-CB 3.36Å; S41-Y45 PolarHBondContact O-N 3.46Å
42K91.2Very high93.4Very high78 Ų7849.2 Ų49.234%0.33925%0.254SS..Hα-helixtrans-55.2-37.9179.7176.4177.4176.8-178.30112.3V25 N37 K46V25-K42 HydrophobicContact CG1-CD 4.1Å; V25-K42 HydrophobicContact CG1-CG 4.13Å; N37-K42 HydrophobicContact CB-CB 4.17Å; N37-K42 WeakPolarHBondContact OD1-CB 3.31Å; N37-K42 PolarHBondContact OD1-N 2.84Å; K42-K46 VanDerWaalsContact O-CB 3.26Å; K42-K46 WeakPolarHBondContact O-CB 3.27Å; K42-K46 PolarHBondContact O-N 3.15Å
43D92.9Very high93.5Very high112 Ų11249.2 Ų49.260%0.59926%0.258SS*.Hα-helixtrans-69.8-46.3-177-66.5-30.3000111.6S41 Y45 K46 L47S41-D43 PolarHBondContact O-N 2.84Å; D43-Y45 PolarHBondContact O-N 3.11Å; D43-K46 PolarHBondContact O-N 3.02Å; D43-L47 VanDerWaalsContact O-CB 3.27Å; D43-L47 WeakPolarHBondContact O-CB 3.33Å; D43-L47 WeakPolarHBondContact O-CG 3.39Å; D43-L47 PolarHBondContact O-N 3.39Å
44H93.7Very high93.8Very high83 Ų8352 Ų5238%0.38427%0.274SS..Hα-helixtrans-65.6-42.1179-164.857.2000111.5S41 L47 A48 F103S41-H44 PolarHBondContact O-N 3.42Å; H44-L47 PolarHBondContact O-N 3.33Å; H44-A48 WeakPolarHBondContact O-CB 3.41Å; H44-A48 PolarHBondContact O-N 3.48Å; H44-F103 AromaticContact CD2-CD1 3.82Å; H44-F103 AromaticContact CD2-CD2 3.54Å; H44-F103 AromaticContact CD2-CE1 3.69Å; H44-F103 AromaticContact CD2-CE2 3.4Å; H44-F103 WeakPolarHBondContact CD2-CE2 3.49Å; H44-F103 AromaticContact CD2-CG 3.75Å; H44-F103 AromaticContact CD2-CZ 3.47Å; H44-F103 VanDerWaalsContact CD2-CZ 3.47Å; H44-F103 WeakPolarHBondContact CD2-CZ 3.46Å; H44-F103 AromaticContact NE2-CD1 3.95Å; H44-F103 AromaticContact NE2-CD2 3.69Å; H44-F103 AromaticContact NE2-CG 3.63Å
45Y94.5Very high94Very high2 Ų249.1 Ų49.11%0.00826%0.259CS..Hα-helixtrans-58-49173.6-178.8-95.2000112.9F22 P23 V25 S41 D43 A48 L49 L104 T107F22-Y45 WeakPolarHBondContact CB-OH 3.41Å; F22-Y45 AromaticContact CD1-CE2 3.78Å; F22-Y45 HydrophobicContact CD1-CE2 3.78Å; F22-Y45 AromaticContact CD1-CZ 3.97Å; F22-Y45 WeakPolarHBondContact CD1-OH 3.32Å; F22-Y45 HydrophobicContact CE1-CE2 4.23Å; P23-Y45 WeakPolarHBondContact CD-OH 3.44Å; P23-Y45 WeakPolarHBondContact O-CE1 3.4Å; P23-Y45 PolarHBondContact O-OH 2.93Å; V25-Y45 HydrophobicContact CG2-CD1 3.61Å; V25-Y45 HydrophobicContact CG2-CE1 3.57Å; S41-Y45 WeakPolarHBondContact O-CB 3.36Å; S41-Y45 PolarHBondContact O-N 3.46Å; D43-Y45 PolarHBondContact O-N 3.11Å; Y45-A48 PolarHBondContact O-N 3.03Å; Y45-L49 HydrophobicContact CD1-CD1 4.06Å; Y45-L49 HydrophobicContact CE1-CD1 3.47Å; Y45-L49 VanDerWaalsContact CE1-CD1 3.47Å; Y45-L49 HydrophobicContact CE2-CD1 4.36Å; Y45-L49 PolarHBondContact O-N 3.26Å; Y45-L104 HydrophobicContact CD2-CD2 4.4Å; Y45-L104 HydrophobicContact CE2-CD2 4.36Å; Y45-T107 HydrophobicContact CD2-CG2 4.17Å; Y45-T107 HydrophobicContact CE2-CG2 4.13Å
46K94.6Very high94.2Very high110 Ų11049.6 Ų49.648%0.47826%0.26SS..Hα-helixtrans-66.8-40.6179.1-175.8172.7177.9171.50111.9E26 K42 D43 S50E26-K46 IonicContact OE1-NZ 2.7Å; E26-K46 PolarHBondContact OE1-NZ 3.26Å; K42-K46 VanDerWaalsContact O-CB 3.26Å; K42-K46 WeakPolarHBondContact O-CB 3.27Å; K42-K46 PolarHBondContact O-N 3.15Å; D43-K46 PolarHBondContact O-N 3.02Å; K46-S50 WeakPolarHBondContact O-CB 3.34Å; K46-S50 PolarHBondContact O-N 2.86Å
47L94.9Very high94.5Very high94 Ų9453.3 Ų53.349%0.49228%0.28SS..Hα-helixtrans-62.5-45.4176.9-75.3171.6000111.1D43 H44 L49 S50 Q51D43-L47 VanDerWaalsContact O-CB 3.27Å; D43-L47 WeakPolarHBondContact O-CB 3.33Å; D43-L47 WeakPolarHBondContact O-CG 3.39Å; D43-L47 PolarHBondContact O-N 3.39Å; H44-L47 PolarHBondContact O-N 3.33Å; L47-L49 PolarHBondContact O-N 2.96Å; L47-S50 PolarHBondContact O-N 3.2Å; L47-Q51 WeakPolarHBondContact O-CB 3.33Å; L47-Q51 VanDerWaalsContact O-CG 3.27Å; L47-Q51 WeakPolarHBondContact O-CG 3.33Å; L47-Q51 PolarHBondContact O-N 3.15Å
48A95.8Very high94.7Very high0 Ų054.3 Ų54.30%029%0.285CS..Hα-helixtrans-59-48.7178.100000111.9H44 Y45 S50 Q51 L52 N100 F103 L104H44-A48 WeakPolarHBondContact O-CB 3.41Å; H44-A48 PolarHBondContact O-N 3.48Å; Y45-A48 PolarHBondContact O-N 3.03Å; A48-S50 PolarHBondContact O-N 3Å; A48-Q51 PolarHBondContact O-N 3.28Å; A48-L52 PolarHBondContact O-N 3.39Å; A48-L52 VanDerWaalsContact O-N 3.08Å; A48-N100 HydrophobicContact CB-CB 4.13Å; A48-F103 HydrophobicContact CB-CD1 3.92Å; A48-F103 HydrophobicContact CB-CE1 4.27Å; A48-L104 HydrophobicContact CB-CD1 4.24Å; A48-L104 HydrophobicContact CB-CD2 4.24Å; A48-L104 HydrophobicContact CB-CG 4.1Å
49L95.8Very high95Very high27 Ų2753.1 Ų53.114%0.14128%0.278CS..Hα-helixtrans-64.6-39.9176.4-68.6176.5000112.4L19 F22 Y45 L47 Q51 L52 N53 L104L19-L49 HydrophobicContact CD2-CB 4.32Å; L19-L49 HydrophobicContact CD2-CD2 4.28Å; L19-L49 VanDerWaalsContact CD2-O 3.27Å; L19-L49 WeakPolarHBondContact CD2-O 3.34Å; F22-L49 HydrophobicContact CB-CD1 4.17Å; F22-L49 HydrophobicContact CB-CD2 4.01Å; F22-L49 HydrophobicContact CD2-CD2 4.18Å; F22-L49 HydrophobicContact CG-CD2 4.14Å; Y45-L49 HydrophobicContact CD1-CD1 4.06Å; Y45-L49 HydrophobicContact CE1-CD1 3.47Å; Y45-L49 VanDerWaalsContact CE1-CD1 3.47Å; Y45-L49 HydrophobicContact CE2-CD1 4.36Å; Y45-L49 PolarHBondContact O-N 3.26Å; L47-L49 PolarHBondContact O-N 2.96Å; L49-Q51 PolarHBondContact O-N 3.01Å; L49-L52 PolarHBondContact O-N 2.92Å; L49-N53 PolarHBondContact O-N 2.92Å; L49-L104 HydrophobicContact CD2-CD1 3.99Å; L49-L104 HydrophobicContact CD2-CD2 3.98Å; L49-L104 HydrophobicContact CG-CD2 4.21Å
50S95.3Very high95.3Very high63 Ų6351.8 Ų51.844%0.44127%0.271SS..Hα-helixtrans-63.5-40.3176.9-176.30000112.3K46 L47 A48 N53 T54K46-S50 WeakPolarHBondContact O-CB 3.34Å; K46-S50 PolarHBondContact O-N 2.86Å; L47-S50 PolarHBondContact O-N 3.2Å; A48-S50 PolarHBondContact O-N 3Å; S50-N53 PolarHBondContact O-N 2.84Å; S50-T54 PolarHBondContact O-N 3.09Å; S50-T54 PolarHBondContact O-OG1 2.88Å
51Q96.8Very high95.6Very high77 Ų7751.4 Ų51.436%0.3627%0.274SS..Hα-helixtrans-66.4-38.5175.9-70.3-175.833.900111.6L47 A48 L49 T54 A55 N100L47-Q51 WeakPolarHBondContact O-CB 3.33Å; L47-Q51 VanDerWaalsContact O-CG 3.27Å; L47-Q51 WeakPolarHBondContact O-CG 3.33Å; L47-Q51 PolarHBondContact O-N 3.15Å; A48-Q51 PolarHBondContact O-N 3.28Å; L49-Q51 PolarHBondContact O-N 3.01Å; Q51-T54 WeakPolarHBondContact O-CB 3.05Å; Q51-T54 PolarHBondContact O-N 3.16Å; Q51-A55 WeakPolarHBondContact O-CB 3.44Å; Q51-A55 PolarHBondContact O-N 3.31Å; Q51-N100 PolarHBondContact OE1-ND2 2.92Å
52L96.3Very high95.9Very high1 Ų149.3 Ų49.31%0.00526%0.259CS..Hα-helixtrans-64-39.5171.6-69.8-170.6000112.8L15 I18 L19 A48 L49 T54 A55 K56 Q97 L101 L104L15-L52 HydrophobicContact CD2-CD2 4.09Å; I18-L52 HydrophobicContact CG2-CD1 3.75Å; L19-L52 HydrophobicContact CD2-CB 4.21Å; A48-L52 PolarHBondContact O-N 3.39Å; A48-L52 VanDerWaalsContact O-N 3.08Å; L49-L52 PolarHBondContact O-N 2.92Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-A55 WeakPolarHBondContact O-CB 3.17Å; L52-A55 PolarHBondContact O-N 2.95Å; L52-K56 PolarHBondContact O-N 3.33Å; L52-Q97 HydrophobicContact CD2-CB 4.1Å; L52-Q97 HydrophobicContact CD2-CG 4.42Å; L52-L101 HydrophobicContact CD1-CD2 4.01Å; L52-L101 HydrophobicContact CD2-CD2 3.86Å; L52-L101 HydrophobicContact CD2-CG 4.18Å; L52-L104 HydrophobicContact CD1-CD1 3.37Å; L52-L104 HydrophobicContact CG-CD1 4.21Å
53N96.8Very high96.1Very high62 Ų6245.6 Ų45.633%0.33224%0.243SC..Hα-helixtrans-65.2-39.1175-171.754.5000112L19 L49 S50 K56 N57L19-N53 HydrophobicContact CD1-CB 3.87Å; L19-N53 HydrophobicContact CD2-CB 4.13Å; L49-N53 PolarHBondContact O-N 2.92Å; S50-N53 PolarHBondContact O-N 2.84Å; N53-K56 WeakPolarHBondContact O-CB 3.47Å; N53-K56 PolarHBondContact O-N 3.37Å; N53-K56 PolarHBondContact OD1-NZ 3.14Å; N53-K56 VanDerWaalsContact OD1-NZ 3.08Å; N53-N57 PolarHBondContact O-N 3.33Å; N53-N57 VanDerWaalsContact O-N 3.11Å; N53-N57 PolarHBondContact O-ND2 3.27Å
54T97.7Very high96.3Very high72 Ų7247.9 Ų47.944%0.44224%0.243SC..Hα-helixtrans-61.7-44.8171.8-58.30000111.1S50 Q51 L52 K56 N57 L58S50-T54 PolarHBondContact O-N 3.09Å; S50-T54 PolarHBondContact O-OG1 2.88Å; Q51-T54 WeakPolarHBondContact O-CB 3.05Å; Q51-T54 PolarHBondContact O-N 3.16Å; L52-T54 VanDerWaalsContact C-N 3.34Å; T54-K56 PolarHBondContact O-N 2.89Å; T54-N57 PolarHBondContact O-N 3.36Å; T54-L58 HydrophobicContact CG2-CD1 4.15Å; T54-L58 HydrophobicContact CG2-CG 4.44Å; T54-L58 WeakPolarHBondContact O-CG 3.41Å; T54-L58 PolarHBondContact O-N 3.16Å
55A97.3Very high96.4Very high1 Ų147.4 Ų47.41%0.00824%0.243CC..Hα-helixtrans-61.1-42177.300000112.3Q51 L52 L58 I59 V93 Q97Q51-A55 WeakPolarHBondContact O-CB 3.44Å; Q51-A55 PolarHBondContact O-N 3.31Å; L52-A55 WeakPolarHBondContact O-CB 3.17Å; L52-A55 PolarHBondContact O-N 2.95Å; A55-L58 PolarHBondContact O-N 3.08Å; A55-I59 VanDerWaalsContact O-CG1 3.31Å; A55-I59 WeakPolarHBondContact O-CG1 3.42Å; A55-I59 PolarHBondContact O-N 2.94Å; A55-V93 HydrophobicContact CB-CG1 3.82Å; A55-Q97 HydrophobicContact CB-CG 3.94Å
56K97.3Very high96.4Very high21 Ų2147.9 Ų47.99%0.09125%0.245CC..Hα-helixtrans-56.3-52.2173.6-173.2-169.277-167.20111.1L15 L19 L52 N53 T54 L58 I59 D60L15-K56 HydrophobicContact CB-CB 4.16Å; L15-K56 HydrophobicContact CB-CG 4.28Å; L15-K56 HydrophobicContact CD1-CB 3.92Å; L19-K56 HydrophobicContact CD1-CD 4.21Å; L52-K56 PolarHBondContact O-N 3.33Å; N53-K56 WeakPolarHBondContact O-CB 3.47Å; N53-K56 PolarHBondContact O-N 3.37Å; N53-K56 PolarHBondContact OD1-NZ 3.14Å; N53-K56 VanDerWaalsContact OD1-NZ 3.08Å; T54-K56 PolarHBondContact O-N 2.89Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 2.86Å; K56-I59 PolarHBondContact O-N 2.93Å; K56-D60 PolarHBondContact O-N 2.97Å
57N97.6Very high96.4Very high87 Ų8743.5 Ų43.547%0.46523%0.228SC..Hα-helixtrans-62.7-37.7-179.8-66.7-19.9000112.5N53 T54 D60 G61N53-N57 PolarHBondContact O-N 3.33Å; N53-N57 VanDerWaalsContact O-N 3.11Å; N53-N57 PolarHBondContact O-ND2 3.27Å; T54-N57 PolarHBondContact O-N 3.36Å; N57-D60 PolarHBondContact O-N 3.41Å; N57-G61 PolarHBondContact O-N 2.93Å
58L97.4Very high96.5Very high94 Ų9444.8 Ų44.849%0.49223%0.229SC..Hα-helixtrans-64.7-42.5175.1-74.3173.5000112T54 A55 K56 D60 G61 I62 V93T54-L58 HydrophobicContact CG2-CD1 4.15Å; T54-L58 HydrophobicContact CG2-CG 4.44Å; T54-L58 WeakPolarHBondContact O-CG 3.41Å; T54-L58 PolarHBondContact O-N 3.16Å; A55-L58 PolarHBondContact O-N 3.08Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 2.86Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-G61 PolarHBondContact O-N 3.3Å; L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.46Å; L58-I62 PolarHBondContact O-N 3.12Å; L58-V93 HydrophobicContact CB-CG1 4.34Å; L58-V93 HydrophobicContact CD1-CG1 4.49Å
59I97.4Very high96.5Very high0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-64.1-40.6177.5-70.7167.8000110.8Q8 Y11 L15 A55 K56 I62 G63 M90 V93 I94Q8-I59 HydrophobicContact CG-CG2 4.3Å; Y11-I59 HydrophobicContact CD2-CD1 4.48Å; Y11-I59 HydrophobicContact CD2-CG2 4.35Å; Y11-I59 HydrophobicContact CG-CD1 4.15Å; L15-I59 HydrophobicContact CD1-CD1 3.95Å; A55-I59 VanDerWaalsContact O-CG1 3.31Å; A55-I59 WeakPolarHBondContact O-CG1 3.42Å; A55-I59 PolarHBondContact O-N 2.94Å; K56-I59 PolarHBondContact O-N 2.93Å; I59-I62 PolarHBondContact O-N 3.25Å; I59-G63 PolarHBondContact O-N 3.04Å; I59-M90 HydrophobicContact CG2-CE 4.47Å; I59-M90 HydrophobicContact CG2-CG 4.19Å; I59-M90 HydrophobicContact CG2-SD 4.46Å; I59-V93 HydrophobicContact CD1-CG1 4.24Å; I59-V93 HydrophobicContact CG1-CB 4.28Å; I59-V93 HydrophobicContact CG1-CG1 4.04Å; I59-I94 HydrophobicContact CD1-CD1 3.53Å; I59-I94 HydrophobicContact CD1-CG1 3.89Å
60D97.2Very high96.4Very high24 Ų2447.8 Ų47.813%0.12825%0.245CC..Hα-helixtrans-66.3-36.5174.8-72.3-30.4000112.6Q8 H12 K56 N57 L58 R64Q8-D60 PolarHBondContact NE2-OD1 3.46Å; H12-D60 IonicContact CE1-OD2 2.74Å; H12-D60 IonicContact CG-OD1 3.56Å; H12-D60 IonicContact CG-OD2 2.72Å; H12-D60 IonicContact ND1-OD1 3.99Å; H12-D60 PolarHBondContact ND1-OD1 3.36Å; H12-D60 IonicContact ND1-OD2 3.39Å; H12-D60 PolarHBondContact ND1-OD2 3.22Å; K56-D60 PolarHBondContact O-N 2.97Å; N57-D60 PolarHBondContact O-N 3.41Å; L58-D60 VanDerWaalsContact C-N 3.33Å; D60-R64 WeakPolarHBondContact O-CG 3.38Å; D60-R64 PolarHBondContact O-N 2.81Å; D60-R64 VanDerWaalsContact O-N 3.15Å; D60-R64 PolarHBondContact O-NE 2.86Å
61G97.3Very high96.4Very high16 Ų1651.5 Ų51.517%0.16525%0.253CS..Hα-helixtrans-61.3-53.5169.900000112.3N57 L58 G63 R64 D65N57-G61 PolarHBondContact O-N 2.93Å; L58-G61 PolarHBondContact O-N 3.3Å; G61-G63 VanDerWaalsContact C-N 3.31Å; G61-G63 PolarHBondContact O-N 3.45Å; G61-R64 PolarHBondContact O-N 3.17Å; G61-D65 PolarHBondContact O-N 3.23Å
62I96.5Very high96.3Very high12 Ų1257 Ų576%0.06227%0.271CS..Hα-helixtrans-58-43.9178.6-66.8160.9000110.7L58 I59 D65 Q66 R89 M90 V93L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.46Å; L58-I62 PolarHBondContact O-N 3.12Å; I59-I62 PolarHBondContact O-N 3.25Å; I62-D65 PolarHBondContact O-N 2.96Å; I62-Q66 HydrophobicContact CG2-CG 4.06Å; I62-Q66 VanDerWaalsContact O-CB 3.28Å; I62-Q66 WeakPolarHBondContact O-CB 3.43Å; I62-Q66 WeakPolarHBondContact O-CG 3.47Å; I62-Q66 PolarHBondContact O-N 3.48Å; I62-R89 HydrophobicContact CD1-CB 4.17Å; I62-R89 HydrophobicContact CG2-CB 4.02Å; I62-M90 HydrophobicContact CG2-CE 4.24Å; I62-M90 HydrophobicContact CG2-CG 4.13Å; I62-V93 HydrophobicContact CD1-CG2 3.75Å
63G96.1Very high96.2Very high0 Ų058 Ų580%028%0.28CS..Hα-helixtrans-58.5-47.7177.800000112.4I59 G61 V67I59-G63 PolarHBondContact O-N 3.04Å; G61-G63 VanDerWaalsContact C-N 3.31Å; G61-G63 PolarHBondContact O-N 3.45Å; G63-V67 WeakPolarHBondContact O-CB 3.43Å; G63-V67 WeakPolarHBondContact O-CG2 3.48Å; G63-V67 PolarHBondContact O-N 2.97Å; G63-V67 VanDerWaalsContact O-N 3.11Å
64R95.6Very high96.1Very high159 Ų15963.7 Ų63.760%0.631%0.305SS*.Hα-helixtrans-63.7-47.6178.7-74.2-177.6-67.6158.5-1.9112.4D60 G61 V67 K68D60-R64 WeakPolarHBondContact O-CG 3.38Å; D60-R64 PolarHBondContact O-N 2.81Å; D60-R64 VanDerWaalsContact O-N 3.15Å; D60-R64 PolarHBondContact O-NE 2.86Å; G61-R64 PolarHBondContact O-N 3.17Å; R64-V67 PolarHBondContact O-N 2.82Å; R64-K68 WeakPolarHBondContact O-CG 3.48Å; R64-K68 PolarHBondContact O-N 3.04Å; R64-K68 VanDerWaalsContact O-N 3.11Å
65D96.2Very high96Very high74 Ų7462.4 Ų62.440%0.39630%0.299SS..Hα-helixtrans-67.6-43.1-176.5-67.3-20.4000112G61 I62 V67 K68 I69G61-D65 PolarHBondContact O-N 3.23Å; I62-D65 PolarHBondContact O-N 2.96Å; D65-V67 VanDerWaalsContact C-N 3.32Å; D65-V67 PolarHBondContact O-N 3.17Å; D65-K68 WeakPolarHBondContact O-CB 3.15Å; D65-K68 PolarHBondContact O-N 3.32Å; D65-K68 VanDerWaalsContact O-N 3.14Å; D65-I69 WeakPolarHBondContact O-CG1 3.4Å; D65-I69 PolarHBondContact O-N 3.23Å
66Q94.6Very high95.9Very high11 Ų1169.7 Ų69.75%0.05134%0.337CS..Hα-helixtrans-67.2-34.4178.8-66.8-64.8-43.200112V4 I62 K68 I69 L70 A86V4-Q66 HydrophobicContact CG1-CB 4.27Å; I62-Q66 HydrophobicContact CG2-CG 4.06Å; I62-Q66 VanDerWaalsContact O-CB 3.28Å; I62-Q66 WeakPolarHBondContact O-CB 3.43Å; I62-Q66 WeakPolarHBondContact O-CG 3.47Å; I62-Q66 PolarHBondContact O-N 3.48Å; Q66-K68 VanDerWaalsContact C-N 3.34Å; Q66-I69 PolarHBondContact O-N 3.47Å; Q66-L70 VanDerWaalsContact O-CB 3.27Å; Q66-L70 WeakPolarHBondContact O-CB 3.31Å; Q66-L70 WeakPolarHBondContact O-CD1 3.41Å; Q66-L70 VanDerWaalsContact O-CG 3.23Å; Q66-L70 WeakPolarHBondContact O-CG 3.45Å; Q66-L70 PolarHBondContact O-N 3.19Å; Q66-A86 HydrophobicContact CB-CB 3.7Å; Q66-A86 HydrophobicContact CG-CB 3.56Å
67V95.6Very high95.8Very high18 Ų1877 Ų7711%0.10937%0.365CS..Hα-helixtrans-66.2-36173169.60000111.6M1 V4 K5 G63 R64 D65M1-V67 HydrophobicContact CG-CG1 4.49Å; V4-V67 HydrophobicContact CB-CG2 4.48Å; V4-V67 HydrophobicContact CG1-CG2 4.25Å; K5-V67 HydrophobicContact CG-CG2 3.85Å; G63-V67 WeakPolarHBondContact O-CB 3.43Å; G63-V67 WeakPolarHBondContact O-CG2 3.48Å; G63-V67 PolarHBondContact O-N 2.97Å; G63-V67 VanDerWaalsContact O-N 3.11Å; R64-V67 PolarHBondContact O-N 2.82Å; D65-V67 VanDerWaalsContact C-N 3.32Å; D65-V67 PolarHBondContact O-N 3.17Å
68K95.6Very high95.8Very high121 Ų12176.4 Ų76.453%0.52636%0.36SS..Hα-helixtrans-64.8-49.6173.6-69.7172.1-175.7171.70111.4R64 D65 Q66 L70 K71 Y72R64-K68 WeakPolarHBondContact O-CG 3.48Å; R64-K68 PolarHBondContact O-N 3.04Å; R64-K68 VanDerWaalsContact O-N 3.11Å; D65-K68 WeakPolarHBondContact O-CB 3.15Å; D65-K68 PolarHBondContact O-N 3.32Å; D65-K68 VanDerWaalsContact O-N 3.14Å; Q66-K68 VanDerWaalsContact C-N 3.34Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 2.88Å; K68-K71 WeakPolarHBondContact O-CB 3.38Å; K68-K71 PolarHBondContact O-N 2.98Å; K68-K71 VanDerWaalsContact O-N 3.11Å; K68-Y72 WeakPolarHBondContact O-CD2 3.48Å
69I95.3Very high95.7Very high79 Ų7974 Ų7441%0.40535%0.35SS..Hα-helixtrans-62.1-39.8-179.6-61.6164.7000110.9D65 Q66 K71 Y72 L82D65-I69 WeakPolarHBondContact O-CG1 3.4Å; D65-I69 PolarHBondContact O-N 3.23Å; Q66-I69 PolarHBondContact O-N 3.47Å; I69-K71 PolarHBondContact O-N 2.99Å; I69-Y72 PolarHBondContact O-N 3.37Å; I69-Y72 VanDerWaalsContact O-N 3.1Å; I69-L82 HydrophobicContact CG2-CD1 3.86Å; I69-L82 HydrophobicContact CG2-CD2 3.64Å; I69-L82 HydrophobicContact CG2-CG 4.41Å
70L95.4Very high95.7Very high11 Ų1179.7 Ų79.76%0.05838%0.375CS..THydrogen-bonded Turntrans-59.7-16.7176.8-84.6165000114.4M1 V4 Q66 K68 Y72 L82M1-L70 HydrophobicContact CE-CB 4.41Å; M1-L70 HydrophobicContact CG-CB 4.04Å; M1-L70 HydrophobicContact CG-CD1 4.44Å; V4-L70 HydrophobicContact CG2-CD1 3.86Å; Q66-L70 VanDerWaalsContact O-CB 3.27Å; Q66-L70 WeakPolarHBondContact O-CB 3.31Å; Q66-L70 WeakPolarHBondContact O-CD1 3.41Å; Q66-L70 VanDerWaalsContact O-CG 3.23Å; Q66-L70 WeakPolarHBondContact O-CG 3.45Å; Q66-L70 PolarHBondContact O-N 3.19Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 2.88Å; L70-Y72 VanDerWaalsContact C-N 3.35Å; L70-L82 HydrophobicContact CD2-CB 3.78Å; L70-L82 HydrophobicContact CD2-CD1 4.1Å; L70-L82 HydrophobicContact CG-CB 4.19Å; L70-L82 HydrophobicContact CG-CD1 4.41Å
71K94.8Very high95.6Very high141 Ų14181.3 Ų81.361%0.61339%0.386SS*.THydrogen-bonded Turntrans-73.5-26.9176.3-66.3179.2177.9-1740112.9M1 K68 I69M1-K71 HydrophobicContact CE-CB 4.17Å; M1-K71 HydrophobicContact CE-CG 3.59Å; M1-K71 HydrophobicContact SD-CG 4.38Å; K68-K71 WeakPolarHBondContact O-CB 3.38Å; K68-K71 PolarHBondContact O-N 2.98Å; K68-K71 VanDerWaalsContact O-N 3.11Å; I69-K71 PolarHBondContact O-N 2.99Å
72Y95.1Very high95.6Very high192 Ų19282.4 Ų82.475%0.75339%0.387SS*.SBendtrans-99.26.3-176-57.6-78.2000113.1K68 I69 L70K68-Y72 WeakPolarHBondContact O-CD2 3.48Å; I69-Y72 PolarHBondContact O-N 3.37Å; I69-Y72 VanDerWaalsContact O-N 3.1Å; L70-Y72 VanDerWaalsContact C-N 3.35Å
73A93.6Very high95.6Very high23 Ų2384.6 Ų84.619%0.1940%0.397CS..  trans-80.1126.1178.900000110.7Q78 L82A73-Q78 HydrophobicContact CB-CB 4.11Å; A73-L82 HydrophobicContact CB-CD1 3.91Å
74E94.3Very high95.6Very high181 Ų18193 Ų9385%0.84643%0.428SS*.  trans-92.3-27.4-172.4-62.4176171.800112.5
75S94.9Very high95.6Very high46 Ų4687.7 Ų87.732%0.32242%0.418SS..SBendtrans-118.3155.8-176.369.90000113.6Y77 Q78 C79S75-Y77 PolarHBondContact O-N 3.35Å; S75-Q78 PolarHBondContact O-N 3.35Å; S75-Q78 VanDerWaalsContact OG-CG 3.32Å; S75-Q78 WeakPolarHBondContact OG-CG 3.49Å; S75-Q78 PolarHBondContact OG-N 2.89Å; S75-C79 PolarHBondContact O-N 3.45Å; S75-C79 PolarHBondContact O-SG 3.28Å; S75-C79 VanDerWaalsContact O-SG 3.4Å
76L95.7Very high95.6Very high153 Ų15384.1 Ų84.180%0.80140%0.4SS*.Hα-helixtrans-58.4-36.5172.5-17964.2000111.8C79 K80L76-C79 PolarHBondContact O-N 3.14Å; L76-K80 WeakPolarHBondContact O-CB 3.41Å; L76-K80 PolarHBondContact O-N 2.61Å
77Y96.4Very high95.7Very high174 Ų17486 Ų8668%0.68241%0.409SS*.Hα-helixtrans-62.2-50.5177.3-179.7-101.6000111.2S75 C79 K80 T81S75-Y77 PolarHBondContact O-N 3.35Å; Y77-C79 VanDerWaalsContact C-N 3.34Å; Y77-C79 PolarHBondContact O-N 3.46Å; Y77-K80 WeakPolarHBondContact O-CB 3.41Å; Y77-K80 PolarHBondContact O-N 2.98Å; Y77-K80 VanDerWaalsContact O-N 3.1Å; Y77-T81 HydrophobicContact CD1-CG2 4.32Å; Y77-T81 HydrophobicContact CE1-CG2 3.92Å; Y77-T81 HydrophobicContact CE2-CG2 4.21Å; Y77-T81 WeakPolarHBondContact O-CG2 3.37Å; Y77-T81 PolarHBondContact O-N 3.32Å; Y77-T81 PolarHBondContact O-OG1 2.91Å
78Q95.7Very high95.8Very high76 Ų7686.7 Ų86.736%0.35542%0.421SS..Hα-helixtrans-59.4-42.5175-73.4173-3.100111.9A73 S75 K80 T81 L82A73-Q78 HydrophobicContact CB-CB 4.11Å; S75-Q78 PolarHBondContact O-N 3.35Å; S75-Q78 VanDerWaalsContact OG-CG 3.32Å; S75-Q78 WeakPolarHBondContact OG-CG 3.49Å; S75-Q78 PolarHBondContact OG-N 2.89Å; Q78-K80 VanDerWaalsContact C-N 3.3Å; Q78-K80 PolarHBondContact O-N 3.42Å; Q78-T81 WeakPolarHBondContact CA-OG1 3.07Å; Q78-T81 PolarHBondContact O-N 3Å; Q78-T81 PolarHBondContact O-OG1 3.14Å; Q78-L82 WeakPolarHBondContact O-CB 3.47Å; Q78-L82 VanDerWaalsContact O-CG 3.28Å; Q78-L82 WeakPolarHBondContact O-CG 3.35Å; Q78-L82 PolarHBondContact O-N 3.45Å
79C96.2Very high95.9Very high43 Ų4386.8 Ų86.829%0.29142%0.418SS..Hα-helixtrans-60.3-39.9174.6-72.20000112.4S75 L76 Y77 K83S75-C79 PolarHBondContact O-N 3.45Å; S75-C79 PolarHBondContact O-SG 3.28Å; S75-C79 VanDerWaalsContact O-SG 3.4Å; L76-C79 PolarHBondContact O-N 3.14Å; Y77-C79 VanDerWaalsContact C-N 3.34Å; Y77-C79 PolarHBondContact O-N 3.46Å; C79-K83 VanDerWaalsContact O-CB 3.27Å; C79-K83 WeakPolarHBondContact O-CB 3.46Å; C79-K83 PolarHBondContact O-N 3.16Å
80K96.9Very high96Very high120 Ų12083 Ų8352%0.52240%0.398SS..Hα-helixtrans-68.6-43.9179.7-178.1-179.3177.5-178.40111.5L76 Y77 Q78 R84L76-K80 WeakPolarHBondContact O-CB 3.41Å; L76-K80 PolarHBondContact O-N 2.61Å; Y77-K80 WeakPolarHBondContact O-CB 3.41Å; Y77-K80 PolarHBondContact O-N 2.98Å; Y77-K80 VanDerWaalsContact O-N 3.1Å; Q78-K80 VanDerWaalsContact C-N 3.3Å; Q78-K80 PolarHBondContact O-N 3.42Å; K80-R84 WeakPolarHBondContact O-CG 3.44Å; K80-R84 PolarHBondContact O-N 3.36Å
81T96.3Very high96.1Very high57 Ų5785 Ų8535%0.3541%0.412SS..Hα-helixtrans-65.6-47.117954.80000111Y77 Q78 K83 R84 A85Y77-T81 HydrophobicContact CD1-CG2 4.32Å; Y77-T81 HydrophobicContact CE1-CG2 3.92Å; Y77-T81 HydrophobicContact CE2-CG2 4.21Å; Y77-T81 WeakPolarHBondContact O-CG2 3.37Å; Y77-T81 PolarHBondContact O-N 3.32Å; Y77-T81 PolarHBondContact O-OG1 2.91Å; Q78-T81 WeakPolarHBondContact CA-OG1 3.07Å; Q78-T81 PolarHBondContact O-N 3Å; Q78-T81 PolarHBondContact O-OG1 3.14Å; T81-K83 PolarHBondContact O-N 3.32Å; T81-R84 PolarHBondContact O-N 3.34Å; T81-R84 VanDerWaalsContact O-N 3.14Å; T81-A85 WeakPolarHBondContact O-CB 3.37Å; T81-A85 PolarHBondContact O-N 2.9Å
82L95.8Very high96.2Very high39 Ų3981.5 Ų81.520%0.20440%0.403CS..Hα-helixtrans-59.6-43.8175.7-71172.7000112.4I69 L70 A73 Q78 R84 A85 A86I69-L82 HydrophobicContact CG2-CD1 3.86Å; I69-L82 HydrophobicContact CG2-CD2 3.64Å; I69-L82 HydrophobicContact CG2-CG 4.41Å; L70-L82 HydrophobicContact CD2-CB 3.78Å; L70-L82 HydrophobicContact CD2-CD1 4.1Å; L70-L82 HydrophobicContact CG-CB 4.19Å; L70-L82 HydrophobicContact CG-CD1 4.41Å; A73-L82 HydrophobicContact CB-CD1 3.91Å; Q78-L82 WeakPolarHBondContact O-CB 3.47Å; Q78-L82 VanDerWaalsContact O-CG 3.28Å; Q78-L82 WeakPolarHBondContact O-CG 3.35Å; Q78-L82 PolarHBondContact O-N 3.45Å; L82-R84 PolarHBondContact O-N 3.44Å; L82-A85 PolarHBondContact O-N 2.91Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.18Å
83K96.6Very high96.3Very high59 Ų5973.3 Ų73.326%0.25737%0.373SS..Hα-helixtrans-60.1-45.1174.3180-148.466.8-179.50111.7K3 V4 C79 T81 A86 L87K3-K83 HydrophobicContact CB-CD 4.44Å; K3-K83 HydrophobicContact CD-CD 4.02Å; V4-K83 HydrophobicContact CG2-CG 4.3Å; C79-K83 VanDerWaalsContact O-CB 3.27Å; C79-K83 WeakPolarHBondContact O-CB 3.46Å; C79-K83 PolarHBondContact O-N 3.16Å; T81-K83 PolarHBondContact O-N 3.32Å; K83-A86 PolarHBondContact O-N 3.04Å; K83-L87 HydrophobicContact CG-CD1 4.29Å; K83-L87 WeakPolarHBondContact O-CG 3.47Å; K83-L87 PolarHBondContact O-N 2.65Å; K83-L87 VanDerWaalsContact O-N 3.12Å
84R96.8Very high96.4Very high175 Ų17573.8 Ų73.866%0.6637%0.372SS*.Hα-helixtrans-62.8-42.7177.5-76.1-178.674.3174.44.9111.2K80 T81 L82 G88K80-R84 WeakPolarHBondContact O-CG 3.44Å; K80-R84 PolarHBondContact O-N 3.36Å; T81-R84 PolarHBondContact O-N 3.34Å; T81-R84 VanDerWaalsContact O-N 3.14Å; L82-R84 PolarHBondContact O-N 3.44Å; R84-G88 PolarHBondContact O-N 2.83Å
85A96.1Very high96.5Very high48 Ų4873.1 Ų73.140%0.39737%0.367SS..Hα-helixtrans-61.9-44.9176.800000111.8T81 L82 G88 R89T81-A85 WeakPolarHBondContact O-CB 3.37Å; T81-A85 PolarHBondContact O-N 2.9Å; L82-A85 PolarHBondContact O-N 2.91Å; A85-G88 PolarHBondContact O-N 3.01Å; A85-R89 WeakPolarHBondContact O-CB 3.15Å; A85-R89 VanDerWaalsContact O-CG 3.29Å; A85-R89 WeakPolarHBondContact O-CG 3.32Å; A85-R89 PolarHBondContact O-N 3.37Å
86A96.4Very high96.6Very high0 Ų080.1 Ų80.10%039%0.386CS..Hα-helixtrans-59.1-51.9177.400000112.6V4 Q66 L82 K83 R89 M90V4-A86 HydrophobicContact CG1-CB 3.96Å; V4-A86 HydrophobicContact CG2-CB 3.85Å; Q66-A86 HydrophobicContact CB-CB 3.7Å; Q66-A86 HydrophobicContact CG-CB 3.56Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.18Å; K83-A86 PolarHBondContact O-N 3.04Å; A86-R89 PolarHBondContact O-N 3.47Å; A86-M90 WeakPolarHBondContact O-CG 3.25Å; A86-M90 PolarHBondContact O-N 3.16Å; A86-M90 VanDerWaalsContact O-N 3.09Å
87L97.3Very high96.7Very high49 Ų4974.1 Ų74.126%0.25735%0.354SS..Hα-helixtrans-65.1-40.7179.2-63.7176.6000111.7C7 K83 M90 C91C7-L87 HydrophobicContact CB-CD2 3.42Å; C7-L87 VanDerWaalsContact CB-CD2 3.42Å; C7-L87 WeakPolarHBondContact SG-CD2 3.44Å; K83-L87 HydrophobicContact CG-CD1 4.29Å; K83-L87 WeakPolarHBondContact O-CG 3.47Å; K83-L87 PolarHBondContact O-N 2.65Å; K83-L87 VanDerWaalsContact O-N 3.12Å; L87-M90 PolarHBondContact O-N 3.14Å; L87-C91 PolarHBondContact O-N 2.84Å; L87-C91 PolarHBondContact O-SG 2.62Å
88G96.8Very high96.7Very high34 Ų3468.3 Ų68.335%0.35134%0.342SS..Hα-helixtrans-60.3-46175.900000112R84 A85 M90 C91 T92R84-G88 PolarHBondContact O-N 2.83Å; A85-G88 PolarHBondContact O-N 3.01Å; G88-M90 PolarHBondContact O-N 3.35Å; G88-C91 PolarHBondContact O-N 2.96Å; G88-T92 PolarHBondContact O-N 2.74Å; G88-T92 PolarHBondContact O-OG1 3.34Å
89R96.9Very high96.7Very high122 Ų12271 Ų7146%0.4636%0.358SS..Hα-helixtrans-60.1-44.7175.7-74.2179.868.4-179.90.9112.1I62 A85 A86 T92 V93I62-R89 HydrophobicContact CD1-CB 4.17Å; I62-R89 HydrophobicContact CG2-CB 4.02Å; A85-R89 WeakPolarHBondContact O-CB 3.15Å; A85-R89 VanDerWaalsContact O-CG 3.29Å; A85-R89 WeakPolarHBondContact O-CG 3.32Å; A85-R89 PolarHBondContact O-N 3.37Å; A86-R89 PolarHBondContact O-N 3.47Å; R89-T92 PolarHBondContact O-N 3.34Å; R89-V93 WeakPolarHBondContact O-CG2 3.27Å; R89-V93 PolarHBondContact O-N 3.46Å; R89-V93 VanDerWaalsContact O-N 3.07Å
90M97.4Very high96.7Very high0 Ų069.7 Ų69.70%035%0.348CS..Hα-helixtrans-60.5-46175.5-67.3171.6176.600111.6V4 C7 Q8 Y11 I59 I62 A86 L87 G88 T92 V93 I94V4-M90 HydrophobicContact CG1-CE 4.02Å; C7-M90 HydrophobicContact CB-SD 4.33Å; Q8-M90 HydrophobicContact CB-CE 3.79Å; Q8-M90 HydrophobicContact CG-CE 4.34Å; Y11-M90 HydrophobicContact CD2-CB 4.15Å; Y11-M90 HydrophobicContact CD2-SD 4.45Å; Y11-M90 HydrophobicContact CE2-CB 3.87Å; I59-M90 HydrophobicContact CG2-CE 4.47Å; I59-M90 HydrophobicContact CG2-CG 4.19Å; I59-M90 HydrophobicContact CG2-SD 4.46Å; I62-M90 HydrophobicContact CG2-CE 4.24Å; I62-M90 HydrophobicContact CG2-CG 4.13Å; A86-M90 WeakPolarHBondContact O-CG 3.25Å; A86-M90 PolarHBondContact O-N 3.16Å; A86-M90 VanDerWaalsContact O-N 3.09Å; L87-M90 PolarHBondContact O-N 3.14Å; G88-M90 PolarHBondContact O-N 3.35Å; M90-T92 VanDerWaalsContact C-N 3.33Å; M90-T92 PolarHBondContact O-N 2.72Å; M90-V93 PolarHBondContact O-N 3.32Å; M90-I94 PolarHBondContact O-N 3.38Å; M90-I94 VanDerWaalsContact O-N 3.17Å
91C97.1Very high96.7Very high52 Ų5266.7 Ų66.735%0.35134%0.338SS..Hα-helixtrans-61.9-39.5177-66.50000112.1L87 G88 I94 K95L87-C91 PolarHBondContact O-N 2.84Å; L87-C91 PolarHBondContact O-SG 2.62Å; G88-C91 PolarHBondContact O-N 2.96Å; C91-I94 PolarHBondContact O-N 3.36Å; C91-K95 WeakPolarHBondContact O-CB 3.49Å; C91-K95 WeakPolarHBondContact O-CG 3.42Å; C91-K95 PolarHBondContact O-N 2.95Å
92T97.5Very high96.7Very high69 Ų6970.8 Ų70.842%0.42335%0.351SS..Hα-helixtrans-64.4-38.8176.8-58.30000111.9G88 R89 M90 I94 K95 R96G88-T92 PolarHBondContact O-N 2.74Å; G88-T92 PolarHBondContact O-OG1 3.34Å; R89-T92 PolarHBondContact O-N 3.34Å; M90-T92 VanDerWaalsContact C-N 3.33Å; M90-T92 PolarHBondContact O-N 2.72Å; T92-I94 VanDerWaalsContact C-N 3.35Å; T92-K95 PolarHBondContact O-N 3.27Å; T92-R96 WeakPolarHBondContact O-CG 3.41Å; T92-R96 PolarHBondContact O-N 3.19Å; T92-R96 VanDerWaalsContact O-N 3.17Å
93V97.1Very high96.7Very high19 Ų1970.8 Ų70.812%0.11535%0.349CS..Hα-helixtrans-60.3-46174.4173.10000110.6A55 L58 I59 I62 R89 M90 R96A55-V93 HydrophobicContact CB-CG1 3.82Å; L58-V93 HydrophobicContact CB-CG1 4.34Å; L58-V93 HydrophobicContact CD1-CG1 4.49Å; I59-V93 HydrophobicContact CD1-CG1 4.24Å; I59-V93 HydrophobicContact CG1-CB 4.28Å; I59-V93 HydrophobicContact CG1-CG1 4.04Å; I62-V93 HydrophobicContact CD1-CG2 3.75Å; R89-V93 WeakPolarHBondContact O-CG2 3.27Å; R89-V93 PolarHBondContact O-N 3.46Å; R89-V93 VanDerWaalsContact O-N 3.07Å; M90-V93 PolarHBondContact O-N 3.32Å; V93-R96 PolarHBondContact O-N 2.99Å
94I96.5Very high96.7Very high34 Ų3468.1 Ų68.117%0.17434%0.338CS..Hα-helixtrans-67.7-42.1178.7-63.2-62.5000112.2Y11 L15 I59 M90 C91 T92 R96 Q97Y11-I94 HydrophobicContact CD1-CD1 4.07Å; Y11-I94 HydrophobicContact CD1-CG1 3.9Å; Y11-I94 HydrophobicContact CE1-CD1 4.32Å; Y11-I94 HydrophobicContact CE1-CG1 3.69Å; L15-I94 HydrophobicContact CD1-CD1 4.04Å; L15-I94 HydrophobicContact CD2-CD1 4.41Å; I59-I94 HydrophobicContact CD1-CD1 3.53Å; I59-I94 HydrophobicContact CD1-CG1 3.89Å; M90-I94 PolarHBondContact O-N 3.38Å; M90-I94 VanDerWaalsContact O-N 3.17Å; C91-I94 PolarHBondContact O-N 3.36Å; T92-I94 VanDerWaalsContact C-N 3.35Å; I94-R96 PolarHBondContact O-N 3.08Å; I94-Q97 WeakPolarHBondContact O-CB 3.25Å; I94-Q97 PolarHBondContact O-N 3.05Å
95K96.9Very high96.6Very high167 Ų16763.3 Ų63.373%0.72632%0.323SS*.Hα-helixtrans-59.7-32.9178-78.7-174.3175.8-168.30112.9C91 T92 Q97 A98C91-K95 WeakPolarHBondContact O-CB 3.49Å; C91-K95 WeakPolarHBondContact O-CG 3.42Å; C91-K95 PolarHBondContact O-N 2.95Å; T92-K95 PolarHBondContact O-N 3.27Å; K95-Q97 PolarHBondContact O-N 3.11Å; K95-A98 WeakPolarHBondContact O-CB 3.31Å; K95-A98 PolarHBondContact O-N 3.19Å
96R96.9Very high96.6Very high192 Ų19265.1 Ų65.173%0.72533%0.326SS*.THydrogen-bonded Turntrans-67.1-17174.3-72.9175.2179.6-170.4-1.5113.6T92 V93 I94T92-R96 WeakPolarHBondContact O-CG 3.41Å; T92-R96 PolarHBondContact O-N 3.19Å; T92-R96 VanDerWaalsContact O-N 3.17Å; V93-R96 PolarHBondContact O-N 2.99Å; I94-R96 PolarHBondContact O-N 3.08Å
97Q96.4Very high96.5Very high28 Ų2865.2 Ų65.213%0.13133%0.327CS..THydrogen-bonded Turntrans-101.412.7-178.2-58.5-58.4-4300112.9L52 A55 I94 K95 D99 N100 L101L52-Q97 HydrophobicContact CD2-CB 4.1Å; L52-Q97 HydrophobicContact CD2-CG 4.42Å; A55-Q97 HydrophobicContact CB-CG 3.94Å; I94-Q97 WeakPolarHBondContact O-CB 3.25Å; I94-Q97 PolarHBondContact O-N 3.05Å; K95-Q97 PolarHBondContact O-N 3.11Å; Q97-D99 VanDerWaalsContact C-N 3.34Å; Q97-D99 PolarHBondContact O-N 3.17Å; Q97-N100 PolarHBondContact O-N 2.68Å; Q97-N100 PolarHBondContact OE1-ND2 3.48Å; Q97-L101 WeakPolarHBondContact O-CG 3.37Å; Q97-L101 PolarHBondContact O-N 3.44Å
98A96.3Very high96.4Very high52 Ų5268.3 Ų68.343%0.4334%0.335SS..Hα-helixtrans-57.8-43.7-175.200000112.8K95 L101 K102K95-A98 WeakPolarHBondContact O-CB 3.31Å; K95-A98 PolarHBondContact O-N 3.19Å; A98-L101 PolarHBondContact O-N 2.8Å; A98-K102 PolarHBondContact O-N 2.96Å
99D96.3Very high96.3Very high132 Ų13270.6 Ų70.671%0.70634%0.336SS*.Hα-helixtrans-66.9-41.6-178.4-59.3-32.9000111.9Q97 L101 K102 F103Q97-D99 VanDerWaalsContact C-N 3.34Å; Q97-D99 PolarHBondContact O-N 3.17Å; D99-L101 PolarHBondContact O-N 3.49Å; D99-K102 PolarHBondContact O-N 3.24Å; D99-F103 WeakPolarHBondContact O-CB 3.37Å; D99-F103 PolarHBondContact O-N 3.32Å
100N96.7Very high96Very high15 Ų1568.8 Ų68.88%0.0833%0.333CS..Hα-helixtrans-65.1-38.9176.4-62.9-43.5000112.2A48 Q51 Q97 K102 F103 L104A48-N100 HydrophobicContact CB-CB 4.13Å; Q51-N100 PolarHBondContact OE1-ND2 2.92Å; Q97-N100 PolarHBondContact O-N 2.68Å; Q97-N100 PolarHBondContact OE1-ND2 3.48Å; N100-K102 VanDerWaalsContact C-N 3.35Å; N100-F103 PolarHBondContact O-N 2.88Å; N100-L104 WeakPolarHBondContact O-CB 3.48Å; N100-L104 VanDerWaalsContact O-CG 3.28Å; N100-L104 WeakPolarHBondContact O-CG 3.39Å; N100-L104 PolarHBondContact O-N 3.4Å
101L96.4Very high95.7Very high58 Ų5871.1 Ų71.130%0.30434%0.344SS..Hα-helixtrans-66.6-38.8176.8-72.2172000111.4I18 L52 Q97 A98 D99 E105I18-L101 HydrophobicContact CD1-CD2 4.26Å; L52-L101 HydrophobicContact CD1-CD2 4.01Å; L52-L101 HydrophobicContact CD2-CD2 3.86Å; L52-L101 HydrophobicContact CD2-CG 4.18Å; Q97-L101 WeakPolarHBondContact O-CG 3.37Å; Q97-L101 PolarHBondContact O-N 3.44Å; A98-L101 PolarHBondContact O-N 2.8Å; D99-L101 PolarHBondContact O-N 3.49Å; L101-E105 WeakPolarHBondContact O-CB 3.43Å; L101-E105 PolarHBondContact O-N 3.34Å
102K96.7Very high95.4Very high142 Ų14272.8 Ų72.862%0.61736%0.357SS*.Hα-helixtrans-62.6-50.3173.8-174.8-177.8176.7-174.10111A98 D99 N100 L104 E105 D106A98-K102 PolarHBondContact O-N 2.96Å; D99-K102 PolarHBondContact O-N 3.24Å; N100-K102 VanDerWaalsContact C-N 3.35Å; K102-L104 PolarHBondContact O-N 3.03Å; K102-E105 PolarHBondContact O-N 2.85Å; K102-D106 PolarHBondContact O-N 3.28Å
103F96.4Very high95.1Very high39 Ų3979 Ų7917%0.17137%0.373CS..Hα-helixtrans-58.3-44.3177.7168.9-101.1000112.8H44 A48 D99 N100 D106 T107H44-F103 AromaticContact CD2-CD1 3.82Å; H44-F103 AromaticContact CD2-CD2 3.54Å; H44-F103 AromaticContact CD2-CE1 3.69Å; H44-F103 AromaticContact CD2-CE2 3.4Å; H44-F103 WeakPolarHBondContact CD2-CE2 3.49Å; H44-F103 AromaticContact CD2-CG 3.75Å; H44-F103 AromaticContact CD2-CZ 3.47Å; H44-F103 VanDerWaalsContact CD2-CZ 3.47Å; H44-F103 WeakPolarHBondContact CD2-CZ 3.46Å; H44-F103 AromaticContact NE2-CD1 3.95Å; H44-F103 AromaticContact NE2-CD2 3.69Å; H44-F103 AromaticContact NE2-CG 3.63Å; A48-F103 HydrophobicContact CB-CD1 3.92Å; A48-F103 HydrophobicContact CB-CE1 4.27Å; D99-F103 WeakPolarHBondContact O-CB 3.37Å; D99-F103 PolarHBondContact O-N 3.32Å; N100-F103 PolarHBondContact O-N 2.88Å; F103-D106 PolarHBondContact O-N 2.91Å; F103-T107 WeakPolarHBondContact CZ-OG1 3.43Å; F103-T107 WeakPolarHBondContact O-CB 3.48Å; F103-T107 PolarHBondContact O-N 3.41Å; F103-T107 PolarHBondContact O-OG1 2.96Å
104L95.9Very high94.7Very high4 Ų480.4 Ų80.42%0.02138%0.379CS..Hα-helixtrans-67.2-35.9177.9-73.4171.4000112F22 Y45 A48 L49 L52 N100 K102 T107 R108F22-L104 HydrophobicContact CD1-CD2 4.49Å; F22-L104 HydrophobicContact CE1-CD2 4.13Å; F22-L104 HydrophobicContact CE2-CB 4.23Å; F22-L104 HydrophobicContact CE2-CD2 4.38Å; F22-L104 HydrophobicContact CZ-CB 3.93Å; F22-L104 HydrophobicContact CZ-CD2 4.06Å; F22-L104 WeakPolarHBondContact CZ-O 3.33Å; Y45-L104 HydrophobicContact CD2-CD2 4.4Å; Y45-L104 HydrophobicContact CE2-CD2 4.36Å; A48-L104 HydrophobicContact CB-CD1 4.24Å; A48-L104 HydrophobicContact CB-CD2 4.24Å; A48-L104 HydrophobicContact CB-CG 4.1Å; L49-L104 HydrophobicContact CD2-CD1 3.99Å; L49-L104 HydrophobicContact CD2-CD2 3.98Å; L49-L104 HydrophobicContact CG-CD2 4.21Å; L52-L104 HydrophobicContact CD1-CD1 3.37Å; L52-L104 HydrophobicContact CG-CD1 4.21Å; N100-L104 WeakPolarHBondContact O-CB 3.48Å; N100-L104 VanDerWaalsContact O-CG 3.28Å; N100-L104 WeakPolarHBondContact O-CG 3.39Å; N100-L104 PolarHBondContact O-N 3.4Å; K102-L104 PolarHBondContact O-N 3.03Å; L104-T107 PolarHBondContact O-N 3.27Å; L104-R108 WeakPolarHBondContact O-CB 3.44Å; L104-R108 PolarHBondContact O-N 3.14Å
105E95.6Very high94.5Very high73 Ų7380.8 Ų80.834%0.34138%0.384SS..Hα-helixtrans-65.9-45.1175.1179.554.9-157.600111.7L101 K102 T107 R108 Q109L101-E105 WeakPolarHBondContact O-CB 3.43Å; L101-E105 PolarHBondContact O-N 3.34Å; K102-E105 PolarHBondContact O-N 2.85Å; E105-T107 VanDerWaalsContact C-N 3.3Å; E105-T107 PolarHBondContact O-N 3.35Å; E105-R108 WeakPolarHBondContact O-CB 3.31Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 IonicContact OE1-CZ 2.59Å; E105-R108 IonicContact OE1-NE 3.63Å; E105-R108 PolarHBondContact OE1-NE 3.49Å; E105-R108 IonicContact OE1-NH2 2.71Å; E105-R108 PolarHBondContact OE1-NH2 3.27Å; E105-R108 IonicContact OE2-CZ 3.6Å; E105-R108 IonicContact OE2-NE 2.73Å; E105-R108 PolarHBondContact OE2-NE 2.95Å; E105-R108 IonicContact OE2-NH2 3.47Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 2.76Å; E105-Q109 PolarHBondContact OE1-NE2 3.47Å
106D95.3Very high94.2Very high86 Ų8678.5 Ų78.546%0.4638%0.384SS..Hα-helixtrans-59.7-43.5175.3-65.8-22.4000110.7K102 F103 Q109 H110K102-D106 PolarHBondContact O-N 3.28Å; F103-D106 PolarHBondContact O-N 2.91Å; D106-Q109 PolarHBondContact O-N 2.84Å; D106-H110 PolarHBondContact O-N 3.39Å
107T94.3Very high94Very high3 Ų369.7 Ų69.72%0.01835%0.351CS..Hα-helixtrans-60.4-47.2175-59.20000111.3F22 Y40 Y45 F103 L104 E105 Q109 H110 M111F22-T107 HydrophobicContact CE1-CG2 4.43Å; Y40-T107 HydrophobicContact CD1-CG2 3.84Å; Y40-T107 HydrophobicContact CD2-CG2 3.99Å; Y40-T107 HydrophobicContact CE1-CG2 3.89Å; Y40-T107 HydrophobicContact CE2-CG2 4.02Å; Y40-T107 HydrophobicContact CG-CG2 3.89Å; Y45-T107 HydrophobicContact CD2-CG2 4.17Å; Y45-T107 HydrophobicContact CE2-CG2 4.13Å; F103-T107 WeakPolarHBondContact CZ-OG1 3.43Å; F103-T107 WeakPolarHBondContact O-CB 3.48Å; F103-T107 PolarHBondContact O-N 3.41Å; F103-T107 PolarHBondContact O-OG1 2.96Å; L104-T107 PolarHBondContact O-N 3.27Å; E105-T107 VanDerWaalsContact C-N 3.3Å; E105-T107 PolarHBondContact O-N 3.35Å; T107-Q109 PolarHBondContact O-N 2.94Å; T107-H110 PolarHBondContact O-N 3.44Å; T107-M111 HydrophobicContact CG2-CG 4.14Å; T107-M111 HydrophobicContact CG2-SD 3.93Å; T107-M111 WeakPolarHBondContact O-CB 3.48Å; T107-M111 VanDerWaalsContact O-CG 3.23Å; T107-M111 WeakPolarHBondContact O-CG 3.48Å; T107-M111 PolarHBondContact O-N 3.31Å
108R94.7Very high93.9Very high114 Ų11471.7 Ų71.743%0.4336%0.363SS..Hα-helixtrans-60-44.5179.6-169.1-164.266.771.64.4111.6F22 L104 E105 M111 S112F22-R108 HydrophobicContact CE1-CB 4.3Å; F22-R108 HydrophobicContact CZ-CB 3.89Å; F22-R108 HydrophobicContact CZ-CG 4.36Å; L104-R108 WeakPolarHBondContact O-CB 3.44Å; L104-R108 PolarHBondContact O-N 3.14Å; E105-R108 WeakPolarHBondContact O-CB 3.31Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 IonicContact OE1-CZ 2.59Å; E105-R108 IonicContact OE1-NE 3.63Å; E105-R108 PolarHBondContact OE1-NE 3.49Å; E105-R108 IonicContact OE1-NH2 2.71Å; E105-R108 PolarHBondContact OE1-NH2 3.27Å; E105-R108 IonicContact OE2-CZ 3.6Å; E105-R108 IonicContact OE2-NE 2.73Å; E105-R108 PolarHBondContact OE2-NE 2.95Å; E105-R108 IonicContact OE2-NH2 3.47Å; R108-M111 PolarHBondContact O-N 3.12Å; R108-S112 PolarHBondContact O-N 3.2Å
109Q94.4Very high93.7Very high81 Ų8169.9 Ų69.938%0.37935%0.346SS..Hα-helixtrans-63.2-44.2178.3-70.6179.818.600111.3E105 D106 T107 S112E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 2.76Å; E105-Q109 PolarHBondContact OE1-NE2 3.47Å; D106-Q109 PolarHBondContact O-N 2.84Å; T107-Q109 PolarHBondContact O-N 2.94Å; Q109-S112 PolarHBondContact O-N 2.78Å; Q109-S112 PolarHBondContact O-OG 2.78Å
110H92.3Very high93.4Very high85 Ų8568.8 Ų68.839%0.39434%0.341SS..Hα-helixtrans-67.1-43.7177.5-168.6-96.9000111.9Y40 D106 T107 S112 R113Y40-H110 HydrophobicContact CE1-CB 4.07Å; Y40-H110 AromaticContact CE1-ND1 3.72Å; Y40-H110 AromaticContact CZ-ND1 3.56Å; Y40-H110 WeakPolarHBondContact OH-CB 3.28Å; Y40-H110 PolarHBondContact OH-ND1 2.85Å; D106-H110 PolarHBondContact O-N 3.39Å; T107-H110 PolarHBondContact O-N 3.44Å; H110-S112 VanDerWaalsContact C-N 3.25Å; H110-S112 PolarHBondContact O-N 2.73Å; H110-R113 PolarHBondContact O-N 3.28Å; H110-R113 VanDerWaalsContact O-N 3.08Å
111M90.4Very high93.2Very high48 Ų4870 Ų7024%0.23635%0.348CS..Hα-helixtrans-58.5-35.3176.8-74.8-171.270.500113P23 Y40 T107 R108 R113 L114P23-M111 HydrophobicContact CG-CE 3.32Å; P23-M111 HydrophobicContact CG-SD 4.24Å; Y40-M111 HydrophobicContact CE2-CG 3.67Å; Y40-M111 HydrophobicContact CE2-SD 4.29Å; Y40-M111 WeakPolarHBondContact OH-CG 3.31Å; Y40-M111 PolarHBondContact OH-N 2.99Å; T107-M111 HydrophobicContact CG2-CG 4.14Å; T107-M111 HydrophobicContact CG2-SD 3.93Å; T107-M111 WeakPolarHBondContact O-CB 3.48Å; T107-M111 VanDerWaalsContact O-CG 3.23Å; T107-M111 WeakPolarHBondContact O-CG 3.48Å; T107-M111 PolarHBondContact O-N 3.31Å; R108-M111 PolarHBondContact O-N 3.12Å; M111-R113 PolarHBondContact O-N 3.43Å; M111-L114 PolarHBondContact O-N 3.24Å
112S91Very high93.2Very high88 Ų8870.1 Ų70.162%0.61535%0.345SS*.THydrogen-bonded Turntrans-63.9-19178.773.80000114.3R108 Q109 H110R108-S112 PolarHBondContact O-N 3.2Å; Q109-S112 PolarHBondContact O-N 2.78Å; Q109-S112 PolarHBondContact O-OG 2.78Å; H110-S112 VanDerWaalsContact C-N 3.25Å; H110-S112 PolarHBondContact O-N 2.73Å
113R90.6Very high93.2Very high200 Ų20063.4 Ų63.476%0.75532%0.316SS*.THydrogen-bonded Turntrans-97.4-7.8-179.8-60.4178.5-176.3168.51.5113.3H110 M111H110-R113 PolarHBondContact O-N 3.28Å; H110-R113 VanDerWaalsContact O-N 3.08Å; M111-R113 PolarHBondContact O-N 3.43Å
114L89.5Confident93.2Very high48 Ų4861.7 Ų61.725%0.25131%0.308SS..SBendtrans-69138.2179.9-67.8176.2000110.2L35 L39 M111L35-L114 HydrophobicContact CD2-CD1 4.28Å; L39-L114 HydrophobicContact CD1-CD1 4.11Å; L39-L114 HydrophobicContact CD1-CD2 4Å; M111-L114 PolarHBondContact O-N 3.24Å
115P90.8Very high93.2Very high41 Ų4161.5 Ų61.527%0.26631%0.307SS..  trans-69.2148.1177.631.5-37.1000110.8I117 L158 V160P115-I117 HydrophobicContact CG-CD1 4.3Å; P115-I117 PolarHBondContact O-N 3.3Å; P115-L158 WeakPolarHBondContact CG-O 3.38Å; P115-V160 HydrophobicContact CB-CB 4.33Å; P115-V160 HydrophobicContact CB-CG2 3.69Å; P115-V160 HydrophobicContact CG-CG2 3.98Å
116T92.1Very high93.3Very high119 Ų11958 Ų5873%0.7329%0.291SS*.  trans-80.3110.1173.652.60000109.9
117I93.2Very high93.2Very high7 Ų753.9 Ų53.94%0.03627%0.269CS..  trans-109128177.1-63.7162.2000108.5F31 Y32 P115 P119 L158 V160 I173 L200F31-I117 HydrophobicContact CE1-CB 3.98Å; F31-I117 HydrophobicContact CE1-CD1 3.94Å; F31-I117 HydrophobicContact CE1-CG2 4.05Å; F31-I117 HydrophobicContact CZ-CD1 3.73Å; F31-I117 HydrophobicContact CZ-CG2 4.44Å; Y32-I117 PolarHBondContact OH-N 3.02Å; Y32-I117 PolarHBondContact OH-O 3Å; P115-I117 HydrophobicContact CG-CD1 4.3Å; P115-I117 PolarHBondContact O-N 3.3Å; I117-P119 WeakPolarHBondContact O-CD 3.17Å; I117-L158 HydrophobicContact CD1-CD1 4.15Å; I117-V160 HydrophobicContact CD1-CG2 4.03Å; I117-V160 HydrophobicContact CG1-CG2 3.48Å; I117-V160 VanDerWaalsContact CG1-CG2 3.48Å; I117-I173 HydrophobicContact CD1-CD1 4.09Å; I117-I173 HydrophobicContact CG1-CD1 4.15Å; I117-I173 HydrophobicContact CG2-CD1 3.71Å; I117-L200 HydrophobicContact CG2-CD1 4.26Å; I117-L200 HydrophobicContact CG2-CD2 3.97Å
118D93.4Very high93.1Very high70 Ų7053.8 Ų53.837%0.37427%0.268SS..  trans-97.4108.7174-175.7-17.5000108.9D120 T121D118-D120 PolarHBondContact O-N 3.02Å; D118-D120 PolarHBondContact OD1-N 3.43Å; D118-D120 VanDerWaalsContact OD1-N 3.1Å; D118-T121 HydrophobicContact CB-CG2 3.62Å; D118-T121 PolarHBondContact O-N 2.79Å; D118-T121 PolarHBondContact O-OG1 3.23Å; D118-T121 WeakPolarHBondContact OD2-CG2 3.38Å
119P92.2Very high93.1Very high14 Ų1448.5 Ų48.59%0.09125%0.249CC..THydrogen-bonded Turntrans-64-23.7-173.927.4-35000113.7H29 I117 L200H29-P119 HydrophobicContact CB-CG 4.44Å; I117-P119 WeakPolarHBondContact O-CD 3.17Å; P119-L200 HydrophobicContact CB-CD2 3.82Å
120D90Very high93Very high109 Ų10944.8 Ų44.858%0.58323%0.232SC*.THydrogen-bonded Turntrans-90.3-16-177.4-64.8-34.1000112.3D118 R306D118-D120 PolarHBondContact O-N 3.02Å; D118-D120 PolarHBondContact OD1-N 3.43Å; D118-D120 VanDerWaalsContact OD1-N 3.1Å; D120-R306 PolarHBondContact O-NH1 3.14Å; D120-R306 PolarHBondContact O-NH2 2.91Å
121T93.1Very high93Very high40 Ų4043 Ų4325%0.24523%0.225CC..SBendtrans-77.4170-179.864.30000113.1D118 T123 Q171 R306D118-T121 HydrophobicContact CB-CG2 3.62Å; D118-T121 PolarHBondContact O-N 2.79Å; D118-T121 PolarHBondContact O-OG1 3.23Å; D118-T121 WeakPolarHBondContact OD2-CG2 3.38Å; T121-T123 PolarHBondContact O-N 3.46Å; T121-T123 PolarHBondContact O-OG1 3.17Å; T121-Q171 PolarHBondContact OG1-NE2 2.89Å; T121-Q171 VanDerWaalsContact OG1-NE2 3.16Å; T121-Q171 PolarHBondContact OG1-OE1 3.49Å; T121-R306 VanDerWaalsContact C-NH1 3.26Å; T121-R306 PolarHBondContact O-NH1 3.24Å; T121-R306 PolarHBondContact O-NH2 3Å
122R95.6Very high93.2Very high61 Ų6140.7 Ų40.723%0.2321%0.214CC..  trans-74.8108.2-178.3-62.8174-163.879.3-2.6108.6W170 Q171 L302R122-W170 HydrophobicContact CB-CD2 3.87Å; R122-W170 HydrophobicContact CB-CE3 3.58Å; R122-W170 HydrophobicContact CB-CH2 4.19Å; R122-W170 HydrophobicContact CB-CZ2 4.46Å; R122-W170 HydrophobicContact CB-CZ3 3.79Å; R122-W170 HydrophobicContact CG-CH2 4.42Å; R122-W170 HydrophobicContact CG-CZ3 4.47Å; R122-Q171 PolarHBondContact O-N 3.19Å; R122-L302 HydrophobicContact CB-CD2 4.36Å
123T96.8Very high93.2Very high1 Ų137.1 Ų37.11%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-119.4143.1-172.4-57.20000109.8T121 I125 Q171 I173 A202 A203T121-T123 PolarHBondContact O-N 3.46Å; T121-T123 PolarHBondContact O-OG1 3.17Å; T123-I125 HydrophobicContact CG2-CG1 4.19Å; T123-Q171 CarbonylContact C-O 3.54Å; T123-Q171 VanDerWaalsContact CA-O 3.31Å; T123-Q171 WeakPolarHBondContact CA-O 3.38Å; T123-Q171 HydrophobicContact CG2-CB 4.39Å; T123-I173 HydrophobicContact CG2-CD1 3.37Å; T123-I173 HydrophobicContact CG2-CG1 3.72Å; T123-A202 HydrophobicContact CG2-CB 3.97Å; T123-A202 CarbonylContact O-C 3.49Å; T123-A202 WeakPolarHBondContact O-CA 3.47Å; T123-A202 WeakPolarHBondContact O-CB 3.43Å; T123-A203 PolarHBondContact O-N 2.95Å
124I96.6Very high93.4Very high3 Ų328.1 Ų28.12%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-117.5129.2170.8-59.6177.4000106.1L126 W170 Q171 V172 I173 A203 I205I124-L126 HydrophobicContact CG2-CD2 4.41Å; I124-W170 HydrophobicContact CD1-CE3 4.13Å; I124-W170 HydrophobicContact CG1-CE3 4.06Å; I124-W170 HydrophobicContact CG1-CZ3 4.46Å; I124-Q171 PolarHBondContact N-O 2.8Å; I124-V172 HydrophobicContact CB-CG2 4.41Å; I124-V172 HydrophobicContact CD1-CG2 4.45Å; I124-V172 CarbonylContact O-C 3.53Å; I124-V172 WeakPolarHBondContact O-CA 3.49Å; I124-I173 PolarHBondContact O-N 3.06Å; I124-A203 CarbonylContact C-O 3.58Å; I124-A203 VanDerWaalsContact CA-O 3.3Å; I124-A203 WeakPolarHBondContact CA-O 3.47Å; I124-A203 HydrophobicContact CG1-CB 4.38Å; I124-I205 HydrophobicContact CG2-CD1 3.35Å; I124-I205 HydrophobicContact CG2-CG1 3.8Å
125I96.5Very high93.6Very high0 Ų026.5 Ų26.50%015%0.15CC..EExtended strand (participates in β ladder)trans-112.1128.4178-64.8174.3000108.6T123 I173 T175 L197 L200 A202 A203 I205T123-I125 HydrophobicContact CG2-CG1 4.19Å; I125-I173 HydrophobicContact CG1-CB 4.36Å; I125-T175 HydrophobicContact CG2-CG2 3.55Å; I125-L197 HydrophobicContact CB-CD2 4.32Å; I125-L197 HydrophobicContact CD1-CD2 4.43Å; I125-L197 HydrophobicContact CG2-CD2 3.67Å; I125-L197 HydrophobicContact CG2-CG 4.28Å; I125-L200 HydrophobicContact CD1-CB 3.8Å; I125-L200 HydrophobicContact CD1-CD1 3.75Å; I125-L200 HydrophobicContact CD1-CG 4.36Å; I125-L200 HydrophobicContact CG1-CD1 4.42Å; I125-A202 HydrophobicContact CD1-CB 3.62Å; I125-A202 HydrophobicContact CG1-CB 3.68Å; I125-A203 PolarHBondContact N-O 3.2Å; I125-I205 PolarHBondContact O-N 3.12Å
126L95.9Very high93.8Very high0 Ų026 Ų260%015%0.147CC..EExtended strand (participates in β ladder)trans-89.9122.8173.3-50.2-179.5000108.9I124 K134 F137 I138 V172 I173 D174 T175 I205I124-L126 HydrophobicContact CG2-CD2 4.41Å; L126-K134 HydrophobicContact CB-CB 4.26Å; L126-K134 HydrophobicContact CB-CD 4.38Å; L126-K134 HydrophobicContact CD1-CB 4.49Å; L126-K134 WeakPolarHBondContact CD1-O 3.47Å; L126-F137 HydrophobicContact CD1-CD1 3.74Å; L126-F137 HydrophobicContact CD2-CD1 3.53Å; L126-F137 HydrophobicContact CD2-CE1 3.53Å; L126-F137 HydrophobicContact CG-CD1 4.29Å; L126-I138 HydrophobicContact CD1-CB 4Å; L126-V172 HydrophobicContact CD1-CG1 4.11Å; L126-V172 HydrophobicContact CD2-CG1 4.21Å; L126-V172 HydrophobicContact CG-CG1 4.11Å; L126-I173 PolarHBondContact N-O 2.96Å; L126-D174 HydrophobicContact CD1-CB 4.39Å; L126-T175 WeakPolarHBondContact O-CB 3.47Å; L126-T175 WeakPolarHBondContact O-CG2 3.19Å; L126-T175 PolarHBondContact O-OG1 3.24Å; L126-I205 HydrophobicContact CD2-CB 4.03Å; L126-I205 HydrophobicContact CD2-CD1 4.03Å; L126-I205 HydrophobicContact CD2-CG2 4.47Å
127C94.1Very high94Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-128.1157177.9-175.40000110.2L197 V204 I205 Y206 I207C127-L197 HydrophobicContact CB-CD1 4.29Å; C127-L197 HydrophobicContact CB-CD2 4.46Å; C127-V204 HydrophobicContact CB-CG1 4.27Å; C127-I205 PolarHBondContact N-O 3.17Å; C127-Y206 HydrophobicContact CB-CD2 4.36Å; C127-Y206 CarbonylContact O-C 3.54Å; C127-Y206 WeakPolarHBondContact O-CA 3.45Å; C127-I207 PolarHBondContact O-N 3.21Å
128G92.8Very high94.1Very high0 Ų020 Ų200%011%0.111CC..  trans147.2175.3179.100000112K134 V178G128-K134 PolarHBondContact O-NZ 3.37Å; G128-V178 PolarHBondContact O-N 2.77Å
129F93.4Very high94.1Very high3 Ų319 Ų191%0.01311%0.105CC..SBendtrans-59.4160177.1-86.7-85.2000112.6V132 K134 L179 N180 Y216 Q220 Q221 L224F129-V132 HydrophobicContact CB-CG1 3.76Å; F129-V132 WeakPolarHBondContact O-CG1 3.4Å; F129-V132 VanDerWaalsContact O-CG2 3.23Å; F129-V132 WeakPolarHBondContact O-CG2 3.47Å; F129-K134 PolarHBondContact O-NZ 3.16Å; F129-L179 HydrophobicContact CD1-CD2 3.93Å; F129-L179 HydrophobicContact CE1-CD2 4.03Å; F129-N180 HydrophobicContact CZ-CB 4.37Å; F129-Y216 HydrophobicContact CB-CD2 4.23Å; F129-Y216 HydrophobicContact CD1-CD1 4.07Å; F129-Y216 AromaticContact CD1-CD2 3.39Å; F129-Y216 HydrophobicContact CD1-CD2 3.39Å; F129-Y216 HydrophobicContact CD1-CE1 4.26Å; F129-Y216 AromaticContact CD1-CE2 3.6Å; F129-Y216 HydrophobicContact CD1-CE2 3.6Å; F129-Y216 AromaticContact CD1-CG 3.64Å; F129-Y216 HydrophobicContact CD1-CG 3.64Å; F129-Y216 AromaticContact CE1-CD1 3.73Å; F129-Y216 HydrophobicContact CE1-CD1 3.73Å; F129-Y216 AromaticContact CE1-CD2 3.95Å; F129-Y216 HydrophobicContact CE1-CD2 3.95Å; F129-Y216 AromaticContact CE1-CE1 3.93Å; F129-Y216 HydrophobicContact CE1-CE1 3.93Å; F129-Y216 HydrophobicContact CE1-CE2 4.13Å; F129-Y216 AromaticContact CE1-CG 3.75Å; F129-Y216 HydrophobicContact CE1-CG 3.75Å; F129-Y216 AromaticContact CG-CD2 3.99Å; F129-Y216 HydrophobicContact CG-CD2 3.99Å; F129-Y216 HydrophobicContact CG-CG 4.26Å; F129-Y216 HydrophobicContact CZ-CD1 4.44Å; F129-Y216 HydrophobicContact CZ-CG 4.45Å; F129-Q220 WeakPolarHBondContact CE2-O 3.38Å; F129-Q221 HydrophobicContact CD2-CB 4.31Å; F129-Q221 HydrophobicContact CD2-CG 3.76Å; F129-Q221 HydrophobicContact CE2-CB 4.34Å; F129-Q221 HydrophobicContact CE2-CG 4.09Å; F129-L224 HydrophobicContact CD1-CD2 4.44Å; F129-L224 HydrophobicContact CD2-CB 4.36Å; F129-L224 HydrophobicContact CD2-CD2 3.51Å; F129-L224 HydrophobicContact CE1-CD2 4.3Å; F129-L224 HydrophobicContact CE2-CB 3.4Å; F129-L224 HydrophobicContact CE2-CD2 3.29Å; F129-L224 HydrophobicContact CE2-CG 3.95Å; F129-L224 HydrophobicContact CG-CD2 4.11Å; F129-L224 HydrophobicContact CZ-CB 3.77Å; F129-L224 HydrophobicContact CZ-CD2 3.75Å; F129-L224 HydrophobicContact CZ-CG 4.3Å
130P92.8Very high94.2Very high4 Ų423.3 Ų23.33%0.02612%0.122CC..THydrogen-bonded Turntrans-53.3153166.4-23.434.5000111.7V132 P152 F153 L179P130-V132 PolarHBondContact O-N 3.14Å; P130-P152 HydrophobicContact CB-CB 3.66Å; P130-P152 HydrophobicContact CG-CB 4.34Å; P130-F153 HydrophobicContact CG-CE1 4.43Å; P130-F153 HydrophobicContact CG-CE2 4.44Å; P130-F153 HydrophobicContact CG-CZ 4.24Å; P130-L179 HydrophobicContact CG-CD2 3.95Å
131N93Very high94.4Very high46 Ų4619.1 Ų19.125%0.24610%0.1CC..THydrogen-bonded Turntrans618.3173.9-62.4-7.3000118.1G133 P150 F151 C214 K243N131-G133 PolarHBondContact O-N 3.15Å; N131-P150 PolarHBondContact ND2-O 3.19Å; N131-F151 PolarHBondContact OD1-O 2.91Å; N131-C214 HydrophobicContact CB-CB 4.34Å; N131-K243 PolarHBondContact O-NZ 3.38Å
132V93.7Very high94.5Very high0 Ų017.8 Ų17.80%09%0.092CC..SBendtrans-74.3-11.6174.3-57.10000113.8F129 P130 K134 I207 D209 C214 N242F129-V132 HydrophobicContact CB-CG1 3.76Å; F129-V132 WeakPolarHBondContact O-CG1 3.4Å; F129-V132 VanDerWaalsContact O-CG2 3.23Å; F129-V132 WeakPolarHBondContact O-CG2 3.47Å; P130-V132 PolarHBondContact O-N 3.14Å; V132-K134 HydrophobicContact CG2-CD 4.34Å; V132-K134 HydrophobicContact CG2-CG 3.63Å; V132-I207 HydrophobicContact CB-CG2 4.12Å; V132-I207 HydrophobicContact CG2-CB 3.92Å; V132-I207 HydrophobicContact CG2-CG2 3.81Å; V132-D209 HydrophobicContact CB-CB 4.24Å; V132-D209 HydrophobicContact CG1-CB 4.06Å; V132-C214 HydrophobicContact CG1-CB 3.94Å; V132-N242 PolarHBondContact O-ND2 2.82Å
133G92.4Very high94.3Very high13 Ų1327 Ų2713%0.13413%0.127CC..SBendtrans100.723.4178.300000116.3N131 S136 F137N131-G133 PolarHBondContact O-N 3.15Å; G133-S136 PolarHBondContact O-N 3.33Å; G133-F137 PolarHBondContact O-N 2.59Å
134K93.7Very high94Very high11 Ų1128.1 Ų28.15%0.04814%0.136CC..Hα-helixtrans-58.5-49.3176.3-54.6-172.8-67-78.90113.2L126 G128 F129 V132 S136 F137 I138 D174 T175 I207L126-K134 HydrophobicContact CB-CB 4.26Å; L126-K134 HydrophobicContact CB-CD 4.38Å; L126-K134 HydrophobicContact CD1-CB 4.49Å; L126-K134 WeakPolarHBondContact CD1-O 3.47Å; G128-K134 PolarHBondContact O-NZ 3.37Å; F129-K134 PolarHBondContact O-NZ 3.16Å; V132-K134 HydrophobicContact CG2-CD 4.34Å; V132-K134 HydrophobicContact CG2-CG 3.63Å; K134-S136 VanDerWaalsContact C-N 3.3Å; K134-S136 PolarHBondContact O-N 3.44Å; K134-F137 WeakPolarHBondContact O-CB 3.3Å; K134-F137 PolarHBondContact O-N 2.97Å; K134-F137 VanDerWaalsContact O-N 3.12Å; K134-I138 PolarHBondContact O-N 3.24Å; K134-I138 VanDerWaalsContact O-N 3.11Å; K134-D174 VanDerWaalsContact CB-OD1 3.28Å; K134-D174 WeakPolarHBondContact CB-OD1 3.33Å; K134-T175 WeakPolarHBondContact CE-O 3.39Å; K134-I207 HydrophobicContact CB-CD1 4.33Å; K134-I207 HydrophobicContact CG-CB 4.34Å; K134-I207 HydrophobicContact CG-CD1 4.04Å; K134-I207 HydrophobicContact CG-CG1 4.44Å
135S94.4Very high93.8Very high15 Ų1534.9 Ų34.911%0.10517%0.172CC..Hα-helixtrans-67.1-31178.8-480000112.3I138 N139 T155 D174S135-I138 WeakPolarHBondContact O-CG2 3.5Å; S135-N139 VanDerWaalsContact O-CG 3.29Å; S135-N139 PolarHBondContact O-N 3.22Å; S135-N139 PolarHBondContact O-OD1 2.94Å; S135-T155 VanDerWaalsContact OG-CG2 3.3Å; S135-T155 WeakPolarHBondContact OG-CG2 3.45Å; S135-D174 WeakPolarHBondContact CA-OD2 3.05Å; S135-D174 WeakPolarHBondContact CB-OD2 3.48Å; S135-D174 PolarHBondContact OG-OD2 3.33Å
136S94.1Very high93.7Very high29 Ų2935 Ų3520%0.20317%0.173CC..Hα-helixtrans-67.9-38.9171.2-51.40000112G133 K134 N139 K140 V148G133-S136 PolarHBondContact O-N 3.33Å; K134-S136 VanDerWaalsContact C-N 3.3Å; K134-S136 PolarHBondContact O-N 3.44Å; S136-N139 PolarHBondContact O-N 3.24Å; S136-K140 WeakPolarHBondContact O-CG 3.46Å; S136-K140 PolarHBondContact O-N 3.09Å; S136-K140 VanDerWaalsContact O-N 3.17Å; S136-V148 WeakPolarHBondContact OG-CG1 3.4Å
137F95.4Very high93.5Very high2 Ų240.7 Ų40.71%0.00920%0.203CC..Hα-helixtrans-63.5-44.6177.4-179.4-100.5000112.3L126 G133 K134 N139 K140 I141 I205 I207 M283 T285 L291 V294L126-F137 HydrophobicContact CD1-CD1 3.74Å; L126-F137 HydrophobicContact CD2-CD1 3.53Å; L126-F137 HydrophobicContact CD2-CE1 3.53Å; L126-F137 HydrophobicContact CG-CD1 4.29Å; G133-F137 PolarHBondContact O-N 2.59Å; K134-F137 WeakPolarHBondContact O-CB 3.3Å; K134-F137 PolarHBondContact O-N 2.97Å; K134-F137 VanDerWaalsContact O-N 3.12Å; F137-N139 PolarHBondContact O-N 3.5Å; F137-K140 PolarHBondContact O-N 3.48Å; F137-I141 HydrophobicContact CD1-CD1 3.83Å; F137-I141 HydrophobicContact CD2-CD1 3.76Å; F137-I141 HydrophobicContact CE1-CD1 3.31Å; F137-I141 HydrophobicContact CE2-CD1 3.25Å; F137-I141 HydrophobicContact CE2-CG1 4.47Å; F137-I141 HydrophobicContact CG-CD1 4.07Å; F137-I141 HydrophobicContact CZ-CD1 3.01Å; F137-I141 HydrophobicContact CZ-CG1 4.46Å; F137-I141 PolarHBondContact O-N 3.27Å; F137-I205 HydrophobicContact CE1-CD1 3.88Å; F137-I205 HydrophobicContact CZ-CD1 3.98Å; F137-I207 HydrophobicContact CB-CD1 4.1Å; F137-I207 HydrophobicContact CD1-CD1 4.43Å; F137-I207 HydrophobicContact CG-CD1 4.22Å; F137-M283 HydrophobicContact CB-CE 4.35Å; F137-M283 HydrophobicContact CD2-CE 3.32Å; F137-M283 HydrophobicContact CD2-SD 3.71Å; F137-M283 HydrophobicContact CE2-CE 3.87Å; F137-M283 HydrophobicContact CE2-SD 3.59Å; F137-M283 VanDerWaalsContact CE2-SD 3.59Å; F137-M283 HydrophobicContact CG-CE 4.2Å; F137-T285 HydrophobicContact CB-CG2 4.33Å; F137-L291 HydrophobicContact CD2-CD2 3.54Å; F137-L291 HydrophobicContact CE2-CD2 3.85Å; F137-V294 HydrophobicContact CE2-CB 4.29Å; F137-V294 HydrophobicContact CE2-CG1 4.09Å; F137-V294 HydrophobicContact CZ-CB 4.26Å; F137-V294 HydrophobicContact CZ-CG1 3.71Å
138I95.3Very high93.5Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-64-40.3178.1-171168.6000112.1L126 K134 S135 K140 I141 T142 A144 V146 V172 D174L126-I138 HydrophobicContact CD1-CB 4Å; K134-I138 PolarHBondContact O-N 3.24Å; K134-I138 VanDerWaalsContact O-N 3.11Å; S135-I138 WeakPolarHBondContact O-CG2 3.5Å; I138-K140 VanDerWaalsContact C-N 3.28Å; I138-K140 PolarHBondContact O-N 3.21Å; I138-I141 PolarHBondContact O-N 3.44Å; I138-T142 HydrophobicContact CG1-CG2 4.21Å; I138-T142 WeakPolarHBondContact CG1-OG1 3.47Å; I138-T142 WeakPolarHBondContact O-CB 3.36Å; I138-T142 PolarHBondContact O-N 2.99Å; I138-T142 PolarHBondContact O-OG1 3.4Å; I138-A144 HydrophobicContact CD1-CB 4.49Å; I138-A144 HydrophobicContact CG1-CB 4.3Å; I138-V146 HydrophobicContact CG2-CB 4.28Å; I138-V146 HydrophobicContact CG2-CG2 3.86Å; I138-V172 HydrophobicContact CD1-CB 4.49Å; I138-V172 HydrophobicContact CD1-CG1 4.28Å; I138-V172 WeakPolarHBondContact CD1-O 3.37Å; I138-V172 HydrophobicContact CG1-CG1 4.2Å; I138-D174 HydrophobicContact CD1-CB 3.82Å; I138-D174 HydrophobicContact CG2-CB 4.14Å
139N94.9Very high93.5Very high47 Ų4748.7 Ų48.725%0.25125%0.245SC..Hα-helixtrans-66.3-29177.4-68.6-2.5000112.6S135 S136 F137 A144 V146S135-N139 VanDerWaalsContact O-CG 3.29Å; S135-N139 PolarHBondContact O-N 3.22Å; S135-N139 PolarHBondContact O-OD1 2.94Å; S136-N139 PolarHBondContact O-N 3.24Å; F137-N139 PolarHBondContact O-N 3.5Å; N139-A144 PolarHBondContact OD1-O 3.47Å; N139-A144 VanDerWaalsContact OD1-O 3.04Å; N139-V146 PolarHBondContact ND2-O 3.47Å; N139-V146 WeakPolarHBondContact OD1-CB 3.34Å; N139-V146 PolarHBondContact OD1-N 2.85Å
140K94.3Very high93.3Very high105 Ų10553.9 Ų53.946%0.45728%0.279SS..Hα-helixtrans-81.5-31.1177.5-70.4-66.6-170.3169.90113.3S136 F137 I138 T285 E288 L291S136-K140 WeakPolarHBondContact O-CG 3.46Å; S136-K140 PolarHBondContact O-N 3.09Å; S136-K140 VanDerWaalsContact O-N 3.17Å; F137-K140 PolarHBondContact O-N 3.48Å; I138-K140 VanDerWaalsContact C-N 3.28Å; I138-K140 PolarHBondContact O-N 3.21Å; K140-T285 WeakPolarHBondContact CE-O 3.41Å; K140-E288 IonicContact NZ-OE1 3.87Å; K140-E288 PolarHBondContact NZ-OE1 2.9Å; K140-L291 HydrophobicContact CB-CD1 3.87Å; K140-L291 HydrophobicContact CG-CD1 4.3Å
141I93.7Very high93.2Very high22 Ų2259.2 Ų59.211%0.11330%0.302CS..Hα-helixtrans-92.4-29.4-177.9-75.5172.4000113.1F137 I138 T163 R295F137-I141 HydrophobicContact CD1-CD1 3.83Å; F137-I141 HydrophobicContact CD2-CD1 3.76Å; F137-I141 HydrophobicContact CE1-CD1 3.31Å; F137-I141 HydrophobicContact CE2-CD1 3.25Å; F137-I141 HydrophobicContact CE2-CG1 4.47Å; F137-I141 HydrophobicContact CG-CD1 4.07Å; F137-I141 HydrophobicContact CZ-CD1 3.01Å; F137-I141 HydrophobicContact CZ-CG1 4.46Å; F137-I141 PolarHBondContact O-N 3.27Å; I138-I141 PolarHBondContact O-N 3.44Å; I141-T163 HydrophobicContact CG2-CG2 4.24Å; I141-R295 HydrophobicContact CD1-CB 4.3Å
142T94.4Very high93Very high12 Ų1260.3 Ų60.37%0.07431%0.312CS..SBendtrans-121.5172.1-176.675.10000110.2I138 A144 H162 V172I138-T142 HydrophobicContact CG1-CG2 4.21Å; I138-T142 WeakPolarHBondContact CG1-OG1 3.47Å; I138-T142 WeakPolarHBondContact O-CB 3.36Å; I138-T142 PolarHBondContact O-N 2.99Å; I138-T142 PolarHBondContact O-OG1 3.4Å; T142-A144 PolarHBondContact O-N 3.44Å; T142-A144 WeakPolarHBondContact OG1-CB 3.2Å; T142-A144 PolarHBondContact OG1-N 2.86Å; T142-H162 WeakPolarHBondContact CB-O 3.32Å; T142-V172 HydrophobicContact CG2-CB 4.02Å; T142-V172 HydrophobicContact CG2-CG2 3.86Å
143R92.6Very high92.6Very high254 Ų25463.1 Ų63.196%0.95832%0.324SS*.SBendtrans-87.413.9171.5-60.4-177.5179.7-169.7-2.3113
144A91.1Very high92.5Very high24 Ų2464.2 Ų64.220%0.19833%0.328CS..  trans-70.3146175.800000109.9I138 N139 T142 V146I138-A144 HydrophobicContact CD1-CB 4.49Å; I138-A144 HydrophobicContact CG1-CB 4.3Å; N139-A144 PolarHBondContact OD1-O 3.47Å; N139-A144 VanDerWaalsContact OD1-O 3.04Å; T142-A144 PolarHBondContact O-N 3.44Å; T142-A144 WeakPolarHBondContact OG1-CB 3.2Å; T142-A144 PolarHBondContact OG1-N 2.86Å; A144-V146 HydrophobicContact CB-CG2 4.42Å
145D92Very high92.3Very high146 Ų14664.2 Ų64.278%0.78133%0.329SS*.  trans-114.289.6176.5-167.717.4000108.3
146V93.3Very high92.1Very high3 Ų370 Ų702%0.01835%0.352CS..  trans-101.1128.6177.1-174.90000108.6I138 N139 A144 V148 T155 F159I138-V146 HydrophobicContact CG2-CB 4.28Å; I138-V146 HydrophobicContact CG2-CG2 3.86Å; N139-V146 PolarHBondContact ND2-O 3.47Å; N139-V146 WeakPolarHBondContact OD1-CB 3.34Å; N139-V146 PolarHBondContact OD1-N 2.85Å; A144-V146 HydrophobicContact CB-CG2 4.42Å; V146-V148 PolarHBondContact O-N 2.71Å; V146-T155 HydrophobicContact CG1-CG2 3.39Å; V146-F159 HydrophobicContact CG1-CD2 4.09Å; V146-F159 HydrophobicContact CG1-CE2 4.39Å; V146-F159 HydrophobicContact CG1-CG 4.37Å; V146-F159 HydrophobicContact CG2-CB 3.89Å; V146-F159 HydrophobicContact CG2-CD1 4.35Å; V146-F159 HydrophobicContact CG2-CG 4.03Å
147D93.1Very high92Very high119 Ų11970.9 Ų70.964%0.63636%0.358SS*.  trans-58.6127.8177.4-70.7-30.4000111.2T154D147-T154 HydrophobicContact CB-CG2 4.29Å; D147-T154 VanDerWaalsContact O-CG2 3.27Å; D147-T154 WeakPolarHBondContact O-CG2 3.33Å
148V92.5Very high91.8Very high68 Ų6871.3 Ų71.341%0.41236%0.361SS..  trans-112.8119.2175.1-178.10000108.5S136 V146S136-V148 WeakPolarHBondContact OG-CG1 3.4Å; V146-V148 PolarHBondContact O-N 2.71Å
149Q92.7Very high91.8Very high99 Ų9975 Ų7546%0.46338%0.377SS..  trans-134.4154.2177.2-63-67-3000110.1F151 T154Q149-F151 VanDerWaalsContact C-N 3.26Å; Q149-F151 HydrophobicContact CB-CD1 3.83Å; Q149-F151 HydrophobicContact CB-CD2 4.49Å; Q149-F151 HydrophobicContact CB-CE1 3.36Å; Q149-F151 HydrophobicContact CB-CE2 4.09Å; Q149-F151 HydrophobicContact CB-CG 4.38Å; Q149-F151 HydrophobicContact CB-CZ 3.51Å; Q149-F151 HydrophobicContact CG-CE1 3.76Å; Q149-F151 HydrophobicContact CG-CZ 3.7Å; Q149-F151 PolarHBondContact O-N 3.12Å; Q149-T154 HydrophobicContact CB-CG2 3.85Å; Q149-T154 WeakPolarHBondContact CB-OG1 3.49Å; Q149-T154 HydrophobicContact CG-CG2 3.97Å; Q149-T154 PolarHBondContact O-OG1 3.3Å
150P90.1Very high91.8Very high113 Ų11374.2 Ų74.273%0.73437%0.374SS*.SBendtrans-76.7-7.9-17530.5-36000113.9N131N131-P150 PolarHBondContact ND2-O 3.19Å
151F90.8Very high91.8Very high116 Ų11669.3 Ų69.351%0.50935%0.353SS..SBendtrans-91.2147.2177.554.3-99.7000111.8N131 Q149 T154N131-F151 PolarHBondContact OD1-O 2.91Å; Q149-F151 VanDerWaalsContact C-N 3.26Å; Q149-F151 HydrophobicContact CB-CD1 3.83Å; Q149-F151 HydrophobicContact CB-CD2 4.49Å; Q149-F151 HydrophobicContact CB-CE1 3.36Å; Q149-F151 HydrophobicContact CB-CE2 4.09Å; Q149-F151 HydrophobicContact CB-CG 4.38Å; Q149-F151 HydrophobicContact CB-CZ 3.51Å; Q149-F151 HydrophobicContact CG-CE1 3.76Å; Q149-F151 HydrophobicContact CG-CZ 3.7Å; Q149-F151 PolarHBondContact O-N 3.12Å; F151-T154 PolarHBondContact O-OG1 3.15Å
152P87.8Confident91.9Very high69 Ų6972.9 Ų72.945%0.44837%0.369SS..THydrogen-bonded Turntrans-66157.4-177.229.1-36.2000111.9P130 T154P130-P152 HydrophobicContact CB-CB 3.66Å; P130-P152 HydrophobicContact CG-CB 4.34Å; P152-T154 VanDerWaalsContact C-N 3.27Å; P152-T154 PolarHBondContact O-N 3.1Å
153F87.1Confident91.9Very high58 Ų5872.9 Ų72.925%0.25437%0.369SS..THydrogen-bonded Turntrans58.334.6-179.7-54.8-78.2000114.6P130 T155 G177 L179 E190P130-F153 HydrophobicContact CG-CE1 4.43Å; P130-F153 HydrophobicContact CG-CE2 4.44Å; P130-F153 HydrophobicContact CG-CZ 4.24Å; F153-T155 VanDerWaalsContact C-N 3.33Å; F153-G177 WeakPolarHBondContact CE1-O 3.47Å; F153-L179 HydrophobicContact CE2-CD1 4.23Å; F153-L179 HydrophobicContact CZ-CD1 3.73Å; F153-L179 HydrophobicContact CZ-CG 3.95Å; F153-E190 HydrophobicContact CE1-CG 4.3Å
154T89.5Confident92.1Very high36 Ų3666 Ų6622%0.22135%0.351CS..  trans-57-47.5168.9-61.30000110.6D147 Q149 F151 P152D147-T154 HydrophobicContact CB-CG2 4.29Å; D147-T154 VanDerWaalsContact O-CG2 3.27Å; D147-T154 WeakPolarHBondContact O-CG2 3.33Å; Q149-T154 HydrophobicContact CB-CG2 3.85Å; Q149-T154 WeakPolarHBondContact CB-OG1 3.49Å; Q149-T154 HydrophobicContact CG-CG2 3.97Å; Q149-T154 PolarHBondContact O-OG1 3.3Å; F151-T154 PolarHBondContact O-OG1 3.15Å; P152-T154 VanDerWaalsContact C-N 3.27Å; P152-T154 PolarHBondContact O-N 3.1Å
155T88.6Confident92.3Very high11 Ų1166.5 Ų66.57%0.06735%0.348CS..  trans-89.1116.8172.348.30000111.3S135 V146 F153 F159 P176S135-T155 VanDerWaalsContact OG-CG2 3.3Å; S135-T155 WeakPolarHBondContact OG-CG2 3.45Å; V146-T155 HydrophobicContact CG1-CG2 3.39Å; F153-T155 VanDerWaalsContact C-N 3.33Å; T155-F159 HydrophobicContact CG2-CD2 4.09Å; T155-F159 HydrophobicContact CG2-CE2 4.07Å; T155-P176 WeakPolarHBondContact O-CB 3.43Å
156K90.2Very high92.4Very high137 Ų13765 Ų6560%0.59634%0.335SS*.  trans-104.7-11-179.5-61.2-176.8-179.31760113.9I189K156-I189 HydrophobicContact CB-CD1 4.17Å; K156-I189 HydrophobicContact CD-CD1 4.35Å; K156-I189 HydrophobicContact CG-CD1 4.11Å
157S91.8Very high92.5Very high47 Ų4773 Ų7333%0.32938%0.377SS..SBendtrans-130.5163.6-179.453.30000110.3F159S157-F159 WeakPolarHBondContact O-CD2 3.32Å; S157-F159 WeakPolarHBondContact OG-CE2 3.47Å
158L92.9Very high92.6Very high11 Ų1169.9 Ų69.96%0.05836%0.361CS..  trans-67.5132.2169.6-59.7175.4000109.2F31 L35 P115 I117 I173 D174 T175 A196F31-L158 HydrophobicContact CE2-CD1 4.46Å; F31-L158 HydrophobicContact CZ-CD1 4.11Å; L35-L158 HydrophobicContact CD1-CD1 4.32Å; P115-L158 WeakPolarHBondContact CG-O 3.38Å; I117-L158 HydrophobicContact CD1-CD1 4.15Å; L158-I173 HydrophobicContact CB-CG2 4.27Å; L158-I173 HydrophobicContact CD2-CG2 4.12Å; L158-D174 WeakPolarHBondContact CA-O 3.43Å; L158-T175 HydrophobicContact CD2-CG2 3.74Å; L158-A196 HydrophobicContact CD1-CB 4.07Å; L158-A196 HydrophobicContact CD2-CB 4.15Å
159F94Very high92.7Very high77 Ų7775.3 Ų75.334%0.33837%0.374SS..EExtended strand (participates in β ladder)trans-114.8144.3171-73.9-85000109.7V146 T155 S157 I173 D174V146-F159 HydrophobicContact CG1-CD2 4.09Å; V146-F159 HydrophobicContact CG1-CE2 4.39Å; V146-F159 HydrophobicContact CG1-CG 4.37Å; V146-F159 HydrophobicContact CG2-CB 3.89Å; V146-F159 HydrophobicContact CG2-CD1 4.35Å; V146-F159 HydrophobicContact CG2-CG 4.03Å; T155-F159 HydrophobicContact CG2-CD2 4.09Å; T155-F159 HydrophobicContact CG2-CE2 4.07Å; S157-F159 WeakPolarHBondContact O-CD2 3.32Å; S157-F159 WeakPolarHBondContact OG-CE2 3.47Å; F159-I173 CarbonylContact O-C 3.51Å; F159-I173 VanDerWaalsContact O-CA 3.27Å; F159-I173 WeakPolarHBondContact O-CA 3.49Å; F159-D174 HydrophobicContact CB-CB 4.32Å; F159-D174 PolarHBondContact N-O 2.96Å; F159-D174 VanDerWaalsContact N-O 3.11Å; F159-D174 PolarHBondContact O-N 3.45Å
160V95.3Very high92.9Very high31 Ų3170.6 Ų70.619%0.18835%0.352CS..EExtended strand (participates in β ladder)trans-119.8122.8-178.2-175.10000109.2P115 I117 Q171 V172 I173P115-V160 HydrophobicContact CB-CB 4.33Å; P115-V160 HydrophobicContact CB-CG2 3.69Å; P115-V160 HydrophobicContact CG-CG2 3.98Å; I117-V160 HydrophobicContact CD1-CG2 4.03Å; I117-V160 HydrophobicContact CG1-CG2 3.48Å; I117-V160 VanDerWaalsContact CG1-CG2 3.48Å; V160-Q171 HydrophobicContact CG1-CB 4.31Å; V160-V172 CarbonylContact C-O 3.6Å; V160-V172 WeakPolarHBondContact CA-O 3.47Å; V160-I173 HydrophobicContact CG2-CG1 4.29Å
161G95Very high93.2Very high2 Ų266.3 Ų66.32%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-108.9151.1167.700000110.4Q171 V172G161-Q171 CarbonylContact O-C 3.54Å; G161-V172 PolarHBondContact N-O 2.73Å; G161-V172 PolarHBondContact O-N 3.31Å
162H95.9Very high93.4Very high98 Ų9860.9 Ų60.945%0.45430%0.298SS..EExtended strand (participates in β ladder)trans-109.9137.6173.8-64.4-58.6000110.4T142 W170T142-H162 WeakPolarHBondContact CB-O 3.32Å; H162-W170 WeakPolarHBondContact CA-O 3.42Å
163T94.7Very high93.8Very high11 Ų1157.6 Ų57.67%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-134.3150172.5-177.60000109.6I141 W170 V172I141-T163 HydrophobicContact CG2-CG2 4.24Å; T163-W170 HydrophobicContact CG2-CB 3.82Å; T163-W170 PolarHBondContact N-O 3.46Å; T163-W170 VanDerWaalsContact N-O 3.13Å; T163-W170 WeakPolarHBondContact O-CB 3.46Å; T163-W170 PolarHBondContact O-N 3.19Å; T163-V172 HydrophobicContact CG2-CG2 3.79Å
164D95.6Very high94.2Very high109 Ų10954.8 Ų54.858%0.58327%0.265SS*.EExtended strand (participates in β ladder)trans-101.6134.5172.5-65.8-36.3000110L168D164-L168 WeakPolarHBondContact CA-O 3.43Å
165Y95.4Very high94.4Very high36 Ų3653.1 Ų53.114%0.14125%0.254CS..EExtended strand (participates in β ladder)trans-150.9131.6176.2177.7-100.6000110.1N167 L168 W170 S296 C299 D300Y165-N167 VanDerWaalsContact C-N 3.27Å; Y165-N167 PolarHBondContact O-N 3.43Å; Y165-L168 PolarHBondContact N-O 2.83Å; Y165-L168 WeakPolarHBondContact O-CB 3.42Å; Y165-L168 PolarHBondContact O-N 3.13Å; Y165-W170 HydrophobicContact CD1-CZ2 4.44Å; Y165-W170 PolarHBondContact O-NE1 3.07Å; Y165-S296 WeakPolarHBondContact OH-CB 3.35Å; Y165-C299 HydrophobicContact CD1-CB 3.26Å; Y165-C299 HydrophobicContact CE1-CB 3.26Å; Y165-C299 HydrophobicContact CG-CB 4.14Å; Y165-D300 WeakPolarHBondContact CE1-OD1 3.3Å; Y165-D300 VanDerWaalsContact OH-CG 3.3Å; Y165-D300 PolarHBondContact OH-OD1 2.95Å; Y165-D300 PolarHBondContact OH-OD2 3.47Å
166K94.7Very high94.5Very high115 Ų11552.6 Ų52.650%0.525%0.251SS..THydrogen-bonded Turntrans50.343.6-172.4-70-178.1173.6171.60113.1L168 D300 L303K166-L168 PolarHBondContact O-N 3.36Å; K166-L168 VanDerWaalsContact O-N 3.16Å; K166-D300 VanDerWaalsContact CE-OD1 3.27Å; K166-D300 WeakPolarHBondContact CE-OD1 3.49Å; K166-D300 IonicContact NZ-OD1 3.72Å; K166-D300 PolarHBondContact NZ-OD1 2.84Å; K166-D300 IonicContact NZ-OD2 3.3Å; K166-D300 PolarHBondContact NZ-OD2 3.08Å; K166-L303 HydrophobicContact CD-CD1 4.12Å
167N94.2Very high94.3Very high170 Ų17046.2 Ų46.291%0.90922%0.224SC*.THydrogen-bonded Turntrans57.922.2-177.3-56.5-26.9000114.4Y165Y165-N167 VanDerWaalsContact C-N 3.27Å; Y165-N167 PolarHBondContact O-N 3.43Å
168L94.8Very high94.1Very high54 Ų5444 Ų4428%0.28321%0.209SC..EExtended strand (participates in β ladder)trans-118143.5175.9-61.9170.2000108.8D164 Y165 K166 L303D164-L168 WeakPolarHBondContact CA-O 3.43Å; Y165-L168 PolarHBondContact N-O 2.83Å; Y165-L168 WeakPolarHBondContact O-CB 3.42Å; Y165-L168 PolarHBondContact O-N 3.13Å; K166-L168 PolarHBondContact O-N 3.36Å; K166-L168 VanDerWaalsContact O-N 3.16Å; L168-L303 HydrophobicContact CD1-CD1 4.42Å; L168-L303 HydrophobicContact CD1-CD2 3.79Å
169R95.5Very high93.8Very high182 Ų18244 Ų4469%0.68721%0.208SC*.EExtended strand (participates in β ladder)trans-82.2133.5173.1-169.8176.9-67.8168.8-1.2110.1
170W96.6Very high93.3Very high0 Ų043.2 Ų43.20%021%0.208CC..EExtended strand (participates in β ladder)trans-120.9148.2178.7-64.878000110.5R122 I124 H162 T163 Y165 C299 L302 L303R122-W170 HydrophobicContact CB-CD2 3.87Å; R122-W170 HydrophobicContact CB-CE3 3.58Å; R122-W170 HydrophobicContact CB-CH2 4.19Å; R122-W170 HydrophobicContact CB-CZ2 4.46Å; R122-W170 HydrophobicContact CB-CZ3 3.79Å; R122-W170 HydrophobicContact CG-CH2 4.42Å; R122-W170 HydrophobicContact CG-CZ3 4.47Å; I124-W170 HydrophobicContact CD1-CE3 4.13Å; I124-W170 HydrophobicContact CG1-CE3 4.06Å; I124-W170 HydrophobicContact CG1-CZ3 4.46Å; H162-W170 WeakPolarHBondContact CA-O 3.42Å; T163-W170 HydrophobicContact CG2-CB 3.82Å; T163-W170 PolarHBondContact N-O 3.46Å; T163-W170 VanDerWaalsContact N-O 3.13Å; T163-W170 WeakPolarHBondContact O-CB 3.46Å; T163-W170 PolarHBondContact O-N 3.19Å; Y165-W170 HydrophobicContact CD1-CZ2 4.44Å; Y165-W170 PolarHBondContact O-NE1 3.07Å; W170-C299 HydrophobicContact CH2-CB 3.74Å; W170-C299 VanDerWaalsContact CH2-O 3.26Å; W170-C299 WeakPolarHBondContact CH2-O 3.33Å; W170-C299 HydrophobicContact CZ2-CB 3.77Å; W170-C299 HydrophobicContact CZ3-CB 4.13Å; W170-L302 HydrophobicContact CE3-CD2 4.42Å; W170-L302 HydrophobicContact CH2-CB 4.16Å; W170-L302 HydrophobicContact CH2-CD2 4.16Å; W170-L302 HydrophobicContact CZ3-CB 4.12Å; W170-L302 HydrophobicContact CZ3-CD2 3.52Å; W170-L302 HydrophobicContact CZ3-CG 4.32Å; W170-L303 HydrophobicContact CH2-CD1 4.47Å; W170-L303 HydrophobicContact CH2-CD2 4.08Å; W170-L303 HydrophobicContact CH2-CG 3.78Å; W170-L303 HydrophobicContact CZ2-CD1 3.9Å; W170-L303 HydrophobicContact CZ2-CD2 3.78Å; W170-L303 HydrophobicContact CZ2-CG 3.61Å
171Q96.1Very high92.6Very high22 Ų2247.3 Ų47.310%0.10322%0.22CC..EExtended strand (participates in β ladder)trans-103.4129.4170.8-53-170.4-6.400108.2T121 R122 T123 I124 V160 G161T121-Q171 PolarHBondContact OG1-NE2 2.89Å; T121-Q171 VanDerWaalsContact OG1-NE2 3.16Å; T121-Q171 PolarHBondContact OG1-OE1 3.49Å; R122-Q171 PolarHBondContact O-N 3.19Å; T123-Q171 CarbonylContact C-O 3.54Å; T123-Q171 VanDerWaalsContact CA-O 3.31Å; T123-Q171 WeakPolarHBondContact CA-O 3.38Å; T123-Q171 HydrophobicContact CG2-CB 4.39Å; I124-Q171 PolarHBondContact N-O 2.8Å; V160-Q171 HydrophobicContact CG1-CB 4.31Å; G161-Q171 CarbonylContact O-C 3.54Å
172V96.7Very high92Very high2 Ų250.8 Ų50.81%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-111.2118.8172-174.90000106.6I124 L126 I138 T142 V160 G161 T163I124-V172 HydrophobicContact CB-CG2 4.41Å; I124-V172 HydrophobicContact CD1-CG2 4.45Å; I124-V172 CarbonylContact O-C 3.53Å; I124-V172 WeakPolarHBondContact O-CA 3.49Å; L126-V172 HydrophobicContact CD1-CG1 4.11Å; L126-V172 HydrophobicContact CD2-CG1 4.21Å; L126-V172 HydrophobicContact CG-CG1 4.11Å; I138-V172 HydrophobicContact CD1-CB 4.49Å; I138-V172 HydrophobicContact CD1-CG1 4.28Å; I138-V172 WeakPolarHBondContact CD1-O 3.37Å; I138-V172 HydrophobicContact CG1-CG1 4.2Å; T142-V172 HydrophobicContact CG2-CB 4.02Å; T142-V172 HydrophobicContact CG2-CG2 3.86Å; V160-V172 CarbonylContact C-O 3.6Å; V160-V172 WeakPolarHBondContact CA-O 3.47Å; G161-V172 PolarHBondContact N-O 2.73Å; G161-V172 PolarHBondContact O-N 3.31Å; T163-V172 HydrophobicContact CG2-CG2 3.79Å
173I95.9Very high91Very high0 Ų051.5 Ų51.50%025%0.249CC..EExtended strand (participates in β ladder)trans-105.7116.4-178.4-56.8-178.3000108.1I117 T123 I124 I125 L126 L158 F159 V160 T175 L200I117-I173 HydrophobicContact CD1-CD1 4.09Å; I117-I173 HydrophobicContact CG1-CD1 4.15Å; I117-I173 HydrophobicContact CG2-CD1 3.71Å; T123-I173 HydrophobicContact CG2-CD1 3.37Å; T123-I173 HydrophobicContact CG2-CG1 3.72Å; I124-I173 PolarHBondContact O-N 3.06Å; I125-I173 HydrophobicContact CG1-CB 4.36Å; L126-I173 PolarHBondContact N-O 2.96Å; L158-I173 HydrophobicContact CB-CG2 4.27Å; L158-I173 HydrophobicContact CD2-CG2 4.12Å; F159-I173 CarbonylContact O-C 3.51Å; F159-I173 VanDerWaalsContact O-CA 3.27Å; F159-I173 WeakPolarHBondContact O-CA 3.49Å; V160-I173 HydrophobicContact CG2-CG1 4.29Å; I173-T175 HydrophobicContact CG2-CG2 4.31Å; I173-L200 HydrophobicContact CD1-CD1 3.53Å
174D94.8Very high90.1Very high0 Ų058.7 Ų58.70%029%0.287CS..EExtended strand (participates in β ladder)trans-82.2130.1167.4-170.427.4000109L126 K134 S135 I138 L158 F159L126-D174 HydrophobicContact CD1-CB 4.39Å; K134-D174 VanDerWaalsContact CB-OD1 3.28Å; K134-D174 WeakPolarHBondContact CB-OD1 3.33Å; S135-D174 WeakPolarHBondContact CA-OD2 3.05Å; S135-D174 WeakPolarHBondContact CB-OD2 3.48Å; S135-D174 PolarHBondContact OG-OD2 3.33Å; I138-D174 HydrophobicContact CD1-CB 3.82Å; I138-D174 HydrophobicContact CG2-CB 4.14Å; L158-D174 WeakPolarHBondContact CA-O 3.43Å; F159-D174 HydrophobicContact CB-CB 4.32Å; F159-D174 PolarHBondContact N-O 2.96Å; F159-D174 VanDerWaalsContact N-O 3.11Å; F159-D174 PolarHBondContact O-N 3.45Å
175T92.7Very high89.6Confident0 Ų059.3 Ų59.30%029%0.286CS..  trans-111.2145.6179.671.90000110.4I125 L126 K134 L158 I173 S193I125-T175 HydrophobicContact CG2-CG2 3.55Å; L126-T175 WeakPolarHBondContact O-CB 3.47Å; L126-T175 WeakPolarHBondContact O-CG2 3.19Å; L126-T175 PolarHBondContact O-OG1 3.24Å; K134-T175 WeakPolarHBondContact CE-O 3.39Å; L158-T175 HydrophobicContact CD2-CG2 3.74Å; I173-T175 HydrophobicContact CG2-CG2 4.31Å; T175-S193 WeakPolarHBondContact CB-OG 3.46Å
176P92.1Very high89Confident0 Ų058.8 Ų58.80%029%0.285CS..PPolyproline II helixtrans-50.9145167.3-26.733.9000111.7T155 V178 I189 S193T155-P176 WeakPolarHBondContact O-CB 3.43Å; P176-V178 PolarHBondContact O-N 3.01Å; P176-I189 HydrophobicContact CB-CG2 3.4Å; P176-I189 VanDerWaalsContact CB-CG2 3.4Å; P176-I189 HydrophobicContact CG-CG2 3.77Å; P176-S193 WeakPolarHBondContact CD-OG 3.29Å; P176-S193 PolarHBondContact O-OG 3.28Å
177G85.4Confident88.7Confident3 Ų357.3 Ų57.33%0.03128%0.283CS..PPolyproline II helixtrans-59133.2177.300000111.9F153F153-G177 WeakPolarHBondContact CE1-O 3.47Å
178V88.4Confident88.5Confident1 Ų153.6 Ų53.61%0.00627%0.266CS..PPolyproline II helixtrans-98.8136177.8-175.80000108.6G128 P176 S193 L224G128-V178 PolarHBondContact O-N 2.77Å; P176-V178 PolarHBondContact O-N 3.01Å; V178-S193 VanDerWaalsContact CG2-CB 3.41Å; V178-L224 HydrophobicContact CG1-CD1 4.26Å; V178-L224 WeakPolarHBondContact O-CD2 3.34Å
179L87.1Confident88.3Confident10 Ų1053 Ų535%0.05226%0.263CS..PPolyproline II helixtrans-100.1156.8173.6-64.5-177.4000110.8F129 P130 F153 R181 H186 Y216F129-L179 HydrophobicContact CD1-CD2 3.93Å; F129-L179 HydrophobicContact CE1-CD2 4.03Å; P130-L179 HydrophobicContact CG-CD2 3.95Å; F153-L179 HydrophobicContact CE2-CD1 4.23Å; F153-L179 HydrophobicContact CZ-CD1 3.73Å; F153-L179 HydrophobicContact CZ-CG 3.95Å; L179-R181 PolarHBondContact O-N 3.47Å; L179-R181 VanDerWaalsContact O-N 3.12Å; L179-H186 PolarHBondContact O-CE1 3.15Å; L179-Y216 HydrophobicContact CD2-CE1 4.43Å; L179-Y216 HydrophobicContact CD2-CE2 4.06Å; L179-Y216 WeakPolarHBondContact CD2-OH 3.45Å
180N81.5Confident88Confident61 Ų6144.3 Ų44.333%0.32623%0.23SC..SBendtrans-83.189.4179.4-167.416000111.2F129 T223 L224 N227F129-N180 HydrophobicContact CZ-CB 4.37Å; N180-T223 VanDerWaalsContact ND2-CG2 3.26Å; N180-T223 WeakPolarHBondContact ND2-CG2 3.49Å; N180-L224 HydrophobicContact CB-CB 4.22Å; N180-L224 HydrophobicContact CB-CD1 4.02Å; N180-N227 PolarHBondContact ND2-ND2 3.36Å; N180-N227 PolarHBondContact OD1-ND2 3.29Å
181R82.3Confident87.7Confident118 Ų11847 Ų4745%0.44524%0.243SC..  trans-138.2159.8178.1-62.9-177.8-174.1175.71.1109.8L179 E185 H186L179-R181 PolarHBondContact O-N 3.47Å; L179-R181 VanDerWaalsContact O-N 3.12Å; R181-E185 HydrophobicContact CB-CB 4.45Å; R181-H186 PolarHBondContact O-CE1 2.99Å; R181-H186 PolarHBondContact O-NE2 3.36Å
182P81.8Confident87.6Confident75 Ų7546.4 Ų46.449%0.48724%0.241SC..  trans-56149.7171.5-22.833.7000111.7D184 E185P182-D184 PolarHBondContact O-N 3Å; P182-D184 VanDerWaalsContact O-N 3.12Å; P182-E185 HydrophobicContact CB-CG 4.47Å; P182-E185 PolarHBondContact O-N 3.41Å
183L74.5Confident87.3Confident112 Ų11246.3 Ų46.359%0.58624%0.24SC*.G310 helixtrans-56.2-35.3-174.4-72.9172.5000113.5E185 H186 I194L183-E185 VanDerWaalsContact C-N 3.27Å; L183-E185 PolarHBondContact O-N 3.4Å; L183-H186 VanDerWaalsContact CA-CD2 3.45Å; L183-H186 WeakPolarHBondContact CA-CD2 3.31Å; L183-H186 PolarHBondContact O-CD2 3.27Å; L183-H186 PolarHBondContact O-N 2.9Å; L183-I194 HydrophobicContact CD2-CD1 3.92Å
184D76.8Confident87.2Confident162 Ų16247 Ų4787%0.86624%0.243SC*.G310 helixtrans-73.9-18.1-177.6-57.2-34.4000113.2P182P182-D184 PolarHBondContact O-N 3Å; P182-D184 VanDerWaalsContact O-N 3.12Å
185E84.5Confident87Confident123 Ų12347.4 Ų47.458%0.57525%0.246SC*.G310 helixtrans-97.50.3-179.7-63.5-176.3179.800112.8R181 P182 L183R181-E185 HydrophobicContact CB-CB 4.45Å; P182-E185 HydrophobicContact CB-CG 4.47Å; P182-E185 PolarHBondContact O-N 3.41Å; L183-E185 VanDerWaalsContact C-N 3.27Å; L183-E185 PolarHBondContact O-N 3.4Å
186H82.7Confident87.1Confident24 Ų2447.4 Ų47.411%0.11125%0.246CC..  trans-71.3137.4178.8-74.1-54000112.1L179 R181 L183 E190 M191 I194L179-H186 PolarHBondContact O-CE1 3.15Å; R181-H186 PolarHBondContact O-CE1 2.99Å; R181-H186 PolarHBondContact O-NE2 3.36Å; L183-H186 VanDerWaalsContact CA-CD2 3.45Å; L183-H186 WeakPolarHBondContact CA-CD2 3.31Å; L183-H186 PolarHBondContact O-CD2 3.27Å; L183-H186 PolarHBondContact O-N 2.9Å; H186-E190 HydrophobicContact CB-CB 4.12Å; H186-E190 IonicContact CE1-OE2 2.65Å; H186-E190 IonicContact CG-OE2 3.76Å; H186-E190 IonicContact ND1-OE2 3.36Å; H186-E190 PolarHBondContact ND1-OE2 3.29Å; H186-M191 HydrophobicContact CB-CG 3.91Å; H186-M191 HydrophobicContact CB-SD 3.86Å; H186-I194 WeakPolarHBondContact CD2-CD1 3.31Å
187N88.9Confident87.1Confident85 Ų8547.4 Ų47.446%0.45525%0.246SC..  trans-68.4159.9171.9-67.1-38.6000110.8I189 E190 M191N187-I189 PolarHBondContact O-N 2.92Å; N187-I189 VanDerWaalsContact O-N 3.13Å; N187-E190 PolarHBondContact O-N 3.26Å; N187-M191 WeakPolarHBondContact O-CG 3.24Å; N187-M191 PolarHBondContact O-N 3.24Å
188T89.5Confident87.4Confident91 Ų9149.5 Ų49.556%0.55826%0.263SS*.Hα-helixtrans-52.2-39175.352.60000112.3V38 M191 L192V38-T188 WeakPolarHBondContact CG1-O 3.22Å; T188-M191 PolarHBondContact O-N 2.7Å; T188-L192 WeakPolarHBondContact O-CG 3.3Å; T188-L192 PolarHBondContact O-N 3.38Å; T188-L192 VanDerWaalsContact O-N 3.17Å
189I90Very high87.6Confident42 Ų4252 Ų5222%0.21528%0.275CS..Hα-helixtrans-62.3-44.1177.7-62.2172.5000111.8K156 P176 N187 L192K156-I189 HydrophobicContact CB-CD1 4.17Å; K156-I189 HydrophobicContact CD-CD1 4.35Å; K156-I189 HydrophobicContact CG-CD1 4.11Å; P176-I189 HydrophobicContact CB-CG2 3.4Å; P176-I189 VanDerWaalsContact CB-CG2 3.4Å; P176-I189 HydrophobicContact CG-CG2 3.77Å; N187-I189 PolarHBondContact O-N 2.92Å; N187-I189 VanDerWaalsContact O-N 3.13Å; I189-L192 WeakPolarHBondContact O-CB 3.27Å; I189-L192 PolarHBondContact O-N 2.9Å
190E89.5Confident87.9Confident0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-72-35.4179.8-65.8176.3-175.300110.9F153 H186 N187 L192 S193 I194F153-E190 HydrophobicContact CE1-CG 4.3Å; H186-E190 HydrophobicContact CB-CB 4.12Å; H186-E190 IonicContact CE1-OE2 2.65Å; H186-E190 IonicContact CG-OE2 3.76Å; H186-E190 IonicContact ND1-OE2 3.36Å; H186-E190 PolarHBondContact ND1-OE2 3.29Å; N187-E190 PolarHBondContact O-N 3.26Å; E190-L192 PolarHBondContact O-N 3.42Å; E190-S193 WeakPolarHBondContact O-CB 3.46Å; E190-S193 PolarHBondContact O-N 3.27Å; E190-I194 PolarHBondContact O-N 3.1Å; E190-I194 VanDerWaalsContact O-N 3.1Å
191M91Very high88.3Confident56 Ų5654.8 Ų54.828%0.27629%0.285SS..Hα-helixtrans-62.3-27.8173.5-72.5-60.3-67.400112.9V38 H186 N187 T188 S193 I194 T195V38-M191 HydrophobicContact CG1-CB 3.74Å; V38-M191 HydrophobicContact CG2-CB 4.01Å; H186-M191 HydrophobicContact CB-CG 3.91Å; H186-M191 HydrophobicContact CB-SD 3.86Å; N187-M191 WeakPolarHBondContact O-CG 3.24Å; N187-M191 PolarHBondContact O-N 3.24Å; T188-M191 PolarHBondContact O-N 2.7Å; M191-S193 VanDerWaalsContact C-N 3.35Å; M191-I194 PolarHBondContact O-N 3.28Å; M191-I194 HydrophobicContact SD-CD1 3.94Å; M191-T195 WeakPolarHBondContact O-CB 3.46Å; M191-T195 VanDerWaalsContact O-CG2 3.29Å; M191-T195 WeakPolarHBondContact O-CG2 3.33Å; M191-T195 PolarHBondContact O-N 3.21Å; M191-T195 PolarHBondContact O-OG1 3.46Å
192L92.6Very high88.9Confident10 Ų1049.1 Ų49.15%0.05226%0.264CS..Hα-helixtrans-63.5-41.2171.5-62.1174.6000111.8L35 V38 L39 T188 I189 E190 T195 A196L35-L192 HydrophobicContact CD1-CD2 3.46Å; L35-L192 VanDerWaalsContact CD1-CD2 3.46Å; L35-L192 HydrophobicContact CG-CD2 4.49Å; V38-L192 HydrophobicContact CB-CD2 4.35Å; V38-L192 HydrophobicContact CG1-CD2 3.85Å; V38-L192 HydrophobicContact CG1-CG 4.27Å; L39-L192 HydrophobicContact CD1-CD2 4.49Å; L39-L192 HydrophobicContact CD2-CD1 4.14Å; L39-L192 HydrophobicContact CD2-CD2 3.83Å; L39-L192 HydrophobicContact CG-CD2 3.95Å; T188-L192 WeakPolarHBondContact O-CG 3.3Å; T188-L192 PolarHBondContact O-N 3.38Å; T188-L192 VanDerWaalsContact O-N 3.17Å; I189-L192 WeakPolarHBondContact O-CB 3.27Å; I189-L192 PolarHBondContact O-N 2.9Å; E190-L192 PolarHBondContact O-N 3.42Å; L192-T195 WeakPolarHBondContact CA-OG1 3.43Å; L192-T195 PolarHBondContact O-OG1 3.25Å; L192-A196 WeakPolarHBondContact O-CB 3.34Å; L192-A196 PolarHBondContact O-N 2.73Å
193S92.2Very high89.5Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-66.5-41.8177-540000111T175 P176 V178 E190 M191 A196 L197T175-S193 WeakPolarHBondContact CB-OG 3.46Å; P176-S193 WeakPolarHBondContact CD-OG 3.29Å; P176-S193 PolarHBondContact O-OG 3.28Å; V178-S193 VanDerWaalsContact CG2-CB 3.41Å; E190-S193 WeakPolarHBondContact O-CB 3.46Å; E190-S193 PolarHBondContact O-N 3.27Å; M191-S193 VanDerWaalsContact C-N 3.35Å; S193-A196 PolarHBondContact O-N 3.07Å; S193-L197 WeakPolarHBondContact O-CB 3.33Å; S193-L197 VanDerWaalsContact O-CG 3.31Å; S193-L197 WeakPolarHBondContact O-CG 3.4Å; S193-L197 PolarHBondContact O-N 2.92Å
194I92Very high90.5Very high13 Ų1340.3 Ų40.37%0.06721%0.213CC..Hα-helixtrans-65.9-43178-65167.1000111.2L183 H186 E190 M191 L197 A198 L231L183-I194 HydrophobicContact CD2-CD1 3.92Å; H186-I194 WeakPolarHBondContact CD2-CD1 3.31Å; E190-I194 PolarHBondContact O-N 3.1Å; E190-I194 VanDerWaalsContact O-N 3.1Å; M191-I194 PolarHBondContact O-N 3.28Å; M191-I194 HydrophobicContact SD-CD1 3.94Å; I194-L197 CarbonylContact O-C 3.55Å; I194-L197 PolarHBondContact O-N 3.37Å; I194-A198 WeakPolarHBondContact O-CB 3.5Å; I194-A198 PolarHBondContact O-N 3.3Å; I194-L231 HydrophobicContact CG2-CD1 4.13Å
195T92.3Very high91.4Very high9 Ų932.6 Ų32.66%0.05517%0.172CC..Hα-helixtrans-64.4-40.7177.648.70000112.2D34 V38 M191 L192 A198 H199D34-T195 HydrophobicContact CB-CG2 4.06Å; V38-T195 HydrophobicContact CG2-CG2 3.86Å; M191-T195 WeakPolarHBondContact O-CB 3.46Å; M191-T195 VanDerWaalsContact O-CG2 3.29Å; M191-T195 WeakPolarHBondContact O-CG2 3.33Å; M191-T195 PolarHBondContact O-N 3.21Å; M191-T195 PolarHBondContact O-OG1 3.46Å; L192-T195 WeakPolarHBondContact CA-OG1 3.43Å; L192-T195 PolarHBondContact O-OG1 3.25Å; T195-A198 PolarHBondContact O-N 3.19Å; T195-H199 PolarHBondContact O-CD2 3.05Å; T195-H199 PolarHBondContact O-N 2.98Å; T195-H199 VanDerWaalsContact O-N 3.13Å
196A93.6Very high92Very high0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-61.2-47171.800000111.7F31 L158 L192 S193 A198 L200F31-A196 HydrophobicContact CE2-CB 4.18Å; L158-A196 HydrophobicContact CD1-CB 4.07Å; L158-A196 HydrophobicContact CD2-CB 4.15Å; L192-A196 WeakPolarHBondContact O-CB 3.34Å; L192-A196 PolarHBondContact O-N 2.73Å; S193-A196 PolarHBondContact O-N 3.07Å; A196-A198 VanDerWaalsContact C-N 3.31Å; A196-A198 PolarHBondContact O-N 2.98Å; A196-L200 HydrophobicContact CB-CD1 4.06Å; A196-L200 VanDerWaalsContact O-CB 3.29Å; A196-L200 WeakPolarHBondContact O-CB 3.48Å; A196-L200 WeakPolarHBondContact O-CG 3.44Å; A196-L200 PolarHBondContact O-N 3.42Å
197L92.7Very high92.6Very high0 Ų025.6 Ų25.60%014%0.14CC..Hα-helixtrans-67.2-26.2177.9-76172.5000113.8I125 C127 S193 I194 V204 F232 K235I125-L197 HydrophobicContact CB-CD2 4.32Å; I125-L197 HydrophobicContact CD1-CD2 4.43Å; I125-L197 HydrophobicContact CG2-CD2 3.67Å; I125-L197 HydrophobicContact CG2-CG 4.28Å; C127-L197 HydrophobicContact CB-CD1 4.29Å; C127-L197 HydrophobicContact CB-CD2 4.46Å; S193-L197 WeakPolarHBondContact O-CB 3.33Å; S193-L197 VanDerWaalsContact O-CG 3.31Å; S193-L197 WeakPolarHBondContact O-CG 3.4Å; S193-L197 PolarHBondContact O-N 2.92Å; I194-L197 CarbonylContact O-C 3.55Å; I194-L197 PolarHBondContact O-N 3.37Å; L197-V204 HydrophobicContact CD2-CG1 3.98Å; L197-V204 HydrophobicContact CD2-CG2 3.88Å; L197-F232 HydrophobicContact CD1-CE1 4.25Å; L197-F232 HydrophobicContact CD2-CE1 4.03Å; L197-K235 PolarHBondContact O-NZ 3.13Å
198A91.8Very high92.8Very high47 Ų4721.6 Ų21.639%0.38812%0.118SC..Hα-helixtrans-77.9-54.1177.600000111I194 T195 A196 K235I194-A198 WeakPolarHBondContact O-CB 3.5Å; I194-A198 PolarHBondContact O-N 3.3Å; T195-A198 PolarHBondContact O-N 3.19Å; A196-A198 VanDerWaalsContact C-N 3.31Å; A196-A198 PolarHBondContact O-N 2.98Å; A198-K235 PolarHBondContact O-NZ 3.27Å; A198-K235 VanDerWaalsContact O-NZ 3.1Å
199H92.1Very high93.1Very high55 Ų5517.3 Ų17.326%0.2559%0.092SC..Hα-helixtrans-88.5-28.2-165.7-68.8-68.6000115.7F31 D34 T195F31-H199 HydrophobicContact CB-CB 3.73Å; F31-H199 HydrophobicContact CD2-CB 4.08Å; F31-H199 HydrophobicContact CG-CB 4.38Å; D34-H199 IonicContact OD2-CD2 2.85Å; D34-H199 IonicContact OD2-CE1 3.99Å; D34-H199 PolarHBondContact OD2-CE1 3.33Å; D34-H199 IonicContact OD2-NE2 3.49Å; D34-H199 PolarHBondContact OD2-NE2 3.14Å; T195-H199 PolarHBondContact O-CD2 3.05Å; T195-H199 PolarHBondContact O-N 2.98Å; T195-H199 VanDerWaalsContact O-N 3.13Å
200L93.3Very high93.2Very high0 Ų015.3 Ų15.30%08%0.081CC..  trans-82.8130.8-173.7-62.3175.9000111.4F31 I117 P119 I125 I173 A196 A202 K235F31-L200 HydrophobicContact CD1-CD2 4.16Å; F31-L200 HydrophobicContact CD2-CD1 4.49Å; F31-L200 HydrophobicContact CD2-CD2 4.01Å; F31-L200 HydrophobicContact CD2-CG 4.01Å; F31-L200 HydrophobicContact CE1-CD2 4.39Å; F31-L200 HydrophobicContact CE2-CD1 4.05Å; F31-L200 HydrophobicContact CE2-CD2 4.25Å; F31-L200 HydrophobicContact CE2-CG 4.08Å; F31-L200 HydrophobicContact CG-CD2 3.96Å; F31-L200 HydrophobicContact CG-CG 4.47Å; F31-L200 HydrophobicContact CZ-CD1 4.29Å; F31-L200 HydrophobicContact CZ-CD2 4.43Å; I117-L200 HydrophobicContact CG2-CD1 4.26Å; I117-L200 HydrophobicContact CG2-CD2 3.97Å; P119-L200 HydrophobicContact CB-CD2 3.82Å; I125-L200 HydrophobicContact CD1-CB 3.8Å; I125-L200 HydrophobicContact CD1-CD1 3.75Å; I125-L200 HydrophobicContact CD1-CG 4.36Å; I125-L200 HydrophobicContact CG1-CD1 4.42Å; I173-L200 HydrophobicContact CD1-CD1 3.53Å; A196-L200 HydrophobicContact CB-CD1 4.06Å; A196-L200 VanDerWaalsContact O-CB 3.29Å; A196-L200 WeakPolarHBondContact O-CB 3.48Å; A196-L200 WeakPolarHBondContact O-CG 3.44Å; A196-L200 PolarHBondContact O-N 3.42Å; L200-A202 VanDerWaalsContact C-N 3.28Å; L200-A202 HydrophobicContact CB-CB 4.4Å; L200-A202 PolarHBondContact O-N 3.4Å; L200-K235 VanDerWaalsContact O-CE 3.3Å; L200-K235 WeakPolarHBondContact O-CE 3.43Å; L200-K235 PolarHBondContact O-NZ 3.23Å
201Q90.7Very high93.2Very high128 Ų12816.3 Ų16.360%0.5989%0.089SC*.  trans-81.975.5173.4-65.8-173.22.500110.6R306Q201-R306 PolarHBondContact O-NH2 3.33Å
202A93.8Very high93.2Very high0 Ų017.3 Ų17.30%09%0.093CC..EExtended strand (participates in β ladder)trans-118.9161.7-170.500000112.9T123 I125 L200 K235T123-A202 HydrophobicContact CG2-CB 3.97Å; T123-A202 CarbonylContact O-C 3.49Å; T123-A202 WeakPolarHBondContact O-CA 3.47Å; T123-A202 WeakPolarHBondContact O-CB 3.43Å; I125-A202 HydrophobicContact CD1-CB 3.62Å; I125-A202 HydrophobicContact CG1-CB 3.68Å; L200-A202 VanDerWaalsContact C-N 3.28Å; L200-A202 HydrophobicContact CB-CB 4.4Å; L200-A202 PolarHBondContact O-N 3.4Å; A202-K235 WeakPolarHBondContact O-CB 3.39Å
203A95.1Very high93.1Very high0 Ų022.3 Ų22.30%012%0.116CC..EExtended strand (participates in β ladder)trans-75.5133.9157.700000109.3T123 I124 I125 P236 A298 L302T123-A203 PolarHBondContact O-N 2.95Å; I124-A203 CarbonylContact C-O 3.58Å; I124-A203 VanDerWaalsContact CA-O 3.3Å; I124-A203 WeakPolarHBondContact CA-O 3.47Å; I124-A203 HydrophobicContact CG1-CB 4.38Å; I125-A203 PolarHBondContact N-O 3.2Å; A203-P236 WeakPolarHBondContact CA-O 3.48Å; A203-P236 HydrophobicContact CB-CG 3.83Å; A203-A298 HydrophobicContact CB-CB 4.25Å; A203-L302 HydrophobicContact CB-CB 4.2Å; A203-L302 HydrophobicContact CB-CD2 4.38Å
204V95.6Very high93Very high1 Ų122.8 Ų22.81%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-102.6123177.8-178.10000108.6C127 L197 F232 K235 P236 L237 V238C127-V204 HydrophobicContact CB-CG1 4.27Å; L197-V204 HydrophobicContact CD2-CG1 3.98Å; L197-V204 HydrophobicContact CD2-CG2 3.88Å; V204-F232 HydrophobicContact CB-CD1 4.34Å; V204-F232 HydrophobicContact CG1-CD1 4.05Å; V204-F232 HydrophobicContact CG1-CE1 3.74Å; V204-F232 HydrophobicContact CG1-CZ 4.28Å; V204-F232 HydrophobicContact CG2-CD1 4.06Å; V204-F232 HydrophobicContact CG2-CE1 4.43Å; V204-K235 HydrophobicContact CG2-CB 4.31Å; V204-K235 HydrophobicContact CG2-CD 4.19Å; V204-P236 PolarHBondContact N-O 2.74Å; V204-L237 HydrophobicContact CB-CD1 3.91Å; V204-L237 HydrophobicContact CG1-CD1 3.92Å; V204-L237 WeakPolarHBondContact O-CA 3.45Å; V204-V238 PolarHBondContact O-N 3.45Å
205I96Very high92.9Very high1 Ų125.2 Ų25.21%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-102.6110.4169.1-59.4173.1000107I124 I125 L126 C127 F137 I207 V238 A240 V294 A298I124-I205 HydrophobicContact CG2-CD1 3.35Å; I124-I205 HydrophobicContact CG2-CG1 3.8Å; I125-I205 PolarHBondContact O-N 3.12Å; L126-I205 HydrophobicContact CD2-CB 4.03Å; L126-I205 HydrophobicContact CD2-CD1 4.03Å; L126-I205 HydrophobicContact CD2-CG2 4.47Å; C127-I205 PolarHBondContact N-O 3.17Å; F137-I205 HydrophobicContact CE1-CD1 3.88Å; F137-I205 HydrophobicContact CZ-CD1 3.98Å; I205-I207 HydrophobicContact CG2-CG1 3.94Å; I205-V238 CarbonylContact C-O 3.53Å; I205-V238 WeakPolarHBondContact CA-O 3.49Å; I205-A240 HydrophobicContact CG2-CB 3.82Å; I205-V294 HydrophobicContact CD1-CG1 3.84Å; I205-V294 HydrophobicContact CG1-CG1 4.37Å; I205-V294 HydrophobicContact CG2-CG1 3.99Å; I205-A298 HydrophobicContact CD1-CB 4.08Å; I205-A298 HydrophobicContact CG1-CB 4.08Å
206Y95.8Very high92.9Very high0 Ų028.2 Ų28.20%016%0.158CC..EExtended strand (participates in β ladder)trans-91.1109173.7-173.7-98000109.1C127 M208 Q221 L224 F225 V238 I239 A240C127-Y206 HydrophobicContact CB-CD2 4.36Å; C127-Y206 CarbonylContact O-C 3.54Å; C127-Y206 WeakPolarHBondContact O-CA 3.45Å; Y206-M208 HydrophobicContact CD1-CG 3.67Å; Y206-M208 HydrophobicContact CD1-SD 4.18Å; Y206-M208 HydrophobicContact CE1-CG 3.38Å; Y206-M208 HydrophobicContact CE1-SD 3.97Å; Y206-Q221 PolarHBondContact OH-O 3.33Å; Y206-L224 HydrophobicContact CE2-CD2 4.41Å; Y206-F225 HydrophobicContact CD1-CB 4.4Å; Y206-F225 AromaticContact CD1-CD2 3.9Å; Y206-F225 HydrophobicContact CD1-CD2 3.9Å; Y206-F225 HydrophobicContact CD1-CG 4.49Å; Y206-F225 HydrophobicContact CD2-CD2 4.21Å; Y206-F225 HydrophobicContact CE1-CB 3.87Å; Y206-F225 HydrophobicContact CE1-CD2 4.23Å; Y206-F225 HydrophobicContact CE1-CG 4.42Å; Y206-F225 HydrophobicContact CE2-CB 4.36Å; Y206-F225 AromaticContact CG-CD2 3.9Å; Y206-F225 HydrophobicContact CG-CD2 3.9Å; Y206-V238 PolarHBondContact N-O 3.07Å; Y206-I239 HydrophobicContact CD1-CG1 4.37Å; Y206-I239 CarbonylContact O-C 3.46Å; Y206-I239 WeakPolarHBondContact O-CA 2.94Å; Y206-A240 PolarHBondContact O-N 2.57Å
207I95.6Very high92.9Very high0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-89.6121.9-178.2-54.8-170.3000109.6C127 V132 K134 F137 I205 A240 N242C127-I207 PolarHBondContact O-N 3.21Å; V132-I207 HydrophobicContact CB-CG2 4.12Å; V132-I207 HydrophobicContact CG2-CB 3.92Å; V132-I207 HydrophobicContact CG2-CG2 3.81Å; K134-I207 HydrophobicContact CB-CD1 4.33Å; K134-I207 HydrophobicContact CG-CB 4.34Å; K134-I207 HydrophobicContact CG-CD1 4.04Å; K134-I207 HydrophobicContact CG-CG1 4.44Å; F137-I207 HydrophobicContact CB-CD1 4.1Å; F137-I207 HydrophobicContact CD1-CD1 4.43Å; F137-I207 HydrophobicContact CG-CD1 4.22Å; I205-I207 HydrophobicContact CG2-CG1 3.94Å; I207-A240 WeakPolarHBondContact CA-O 3.32Å; I207-N242 HydrophobicContact CG2-CB 3.77Å
208M94.6Very high92.8Very high1 Ų130.9 Ų30.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-106.7150.4173.7-72.9178.948.300110.5Y206 L210 I218 Q221 L222 I239 A240 N242 I260Y206-M208 HydrophobicContact CD1-CG 3.67Å; Y206-M208 HydrophobicContact CD1-SD 4.18Å; Y206-M208 HydrophobicContact CE1-CG 3.38Å; Y206-M208 HydrophobicContact CE1-SD 3.97Å; M208-L210 HydrophobicContact CE-CD2 4.48Å; M208-I218 HydrophobicContact CE-CG2 4.37Å; M208-Q221 VanDerWaalsContact CA-OE1 3.31Å; M208-L222 HydrophobicContact CE-CD2 3.99Å; M208-L222 HydrophobicContact CE-CG 4.5Å; M208-L222 HydrophobicContact SD-CD2 4.12Å; M208-I239 HydrophobicContact CG-CG2 4.16Å; M208-I239 HydrophobicContact SD-CG2 3.54Å; M208-I239 VanDerWaalsContact SD-CG2 3.54Å; M208-A240 PolarHBondContact N-O 3.47Å; M208-N242 PolarHBondContact O-N 3.34Å; M208-I260 HydrophobicContact CE-CD1 4.29Å; M208-I260 HydrophobicContact CE-CG1 4.38Å
209D94.7Very high92.8Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-113.1108.7173-179.21000109V132 S211 C214 Q221 K243V132-D209 HydrophobicContact CB-CB 4.24Å; V132-D209 HydrophobicContact CG1-CB 4.06Å; D209-S211 VanDerWaalsContact C-N 3.27Å; D209-S211 PolarHBondContact O-N 3.39Å; D209-S211 WeakPolarHBondContact OD1-CB 3.41Å; D209-S211 PolarHBondContact OD1-N 3.2Å; D209-S211 PolarHBondContact OD1-OG 3.17Å; D209-S211 PolarHBondContact OD2-OG 3.24Å; D209-C214 HydrophobicContact CB-CB 4.19Å; D209-C214 PolarHBondContact OD2-N 2.72Å; D209-Q221 PolarHBondContact O-NE2 3.48Å; D209-K243 WeakPolarHBondContact OD1-CD 3.4Å; D209-K243 WeakPolarHBondContact OD2-CE 3.27Å; D209-K243 IonicContact OD2-NZ 3.13Å; D209-K243 PolarHBondContact OD2-NZ 2.77Å
210L91.7Very high92.9Very high0 Ų035.8 Ų35.80%019%0.189CC..THydrogen-bonded Turntrans-74.8-18.1-179.7-61-177.7000113M208 E212 A241 F249 L252 I260M208-L210 HydrophobicContact CE-CD2 4.48Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-A241 HydrophobicContact CD1-CB 3.66Å; L210-A241 HydrophobicContact CD2-CB 4.29Å; L210-A241 HydrophobicContact CG-CB 3.83Å; L210-F249 HydrophobicContact CD1-CB 4.29Å; L210-F249 HydrophobicContact CD1-CD2 4.32Å; L210-L252 HydrophobicContact CB-CD2 4.4Å; L210-L252 HydrophobicContact CD1-CD1 4.11Å; L210-L252 HydrophobicContact CD2-CD1 3.98Å; L210-L252 HydrophobicContact CG-CD1 4.46Å; L210-I260 HydrophobicContact CD2-CD1 4Å
211S91.2Very high92.9Very high22 Ų2235.8 Ų35.815%0.15419%0.189CC..THydrogen-bonded Turntrans-82.3-9.1-179.473.90000113.5D209 Q213D209-S211 VanDerWaalsContact C-N 3.27Å; D209-S211 PolarHBondContact O-N 3.39Å; D209-S211 WeakPolarHBondContact OD1-CB 3.41Å; D209-S211 PolarHBondContact OD1-N 3.2Å; D209-S211 PolarHBondContact OD1-OG 3.17Å; D209-S211 PolarHBondContact OD2-OG 3.24Å; S211-Q213 PolarHBondContact O-N 3.27Å; S211-Q213 WeakPolarHBondContact OG-CB 3.38Å; S211-Q213 WeakPolarHBondContact OG-CG 3.27Å; S211-Q213 PolarHBondContact OG-N 3.3Å
212E89.5Confident92.9Very high77 Ų7730.1 Ų30.136%0.3616%0.163SC..  trans59.78.7-174.7-53-169143.200115.1L210 C214 G215 T217 I218L210-E212 VanDerWaalsContact C-N 3.31Å; E212-C214 PolarHBondContact O-N 3.08Å; E212-C214 VanDerWaalsContact O-N 3.13Å; E212-G215 PolarHBondContact O-N 3.01Å; E212-T217 VanDerWaalsContact OE1-CA 3.27Å; E212-T217 WeakPolarHBondContact OE1-CA 3.38Å; E212-I218 HydrophobicContact CG-CG1 4.21Å; E212-I218 PolarHBondContact OE1-N 3.26Å
213Q90.7Very high92.9Very high115 Ų11532.8 Ų32.854%0.53718%0.18SC..THydrogen-bonded Turntrans-64.9-16.3177.7-71.6-175.1-8.400113.8S211 G215S211-Q213 PolarHBondContact O-N 3.27Å; S211-Q213 WeakPolarHBondContact OG-CB 3.38Å; S211-Q213 WeakPolarHBondContact OG-CG 3.27Å; S211-Q213 PolarHBondContact OG-N 3.3Å; Q213-G215 PolarHBondContact O-N 3.12Å
214C89.7Confident92.7Very high9 Ų933 Ų336%0.06118%0.18CC..THydrogen-bonded Turntrans-65.9-12.4171.867.50000113.4N131 V132 D209 E212N131-C214 HydrophobicContact CB-CB 4.34Å; V132-C214 HydrophobicContact CG1-CB 3.94Å; D209-C214 HydrophobicContact CB-CB 4.19Å; D209-C214 PolarHBondContact OD2-N 2.72Å; E212-C214 PolarHBondContact O-N 3.08Å; E212-C214 VanDerWaalsContact O-N 3.13Å
215G90Very high92.5Very high65 Ų6533 Ų3367%0.6718%0.181SC*.SBendtrans91.55.6-178.300000114.3E212 Q213E212-G215 PolarHBondContact O-N 3.01Å; Q213-G215 PolarHBondContact O-N 3.12Å
216Y92.1Very high92.2Very high72 Ų7238.2 Ų38.228%0.28221%0.205SC..SBendtrans-127.5138.9179.2-62.9-80.5000111F129 L179 Q221F129-Y216 HydrophobicContact CB-CD2 4.23Å; F129-Y216 HydrophobicContact CD1-CD1 4.07Å; F129-Y216 AromaticContact CD1-CD2 3.39Å; F129-Y216 HydrophobicContact CD1-CD2 3.39Å; F129-Y216 HydrophobicContact CD1-CE1 4.26Å; F129-Y216 AromaticContact CD1-CE2 3.6Å; F129-Y216 HydrophobicContact CD1-CE2 3.6Å; F129-Y216 AromaticContact CD1-CG 3.64Å; F129-Y216 HydrophobicContact CD1-CG 3.64Å; F129-Y216 AromaticContact CE1-CD1 3.73Å; F129-Y216 HydrophobicContact CE1-CD1 3.73Å; F129-Y216 AromaticContact CE1-CD2 3.95Å; F129-Y216 HydrophobicContact CE1-CD2 3.95Å; F129-Y216 AromaticContact CE1-CE1 3.93Å; F129-Y216 HydrophobicContact CE1-CE1 3.93Å; F129-Y216 HydrophobicContact CE1-CE2 4.13Å; F129-Y216 AromaticContact CE1-CG 3.75Å; F129-Y216 HydrophobicContact CE1-CG 3.75Å; F129-Y216 AromaticContact CG-CD2 3.99Å; F129-Y216 HydrophobicContact CG-CD2 3.99Å; F129-Y216 HydrophobicContact CG-CG 4.26Å; F129-Y216 HydrophobicContact CZ-CD1 4.44Å; F129-Y216 HydrophobicContact CZ-CG 4.45Å; L179-Y216 HydrophobicContact CD2-CE1 4.43Å; L179-Y216 HydrophobicContact CD2-CE2 4.06Å; L179-Y216 WeakPolarHBondContact CD2-OH 3.45Å; Y216-Q221 PolarHBondContact O-NE2 2.91Å
217T93.5Very high91.9Very high54 Ų5442.6 Ų42.633%0.33123%0.228SC..  trans-69.9158.3179.658.30000112E212 Q219 Q220 Q221E212-T217 VanDerWaalsContact OE1-CA 3.27Å; E212-T217 WeakPolarHBondContact OE1-CA 3.38Å; T217-Q219 PolarHBondContact O-N 3.39Å; T217-Q220 VanDerWaalsContact N-OE1 3.1Å; T217-Q220 WeakPolarHBondContact O-CB 3.08Å; T217-Q220 PolarHBondContact O-N 2.99Å; T217-Q220 VanDerWaalsContact O-N 3.12Å; T217-Q220 VanDerWaalsContact OG1-CG 3.27Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.36Å; T217-Q220 PolarHBondContact OG1-N 3.14Å; T217-Q220 PolarHBondContact OG1-OE1 3.05Å; T217-Q221 WeakPolarHBondContact O-CG 3.42Å; T217-Q221 PolarHBondContact O-N 3.13Å
218I91.8Very high91.6Very high1 Ų143.1 Ų43.11%0.00523%0.231CC..Hα-helixtrans-56.9-40176.8-63.5171.6000111.4M208 E212 Q220 Q221 L222 L252 D256 I260M208-I218 HydrophobicContact CE-CG2 4.37Å; E212-I218 HydrophobicContact CG-CG1 4.21Å; E212-I218 PolarHBondContact OE1-N 3.26Å; I218-Q220 PolarHBondContact O-N 3.34Å; I218-Q221 WeakPolarHBondContact O-CA 3.42Å; I218-Q221 WeakPolarHBondContact O-CB 3.44Å; I218-Q221 PolarHBondContact O-N 3.44Å; I218-Q221 VanDerWaalsContact O-N 3.15Å; I218-L222 HydrophobicContact CG2-CD1 4.27Å; I218-L222 HydrophobicContact CG2-CG 4.43Å; I218-L222 WeakPolarHBondContact O-CG 3.3Å; I218-L222 PolarHBondContact O-N 3.15Å; I218-L252 HydrophobicContact CD1-CD2 3.5Å; I218-L252 VanDerWaalsContact CD1-CD2 3.5Å; I218-D256 HydrophobicContact CD1-CB 4.14Å; I218-I260 HydrophobicContact CG2-CD1 4.09Å; I218-I260 HydrophobicContact CG2-CG1 4.34Å
219Q92Very high91.3Very high117 Ų11748.4 Ų48.455%0.54725%0.254SS..Hα-helixtrans-62.3-40.5177.5-64.8-178.4-300112.6T217 Q221 L222 T223T217-Q219 PolarHBondContact O-N 3.39Å; Q219-Q221 VanDerWaalsContact C-N 3.34Å; Q219-L222 PolarHBondContact O-N 3.17Å; Q219-T223 WeakPolarHBondContact O-CB 3.37Å; Q219-T223 PolarHBondContact O-N 3.24Å; Q219-T223 PolarHBondContact O-OG1 3.27Å
220Q92.7Very high91.1Very high88 Ų8852 Ų5241%0.41128%0.277SS..Hα-helixtrans-65.7-38.5174.4-72.9168.8-17.400111.8F129 T217 I218 T223 L224F129-Q220 WeakPolarHBondContact CE2-O 3.38Å; T217-Q220 VanDerWaalsContact N-OE1 3.1Å; T217-Q220 WeakPolarHBondContact O-CB 3.08Å; T217-Q220 PolarHBondContact O-N 2.99Å; T217-Q220 VanDerWaalsContact O-N 3.12Å; T217-Q220 VanDerWaalsContact OG1-CG 3.27Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.36Å; T217-Q220 PolarHBondContact OG1-N 3.14Å; T217-Q220 PolarHBondContact OG1-OE1 3.05Å; I218-Q220 PolarHBondContact O-N 3.34Å; Q220-T223 PolarHBondContact O-N 2.59Å; Q220-L224 PolarHBondContact O-N 3.18Å
221Q93.3Very high91Very high0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-57.9-50.2172.2-64.7-177.249.600111.5F129 Y206 M208 D209 Y216 T217 I218 Q219 T223 L224 F225F129-Q221 HydrophobicContact CD2-CB 4.31Å; F129-Q221 HydrophobicContact CD2-CG 3.76Å; F129-Q221 HydrophobicContact CE2-CB 4.34Å; F129-Q221 HydrophobicContact CE2-CG 4.09Å; Y206-Q221 PolarHBondContact OH-O 3.33Å; M208-Q221 VanDerWaalsContact CA-OE1 3.31Å; D209-Q221 PolarHBondContact O-NE2 3.48Å; Y216-Q221 PolarHBondContact O-NE2 2.91Å; T217-Q221 WeakPolarHBondContact O-CG 3.42Å; T217-Q221 PolarHBondContact O-N 3.13Å; I218-Q221 WeakPolarHBondContact O-CA 3.42Å; I218-Q221 WeakPolarHBondContact O-CB 3.44Å; I218-Q221 PolarHBondContact O-N 3.44Å; I218-Q221 VanDerWaalsContact O-N 3.15Å; Q219-Q221 VanDerWaalsContact C-N 3.34Å; Q221-T223 VanDerWaalsContact C-N 3.33Å; Q221-T223 PolarHBondContact O-N 3.48Å; Q221-L224 PolarHBondContact O-N 3.43Å; Q221-F225 PolarHBondContact O-N 2.95Å
222L92.2Very high90.8Very high9 Ų953.9 Ų53.95%0.04729%0.285CS..Hα-helixtrans-64.3-35.7177.2-67.2178.7000113M208 I218 Q219 F225 Q226 S259 I260 I263M208-L222 HydrophobicContact CE-CD2 3.99Å; M208-L222 HydrophobicContact CE-CG 4.5Å; M208-L222 HydrophobicContact SD-CD2 4.12Å; I218-L222 HydrophobicContact CG2-CD1 4.27Å; I218-L222 HydrophobicContact CG2-CG 4.43Å; I218-L222 WeakPolarHBondContact O-CG 3.3Å; I218-L222 PolarHBondContact O-N 3.15Å; Q219-L222 PolarHBondContact O-N 3.17Å; L222-F225 WeakPolarHBondContact O-CB 3.5Å; L222-F225 PolarHBondContact O-N 3.44Å; L222-Q226 WeakPolarHBondContact O-CG 3.41Å; L222-Q226 PolarHBondContact O-N 3.39Å; L222-S259 WeakPolarHBondContact CD1-OG 3.43Å; L222-I260 HydrophobicContact CD1-CG1 4.29Å; L222-I263 HydrophobicContact CD1-CD1 4.39Å; L222-I263 HydrophobicContact CD2-CD1 3.9Å
223T92.4Very high90.6Very high57 Ų5759.3 Ų59.335%0.3530%0.302SS..Hα-helixtrans-66.1-42.8177.9-52.30000111.2N180 Q219 Q220 Q221 F225 Q226 N227N180-T223 VanDerWaalsContact ND2-CG2 3.26Å; N180-T223 WeakPolarHBondContact ND2-CG2 3.49Å; Q219-T223 WeakPolarHBondContact O-CB 3.37Å; Q219-T223 PolarHBondContact O-N 3.24Å; Q219-T223 PolarHBondContact O-OG1 3.27Å; Q220-T223 PolarHBondContact O-N 2.59Å; Q221-T223 VanDerWaalsContact C-N 3.33Å; Q221-T223 PolarHBondContact O-N 3.48Å; T223-F225 VanDerWaalsContact C-N 3.31Å; T223-F225 PolarHBondContact O-N 3.04Å; T223-Q226 PolarHBondContact O-N 3.26Å; T223-N227 PolarHBondContact O-N 2.8Å
224L91.4Very high90.4Very high3 Ų361.4 Ų61.42%0.01632%0.317CS..Hα-helixtrans-60.3-44.6173.1177.665.2000110.9F129 V178 N180 Y206 Q220 Q221 Q226 N227 L228F129-L224 HydrophobicContact CD1-CD2 4.44Å; F129-L224 HydrophobicContact CD2-CB 4.36Å; F129-L224 HydrophobicContact CD2-CD2 3.51Å; F129-L224 HydrophobicContact CE1-CD2 4.3Å; F129-L224 HydrophobicContact CE2-CB 3.4Å; F129-L224 HydrophobicContact CE2-CD2 3.29Å; F129-L224 HydrophobicContact CE2-CG 3.95Å; F129-L224 HydrophobicContact CG-CD2 4.11Å; F129-L224 HydrophobicContact CZ-CB 3.77Å; F129-L224 HydrophobicContact CZ-CD2 3.75Å; F129-L224 HydrophobicContact CZ-CG 4.3Å; V178-L224 HydrophobicContact CG1-CD1 4.26Å; V178-L224 WeakPolarHBondContact O-CD2 3.34Å; N180-L224 HydrophobicContact CB-CB 4.22Å; N180-L224 HydrophobicContact CB-CD1 4.02Å; Y206-L224 HydrophobicContact CE2-CD2 4.41Å; Q220-L224 PolarHBondContact O-N 3.18Å; Q221-L224 PolarHBondContact O-N 3.43Å; L224-Q226 VanDerWaalsContact C-N 3.33Å; L224-Q226 PolarHBondContact O-N 3.28Å; L224-N227 PolarHBondContact O-N 3.49Å; L224-L228 HydrophobicContact CD1-CD1 3.94Å; L224-L228 HydrophobicContact CD1-CG 4.02Å; L224-L228 HydrophobicContact CD2-CD1 4.4Å; L224-L228 HydrophobicContact CG-CD1 3.91Å; L224-L228 HydrophobicContact CG-CG 4.3Å; L224-L228 WeakPolarHBondContact O-CG 3.15Å; L224-L228 PolarHBondContact O-N 3.38Å
225F91.6Very high90.4Very high3 Ų362.3 Ų62.31%0.01332%0.32CS..Hα-helixtrans-57.8-45.1177.9172.9-98.5000112Y206 Q221 L222 T223 N227 L228 K229 F232 L237 I239 I263 P278Y206-F225 HydrophobicContact CD1-CB 4.4Å; Y206-F225 AromaticContact CD1-CD2 3.9Å; Y206-F225 HydrophobicContact CD1-CD2 3.9Å; Y206-F225 HydrophobicContact CD1-CG 4.49Å; Y206-F225 HydrophobicContact CD2-CD2 4.21Å; Y206-F225 HydrophobicContact CE1-CB 3.87Å; Y206-F225 HydrophobicContact CE1-CD2 4.23Å; Y206-F225 HydrophobicContact CE1-CG 4.42Å; Y206-F225 HydrophobicContact CE2-CB 4.36Å; Y206-F225 AromaticContact CG-CD2 3.9Å; Y206-F225 HydrophobicContact CG-CD2 3.9Å; Q221-F225 PolarHBondContact O-N 2.95Å; L222-F225 WeakPolarHBondContact O-CB 3.5Å; L222-F225 PolarHBondContact O-N 3.44Å; T223-F225 VanDerWaalsContact C-N 3.31Å; T223-F225 PolarHBondContact O-N 3.04Å; F225-N227 VanDerWaalsContact C-N 3.33Å; F225-N227 PolarHBondContact O-N 3.06Å; F225-L228 PolarHBondContact O-N 3.19Å; F225-K229 PolarHBondContact O-N 3.48Å; F225-F232 HydrophobicContact CD2-CE2 4.03Å; F225-F232 HydrophobicContact CE2-CD2 4.2Å; F225-F232 AromaticContact CE2-CE2 3.88Å; F225-F232 HydrophobicContact CE2-CE2 3.88Å; F225-L237 HydrophobicContact CE2-CD1 4.23Å; F225-L237 HydrophobicContact CE2-CD2 3.47Å; F225-L237 VanDerWaalsContact CE2-CD2 3.47Å; F225-L237 HydrophobicContact CE2-CG 4.27Å; F225-L237 HydrophobicContact CZ-CD2 3.49Å; F225-L237 VanDerWaalsContact CZ-CD2 3.49Å; F225-I239 HydrophobicContact CD2-CD1 4.24Å; F225-I239 HydrophobicContact CE1-CD1 4.25Å; F225-I239 HydrophobicContact CE2-CD1 3.88Å; F225-I239 HydrophobicContact CE2-CG1 4.17Å; F225-I239 HydrophobicContact CZ-CD1 3.89Å; F225-I263 HydrophobicContact CD1-CG2 4.22Å; F225-I263 HydrophobicContact CE1-CG2 3.61Å; F225-I263 HydrophobicContact CZ-CG2 4.43Å; F225-P278 HydrophobicContact CZ-CG 3.97Å
226Q90.2Very high90.5Very high109 Ų10959.5 Ų59.551%0.50929%0.29SS..Hα-helixtrans-62.4-39.6176-71.1175.66.100112.2L222 T223 L224 K229L222-Q226 WeakPolarHBondContact O-CG 3.41Å; L222-Q226 PolarHBondContact O-N 3.39Å; T223-Q226 PolarHBondContact O-N 3.26Å; L224-Q226 VanDerWaalsContact C-N 3.33Å; L224-Q226 PolarHBondContact O-N 3.28Å; Q226-K229 WeakPolarHBondContact O-CB 3.29Å; Q226-K229 PolarHBondContact O-N 2.71Å
227N89.8Confident90.6Very high93 Ų9357.3 Ų57.350%0.49728%0.283SS..Hα-helixtrans-70-33.2178.5-72.5-11.8000113N180 T223 L224 F225 P230N180-N227 PolarHBondContact ND2-ND2 3.36Å; N180-N227 PolarHBondContact OD1-ND2 3.29Å; T223-N227 PolarHBondContact O-N 2.8Å; L224-N227 PolarHBondContact O-N 3.49Å; F225-N227 VanDerWaalsContact C-N 3.33Å; F225-N227 PolarHBondContact O-N 3.06Å; N227-P230 VanDerWaalsContact O-CD 3.25Å; N227-P230 WeakPolarHBondContact O-CD 3.27Å
228L89.1Confident90.7Very high11 Ų1154.7 Ų54.76%0.05827%0.267CS..Hα-helixtrans-83.1-15.9175.3-64.1178.8000113.4L224 F225 P230 L231 F232L224-L228 HydrophobicContact CD1-CD1 3.94Å; L224-L228 HydrophobicContact CD1-CG 4.02Å; L224-L228 HydrophobicContact CD2-CD1 4.4Å; L224-L228 HydrophobicContact CG-CD1 3.91Å; L224-L228 HydrophobicContact CG-CG 4.3Å; L224-L228 WeakPolarHBondContact O-CG 3.15Å; L224-L228 PolarHBondContact O-N 3.38Å; F225-L228 PolarHBondContact O-N 3.19Å; L228-P230 VanDerWaalsContact C-N 3.28Å; L228-P230 VanDerWaalsContact O-N 3.1Å; L228-L231 HydrophobicContact CD2-CD1 4Å; L228-L231 WeakPolarHBondContact O-CB 3.38Å; L228-L231 PolarHBondContact O-N 2.87Å; L228-F232 HydrophobicContact CB-CE1 4.26Å; L228-F232 HydrophobicContact CB-CE2 3.81Å; L228-F232 HydrophobicContact CB-CZ 3.5Å; L228-F232 VanDerWaalsContact CB-CZ 3.5Å; L228-F232 HydrophobicContact CD1-CZ 4.32Å
229K88.9Confident90.8Very high112 Ų11254.7 Ų54.749%0.48727%0.267SS..G310 helixtrans-46.4-39.7179.9-168.6174.6-178.8174.90114.6F225 Q226 L231 F232F225-K229 PolarHBondContact O-N 3.48Å; Q226-K229 WeakPolarHBondContact O-CB 3.29Å; Q226-K229 PolarHBondContact O-N 2.71Å; K229-L231 PolarHBondContact O-N 2.97Å; K229-F232 PolarHBondContact O-N 3.34Å; K229-F232 VanDerWaalsContact O-N 3.14Å
230P89.5Confident91Very high74 Ų7449.1 Ų49.148%0.48124%0.241SC..G310 helixtrans-60.2-28.2176.4-24.536000114.5N227 L228 F232 R233N227-P230 VanDerWaalsContact O-CD 3.25Å; N227-P230 WeakPolarHBondContact O-CD 3.27Å; L228-P230 VanDerWaalsContact C-N 3.28Å; L228-P230 VanDerWaalsContact O-N 3.1Å; P230-F232 VanDerWaalsContact C-N 3.34Å; P230-R233 WeakPolarHBondContact O-CG 3.27Å
231L88.5Confident91.1Very high50 Ų5044.9 Ų44.926%0.26222%0.221SC..G310 helixtrans-78.8-18.4179.2-59.2175.6000112.7I194 L228 K229 R233I194-L231 HydrophobicContact CG2-CD1 4.13Å; L228-L231 HydrophobicContact CD2-CD1 4Å; L228-L231 WeakPolarHBondContact O-CB 3.38Å; L228-L231 PolarHBondContact O-N 2.87Å; K229-L231 PolarHBondContact O-N 2.97Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.37Å
232F88Confident91.2Very high13 Ų1344.9 Ų44.96%0.05722%0.221CC..G310 helixtrans-86.56.2-178.7-51.8-34.3000113.5L197 V204 F225 L228 K229 P230 N234 K235 L237L197-F232 HydrophobicContact CD1-CE1 4.25Å; L197-F232 HydrophobicContact CD2-CE1 4.03Å; V204-F232 HydrophobicContact CB-CD1 4.34Å; V204-F232 HydrophobicContact CG1-CD1 4.05Å; V204-F232 HydrophobicContact CG1-CE1 3.74Å; V204-F232 HydrophobicContact CG1-CZ 4.28Å; V204-F232 HydrophobicContact CG2-CD1 4.06Å; V204-F232 HydrophobicContact CG2-CE1 4.43Å; F225-F232 HydrophobicContact CD2-CE2 4.03Å; F225-F232 HydrophobicContact CE2-CD2 4.2Å; F225-F232 AromaticContact CE2-CE2 3.88Å; F225-F232 HydrophobicContact CE2-CE2 3.88Å; L228-F232 HydrophobicContact CB-CE1 4.26Å; L228-F232 HydrophobicContact CB-CE2 3.81Å; L228-F232 HydrophobicContact CB-CZ 3.5Å; L228-F232 VanDerWaalsContact CB-CZ 3.5Å; L228-F232 HydrophobicContact CD1-CZ 4.32Å; K229-F232 PolarHBondContact O-N 3.34Å; K229-F232 VanDerWaalsContact O-N 3.14Å; P230-F232 VanDerWaalsContact C-N 3.34Å; F232-N234 PolarHBondContact O-N 2.9Å; F232-K235 PolarHBondContact O-N 3.43Å; F232-K235 VanDerWaalsContact O-N 3.1Å; F232-L237 HydrophobicContact CD2-CD1 3.91Å; F232-L237 HydrophobicContact CD2-CD2 4.01Å; F232-L237 HydrophobicContact CE2-CD1 4.18Å; F232-L237 HydrophobicContact CG-CD1 4.14Å
233R84.9Confident91.3Very high190 Ų19046 Ų4672%0.71723%0.225SC*.THydrogen-bonded Turntrans-57.4132.4178-72.2177.8-177.9176.82.9110.7P230 L231 K235P230-R233 WeakPolarHBondContact O-CG 3.27Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.37Å; R233-K235 PolarHBondContact O-N 3.36Å
234N86Confident91.3Very high159 Ų15944.7 Ų44.785%0.8522%0.217SC*.THydrogen-bonded Turntrans62.321.2-177.8-53.6-34.7000115.1F232F232-N234 PolarHBondContact O-N 2.9Å
235K91.2Very high91.3Very high28 Ų2847.8 Ų47.812%0.12223%0.234CC..SBendtrans-120.6135.8177.9-61.2-178.6-165.3-167.70109.4L197 A198 L200 A202 V204 F232 R233 L237L197-K235 PolarHBondContact O-NZ 3.13Å; A198-K235 PolarHBondContact O-NZ 3.27Å; A198-K235 VanDerWaalsContact O-NZ 3.1Å; L200-K235 VanDerWaalsContact O-CE 3.3Å; L200-K235 WeakPolarHBondContact O-CE 3.43Å; L200-K235 PolarHBondContact O-NZ 3.23Å; A202-K235 WeakPolarHBondContact O-CB 3.39Å; V204-K235 HydrophobicContact CG2-CB 4.31Å; V204-K235 HydrophobicContact CG2-CD 4.19Å; F232-K235 PolarHBondContact O-N 3.43Å; F232-K235 VanDerWaalsContact O-N 3.1Å; R233-K235 PolarHBondContact O-N 3.36Å; K235-L237 PolarHBondContact O-N 3.25Å
236P92.4Very high91.3Very high6 Ų651.4 Ų51.44%0.03925%0.253CS..  trans-68.9136.117327.7-25.4000108.4A203 V204 D301 L302 Q305A203-P236 WeakPolarHBondContact CA-O 3.48Å; A203-P236 HydrophobicContact CB-CG 3.83Å; V204-P236 PolarHBondContact N-O 2.74Å; P236-D301 HydrophobicContact CB-CB 3.68Å; P236-D301 HydrophobicContact CG-CB 4.48Å; P236-L302 HydrophobicContact CG-CB 3.88Å; P236-L302 HydrophobicContact CG-CD1 3.71Å; P236-L302 HydrophobicContact CG-CG 4.42Å; P236-Q305 VanDerWaalsContact CD-OE1 3.32Å
237L93.9Very high91.3Very high26 Ų2649.2 Ų49.214%0.13624%0.241CC..EExtended strand (participates in β ladder)trans-126.4122.4-168.9179.670.2000110V204 F225 F232 K235 P278 I279V204-L237 HydrophobicContact CB-CD1 3.91Å; V204-L237 HydrophobicContact CG1-CD1 3.92Å; V204-L237 WeakPolarHBondContact O-CA 3.45Å; F225-L237 HydrophobicContact CE2-CD1 4.23Å; F225-L237 HydrophobicContact CE2-CD2 3.47Å; F225-L237 VanDerWaalsContact CE2-CD2 3.47Å; F225-L237 HydrophobicContact CE2-CG 4.27Å; F225-L237 HydrophobicContact CZ-CD2 3.49Å; F225-L237 VanDerWaalsContact CZ-CD2 3.49Å; F232-L237 HydrophobicContact CD2-CD1 3.91Å; F232-L237 HydrophobicContact CD2-CD2 4.01Å; F232-L237 HydrophobicContact CE2-CD1 4.18Å; F232-L237 HydrophobicContact CG-CD1 4.14Å; K235-L237 PolarHBondContact O-N 3.25Å; L237-P278 HydrophobicContact CB-CB 4.4Å; L237-P278 HydrophobicContact CD2-CB 3.7Å; L237-P278 HydrophobicContact CD2-CG 4.14Å; L237-P278 HydrophobicContact CG-CB 3.87Å; L237-P278 WeakPolarHBondContact O-CA 3.45Å; L237-I279 PolarHBondContact O-N 3.18Å
238V94.3Very high91.3Very high0 Ų046.6 Ų46.60%023%0.229CC..EExtended strand (participates in β ladder)trans-118.8125176.5-179.30000108.1V204 I205 Y206 V281 V294 V297 A298V204-V238 PolarHBondContact O-N 3.45Å; I205-V238 CarbonylContact C-O 3.53Å; I205-V238 WeakPolarHBondContact CA-O 3.49Å; Y206-V238 PolarHBondContact N-O 3.07Å; V238-V281 HydrophobicContact CG1-CG2 4.23Å; V238-V294 HydrophobicContact CG1-CG1 4.33Å; V238-V297 HydrophobicContact CG2-CG1 3.95Å; V238-A298 HydrophobicContact CG2-CB 4.01Å
239I95.3Very high91.3Very high0 Ų046.8 Ų46.80%023%0.23CC..EExtended strand (participates in β ladder)trans-93.3117.7169.7-67.4172.5000107.4Y206 M208 F225 V264 P278 I279 F280 V281Y206-I239 HydrophobicContact CD1-CG1 4.37Å; Y206-I239 CarbonylContact O-C 3.46Å; Y206-I239 WeakPolarHBondContact O-CA 2.94Å; M208-I239 HydrophobicContact CG-CG2 4.16Å; M208-I239 HydrophobicContact SD-CG2 3.54Å; M208-I239 VanDerWaalsContact SD-CG2 3.54Å; F225-I239 HydrophobicContact CD2-CD1 4.24Å; F225-I239 HydrophobicContact CE1-CD1 4.25Å; F225-I239 HydrophobicContact CE2-CD1 3.88Å; F225-I239 HydrophobicContact CE2-CG1 4.17Å; F225-I239 HydrophobicContact CZ-CD1 3.89Å; I239-V264 HydrophobicContact CB-CG1 4.44Å; I239-V264 HydrophobicContact CD1-CG1 4.34Å; I239-V264 HydrophobicContact CD1-CG2 3.66Å; I239-P278 HydrophobicContact CD1-CB 3.76Å; I239-P278 HydrophobicContact CD1-CG 3.42Å; I239-P278 VanDerWaalsContact CD1-CG 3.42Å; I239-P278 HydrophobicContact CG1-CB 3.85Å; I239-P278 HydrophobicContact CG1-CG 4.11Å; I239-I279 PolarHBondContact N-O 3.48Å; I239-F280 HydrophobicContact CB-CD2 4.23Å; I239-F280 HydrophobicContact CG2-CD2 3.81Å; I239-F280 HydrophobicContact CG2-CE2 3.92Å; I239-F280 WeakPolarHBondContact O-CA 3.31Å; I239-V281 PolarHBondContact O-N 2.97Å
240A95.5Very high91.3Very high0 Ų049.3 Ų49.30%024%0.243CC..EExtended strand (participates in β ladder)trans-108.8113.6-179.300000109.9I205 Y206 I207 M208 N242 V281 M283 V294I205-A240 HydrophobicContact CG2-CB 3.82Å; Y206-A240 PolarHBondContact O-N 2.57Å; I207-A240 WeakPolarHBondContact CA-O 3.32Å; M208-A240 PolarHBondContact N-O 3.47Å; A240-N242 PolarHBondContact O-N 3.47Å; A240-V281 CarbonylContact C-O 3.59Å; A240-V281 VanDerWaalsContact CA-O 3.3Å; A240-V281 WeakPolarHBondContact CA-O 3.39Å; A240-M283 HydrophobicContact CB-CG 4.11Å; A240-M283 HydrophobicContact CB-SD 3.64Å; A240-V294 HydrophobicContact CB-CG1 4.07Å; A240-V294 HydrophobicContact CB-CG2 4Å
241A95Very high91.3Very high0 Ų052 Ų520%025%0.249CC..EExtended strand (participates in β ladder)trans-82.8109.9175.200000109.6L210 V244 F280 V281 M283L210-A241 HydrophobicContact CD1-CB 3.66Å; L210-A241 HydrophobicContact CD2-CB 4.29Å; L210-A241 HydrophobicContact CG-CB 3.83Å; A241-V244 WeakPolarHBondContact O-CG2 3.23Å; A241-F280 HydrophobicContact CB-CE1 4.23Å; A241-F280 HydrophobicContact CB-CE2 3.95Å; A241-F280 HydrophobicContact CB-CZ 3.5Å; A241-V281 PolarHBondContact N-O 3.48Å; A241-M283 WeakPolarHBondContact O-CG 3.16Å; A241-M283 PolarHBondContact O-N 2.89Å
242N95.3Very high91.3Very high0 Ų049.9 Ų49.90%024%0.238CC..EExtended strand (participates in β ladder)trans-91.3166.6178-163.121.8000112.1V132 I207 M208 A240 V244 M283 T285V132-N242 PolarHBondContact O-ND2 2.82Å; I207-N242 HydrophobicContact CG2-CB 3.77Å; M208-N242 PolarHBondContact O-N 3.34Å; A240-N242 PolarHBondContact O-N 3.47Å; N242-V244 VanDerWaalsContact C-N 3.32Å; N242-V244 PolarHBondContact O-N 3.3Å; N242-M283 CarbonylContact C-O 3.54Å; N242-M283 VanDerWaalsContact CA-O 3.27Å; N242-M283 WeakPolarHBondContact CA-O 3.4Å; N242-M283 HydrophobicContact CB-CE 4.08Å; N242-M283 HydrophobicContact CB-CG 4.49Å; N242-T285 PolarHBondContact OD1-N 3.39Å
243K93.6Very high91.4Very high32 Ų3251.7 Ų51.714%0.13925%0.253CS..  trans62.731.9178.3-51.8-170.7-166.9163.50114.7N131 D209 D245 I246 K247 M283N131-K243 PolarHBondContact O-NZ 3.38Å; D209-K243 WeakPolarHBondContact OD1-CD 3.4Å; D209-K243 WeakPolarHBondContact OD2-CE 3.27Å; D209-K243 IonicContact OD2-NZ 3.13Å; D209-K243 PolarHBondContact OD2-NZ 2.77Å; K243-D245 VanDerWaalsContact CA-OD1 3.31Å; K243-D245 WeakPolarHBondContact CA-OD1 3.2Å; K243-D245 PolarHBondContact O-N 2.97Å; K243-I246 HydrophobicContact CB-CD1 4.34Å; K243-I246 HydrophobicContact CD-CD1 4.34Å; K243-I246 PolarHBondContact O-N 3.32Å; K243-K247 PolarHBondContact O-N 3Å; K243-M283 PolarHBondContact N-O 2.83Å
244V92.3Very high91.6Very high29 Ų2948.2 Ų48.218%0.17624%0.244CC..THydrogen-bonded Turntrans-61.9-20.9176.9175.40000112.1A241 N242 I246 K247 P248 E282 M283A241-V244 WeakPolarHBondContact O-CG2 3.23Å; N242-V244 VanDerWaalsContact C-N 3.32Å; N242-V244 PolarHBondContact O-N 3.3Å; V244-I246 PolarHBondContact O-N 3.41Å; V244-K247 CarbonylContact O-C 3.51Å; V244-P248 HydrophobicContact CG1-CB 4.25Å; V244-E282 HydrophobicContact CG2-CB 3.96Å; V244-E282 HydrophobicContact CG2-CG 4.14Å; V244-M283 WeakPolarHBondContact CG2-O 3.36Å
245D91.4Very high91.9Very high69 Ų6947.5 Ų47.537%0.36924%0.236SC..THydrogen-bonded Turntrans-63.6-23.3171.654.3-65000113.9K243 S284 T287K243-D245 VanDerWaalsContact CA-OD1 3.31Å; K243-D245 WeakPolarHBondContact CA-OD1 3.2Å; K243-D245 PolarHBondContact O-N 2.97Å; D245-S284 VanDerWaalsContact CG-OG 3.26Å; D245-S284 VanDerWaalsContact OD1-CB 3.31Å; D245-S284 WeakPolarHBondContact OD1-CB 3.36Å; D245-S284 PolarHBondContact OD1-OG 3.12Å; D245-T287 HydrophobicContact CB-CG2 3.95Å
246I91.5Very high91.8Very high79 Ų7947.3 Ų47.341%0.40524%0.236SC..THydrogen-bonded Turntrans-97.1-47.5179.9-54.2-178.7000110.5K243 V244K243-I246 HydrophobicContact CB-CD1 4.34Å; K243-I246 HydrophobicContact CD-CD1 4.34Å; K243-I246 PolarHBondContact O-N 3.32Å; V244-I246 PolarHBondContact O-N 3.41Å
247K91Very high91.7Very high63 Ų6348.5 Ų48.527%0.27424%0.241SC..SBendtrans-139.6105.2178.4-165.6176.8-173.8-175.30109.7K243 V244 E251 L252K243-K247 PolarHBondContact O-N 3Å; V244-K247 CarbonylContact O-C 3.51Å; K247-E251 WeakPolarHBondContact CE-O 3.48Å; K247-E251 HydrophobicContact CG-CB 4.34Å; K247-L252 HydrophobicContact CD-CD2 4.12Å
248P89.4Confident91.6Very high37 Ų3753.5 Ų53.524%0.2426%0.263CS..  trans-71.4159.217530.2-34.1000111.3V244 E250 E251V244-P248 HydrophobicContact CG1-CB 4.25Å; P248-E250 PolarHBondContact O-N 3.39Å; P248-E251 HydrophobicContact CG-CB 4.23Å; P248-E251 HydrophobicContact CG-CG 3.82Å; P248-E251 PolarHBondContact O-N 3.25Å; P248-E251 VanDerWaalsContact O-N 3.13Å
249F89.2Confident91.3Very high16 Ų1655 Ų557%0.0727%0.274CS..G310 helixtrans-60-32.3-178.5-177.2-90.6000112.8L210 E251 L252 K257 I260 W266 F280 E282L210-F249 HydrophobicContact CD1-CB 4.29Å; L210-F249 HydrophobicContact CD1-CD2 4.32Å; F249-E251 PolarHBondContact O-N 2.77Å; F249-L252 HydrophobicContact CB-CD1 4.47Å; F249-L252 HydrophobicContact CD2-CD1 3.58Å; F249-L252 HydrophobicContact CE2-CD1 4Å; F249-L252 HydrophobicContact CG-CD1 4.14Å; F249-L252 WeakPolarHBondContact O-CB 3.34Å; F249-L252 PolarHBondContact O-N 3.11Å; F249-K257 HydrophobicContact CE1-CB 4.44Å; F249-K257 HydrophobicContact CE1-CD 4.41Å; F249-K257 HydrophobicContact CE1-CG 3.96Å; F249-K257 HydrophobicContact CZ-CB 4.17Å; F249-K257 HydrophobicContact CZ-CG 3.99Å; F249-K257 WeakPolarHBondContact O-CE 3.27Å; F249-I260 HydrophobicContact CE2-CB 4.21Å; F249-I260 HydrophobicContact CE2-CD1 3.95Å; F249-I260 HydrophobicContact CE2-CG2 4Å; F249-W266 HydrophobicContact CB-CH2 4.43Å; F249-W266 AromaticContact CD1-CH2 3.79Å; F249-W266 HydrophobicContact CD1-CH2 3.79Å; F249-W266 AromaticContact CD1-CZ2 3.73Å; F249-W266 HydrophobicContact CD1-CZ2 3.73Å; F249-W266 HydrophobicContact CD2-CH2 4.27Å; F249-W266 HydrophobicContact CD2-CZ2 4.33Å; F249-W266 HydrophobicContact CE1-CH2 4.09Å; F249-W266 AromaticContact CE1-CZ2 3.53Å; F249-W266 HydrophobicContact CE1-CZ2 3.53Å; F249-W266 HydrophobicContact CE2-CZ2 4.14Å; F249-W266 AromaticContact CG-CH2 3.91Å; F249-W266 HydrophobicContact CG-CH2 3.91Å; F249-W266 HydrophobicContact CG-CZ2 4.15Å; F249-W266 HydrophobicContact CZ-CH2 4.45Å; F249-W266 AromaticContact CZ-CZ2 3.74Å; F249-W266 HydrophobicContact CZ-CZ2 3.74Å; F249-F280 AromaticContact CD2-CE1 3.8Å; F249-F280 HydrophobicContact CD2-CE1 3.8Å; F249-F280 AromaticContact CD2-CZ 3.94Å; F249-F280 HydrophobicContact CD2-CZ 3.94Å; F249-F280 HydrophobicContact CE2-CE1 4.1Å; F249-F280 HydrophobicContact CE2-CZ 4.18Å; F249-F280 HydrophobicContact CG-CE1 4.48Å; F249-E282 WeakPolarHBondContact CB-OE1 3.47Å
250E88.6Confident91.1Very high164 Ų16455.1 Ų55.177%0.76628%0.275SS*.G310 helixtrans-61.6-28.7178.8-62.8-176.8178.800113.1P248 K257P248-E250 PolarHBondContact O-N 3.39Å; E250-K257 VanDerWaalsContact O-CE 3.23Å; E250-K257 WeakPolarHBondContact O-CE 3.23Å; E250-K257 PolarHBondContact O-NZ 2.78Å
251E90.3Very high90.8Very high130 Ų13058.3 Ų58.361%0.60729%0.292SS*.G310 helixtrans-89.32.3-179.5-69.7179.1-163.700113.8K247 P248 F249K247-E251 WeakPolarHBondContact CE-O 3.48Å; K247-E251 HydrophobicContact CG-CB 4.34Å; P248-E251 HydrophobicContact CG-CB 4.23Å; P248-E251 HydrophobicContact CG-CG 3.82Å; P248-E251 PolarHBondContact O-N 3.25Å; P248-E251 VanDerWaalsContact O-N 3.13Å; F249-E251 PolarHBondContact O-N 2.77Å
252L87.7Confident90.4Very high7 Ų761.9 Ų61.94%0.03732%0.317CS..SBendtrans-70.5157.6174.5-69.2172.9000112L210 I218 K247 F249 D256 K257 I260L210-L252 HydrophobicContact CB-CD2 4.4Å; L210-L252 HydrophobicContact CD1-CD1 4.11Å; L210-L252 HydrophobicContact CD2-CD1 3.98Å; L210-L252 HydrophobicContact CG-CD1 4.46Å; I218-L252 HydrophobicContact CD1-CD2 3.5Å; I218-L252 VanDerWaalsContact CD1-CD2 3.5Å; K247-L252 HydrophobicContact CD-CD2 4.12Å; F249-L252 HydrophobicContact CB-CD1 4.47Å; F249-L252 HydrophobicContact CD2-CD1 3.58Å; F249-L252 HydrophobicContact CE2-CD1 4Å; F249-L252 HydrophobicContact CG-CD1 4.14Å; F249-L252 WeakPolarHBondContact O-CB 3.34Å; F249-L252 PolarHBondContact O-N 3.11Å; L252-D256 HydrophobicContact CB-CB 4.5Å; L252-K257 HydrophobicContact CB-CG 3.86Å; L252-K257 WeakPolarHBondContact O-CE 3.3Å; L252-K257 PolarHBondContact O-NZ 3.18Å; L252-I260 HydrophobicContact CD1-CD1 4.11Å
253S89.9Confident90.1Very high51 Ų5163.2 Ų63.236%0.35732%0.324SS..  trans-62.8148.6171.6780000110.1E255 D256 K257S253-E255 PolarHBondContact O-N 3.31Å; S253-D256 PolarHBondContact O-N 3.47Å; S253-D256 VanDerWaalsContact O-N 3.15Å; S253-D256 WeakPolarHBondContact OG-CB 3.28Å; S253-D256 PolarHBondContact OG-N 3.46Å; S253-D256 VanDerWaalsContact OG-N 3.11Å; S253-D256 PolarHBondContact OG-OD2 3.5Å; S253-K257 WeakPolarHBondContact O-CG 3.46Å; S253-K257 PolarHBondContact O-N 2.93Å
254E90.5Very high89.8Confident116 Ų11662.1 Ų62.154%0.54232%0.32SS..Hα-helixtrans-61.5-30.2178.5-68.5-57.6133.900112.1K257 Q258E254-K257 IonicContact OE1-NZ 2.62Å; E254-K257 PolarHBondContact OE1-NZ 2.88Å; E254-Q258 WeakPolarHBondContact O-CB 3.3Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 2.73Å
255E91.1Very high89.6Confident145 Ų14561.5 Ų61.568%0.67832%0.315SS*.Hα-helixtrans-64.3-47.4173.6-63.3-178-174.100111.6S253 Q258 S259S253-E255 PolarHBondContact O-N 3.31Å; E255-Q258 PolarHBondContact O-N 3.29Å; E255-S259 PolarHBondContact O-N 3.1Å
256D90.4Very high89.3Confident23 Ų2361.4 Ų61.412%0.12331%0.309CS..Hα-helixtrans-66-42.7178.5-65.4-41.9000111I218 L252 S253 Q258 S259 I260I218-D256 HydrophobicContact CD1-CB 4.14Å; L252-D256 HydrophobicContact CB-CB 4.5Å; S253-D256 PolarHBondContact O-N 3.47Å; S253-D256 VanDerWaalsContact O-N 3.15Å; S253-D256 WeakPolarHBondContact OG-CB 3.28Å; S253-D256 PolarHBondContact OG-N 3.46Å; S253-D256 VanDerWaalsContact OG-N 3.11Å; S253-D256 PolarHBondContact OG-OD2 3.5Å; D256-Q258 VanDerWaalsContact C-N 3.32Å; D256-Q258 PolarHBondContact O-N 2.89Å; D256-S259 WeakPolarHBondContact CA-OG 3.46Å; D256-S259 PolarHBondContact O-N 3.48Å; D256-S259 PolarHBondContact O-OG 3.19Å; D256-I260 WeakPolarHBondContact O-CG1 3.38Å; D256-I260 PolarHBondContact O-N 2.98Å
257K90.2Very high88.9Confident31 Ų3161.3 Ų61.314%0.13531%0.307CS..Hα-helixtrans-57.9-45.7174.8-71.4177.2-175.31660111.4F249 E250 L252 S253 E254 I260 N261F249-K257 HydrophobicContact CE1-CB 4.44Å; F249-K257 HydrophobicContact CE1-CD 4.41Å; F249-K257 HydrophobicContact CE1-CG 3.96Å; F249-K257 HydrophobicContact CZ-CB 4.17Å; F249-K257 HydrophobicContact CZ-CG 3.99Å; F249-K257 WeakPolarHBondContact O-CE 3.27Å; E250-K257 VanDerWaalsContact O-CE 3.23Å; E250-K257 WeakPolarHBondContact O-CE 3.23Å; E250-K257 PolarHBondContact O-NZ 2.78Å; L252-K257 HydrophobicContact CB-CG 3.86Å; L252-K257 WeakPolarHBondContact O-CE 3.3Å; L252-K257 PolarHBondContact O-NZ 3.18Å; S253-K257 WeakPolarHBondContact O-CG 3.46Å; S253-K257 PolarHBondContact O-N 2.93Å; E254-K257 IonicContact OE1-NZ 2.62Å; E254-K257 PolarHBondContact OE1-NZ 2.88Å; K257-I260 PolarHBondContact O-N 2.88Å; K257-N261 VanDerWaalsContact O-CB 3.23Å; K257-N261 WeakPolarHBondContact O-CB 3.44Å; K257-N261 VanDerWaalsContact O-CG 3.24Å; K257-N261 PolarHBondContact O-N 3.46Å; K257-N261 PolarHBondContact O-ND2 3.34Å
258Q91.2Very high88.4Confident131 Ų13163 Ų6361%0.61232%0.322SS*.Hα-helixtrans-63.2-42.3177.2-74.617121.900111.5E254 E255 D256 I260 N261 S262E254-Q258 WeakPolarHBondContact O-CB 3.3Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 2.73Å; E255-Q258 PolarHBondContact O-N 3.29Å; D256-Q258 VanDerWaalsContact C-N 3.32Å; D256-Q258 PolarHBondContact O-N 2.89Å; Q258-I260 PolarHBondContact O-N 2.77Å; Q258-N261 PolarHBondContact O-N 3.2Å; Q258-S262 WeakPolarHBondContact O-CB 3.41Å; Q258-S262 PolarHBondContact O-N 3.16Å
259S89Confident87.9Confident33 Ų3365 Ų6523%0.23133%0.331CS..Hα-helixtrans-61-42.9178.277.20000112.1L222 E255 D256 S262L222-S259 WeakPolarHBondContact CD1-OG 3.43Å; E255-S259 PolarHBondContact O-N 3.1Å; D256-S259 WeakPolarHBondContact CA-OG 3.46Å; D256-S259 PolarHBondContact O-N 3.48Å; D256-S259 PolarHBondContact O-OG 3.19Å; S259-S262 PolarHBondContact O-OG 2.63Å
260I89.6Confident86.9Confident1 Ų174.4 Ų74.41%0.00537%0.372CS..Hα-helixtrans-70.7-51.7177.5-63.4168.7000110.5M208 L210 I218 L222 F249 L252 D256 K257 Q258 S262 I263 V264 F280M208-I260 HydrophobicContact CE-CD1 4.29Å; M208-I260 HydrophobicContact CE-CG1 4.38Å; L210-I260 HydrophobicContact CD2-CD1 4Å; I218-I260 HydrophobicContact CG2-CD1 4.09Å; I218-I260 HydrophobicContact CG2-CG1 4.34Å; L222-I260 HydrophobicContact CD1-CG1 4.29Å; F249-I260 HydrophobicContact CE2-CB 4.21Å; F249-I260 HydrophobicContact CE2-CD1 3.95Å; F249-I260 HydrophobicContact CE2-CG2 4Å; L252-I260 HydrophobicContact CD1-CD1 4.11Å; D256-I260 WeakPolarHBondContact O-CG1 3.38Å; D256-I260 PolarHBondContact O-N 2.98Å; K257-I260 PolarHBondContact O-N 2.88Å; Q258-I260 PolarHBondContact O-N 2.77Å; I260-S262 PolarHBondContact O-N 3.32Å; I260-S262 VanDerWaalsContact O-N 3.14Å; I260-I263 PolarHBondContact O-N 3.13Å; I260-V264 HydrophobicContact CG2-CG2 3.99Å; I260-V264 WeakPolarHBondContact O-CG2 3.43Å; I260-V264 PolarHBondContact O-N 2.84Å; I260-F280 HydrophobicContact CG2-CD2 4.18Å; I260-F280 HydrophobicContact CG2-CE2 3.81Å; I260-F280 HydrophobicContact CG2-CZ 4.13Å
261N89.5Confident86Confident67 Ų6773.8 Ų73.836%0.35837%0.369SS..Hα-helixtrans-61.5-25.9-178-74.3-30.9000113K257 Q258 I263 W266K257-N261 VanDerWaalsContact O-CB 3.23Å; K257-N261 WeakPolarHBondContact O-CB 3.44Å; K257-N261 VanDerWaalsContact O-CG 3.24Å; K257-N261 PolarHBondContact O-N 3.46Å; K257-N261 PolarHBondContact O-ND2 3.34Å; Q258-N261 PolarHBondContact O-N 3.2Å; N261-I263 VanDerWaalsContact C-N 3.25Å; N261-I263 PolarHBondContact O-N 3.05Å; N261-W266 PolarHBondContact OD1-NE1 3.34Å; N261-W266 VanDerWaalsContact OD1-NE1 3.08Å
262S87.9Confident85.1Confident76 Ų7673.9 Ų73.953%0.53138%0.379SS..Hα-helixtrans-66-29.2174.875.30000113.2Q258 S259 I260Q258-S262 WeakPolarHBondContact O-CB 3.41Å; Q258-S262 PolarHBondContact O-N 3.16Å; S259-S262 PolarHBondContact O-OG 2.63Å; I260-S262 PolarHBondContact O-N 3.32Å; I260-S262 VanDerWaalsContact O-N 3.14Å
263I87.4Confident84.3Confident27 Ų2780 Ų8014%0.13840%0.401CS..Hα-helixtrans-96.8-38.5-174.3-63.4166.9000111L222 F225 I260 N261 P278L222-I263 HydrophobicContact CD1-CD1 4.39Å; L222-I263 HydrophobicContact CD2-CD1 3.9Å; F225-I263 HydrophobicContact CD1-CG2 4.22Å; F225-I263 HydrophobicContact CE1-CG2 3.61Å; F225-I263 HydrophobicContact CZ-CG2 4.43Å; I260-I263 PolarHBondContact O-N 3.13Å; N261-I263 VanDerWaalsContact C-N 3.25Å; N261-I263 PolarHBondContact O-N 3.05Å; I263-P278 HydrophobicContact CG2-CG 4.12Å; I263-P278 WeakPolarHBondContact O-CD 3.3Å
264V88.1Confident83.7Confident9 Ų981 Ų816%0.05540%0.402CS..  trans-110.6149.7-163-153.20000112.7I239 I260 P278 F280I239-V264 HydrophobicContact CB-CG1 4.44Å; I239-V264 HydrophobicContact CD1-CG1 4.34Å; I239-V264 HydrophobicContact CD1-CG2 3.66Å; I260-V264 HydrophobicContact CG2-CG2 3.99Å; I260-V264 WeakPolarHBondContact O-CG2 3.43Å; I260-V264 PolarHBondContact O-N 2.84Å; V264-P278 HydrophobicContact CG1-CB 4.28Å; V264-P278 HydrophobicContact CG1-CG 4.11Å; V264-P278 WeakPolarHBondContact CG1-O 3.28Å; V264-P278 HydrophobicContact CG2-CG 4.34Å; V264-F280 HydrophobicContact CB-CB 4.05Å; V264-F280 HydrophobicContact CB-CD2 4.31Å; V264-F280 HydrophobicContact CB-CG 4.48Å; V264-F280 HydrophobicContact CG1-CB 3.32Å; V264-F280 HydrophobicContact CG1-CD2 3.93Å; V264-F280 HydrophobicContact CG1-CG 4.04Å; V264-F280 HydrophobicContact CG2-CD2 4.23Å
265Q87.4Confident83Confident17 Ų1781.4 Ų81.48%0.07942%0.415CS..EExtended strand (participates in β ladder)trans-104.1133169.6-178.217312.900109.9V272 D274 R277 P278 I279 F280Q265-V272 PolarHBondContact NE2-O 3.22Å; Q265-D274 VanDerWaalsContact OE1-N 3.11Å; Q265-R277 HydrophobicContact CB-CB 4.27Å; Q265-P278 PolarHBondContact N-O 3.18Å; Q265-I279 CarbonylContact O-C 3.59Å; Q265-I279 WeakPolarHBondContact O-CA 3.42Å; Q265-F280 PolarHBondContact O-N 3.18Å
266W85.2Confident82.4Confident66 Ų6681.2 Ų81.225%0.2542%0.419CS..EExtended strand (participates in β ladder)trans-69.2137.8178.8-73.785.9000111F249 N261 T268 D269 F280 E282F249-W266 HydrophobicContact CB-CH2 4.43Å; F249-W266 AromaticContact CD1-CH2 3.79Å; F249-W266 HydrophobicContact CD1-CH2 3.79Å; F249-W266 AromaticContact CD1-CZ2 3.73Å; F249-W266 HydrophobicContact CD1-CZ2 3.73Å; F249-W266 HydrophobicContact CD2-CH2 4.27Å; F249-W266 HydrophobicContact CD2-CZ2 4.33Å; F249-W266 HydrophobicContact CE1-CH2 4.09Å; F249-W266 AromaticContact CE1-CZ2 3.53Å; F249-W266 HydrophobicContact CE1-CZ2 3.53Å; F249-W266 HydrophobicContact CE2-CZ2 4.14Å; F249-W266 AromaticContact CG-CH2 3.91Å; F249-W266 HydrophobicContact CG-CH2 3.91Å; F249-W266 HydrophobicContact CG-CZ2 4.15Å; F249-W266 HydrophobicContact CZ-CH2 4.45Å; F249-W266 AromaticContact CZ-CZ2 3.74Å; F249-W266 HydrophobicContact CZ-CZ2 3.74Å; N261-W266 PolarHBondContact OD1-NE1 3.34Å; N261-W266 VanDerWaalsContact OD1-NE1 3.08Å; W266-T268 PolarHBondContact O-N 2.86Å; W266-T268 VanDerWaalsContact O-N 3.09Å; W266-D269 WeakPolarHBondContact O-CB 3.26Å; W266-D269 PolarHBondContact O-N 3.22Å; W266-D269 VanDerWaalsContact O-N 3.09Å; W266-F280 HydrophobicContact CD2-CD1 4.21Å; W266-F280 AromaticContact CE3-CD1 3.92Å; W266-F280 HydrophobicContact CE3-CD1 3.92Å; W266-F280 AromaticContact CH2-CD1 3.54Å; W266-F280 HydrophobicContact CH2-CD1 3.54Å; W266-F280 AromaticContact CH2-CE1 3.61Å; W266-F280 HydrophobicContact CH2-CE1 3.61Å; W266-F280 AromaticContact CZ2-CD1 3.82Å; W266-F280 HydrophobicContact CZ2-CD1 3.82Å; W266-F280 HydrophobicContact CZ2-CE1 4.04Å; W266-F280 AromaticContact CZ3-CD1 3.59Å; W266-F280 HydrophobicContact CZ3-CD1 3.59Å; W266-F280 HydrophobicContact CZ3-CE1 4.01Å; W266-E282 WeakPolarHBondContact CH2-OE1 3.41Å; W266-E282 HydrophobicContact CZ3-CG 4.48Å
267H82.8Confident82.1Confident78 Ų7885.8 Ų85.836%0.36143%0.434SS..THydrogen-bonded Turntrans-61.3-20.9178.376.8-76.7000113.7I279 F280 V281H267-I279 HydrophobicContact CB-CG2 3.43Å; H267-I279 VanDerWaalsContact CB-CG2 3.43Å; H267-F280 PolarHBondContact N-O 3.07Å; H267-F280 PolarHBondContact ND1-O 3.26Å; H267-V281 HydrophobicContact CB-CG2 3.93Å
268T81.4Confident82.1Confident97 Ų9784.7 Ų84.760%0.59543%0.431SS*.THydrogen-bonded Turntrans-84-17.4-179.8-39.30000112.7W266 K270W266-T268 PolarHBondContact O-N 2.86Å; W266-T268 VanDerWaalsContact O-N 3.09Å; T268-K270 PolarHBondContact O-N 3.07Å
269D79.5Confident82.1Confident80 Ų8079 Ų7943%0.42840%0.404SS..  trans-67.1120-178.5-73.3-25.3000110.4W266 Q271W266-D269 WeakPolarHBondContact O-CB 3.26Å; W266-D269 PolarHBondContact O-N 3.22Å; W266-D269 VanDerWaalsContact O-N 3.09Å; D269-Q271 PolarHBondContact O-N 3.38Å
270K68.2Low82.4Confident214 Ų21477.4 Ų77.493%0.9339%0.393SS*.  trans-76.3-1.1178.3-66.6-177.7-179.5175.20113.5T268T268-K270 PolarHBondContact O-N 3.07Å
271Q68.3Low82.5Confident151 Ų15177.4 Ų77.471%0.70639%0.393SS*.SBendtrans-67.6161.1179.9-64.8-170.5-5.700110.8D269 R273D269-Q271 PolarHBondContact O-N 3.38Å; Q271-R273 PolarHBondContact O-N 3.46Å
272V71.5Confident82.8Confident132 Ų13277 Ų7780%0.839%0.389SS*.PPolyproline II helixtrans-53.7128.5174.5-1800000108Q265 D274Q265-V272 PolarHBondContact NE2-O 3.22Å; V272-D274 PolarHBondContact O-N 2.88Å
273R71.9Confident83.1Confident135 Ų13573.5 Ų73.551%0.50936%0.364SS..PPolyproline II helixtrans-69.5124.5-178.8-69.9-174.5177.8-171.3-0.4109.8Q271 P275 D301Q271-R273 PolarHBondContact O-N 3.46Å; R273-P275 WeakPolarHBondContact O-CD 3.49Å; R273-D301 IonicContact CZ-OD1 2.74Å; R273-D301 IonicContact NH1-OD1 3.34Å; R273-D301 PolarHBondContact NH1-OD1 2.78Å; R273-D301 IonicContact NH1-OD2 3.89Å
274D77.3Confident83.4Confident72 Ų7272.3 Ų72.339%0.38536%0.358SS..PPolyproline II helixtrans-79116.8172.5-75.1-25.1000108.2Q265 V272 D276 R277Q265-D274 VanDerWaalsContact OE1-N 3.11Å; V272-D274 PolarHBondContact O-N 2.88Å; D274-D276 PolarHBondContact O-N 3.03Å; D274-D276 VanDerWaalsContact O-N 3.14Å; D274-R277 HydrophobicContact CB-CB 4.01Å; D274-R277 HydrophobicContact CB-CG 4.11Å; D274-R277 PolarHBondContact O-N 3.13Å; D274-R277 VanDerWaalsContact O-N 3.13Å; D274-R277 IonicContact OD2-NH1 3.77Å; D274-R277 PolarHBondContact OD2-NH1 3.06Å
275P74.5Confident83.6Confident125 Ų12572.8 Ų72.881%0.81236%0.361SS*.THydrogen-bonded Turntrans-65.2-20.8-17626.6-34.8000113.4R273R273-P275 WeakPolarHBondContact O-CD 3.49Å
276D78.2Confident83.8Confident140 Ų14076.9 Ų76.975%0.74939%0.387SS*.THydrogen-bonded Turntrans-88.3-12.5-180-68.3-34.3000113.4D274D274-D276 PolarHBondContact O-N 3.03Å; D274-D276 VanDerWaalsContact O-N 3.14Å
277R85Confident84.1Confident119 Ų11977.6 Ų77.645%0.44940%0.399SS..SBendtrans-101.1123.5179.3-73.5-177.4159.7160.7-12110.5Q265 D274Q265-R277 HydrophobicContact CB-CB 4.27Å; D274-R277 HydrophobicContact CB-CB 4.01Å; D274-R277 HydrophobicContact CB-CG 4.11Å; D274-R277 PolarHBondContact O-N 3.13Å; D274-R277 VanDerWaalsContact O-N 3.13Å; D274-R277 IonicContact OD2-NH1 3.77Å; D274-R277 PolarHBondContact OD2-NH1 3.06Å
278P90Very high84.5Confident9 Ų979.1 Ų79.16%0.05841%0.406CS..PPolyproline II helixtrans-61.3155173.521.4-30.9000112F225 L237 I239 I263 V264 Q265F225-P278 HydrophobicContact CZ-CG 3.97Å; L237-P278 HydrophobicContact CB-CB 4.4Å; L237-P278 HydrophobicContact CD2-CB 3.7Å; L237-P278 HydrophobicContact CD2-CG 4.14Å; L237-P278 HydrophobicContact CG-CB 3.87Å; L237-P278 WeakPolarHBondContact O-CA 3.45Å; I239-P278 HydrophobicContact CD1-CB 3.76Å; I239-P278 HydrophobicContact CD1-CG 3.42Å; I239-P278 VanDerWaalsContact CD1-CG 3.42Å; I239-P278 HydrophobicContact CG1-CB 3.85Å; I239-P278 HydrophobicContact CG1-CG 4.11Å; I263-P278 HydrophobicContact CG2-CG 4.12Å; I263-P278 WeakPolarHBondContact O-CD 3.3Å; V264-P278 HydrophobicContact CG1-CB 4.28Å; V264-P278 HydrophobicContact CG1-CG 4.11Å; V264-P278 WeakPolarHBondContact CG1-O 3.28Å; V264-P278 HydrophobicContact CG2-CG 4.34Å; Q265-P278 PolarHBondContact N-O 3.18Å
279I91.9Very high85Confident10 Ų1079.1 Ų79.15%0.05141%0.406CS..EExtended strand (participates in β ladder)trans-86.9131.2173.5-60.4175.2000109.7L237 I239 Q265 H267 V281 V297 D301L237-I279 PolarHBondContact O-N 3.18Å; I239-I279 PolarHBondContact N-O 3.48Å; Q265-I279 CarbonylContact O-C 3.59Å; Q265-I279 WeakPolarHBondContact O-CA 3.42Å; H267-I279 HydrophobicContact CB-CG2 3.43Å; H267-I279 VanDerWaalsContact CB-CG2 3.43Å; I279-V281 HydrophobicContact CG2-CG2 4.18Å; I279-V297 HydrophobicContact CB-CG1 4.2Å; I279-V297 HydrophobicContact CD1-CG1 3.57Å; I279-V297 HydrophobicContact CG1-CG1 4.49Å; I279-V297 HydrophobicContact CG2-CG1 3.92Å; I279-D301 WeakPolarHBondContact CD1-OD2 3.47Å
280F93.9Very high85.5Confident1 Ų175.9 Ų75.90%0.00439%0.392CS..EExtended strand (participates in β ladder)trans-92.2129.7175.7-157.7-116.7000110.9I239 A241 F249 I260 V264 Q265 W266 H267 E282I239-F280 HydrophobicContact CB-CD2 4.23Å; I239-F280 HydrophobicContact CG2-CD2 3.81Å; I239-F280 HydrophobicContact CG2-CE2 3.92Å; I239-F280 WeakPolarHBondContact O-CA 3.31Å; A241-F280 HydrophobicContact CB-CE1 4.23Å; A241-F280 HydrophobicContact CB-CE2 3.95Å; A241-F280 HydrophobicContact CB-CZ 3.5Å; F249-F280 AromaticContact CD2-CE1 3.8Å; F249-F280 HydrophobicContact CD2-CE1 3.8Å; F249-F280 AromaticContact CD2-CZ 3.94Å; F249-F280 HydrophobicContact CD2-CZ 3.94Å; F249-F280 HydrophobicContact CE2-CE1 4.1Å; F249-F280 HydrophobicContact CE2-CZ 4.18Å; F249-F280 HydrophobicContact CG-CE1 4.48Å; I260-F280 HydrophobicContact CG2-CD2 4.18Å; I260-F280 HydrophobicContact CG2-CE2 3.81Å; I260-F280 HydrophobicContact CG2-CZ 4.13Å; V264-F280 HydrophobicContact CB-CB 4.05Å; V264-F280 HydrophobicContact CB-CD2 4.31Å; V264-F280 HydrophobicContact CB-CG 4.48Å; V264-F280 HydrophobicContact CG1-CB 3.32Å; V264-F280 HydrophobicContact CG1-CD2 3.93Å; V264-F280 HydrophobicContact CG1-CG 4.04Å; V264-F280 HydrophobicContact CG2-CD2 4.23Å; Q265-F280 PolarHBondContact O-N 3.18Å; W266-F280 HydrophobicContact CD2-CD1 4.21Å; W266-F280 AromaticContact CE3-CD1 3.92Å; W266-F280 HydrophobicContact CE3-CD1 3.92Å; W266-F280 AromaticContact CH2-CD1 3.54Å; W266-F280 HydrophobicContact CH2-CD1 3.54Å; W266-F280 AromaticContact CH2-CE1 3.61Å; W266-F280 HydrophobicContact CH2-CE1 3.61Å; W266-F280 AromaticContact CZ2-CD1 3.82Å; W266-F280 HydrophobicContact CZ2-CD1 3.82Å; W266-F280 HydrophobicContact CZ2-CE1 4.04Å; W266-F280 AromaticContact CZ3-CD1 3.59Å; W266-F280 HydrophobicContact CZ3-CD1 3.59Å; W266-F280 HydrophobicContact CZ3-CE1 4.01Å; H267-F280 PolarHBondContact N-O 3.07Å; H267-F280 PolarHBondContact ND1-O 3.26Å; F280-E282 HydrophobicContact CE1-CG 4.12Å
281V93.7Very high86.7Confident1 Ų166.2 Ų66.21%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-138.2131172.4-173.60000109.7V238 I239 A240 A241 H267 I279 T293 V294V238-V281 HydrophobicContact CG1-CG2 4.23Å; I239-V281 PolarHBondContact O-N 2.97Å; A240-V281 CarbonylContact C-O 3.59Å; A240-V281 VanDerWaalsContact CA-O 3.3Å; A240-V281 WeakPolarHBondContact CA-O 3.39Å; A241-V281 PolarHBondContact N-O 3.48Å; H267-V281 HydrophobicContact CB-CG2 3.93Å; I279-V281 HydrophobicContact CG2-CG2 4.18Å; V281-T293 WeakPolarHBondContact CG1-OG1 3.41Å; V281-V294 HydrophobicContact CB-CG2 3.73Å; V281-V294 HydrophobicContact CG1-CG2 3.48Å; V281-V294 VanDerWaalsContact CG1-CG2 3.48Å; V281-V294 HydrophobicContact CG2-CG2 4.5Å
282E93.9Very high87.9Confident58 Ų5863.2 Ų63.227%0.27134%0.342SS..EExtended strand (participates in β ladder)trans-80.9138170.3-74.9176.8-169.400110.8V244 F249 W266 F280 G290V244-E282 HydrophobicContact CG2-CB 3.96Å; V244-E282 HydrophobicContact CG2-CG 4.14Å; F249-E282 WeakPolarHBondContact CB-OE1 3.47Å; W266-E282 WeakPolarHBondContact CH2-OE1 3.41Å; W266-E282 HydrophobicContact CZ3-CG 4.48Å; F280-E282 HydrophobicContact CE1-CG 4.12Å; E282-G290 WeakPolarHBondContact O-CA 3.08Å
283M94.4Very high89Confident2 Ų259.6 Ų59.61%0.0132%0.32CS..  trans-146.3156.9176.454.5167.6-89.700112.1F137 A240 A241 N242 K243 V244 T285 V289 L291 V294F137-M283 HydrophobicContact CB-CE 4.35Å; F137-M283 HydrophobicContact CD2-CE 3.32Å; F137-M283 HydrophobicContact CD2-SD 3.71Å; F137-M283 HydrophobicContact CE2-CE 3.87Å; F137-M283 HydrophobicContact CE2-SD 3.59Å; F137-M283 VanDerWaalsContact CE2-SD 3.59Å; F137-M283 HydrophobicContact CG-CE 4.2Å; A240-M283 HydrophobicContact CB-CG 4.11Å; A240-M283 HydrophobicContact CB-SD 3.64Å; A241-M283 WeakPolarHBondContact O-CG 3.16Å; A241-M283 PolarHBondContact O-N 2.89Å; N242-M283 CarbonylContact C-O 3.54Å; N242-M283 VanDerWaalsContact CA-O 3.27Å; N242-M283 WeakPolarHBondContact CA-O 3.4Å; N242-M283 HydrophobicContact CB-CE 4.08Å; N242-M283 HydrophobicContact CB-CG 4.49Å; K243-M283 PolarHBondContact N-O 2.83Å; V244-M283 WeakPolarHBondContact CG2-O 3.36Å; M283-T285 HydrophobicContact CE-CG2 3.87Å; M283-V289 CarbonylContact C-O 3.56Å; M283-V289 VanDerWaalsContact CA-O 3.24Å; M283-V289 WeakPolarHBondContact CA-O 3.27Å; M283-L291 HydrophobicContact CB-CD2 4.4Å; M283-L291 HydrophobicContact CE-CD2 3.67Å; M283-L291 HydrophobicContact SD-CD2 4.31Å; M283-V294 HydrophobicContact CB-CG2 4.16Å; M283-V294 HydrophobicContact CG-CG2 4.17Å; M283-V294 HydrophobicContact SD-CG2 3.89Å
284S94.6Very high90.1Very high2 Ų253.1 Ų53.11%0.01430%0.296CS..  trans-136.9128.8165.5170.80000109.4D245 V286 T287 E288 V289D245-S284 VanDerWaalsContact CG-OG 3.26Å; D245-S284 VanDerWaalsContact OD1-CB 3.31Å; D245-S284 WeakPolarHBondContact OD1-CB 3.36Å; D245-S284 PolarHBondContact OD1-OG 3.12Å; S284-V286 PolarHBondContact O-N 3Å; S284-V286 PolarHBondContact OG-N 3.44Å; S284-V286 VanDerWaalsContact OG-N 3.13Å; S284-T287 VanDerWaalsContact CB-OG1 3.27Å; S284-T287 WeakPolarHBondContact CB-OG1 3.15Å; S284-T287 PolarHBondContact OG-N 2.77Å; S284-T287 PolarHBondContact OG-OG1 2.79Å; S284-E288 VanDerWaalsContact O-CA 3.22Å; S284-E288 WeakPolarHBondContact O-CA 3.36Å; S284-E288 PolarHBondContact O-N 2.88Å; S284-V289 PolarHBondContact N-O 3.17Å
285T92.3Very high90.9Very high19 Ų1952.2 Ų52.212%0.11729%0.287CS..THydrogen-bonded Turntrans-73.1-13.8172.8490000113.2F137 K140 N242 M283 L291F137-T285 HydrophobicContact CB-CG2 4.33Å; K140-T285 WeakPolarHBondContact CE-O 3.41Å; N242-T285 PolarHBondContact OD1-N 3.39Å; M283-T285 HydrophobicContact CE-CG2 3.87Å; T285-L291 HydrophobicContact CG2-CD2 4.06Å
286V92.3Very high91.8Very high104 Ų10447.7 Ų47.763%0.6326%0.258SS*.THydrogen-bonded Turntrans-88.8-51.6-179.7-179.20000110.3S284 E288S284-V286 PolarHBondContact O-N 3Å; S284-V286 PolarHBondContact OG-N 3.44Å; S284-V286 VanDerWaalsContact OG-N 3.13Å; V286-E288 VanDerWaalsContact C-N 3.34Å
287T91.6Very high92.6Very high80 Ų8041.8 Ų41.849%0.49123%0.227SC..THydrogen-bonded Turntrans-86.3-8.5179.562.20000113.3D245 S284 V289D245-T287 HydrophobicContact CB-CG2 3.95Å; S284-T287 VanDerWaalsContact CB-OG1 3.27Å; S284-T287 WeakPolarHBondContact CB-OG1 3.15Å; S284-T287 PolarHBondContact OG-N 2.77Å; S284-T287 PolarHBondContact OG-OG1 2.79Å; T287-V289 PolarHBondContact O-N 2.88Å; T287-V289 VanDerWaalsContact O-N 3.12Å; T287-V289 WeakPolarHBondContact OG1-CG2 3.4Å
288E90.9Very high93Very high110 Ų11036.1 Ų36.151%0.51421%0.206SC..  trans62.810.3-177.2-55.1-175.317200114.7K140 S284 V286 L291K140-E288 IonicContact NZ-OE1 3.87Å; K140-E288 PolarHBondContact NZ-OE1 2.9Å; S284-E288 VanDerWaalsContact O-CA 3.22Å; S284-E288 WeakPolarHBondContact O-CA 3.36Å; S284-E288 PolarHBondContact O-N 2.88Å; V286-E288 VanDerWaalsContact C-N 3.34Å; E288-L291 HydrophobicContact CB-CD1 3.95Å; E288-L291 HydrophobicContact CG-CD1 4.11Å
289V90.8Very high93.3Very high97 Ų9735.7 Ų35.759%0.58820%0.203SC*.THydrogen-bonded Turntrans-69.1136.6173.4-179.70000109.2M283 S284 T287 L291M283-V289 CarbonylContact C-O 3.56Å; M283-V289 VanDerWaalsContact CA-O 3.24Å; M283-V289 WeakPolarHBondContact CA-O 3.27Å; S284-V289 PolarHBondContact N-O 3.17Å; T287-V289 PolarHBondContact O-N 2.88Å; T287-V289 VanDerWaalsContact O-N 3.12Å; T287-V289 WeakPolarHBondContact OG1-CG2 3.4Å; V289-L291 PolarHBondContact O-N 3Å; V289-L291 VanDerWaalsContact O-N 3.15Å
290G91.3Very high93.4Very high13 Ų1337.8 Ų37.813%0.13421%0.214CC..THydrogen-bonded Turntrans77.5-11.8174.400000116.7E282 V292 T293 V294E282-G290 WeakPolarHBondContact O-CA 3.08Å; G290-V292 PolarHBondContact O-N 3.27Å; G290-T293 VanDerWaalsContact CA-OG1 3.3Å; G290-T293 WeakPolarHBondContact CA-OG1 3.48Å; G290-T293 PolarHBondContact O-N 3.28Å; G290-T293 PolarHBondContact O-OG1 3.09Å; G290-V294 VanDerWaalsContact O-CG2 3.3Å; G290-V294 WeakPolarHBondContact O-CG2 3.36Å; G290-V294 PolarHBondContact O-N 3.22Å
291L92.3Very high93.3Very high10 Ų1039.1 Ų39.15%0.05222%0.221CC..Hα-helixtrans-60.3-46.5-179-64.2178.8000112.6F137 K140 M283 T285 E288 V289 T293 R295F137-L291 HydrophobicContact CD2-CD2 3.54Å; F137-L291 HydrophobicContact CE2-CD2 3.85Å; K140-L291 HydrophobicContact CB-CD1 3.87Å; K140-L291 HydrophobicContact CG-CD1 4.3Å; M283-L291 HydrophobicContact CB-CD2 4.4Å; M283-L291 HydrophobicContact CE-CD2 3.67Å; M283-L291 HydrophobicContact SD-CD2 4.31Å; T285-L291 HydrophobicContact CG2-CD2 4.06Å; E288-L291 HydrophobicContact CB-CD1 3.95Å; E288-L291 HydrophobicContact CG-CD1 4.11Å; V289-L291 PolarHBondContact O-N 3Å; V289-L291 VanDerWaalsContact O-N 3.15Å; L291-T293 VanDerWaalsContact C-N 3.33Å; L291-R295 PolarHBondContact O-N 2.86Å
292V93.1Very high93.3Very high89 Ų8939.3 Ų39.354%0.53922%0.223SC..Hα-helixtrans-69.1-34.7-179.9177.10000111.3G290 R295 S296G290-V292 PolarHBondContact O-N 3.27Å; V292-R295 PolarHBondContact O-N 3.09Å; V292-S296 WeakPolarHBondContact O-CB 3.49Å; V292-S296 PolarHBondContact O-N 3.02Å; V292-S296 PolarHBondContact O-OG 2.8Å
293T94.7Very high93.3Very high55 Ų5537.9 Ų37.934%0.33722%0.217SC..Hα-helixtrans-68.5-48.4179.758.50000110.1V281 G290 L291 R295 S296 V297V281-T293 WeakPolarHBondContact CG1-OG1 3.41Å; G290-T293 VanDerWaalsContact CA-OG1 3.3Å; G290-T293 WeakPolarHBondContact CA-OG1 3.48Å; G290-T293 PolarHBondContact O-N 3.28Å; G290-T293 PolarHBondContact O-OG1 3.09Å; L291-T293 VanDerWaalsContact C-N 3.33Å; T293-R295 VanDerWaalsContact C-N 3.3Å; T293-R295 PolarHBondContact O-N 3.27Å; T293-S296 WeakPolarHBondContact CA-OG 3.12Å; T293-S296 PolarHBondContact O-N 2.63Å; T293-S296 VanDerWaalsContact O-N 3.1Å; T293-S296 PolarHBondContact O-OG 2.75Å; T293-V297 WeakPolarHBondContact O-CG2 3.23Å; T293-V297 PolarHBondContact O-N 3.48Å
294V94.8Very high93.2Very high0 Ų040.2 Ų40.20%024%0.236CC..Hα-helixtrans-51.6-50.1173.3175.20000110.9F137 I205 V238 A240 V281 M283 G290 S296 V297 A298F137-V294 HydrophobicContact CE2-CB 4.29Å; F137-V294 HydrophobicContact CE2-CG1 4.09Å; F137-V294 HydrophobicContact CZ-CB 4.26Å; F137-V294 HydrophobicContact CZ-CG1 3.71Å; I205-V294 HydrophobicContact CD1-CG1 3.84Å; I205-V294 HydrophobicContact CG1-CG1 4.37Å; I205-V294 HydrophobicContact CG2-CG1 3.99Å; V238-V294 HydrophobicContact CG1-CG1 4.33Å; A240-V294 HydrophobicContact CB-CG1 4.07Å; A240-V294 HydrophobicContact CB-CG2 4Å; V281-V294 HydrophobicContact CB-CG2 3.73Å; V281-V294 HydrophobicContact CG1-CG2 3.48Å; V281-V294 VanDerWaalsContact CG1-CG2 3.48Å; V281-V294 HydrophobicContact CG2-CG2 4.5Å; M283-V294 HydrophobicContact CB-CG2 4.16Å; M283-V294 HydrophobicContact CG-CG2 4.17Å; M283-V294 HydrophobicContact SD-CG2 3.89Å; G290-V294 VanDerWaalsContact O-CG2 3.3Å; G290-V294 WeakPolarHBondContact O-CG2 3.36Å; G290-V294 PolarHBondContact O-N 3.22Å; V294-S296 PolarHBondContact O-N 3.11Å; V294-V297 PolarHBondContact O-N 3.07Å; V294-A298 WeakPolarHBondContact O-CB 3.44Å; V294-A298 PolarHBondContact O-N 3.35Å
295R94.2Very high93.1Very high53 Ų5343.6 Ų43.620%0.225%0.251CS..Hα-helixtrans-59-48.6177.8-177.3-176.166.9-178.9-4.8111.8I141 L291 V292 T293 V297 C299I141-R295 HydrophobicContact CD1-CB 4.3Å; L291-R295 PolarHBondContact O-N 2.86Å; V292-R295 PolarHBondContact O-N 3.09Å; T293-R295 VanDerWaalsContact C-N 3.3Å; T293-R295 PolarHBondContact O-N 3.27Å; R295-V297 PolarHBondContact O-N 3.31Å; R295-C299 VanDerWaalsContact O-CB 3.29Å; R295-C299 WeakPolarHBondContact O-CB 3Å; R295-C299 PolarHBondContact O-N 2.62Å; R295-C299 PolarHBondContact O-SG 2.89Å
296S94.5Very high93.1Very high30 Ų3044.9 Ų44.921%0.2125%0.254CS..Hα-helixtrans-62.6-43-177.9650000112.6Y165 V292 T293 V294 C299 D300Y165-S296 WeakPolarHBondContact OH-CB 3.35Å; V292-S296 WeakPolarHBondContact O-CB 3.49Å; V292-S296 PolarHBondContact O-N 3.02Å; V292-S296 PolarHBondContact O-OG 2.8Å; T293-S296 WeakPolarHBondContact CA-OG 3.12Å; T293-S296 PolarHBondContact O-N 2.63Å; T293-S296 VanDerWaalsContact O-N 3.1Å; T293-S296 PolarHBondContact O-OG 2.75Å; V294-S296 PolarHBondContact O-N 3.11Å; S296-C299 PolarHBondContact O-N 2.86Å; S296-D300 VanDerWaalsContact O-CB 3.27Å; S296-D300 WeakPolarHBondContact O-CB 3.41Å; S296-D300 PolarHBondContact O-N 2.77Å
297V93.6Very high93Very high16 Ų1643.7 Ų43.710%0.09725%0.247CC..Hα-helixtrans-65-50179.6172.40000110.2V238 I279 T293 V294 R295 C299 D300 D301V238-V297 HydrophobicContact CG2-CG1 3.95Å; I279-V297 HydrophobicContact CB-CG1 4.2Å; I279-V297 HydrophobicContact CD1-CG1 3.57Å; I279-V297 HydrophobicContact CG1-CG1 4.49Å; I279-V297 HydrophobicContact CG2-CG1 3.92Å; T293-V297 WeakPolarHBondContact O-CG2 3.23Å; T293-V297 PolarHBondContact O-N 3.48Å; V294-V297 PolarHBondContact O-N 3.07Å; R295-V297 PolarHBondContact O-N 3.31Å; V297-C299 VanDerWaalsContact C-N 3.33Å; V297-C299 PolarHBondContact O-N 2.92Å; V297-D300 PolarHBondContact O-N 3.35Å; V297-D301 WeakPolarHBondContact O-CB 3.37Å; V297-D301 PolarHBondContact O-N 3.18Å
298A94.2Very high93Very high0 Ų045.2 Ų45.20%025%0.249CC..Hα-helixtrans-60.5-41.8178.500000112.3A203 I205 V238 V294 L302A203-A298 HydrophobicContact CB-CB 4.25Å; I205-A298 HydrophobicContact CD1-CB 4.08Å; I205-A298 HydrophobicContact CG1-CB 4.08Å; V238-A298 HydrophobicContact CG2-CB 4.01Å; V294-A298 WeakPolarHBondContact O-CB 3.44Å; V294-A298 PolarHBondContact O-N 3.35Å; A298-L302 PolarHBondContact O-N 3.43Å
299C95.6Very high92.9Very high0 Ų042.2 Ų42.20%024%0.242CC..Hα-helixtrans-66.8-45.4177.3-740000112.5Y165 W170 R295 S296 V297 D301 L302 L303Y165-C299 HydrophobicContact CD1-CB 3.26Å; Y165-C299 HydrophobicContact CE1-CB 3.26Å; Y165-C299 HydrophobicContact CG-CB 4.14Å; W170-C299 HydrophobicContact CH2-CB 3.74Å; W170-C299 VanDerWaalsContact CH2-O 3.26Å; W170-C299 WeakPolarHBondContact CH2-O 3.33Å; W170-C299 HydrophobicContact CZ2-CB 3.77Å; W170-C299 HydrophobicContact CZ3-CB 4.13Å; R295-C299 VanDerWaalsContact O-CB 3.29Å; R295-C299 WeakPolarHBondContact O-CB 3Å; R295-C299 PolarHBondContact O-N 2.62Å; R295-C299 PolarHBondContact O-SG 2.89Å; S296-C299 PolarHBondContact O-N 2.86Å; V297-C299 VanDerWaalsContact C-N 3.33Å; V297-C299 PolarHBondContact O-N 2.92Å; C299-D301 VanDerWaalsContact C-N 3.34Å; C299-D301 PolarHBondContact O-N 2.67Å; C299-L302 PolarHBondContact O-N 3.38Å; C299-L303 WeakPolarHBondContact O-CB 3.41Å; C299-L303 VanDerWaalsContact O-CG 3.28Å; C299-L303 WeakPolarHBondContact O-CG 3.33Å; C299-L303 PolarHBondContact O-N 3.22Å
300D94.3Very high92.8Very high54 Ų5443.9 Ų43.929%0.28924%0.242SC..Hα-helixtrans-65.8-39.5-176.2-771.4000111.6Y165 K166 S296 V297 L303 A304Y165-D300 WeakPolarHBondContact CE1-OD1 3.3Å; Y165-D300 VanDerWaalsContact OH-CG 3.3Å; Y165-D300 PolarHBondContact OH-OD1 2.95Å; Y165-D300 PolarHBondContact OH-OD2 3.47Å; K166-D300 VanDerWaalsContact CE-OD1 3.27Å; K166-D300 WeakPolarHBondContact CE-OD1 3.49Å; K166-D300 IonicContact NZ-OD1 3.72Å; K166-D300 PolarHBondContact NZ-OD1 2.84Å; K166-D300 IonicContact NZ-OD2 3.3Å; K166-D300 PolarHBondContact NZ-OD2 3.08Å; S296-D300 VanDerWaalsContact O-CB 3.27Å; S296-D300 WeakPolarHBondContact O-CB 3.41Å; S296-D300 PolarHBondContact O-N 2.77Å; V297-D300 PolarHBondContact O-N 3.35Å; D300-L303 PolarHBondContact O-N 2.95Å; D300-A304 WeakPolarHBondContact O-CB 3.47Å; D300-A304 PolarHBondContact O-N 3.18Å
301D91.6Very high92.7Very high28 Ų2848 Ų4815%0.1526%0.26CS..Hα-helixtrans-68-42.4178.1-72.78.8000111.8P236 R273 I279 V297 C299 L303 A304 Q305P236-D301 HydrophobicContact CB-CB 3.68Å; P236-D301 HydrophobicContact CG-CB 4.48Å; R273-D301 IonicContact CZ-OD1 2.74Å; R273-D301 IonicContact NH1-OD1 3.34Å; R273-D301 PolarHBondContact NH1-OD1 2.78Å; R273-D301 IonicContact NH1-OD2 3.89Å; I279-D301 WeakPolarHBondContact CD1-OD2 3.47Å; V297-D301 WeakPolarHBondContact O-CB 3.37Å; V297-D301 PolarHBondContact O-N 3.18Å; C299-D301 VanDerWaalsContact C-N 3.34Å; C299-D301 PolarHBondContact O-N 2.67Å; D301-L303 VanDerWaalsContact C-N 3.34Å; D301-L303 PolarHBondContact O-N 3.44Å; D301-A304 PolarHBondContact O-N 3.2Å; D301-Q305 PolarHBondContact O-N 3.35Å
302L94.1Very high92.5Very high6 Ų655.3 Ų55.33%0.03129%0.287CS..Hα-helixtrans-65.5-39174.6-169.568000111.9R122 W170 A203 P236 A298 C299 R306R122-L302 HydrophobicContact CB-CD2 4.36Å; W170-L302 HydrophobicContact CE3-CD2 4.42Å; W170-L302 HydrophobicContact CH2-CB 4.16Å; W170-L302 HydrophobicContact CH2-CD2 4.16Å; W170-L302 HydrophobicContact CZ3-CB 4.12Å; W170-L302 HydrophobicContact CZ3-CD2 3.52Å; W170-L302 HydrophobicContact CZ3-CG 4.32Å; A203-L302 HydrophobicContact CB-CB 4.2Å; A203-L302 HydrophobicContact CB-CD2 4.38Å; P236-L302 HydrophobicContact CG-CB 3.88Å; P236-L302 HydrophobicContact CG-CD1 3.71Å; P236-L302 HydrophobicContact CG-CG 4.42Å; A298-L302 PolarHBondContact O-N 3.43Å; C299-L302 PolarHBondContact O-N 3.38Å; L302-R306 HydrophobicContact CG-CG 4.44Å; L302-R306 VanDerWaalsContact O-CB 3.3Å; L302-R306 WeakPolarHBondContact O-CB 3.46Å; L302-R306 VanDerWaalsContact O-CG 3.32Å; L302-R306 WeakPolarHBondContact O-CG 3.49Å; L302-R306 PolarHBondContact O-N 2.88Å
303L94.5Very high92.1Very high28 Ų2853.5 Ų53.515%0.14728%0.281CS..Hα-helixtrans-62.7-44.2174.8-74.9176.8000111.2K166 L168 W170 C299 D300 D301 R306 V307K166-L303 HydrophobicContact CD-CD1 4.12Å; L168-L303 HydrophobicContact CD1-CD1 4.42Å; L168-L303 HydrophobicContact CD1-CD2 3.79Å; W170-L303 HydrophobicContact CH2-CD1 4.47Å; W170-L303 HydrophobicContact CH2-CD2 4.08Å; W170-L303 HydrophobicContact CH2-CG 3.78Å; W170-L303 HydrophobicContact CZ2-CD1 3.9Å; W170-L303 HydrophobicContact CZ2-CD2 3.78Å; W170-L303 HydrophobicContact CZ2-CG 3.61Å; C299-L303 WeakPolarHBondContact O-CB 3.41Å; C299-L303 VanDerWaalsContact O-CG 3.28Å; C299-L303 WeakPolarHBondContact O-CG 3.33Å; C299-L303 PolarHBondContact O-N 3.22Å; D300-L303 PolarHBondContact O-N 2.95Å; D301-L303 VanDerWaalsContact C-N 3.34Å; D301-L303 PolarHBondContact O-N 3.44Å; L303-R306 PolarHBondContact O-N 3.17Å; L303-V307 WeakPolarHBondContact O-CB 3.1Å; L303-V307 VanDerWaalsContact O-CG2 3.22Å; L303-V307 WeakPolarHBondContact O-CG2 3.2Å; L303-V307 PolarHBondContact O-N 2.99Å
304A92.6Very high91.5Very high50 Ų5053.3 Ų53.341%0.41329%0.285SS..Hα-helixtrans-58.8-50.4178.400000111.4D300 D301 R306 V307 Q308D300-A304 WeakPolarHBondContact O-CB 3.47Å; D300-A304 PolarHBondContact O-N 3.18Å; D301-A304 PolarHBondContact O-N 3.2Å; A304-R306 PolarHBondContact O-N 3.19Å; A304-V307 PolarHBondContact O-N 3.49Å; A304-Q308 WeakPolarHBondContact O-CG 3.41Å; A304-Q308 PolarHBondContact O-N 3.16Å
305Q91.2Very high90.9Very high73 Ų7358.9 Ų58.934%0.34132%0.319SS..Hα-helixtrans-61.9-42.6177.4-69.7-1751.900112.4P236 D301 Q308 A309P236-Q305 VanDerWaalsContact CD-OE1 3.32Å; D301-Q305 PolarHBondContact O-N 3.35Å; Q305-Q308 PolarHBondContact O-N 2.83Å; Q305-A309 WeakPolarHBondContact O-CB 3.5Å; Q305-A309 PolarHBondContact O-N 2.76Å
306R92.3Very high90.1Very high46 Ų4661.8 Ų61.817%0.17434%0.338CS..Hα-helixtrans-67.3-39.2178.4-77.4-171.4170.6-146-0.5112.8D120 T121 Q201 L302 L303 A304 A309 K310D120-R306 PolarHBondContact O-NH1 3.14Å; D120-R306 PolarHBondContact O-NH2 2.91Å; T121-R306 VanDerWaalsContact C-NH1 3.26Å; T121-R306 PolarHBondContact O-NH1 3.24Å; T121-R306 PolarHBondContact O-NH2 3Å; Q201-R306 PolarHBondContact O-NH2 3.33Å; L302-R306 HydrophobicContact CG-CG 4.44Å; L302-R306 VanDerWaalsContact O-CB 3.3Å; L302-R306 WeakPolarHBondContact O-CB 3.46Å; L302-R306 VanDerWaalsContact O-CG 3.32Å; L302-R306 WeakPolarHBondContact O-CG 3.49Å; L302-R306 PolarHBondContact O-N 2.88Å; L303-R306 PolarHBondContact O-N 3.17Å; A304-R306 PolarHBondContact O-N 3.19Å; R306-A309 PolarHBondContact O-N 3.16Å; R306-K310 WeakPolarHBondContact O-CB 3.12Å; R306-K310 WeakPolarHBondContact O-CG 3.32Å; R306-K310 PolarHBondContact O-N 3.38Å
307V91.5Very high88.8Confident79 Ų7966.8 Ų66.848%0.47937%0.37SS..Hα-helixtrans-64.1-44.2175.2169.80000109.8L303 A304 A309 K310 I311L303-V307 WeakPolarHBondContact O-CB 3.1Å; L303-V307 VanDerWaalsContact O-CG2 3.22Å; L303-V307 WeakPolarHBondContact O-CG2 3.2Å; L303-V307 PolarHBondContact O-N 2.99Å; A304-V307 PolarHBondContact O-N 3.49Å; V307-A309 PolarHBondContact O-N 3.26Å; V307-K310 PolarHBondContact O-N 3.11Å; V307-I311 HydrophobicContact CG1-CD1 3.83Å; V307-I311 HydrophobicContact CG1-CG1 4.4Å; V307-I311 VanDerWaalsContact O-CG1 3.32Å; V307-I311 WeakPolarHBondContact O-CG1 3.3Å; V307-I311 PolarHBondContact O-N 2.65Å
308Q91.1Very high87.4Confident113 Ų11369.5 Ų69.553%0.52840%0.402SS..Hα-helixtrans-61.2-41.4174.4-72175.7-3.700112.7A304 Q305 K310 I311 R312A304-Q308 WeakPolarHBondContact O-CG 3.41Å; A304-Q308 PolarHBondContact O-N 3.16Å; Q305-Q308 PolarHBondContact O-N 2.83Å; Q308-K310 VanDerWaalsContact C-N 3.35Å; Q308-I311 PolarHBondContact O-N 3.26Å; Q308-R312 WeakPolarHBondContact O-CG 3.34Å; Q308-R312 PolarHBondContact O-N 3.15Å; Q308-R312 PolarHBondContact O-NE 2.94Å
309A89.4Confident85.8Confident46 Ų4671.1 Ų71.138%0.3842%0.418SS..Hα-helixtrans-63.1-40.5174.500000112Q305 R306 V307 R312 A313Q305-A309 WeakPolarHBondContact O-CB 3.5Å; Q305-A309 PolarHBondContact O-N 2.76Å; R306-A309 PolarHBondContact O-N 3.16Å; V307-A309 PolarHBondContact O-N 3.26Å; A309-R312 PolarHBondContact O-N 2.96Å; A309-A313 WeakPolarHBondContact O-CB 3.37Å; A309-A313 PolarHBondContact O-N 3.05Å
310K88.1Confident83.9Confident132 Ų13279 Ų7957%0.57446%0.46SS*.Hα-helixtrans-66.4-41.2175.8-77-174.7176.3-165.90113.1R306 V307 Q308 A313 A314R306-K310 WeakPolarHBondContact O-CB 3.12Å; R306-K310 WeakPolarHBondContact O-CG 3.32Å; R306-K310 PolarHBondContact O-N 3.38Å; V307-K310 PolarHBondContact O-N 3.11Å; Q308-K310 VanDerWaalsContact C-N 3.35Å; K310-A313 PolarHBondContact O-N 2.69Å; K310-A314 WeakPolarHBondContact O-CB 3.22Å; K310-A314 PolarHBondContact O-N 3.42Å
311I88.4Confident82.1Confident101 Ų10180.1 Ų80.152%0.51847%0.469SS..Hα-helixtrans-61.5-47175.3-68.3166.2000109.6V307 Q308 A313 A314 T315V307-I311 HydrophobicContact CG1-CD1 3.83Å; V307-I311 HydrophobicContact CG1-CG1 4.4Å; V307-I311 VanDerWaalsContact O-CG1 3.32Å; V307-I311 WeakPolarHBondContact O-CG1 3.3Å; V307-I311 PolarHBondContact O-N 2.65Å; Q308-I311 PolarHBondContact O-N 3.26Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 2.97Å; I311-A314 PolarHBondContact O-N 2.86Å; I311-A314 VanDerWaalsContact O-N 3.15Å; I311-T315 PolarHBondContact O-N 3.42Å; I311-T315 VanDerWaalsContact O-N 3.14Å; I311-T315 PolarHBondContact O-OG1 3.08Å; I311-T315 VanDerWaalsContact O-OG1 3.1Å
312R88Confident81.1Confident162 Ų16285.1 Ų85.161%0.61150%0.496SS*.Hα-helixtrans-57.7-43.1175.4-75.1-177.3-77.2174.7-5.4112.4Q308 A309 T315Q308-R312 WeakPolarHBondContact O-CG 3.34Å; Q308-R312 PolarHBondContact O-N 3.15Å; Q308-R312 PolarHBondContact O-NE 2.94Å; A309-R312 PolarHBondContact O-N 2.96Å; R312-T315 PolarHBondContact O-N 3.2Å
313A86.1Confident80.4Confident52 Ų5288.6 Ų88.643%0.4351%0.514SS..Hα-helixtrans-66.9-35177.100000113A309 K310 I311 L316A309-A313 WeakPolarHBondContact O-CB 3.37Å; A309-A313 PolarHBondContact O-N 3.05Å; K310-A313 PolarHBondContact O-N 2.69Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 2.97Å; A313-L316 PolarHBondContact O-N 3.19Å
314A81.9Confident79.8Confident51 Ų5190.2 Ų90.242%0.42153%0.527SS..Hα-helixtrans-71.1-27.3178.500000113.3K310 I311 L316K310-A314 WeakPolarHBondContact O-CB 3.22Å; K310-A314 PolarHBondContact O-N 3.42Å; I311-A314 PolarHBondContact O-N 2.86Å; I311-A314 VanDerWaalsContact O-N 3.15Å; A314-L316 VanDerWaalsContact C-N 3.27Å; A314-L316 PolarHBondContact O-N 3.18Å
315T81.6Confident79.5Confident116 Ų11693.8 Ų93.871%0.71254%0.539SS*.Hα-helixtrans-72.5-19176-49.60000112.9I311 R312I311-T315 PolarHBondContact O-N 3.42Å; I311-T315 VanDerWaalsContact O-N 3.14Å; I311-T315 PolarHBondContact O-OG1 3.08Å; I311-T315 VanDerWaalsContact O-OG1 3.1Å; R312-T315 PolarHBondContact O-N 3.2Å
316L77.1Confident79.3Confident115 Ų115100.7 Ų100.760%0.60256%0.562SS**SBendtrans-75.8137.6-179.9-70162.4000111.3A313 A314 G318 G319A313-L316 PolarHBondContact O-N 3.19Å; A314-L316 VanDerWaalsContact C-N 3.27Å; A314-L316 PolarHBondContact O-N 3.18Å; L316-G318 PolarHBondContact O-N 2.81Å; L316-G318 VanDerWaalsContact O-N 3.15Å; L316-G319 PolarHBondContact O-N 2.89Å
317P67.1Low79.1Confident134 Ų134105 Ų10587%0.8759%0.588SS**THydrogen-bonded Turntrans-61118.5176.624-31.3000110.1
318G65.7Low78.9Confident74 Ų74109.2 Ų109.276%0.76360%0.596SS**THydrogen-bonded Turntrans103.2-0.2-173.400000115.2L316 N320L316-G318 PolarHBondContact O-N 2.81Å; L316-G318 VanDerWaalsContact O-N 3.15Å; G318-N320 PolarHBondContact O-N 2.73Å
319G59Low79.1Confident34 Ų34110.6 Ų110.635%0.35161%0.606SS.*  trans-67.194.8173.400000112.6L316 V321L316-G319 PolarHBondContact O-N 2.89Å; G319-V321 VanDerWaalsContact C-N 3.25Å; G319-V321 PolarHBondContact O-N 2.9Å
320N55.3Low79.2Confident165 Ų165112 Ų11288%0.88262%0.617SS**  trans-71.566178.6-84.5-18.3000113.5G318G318-N320 PolarHBondContact O-N 2.73Å
321V57.5Low79.4Confident77 Ų77114.1 Ų114.147%0.46763%0.626SS.*  trans-135.668.2173.2-166.20000110.7G319 I323G319-V321 VanDerWaalsContact C-N 3.25Å; G319-V321 PolarHBondContact O-N 2.9Å; V321-I323 HydrophobicContact CG1-CB 4.11Å; V321-I323 HydrophobicContact CG1-CD1 3.24Å; V321-I323 HydrophobicContact CG1-CG1 3.47Å; V321-I323 VanDerWaalsContact CG1-CG1 3.47Å; V321-I323 PolarHBondContact O-N 3.37Å
322D69.9Low79.3Confident134 Ų134115.2 Ų115.272%0.71764%0.64SS**  trans-79.555.1174.3-134.53.5000111.1S324D322-S324 VanDerWaalsContact C-N 3.3Å; D322-S324 PolarHBondContact OD1-OG 2.82Å
323I80.4Confident79.1Confident79 Ų79116.9 Ų116.941%0.40565%0.652SS.*  trans-85.7-8.6177.3-60.7176.8000110.8V321 N325 R326 L327V321-I323 HydrophobicContact CG1-CB 4.11Å; V321-I323 HydrophobicContact CG1-CD1 3.24Å; V321-I323 HydrophobicContact CG1-CG1 3.47Å; V321-I323 VanDerWaalsContact CG1-CG1 3.47Å; V321-I323 PolarHBondContact O-N 3.37Å; I323-N325 PolarHBondContact O-N 2.83Å; I323-R326 HydrophobicContact CG2-CB 4.22Å; I323-R326 WeakPolarHBondContact O-CA 3.48Å; I323-R326 WeakPolarHBondContact O-CB 3.23Å; I323-R326 PolarHBondContact O-N 2.82Å; I323-L327 HydrophobicContact CG2-CD1 4.42Å; I323-L327 HydrophobicContact CG2-CG 4.17Å; I323-L327 PolarHBondContact O-N 3.23Å
324S81.6Confident78.8Confident61 Ų61119.8 Ų119.843%0.42767%0.667SS.*Hα-helixtrans-43.9-48.2176.154.10000112.5D322 R326 L327 Y328D322-S324 VanDerWaalsContact C-N 3.3Å; D322-S324 PolarHBondContact OD1-OG 2.82Å; S324-R326 PolarHBondContact O-N 3.24Å; S324-L327 PolarHBondContact O-N 3.49Å; S324-Y328 PolarHBondContact O-N 2.61Å; S324-Y328 VanDerWaalsContact O-N 3.07Å
325N85.8Confident78.3Confident125 Ų125121.8 Ų121.867%0.66867%0.67SS**Hα-helixtrans-62.2-26.5179.3-65.9-25.6000114I323I323-N325 PolarHBondContact O-N 2.83Å
326R87.9Confident77.5Confident219 Ų219124.9 Ų124.983%0.82668%0.677SS**Hα-helixtrans-87-27.7177.9-59.7-175.2-178.5-175.50.4112.9I323 S324I323-R326 HydrophobicContact CG2-CB 4.22Å; I323-R326 WeakPolarHBondContact O-CA 3.48Å; I323-R326 WeakPolarHBondContact O-CB 3.23Å; I323-R326 PolarHBondContact O-N 2.82Å; S324-R326 PolarHBondContact O-N 3.24Å
327L86.7Confident76.9Confident136 Ų136126.6 Ų126.671%0.71269%0.686SS**Hα-helixtrans-79.6-25.7177.1-65.3173.1000111.7I323 S324 I329I323-L327 HydrophobicContact CG2-CD1 4.42Å; I323-L327 HydrophobicContact CG2-CG 4.17Å; I323-L327 PolarHBondContact O-N 3.23Å; S324-L327 PolarHBondContact O-N 3.49Å; L327-I329 PolarHBondContact O-N 2.75Å
328Y89.3Confident76.6Confident167 Ų167126.1 Ų126.166%0.65567%0.67SS**  trans-68.7118.7178.1-179.8-103.7000111.6S324 A330S324-Y328 PolarHBondContact O-N 2.61Å; S324-Y328 VanDerWaalsContact O-N 3.07Å; Y328-A330 HydrophobicContact CE1-CB 3.91Å
329I93.3Very high76.5Confident143 Ų143129 Ų12973%0.73367%0.674SS**  trans-94.1111.3170.1-58.7174000107.6L327 K331L327-I329 PolarHBondContact O-N 2.75Å; I329-K331 PolarHBondContact O-N 2.87Å
330A92.8Very high77Confident75 Ų75134 Ų13462%0.6269%0.693SS**PPolyproline II helixtrans-62.4126.7177.100000110.6Y328Y328-A330 HydrophobicContact CE1-CB 3.91Å
331K91.4Very high77.7Confident176 Ų176130 Ų13077%0.76568%0.682SS**PPolyproline II helixtrans-96.7132.3171.1-64.3-175.6-179.5-179.70108.7I329 K333I329-K331 PolarHBondContact O-N 2.87Å; K331-K333 PolarHBondContact O-N 2.86Å
332P87.2Confident78.6Confident125 Ų125130.5 Ų130.581%0.81269%0.687SS**PPolyproline II helixtrans-61132.3174.926.2-32.6000109.3
333K84.4Confident79.2Confident196 Ų196129.3 Ų129.385%0.85269%0.689SS**PPolyproline II helixtrans-72.5134.2174.7-66.9-177179.5-177.90108.8K331 D335K331-K333 PolarHBondContact O-N 2.86Å; K333-D335 PolarHBondContact O-N 2.92Å
334P78.1Confident79.5Confident114 Ų114136.2 Ų136.274%0.7471%0.71SS**PPolyproline II helixtrans-61.8131.2168.827.1-31.9000108.6E336P334-E336 PolarHBondContact O-N 2.95Å
335D72.8Confident79.9Confident92 Ų92137.2 Ų137.249%0.49272%0.715SS.*  trans-79.798177-162.34.9000107.4K333 N337 K338K333-D335 PolarHBondContact O-N 2.92Å; D335-N337 PolarHBondContact O-N 2.89Å; D335-K338 PolarHBondContact O-N 3.5Å; D335-K338 VanDerWaalsContact O-N 3.14Å; D335-K338 IonicContact OD2-NZ 2.65Å; D335-K338 PolarHBondContact OD2-NZ 2.82Å
336E65Low80.3Confident182 Ų182136.6 Ų136.685%0.8572%0.718SS**THydrogen-bonded Turntrans-58.3-21.8-172.7-67.6-176.7174.400113.4P334P334-E336 PolarHBondContact O-N 2.95Å
337N63.6Low80.5Confident151 Ų151134 Ų13481%0.80772%0.719SS**THydrogen-bonded Turntrans-87.4-0.5-177.2-66.7-27.1000114.3D335D335-N337 PolarHBondContact O-N 2.89Å
338K61Low80.8Confident123 Ų123131.5 Ų131.554%0.53571%0.705SS.*  trans-121.397.9176.2-73.8176.1-174.9149.10109.9D335 D340D335-K338 PolarHBondContact O-N 3.5Å; D335-K338 VanDerWaalsContact O-N 3.14Å; D335-K338 IonicContact OD2-NZ 2.65Å; D335-K338 PolarHBondContact OD2-NZ 2.82Å; K338-D340 PolarHBondContact O-N 2.88Å
339T62.6Low81.1Confident136 Ų136127.5 Ų127.583%0.83470%0.7SS**SBendtrans-58-24.3169.241.90000112.3
340D70.3Confident81.2Confident139 Ų139126.5 Ų126.574%0.74370%0.696SS**SBendtrans-120.681.2176.9-60.6-48.5000111.2K338K338-D340 PolarHBondContact O-N 2.88Å
341A69.3Low81.1Confident79 Ų79125.1 Ų125.165%0.65369%0.689SS**PPolyproline II helixtrans-67.3126170.200000109.8S343A341-S343 PolarHBondContact O-N 3.49Å
342P77.5Confident81.2Confident88 Ų88120.4 Ų120.457%0.57168%0.675SS**PPolyproline II helixtrans-64.4128.2179.324.8-32.8000110.4R344P342-R344 PolarHBondContact O-N 3.05Å
343S83.1Confident81.5Confident110 Ų110117.1 Ų117.177%0.76965%0.65SS**PPolyproline II helixtrans-62.8125.2175.6-174.50000110.6A341 P345A341-S343 PolarHBondContact O-N 3.49Å; S343-P345 VanDerWaalsContact O-CD 3.3Å; S343-P345 WeakPolarHBondContact O-CD 3.2Å
344R86Confident81.9Confident223 Ų223111.5 Ų111.584%0.84263%0.629SS**  trans-11867.3178.7-62-178.4-175.7-151.7-1.2110.8P342P342-R344 PolarHBondContact O-N 3.05Å
345P90.5Very high82.3Confident83 Ų83112.9 Ų112.954%0.53962%0.624SS.*  trans-67.4155.4178.330.5-35000110.9S343 I347S343-P345 VanDerWaalsContact O-CD 3.3Å; S343-P345 WeakPolarHBondContact O-CD 3.2Å; P345-I347 PolarHBondContact O-N 3.31Å
346P92.9Very high83Confident112 Ų112113.4 Ų113.473%0.72762%0.623SS**  trans-64.4123170.327.7-33.3000109.9I348P346-I348 HydrophobicContact CB-CG1 4.4Å; P346-I348 PolarHBondContact O-N 2.79Å
347I92.4Very high84.1Confident164 Ų164110.7 Ų110.784%0.84161%0.609SS**  trans-87.194.1178.6-56174.2000108.4P345P345-I347 PolarHBondContact O-N 3.31Å
348I93.7Very high85.2Confident84 Ų84111 Ų11143%0.43160%0.603SS.*  trans-107.5118.1177.1-53.1175.2000108.3P346 V352 L353P346-I348 HydrophobicContact CB-CG1 4.4Å; P346-I348 PolarHBondContact O-N 2.79Å; I348-V352 HydrophobicContact CG2-CB 4.1Å; I348-V352 HydrophobicContact CG2-CG1 4.19Å; I348-L353 HydrophobicContact CB-CD2 4.35Å; I348-L353 HydrophobicContact CB-CG 4.46Å; I348-L353 HydrophobicContact CG2-CD2 3.78Å; I348-L353 HydrophobicContact CG2-CG 3.87Å
349P95.2Very high86.2Confident83 Ų83114 Ų11454%0.53961%0.611SS.*  trans-62.7144178.8-22.532.8000112.7G351 V352 L353P349-G351 PolarHBondContact O-N 3.26Å; P349-G351 VanDerWaalsContact O-N 3.15Å; P349-V352 HydrophobicContact CB-CG2 4.47Å; P349-V352 WeakPolarHBondContact O-CB 3.37Å; P349-V352 PolarHBondContact O-N 3.01Å; P349-L353 PolarHBondContact O-N 2.94Å
350D94.4Very high87.2Confident122 Ų122111.4 Ų111.465%0.65259%0.591SS**Hα-helixtrans-55.2-36.8-179.5-65.8-35000112.8V352 L353 D354D350-V352 PolarHBondContact O-N 2.94Å; D350-L353 PolarHBondContact O-N 3.45Å; D350-L353 VanDerWaalsContact O-N 3.12Å; D350-D354 PolarHBondContact O-N 3Å
351G92.7Very high87.8Confident46 Ų46109.6 Ų109.647%0.47458%0.58SS.*Hα-helixtrans-62.1-24.8176.600000114.6P349 K355P349-G351 PolarHBondContact O-N 3.26Å; P349-G351 VanDerWaalsContact O-N 3.15Å; G351-K355 VanDerWaalsContact O-CG 3.32Å; G351-K355 WeakPolarHBondContact O-CG 3.41Å; G351-K355 PolarHBondContact O-N 2.98Å
352V93Very high88.2Confident77 Ų77110.4 Ų110.447%0.46757%0.569SS.*Hα-helixtrans-81.7-42.2173.5-179.90000110.2I348 P349 D350 D354 K355 Q356I348-V352 HydrophobicContact CG2-CB 4.1Å; I348-V352 HydrophobicContact CG2-CG1 4.19Å; P349-V352 HydrophobicContact CB-CG2 4.47Å; P349-V352 WeakPolarHBondContact O-CB 3.37Å; P349-V352 PolarHBondContact O-N 3.01Å; D350-V352 PolarHBondContact O-N 2.94Å; V352-D354 VanDerWaalsContact C-N 3.32Å; V352-D354 PolarHBondContact O-N 3.38Å; V352-K355 PolarHBondContact O-N 3.44Å; V352-Q356 WeakPolarHBondContact O-CB 3.32Å; V352-Q356 PolarHBondContact O-N 3.28Å
353L92.8Very high88Confident56 Ų56114.8 Ų114.829%0.29357%0.574SS.*Hα-helixtrans-60.3-41.8176.2-65.8176.3000111.3I348 P349 D350 Q356 K357I348-L353 HydrophobicContact CB-CD2 4.35Å; I348-L353 HydrophobicContact CB-CG 4.46Å; I348-L353 HydrophobicContact CG2-CD2 3.78Å; I348-L353 HydrophobicContact CG2-CG 3.87Å; P349-L353 PolarHBondContact O-N 2.94Å; D350-L353 PolarHBondContact O-N 3.45Å; D350-L353 VanDerWaalsContact O-N 3.12Å; L353-Q356 WeakPolarHBondContact O-CB 3.38Å; L353-Q356 PolarHBondContact O-N 3.42Å; L353-K357 WeakPolarHBondContact O-CG 3.36Å; L353-K357 PolarHBondContact O-N 3.33Å
354D92.4Very high87.8Confident77 Ų77114.1 Ų114.141%0.41256%0.562SS.*Hα-helixtrans-68.1-38177.4-73.3-17.1000112.7D350 V352 Q356 K357 K358D350-D354 PolarHBondContact O-N 3Å; V352-D354 VanDerWaalsContact C-N 3.32Å; V352-D354 PolarHBondContact O-N 3.38Å; D354-Q356 VanDerWaalsContact C-N 3.3Å; D354-Q356 PolarHBondContact O-N 2.98Å; D354-K357 PolarHBondContact O-N 2.83Å; D354-K357 IonicContact OD1-NZ 2.61Å; D354-K357 PolarHBondContact OD1-NZ 3.21Å; D354-K358 WeakPolarHBondContact O-CG 3.47Å; D354-K358 PolarHBondContact O-N 2.83Å
355K88.1Confident87.4Confident143 Ų143112.7 Ų112.762%0.62256%0.557SS**Hα-helixtrans-62.4-39.8171-78176.5-177.6178.50111.4G351 V352 K358 R359G351-K355 VanDerWaalsContact O-CG 3.32Å; G351-K355 WeakPolarHBondContact O-CG 3.41Å; G351-K355 PolarHBondContact O-N 2.98Å; V352-K355 PolarHBondContact O-N 3.44Å; K355-K358 PolarHBondContact O-N 3.05Å; K355-R359 WeakPolarHBondContact O-CB 3.47Å; K355-R359 WeakPolarHBondContact O-CG 3.32Å; K355-R359 PolarHBondContact O-N 3.07Å
356Q86Confident86.4Confident104 Ų104110.1 Ų110.149%0.48654%0.538SS..Hα-helixtrans-65-46.5176.4-171.61795.900111.1V352 L353 D354 K358 R359 I360V352-Q356 WeakPolarHBondContact O-CB 3.32Å; V352-Q356 PolarHBondContact O-N 3.28Å; L353-Q356 WeakPolarHBondContact O-CB 3.38Å; L353-Q356 PolarHBondContact O-N 3.42Å; D354-Q356 VanDerWaalsContact C-N 3.3Å; D354-Q356 PolarHBondContact O-N 2.98Å; Q356-K358 PolarHBondContact O-N 3.42Å; Q356-R359 PolarHBondContact O-N 3.47Å; Q356-I360 HydrophobicContact CG-CD1 4Å; Q356-I360 WeakPolarHBondContact O-CG1 3.19Å; Q356-I360 PolarHBondContact O-N 2.83Å
357K88.5Confident85.3Confident125 Ų125107.9 Ų107.954%0.54353%0.529SS..Hα-helixtrans-56.3-48.7174-71.7172.6-172.1165.20111.7L353 D354 R359 I360 L361L353-K357 WeakPolarHBondContact O-CG 3.36Å; L353-K357 PolarHBondContact O-N 3.33Å; D354-K357 PolarHBondContact O-N 2.83Å; D354-K357 IonicContact OD1-NZ 2.61Å; D354-K357 PolarHBondContact OD1-NZ 3.21Å; K357-R359 VanDerWaalsContact C-N 3.34Å; K357-R359 PolarHBondContact O-N 3.43Å; K357-I360 PolarHBondContact O-N 3.22Å; K357-L361 WeakPolarHBondContact O-CB 3.39Å; K357-L361 PolarHBondContact O-N 2.56Å
358K85.8Confident84.2Confident157 Ų157106.5 Ų106.568%0.68352%0.523SS*.Hα-helixtrans-58.9-42.6176.7-74.1178.9-178.6-178.70112.2D354 K355 Q356 K362D354-K358 WeakPolarHBondContact O-CG 3.47Å; D354-K358 PolarHBondContact O-N 2.83Å; K355-K358 PolarHBondContact O-N 3.05Å; Q356-K358 PolarHBondContact O-N 3.42Å; K358-K362 WeakPolarHBondContact O-CB 3.1Å; K358-K362 PolarHBondContact O-N 3.26Å
359R82.3Confident82.7Confident186 Ų186105 Ų10570%0.70252%0.52SS*.Hα-helixtrans-65.4-41.2176.6-77.6176170.7-179.1-4112.6K355 Q356 K357 K362 R363K355-R359 WeakPolarHBondContact O-CB 3.47Å; K355-R359 WeakPolarHBondContact O-CG 3.32Å; K355-R359 PolarHBondContact O-N 3.07Å; Q356-R359 PolarHBondContact O-N 3.47Å; K357-R359 VanDerWaalsContact C-N 3.34Å; K357-R359 PolarHBondContact O-N 3.43Å; R359-K362 PolarHBondContact O-N 2.7Å; R359-R363 WeakPolarHBondContact O-CG 3.46Å; R359-R363 PolarHBondContact O-N 3.1Å
360I83.7Confident81Confident82 Ų82109.1 Ų109.142%0.42154%0.537SS..Hα-helixtrans-64.1-47.8176.4-69166.4000110.2Q356 K357 K362 R363 L364Q356-I360 HydrophobicContact CG-CD1 4Å; Q356-I360 WeakPolarHBondContact O-CG1 3.19Å; Q356-I360 PolarHBondContact O-N 2.83Å; K357-I360 PolarHBondContact O-N 3.22Å; I360-K362 VanDerWaalsContact C-N 3.3Å; I360-K362 PolarHBondContact O-N 3.35Å; I360-R363 PolarHBondContact O-N 3.27Å; I360-R363 VanDerWaalsContact O-N 3.15Å; I360-L364 HydrophobicContact CG2-CD1 3.97Å; I360-L364 HydrophobicContact CG2-CG 4.41Å; I360-L364 WeakPolarHBondContact O-CG 3.27Å; I360-L364 PolarHBondContact O-N 2.85Å
361L84.2Confident79.1Confident100 Ų100108.6 Ų108.652%0.52453%0.53SS..Hα-helixtrans-57.3-42175.2-79.9160.7000112K357 L364 R365K357-L361 WeakPolarHBondContact O-CB 3.39Å; K357-L361 PolarHBondContact O-N 2.56Å; L361-L364 PolarHBondContact O-N 2.91Å; L361-R365 WeakPolarHBondContact O-CG 3.2Å; L361-R365 PolarHBondContact O-N 3.2Å
362K77.5Confident77.2Confident97 Ų97110.1 Ų110.142%0.42253%0.532SS..Hα-helixtrans-61-46.8174.7-171.4-178.2-179.8-175.80111.7K358 R359 I360 L364 R365 I366 E379K358-K362 WeakPolarHBondContact O-CB 3.1Å; K358-K362 PolarHBondContact O-N 3.26Å; R359-K362 PolarHBondContact O-N 2.7Å; I360-K362 VanDerWaalsContact C-N 3.3Å; I360-K362 PolarHBondContact O-N 3.35Å; K362-L364 PolarHBondContact O-N 3.23Å; K362-R365 PolarHBondContact O-N 3.22Å; K362-I366 HydrophobicContact CG-CD1 4.1Å; K362-I366 WeakPolarHBondContact O-CG1 3.47Å; K362-I366 PolarHBondContact O-N 2.87Å; K362-E379 WeakPolarHBondContact CE-OE2 3.43Å; K362-E379 IonicContact NZ-OE2 3.5Å; K362-E379 PolarHBondContact NZ-OE2 2.74Å
363R73.1Confident75.3Confident179 Ų179114.5 Ų114.568%0.67554%0.541SS*.Hα-helixtrans-62-40.2177-75.8-177.9179.1178.4-1.4112.8R359 I360 I366 A367R359-R363 WeakPolarHBondContact O-CG 3.46Å; R359-R363 PolarHBondContact O-N 3.1Å; I360-R363 PolarHBondContact O-N 3.27Å; I360-R363 VanDerWaalsContact O-N 3.15Å; R363-I366 PolarHBondContact O-N 2.92Å; R363-A367 WeakPolarHBondContact O-CB 3.49Å; R363-A367 PolarHBondContact O-N 3.5Å
364L78.9Confident73.3Confident97 Ų97116.1 Ų116.151%0.50856%0.558SS.*Hα-helixtrans-65.3-40.8176.3-71.5170000111.8I360 L361 K362 A367 N368I360-L364 HydrophobicContact CG2-CD1 3.97Å; I360-L364 HydrophobicContact CG2-CG 4.41Å; I360-L364 WeakPolarHBondContact O-CG 3.27Å; I360-L364 PolarHBondContact O-N 2.85Å; L361-L364 PolarHBondContact O-N 2.91Å; K362-L364 PolarHBondContact O-N 3.23Å; L364-A367 PolarHBondContact O-N 3.37Å; L364-N368 VanDerWaalsContact O-CG 3.3Å; L364-N368 PolarHBondContact O-N 2.85Å; L364-N368 VanDerWaalsContact O-N 3.07Å
365R77Confident71.1Confident193 Ų193118.6 Ų118.673%0.72857%0.567SS**Hα-helixtrans-60.2-44.9173.3-73.9178.3-179.1-178.4-0.8111.8L361 K362 N368 S369L361-R365 WeakPolarHBondContact O-CG 3.2Å; L361-R365 PolarHBondContact O-N 3.2Å; K362-R365 PolarHBondContact O-N 3.22Å; R365-N368 PolarHBondContact O-N 3.45Å; R365-S369 WeakPolarHBondContact O-CB 3.48Å; R365-S369 PolarHBondContact O-N 2.83Å; R365-S369 PolarHBondContact O-OG 2.92Å
366I69.3Low69.3Low28 Ų28113.4 Ų113.414%0.14455%0.545CS..Hα-helixtrans-60.7-49.8177.1-72.3162.5000110.8K362 R363 N368 S369 L376K362-I366 HydrophobicContact CG-CD1 4.1Å; K362-I366 WeakPolarHBondContact O-CG1 3.47Å; K362-I366 PolarHBondContact O-N 2.87Å; R363-I366 PolarHBondContact O-N 2.92Å; I366-N368 PolarHBondContact O-N 3.01Å; I366-S369 WeakPolarHBondContact CA-OG 3.49Å; I366-S369 PolarHBondContact O-N 3.35Å; I366-S369 PolarHBondContact O-OG 3.33Å; I366-L376 HydrophobicContact CB-CD1 4.26Å; I366-L376 HydrophobicContact CD1-CD1 4Å; I366-L376 HydrophobicContact CD1-CD2 4.11Å; I366-L376 HydrophobicContact CG1-CD1 3.93Å; I366-L376 HydrophobicContact CG1-CD2 4.17Å; I366-L376 HydrophobicContact CG2-CD1 3.35Å
367A70.2Confident67.5Low66 Ų66116.1 Ų116.155%0.54556%0.558SS.*Hα-helixtrans-57.9-36.5179.700000112.4R363 L364R363-A367 WeakPolarHBondContact O-CB 3.49Å; R363-A367 PolarHBondContact O-N 3.5Å; L364-A367 PolarHBondContact O-N 3.37Å
368N69.3Low65.6Low135 Ų135115.7 Ų115.772%0.72256%0.562SS**Hα-helixtrans-76.4-22.4176.3-68.9-11000113.4L364 R365 I366 L370L364-N368 VanDerWaalsContact O-CG 3.3Å; L364-N368 PolarHBondContact O-N 2.85Å; L364-N368 VanDerWaalsContact O-N 3.07Å; R365-N368 PolarHBondContact O-N 3.45Å; I366-N368 PolarHBondContact O-N 3.01Å; N368-L370 VanDerWaalsContact C-N 3.35Å; N368-L370 PolarHBondContact O-N 3.02Å
369S63.1Low63.8Low52 Ų52112.4 Ų112.436%0.36455%0.549SS..THydrogen-bonded Turntrans-81.6-4.2-173.966.60000115.2R365 I366 Q371R365-S369 WeakPolarHBondContact O-CB 3.48Å; R365-S369 PolarHBondContact O-N 2.83Å; R365-S369 PolarHBondContact O-OG 2.92Å; I366-S369 WeakPolarHBondContact CA-OG 3.49Å; I366-S369 PolarHBondContact O-N 3.35Å; I366-S369 PolarHBondContact O-OG 3.33Å; S369-Q371 PolarHBondContact O-N 3.4Å
370L57.9Low62.3Low170 Ų170108.6 Ų108.689%0.8954%0.543SS*.THydrogen-bonded Turntrans53.314.4179.4-99.2151.7000114.7N368N368-L370 VanDerWaalsContact C-N 3.35Å; N368-L370 PolarHBondContact O-N 3.02Å
371Q54.6Low60.7Low110 Ų110111.5 Ų111.551%0.51456%0.559SS.*  trans-81.8140.1179.1-73.2-177.3-5.200110.9S369 Y373S369-Q371 PolarHBondContact O-N 3.4Å; Q371-Y373 PolarHBondContact O-N 3.15Å
372P52.8Low59.5Low79 Ų79110.6 Ų110.651%0.51355%0.554SS.*  trans-59133179.2-20.730.9000111.9S374 Q375P372-S374 PolarHBondContact O-N 3.33Å; P372-Q375 PolarHBondContact O-N 3.04Å
373Y53.7Low58.6Low168 Ų168112.3 Ų112.366%0.65958%0.576SS**G310 helixtrans-53.8-23.2178.2-103.5-92.9000114.2Q371 Q375 L376Q371-Y373 PolarHBondContact O-N 3.15Å; Y373-Q375 PolarHBondContact O-N 3.12Å; Y373-L376 PolarHBondContact O-N 3.43Å
374S50.3Low58.4Low91 Ų91108.2 Ų108.264%0.63658%0.575SS**G310 helixtrans-67.8-18-177.555.90000114.7P372P372-S374 PolarHBondContact O-N 3.33Å
375Q47.9Very low58Low128 Ų128107.8 Ų107.860%0.59857%0.569SS**G310 helixtrans-92.8-0.1178.3-69-178.7-15.100113.2P372 Y373P372-Q375 PolarHBondContact O-N 3.04Å; Y373-Q375 PolarHBondContact O-N 3.12Å
376L48.9Very low57.8Low34 Ų34108.5 Ų108.518%0.17857%0.571CS.*SBendtrans-107.7-10.5-169.9-70.1164.2000114I366 Y373I366-L376 HydrophobicContact CB-CD1 4.26Å; I366-L376 HydrophobicContact CD1-CD1 4Å; I366-L376 HydrophobicContact CD1-CD2 4.11Å; I366-L376 HydrophobicContact CG1-CD1 3.93Å; I366-L376 HydrophobicContact CG1-CD2 4.17Å; I366-L376 HydrophobicContact CG2-CD1 3.35Å; Y373-L376 PolarHBondContact O-N 3.43Å
377E48.9Very low58.4Low162 Ų162112.6 Ų112.676%0.75759%0.585SS**G310 helixtrans-72.1-21.4170.4-65.6-170.5168.900111.4E379E377-E379 VanDerWaalsContact C-N 3.33Å; E377-E379 PolarHBondContact O-N 2.9Å
378D47.3Very low59.2Low115 Ų115112.7 Ų112.762%0.61558%0.579SS**G310 helixtrans-84.6-0.1179.7-58.2-33.6000113.7D380 D381D378-D380 PolarHBondContact O-N 3.28Å; D378-D380 VanDerWaalsContact O-N 3.09Å; D378-D381 PolarHBondContact O-N 3.38Å
379E49.6Very low60Low88 Ų88109 Ų10941%0.41156%0.558SS.*G310 helixtrans-74.17.1173-86.7-159-16100113.9K362 E377 D381 N382K362-E379 WeakPolarHBondContact CE-OE2 3.43Å; K362-E379 IonicContact NZ-OE2 3.5Å; K362-E379 PolarHBondContact NZ-OE2 2.74Å; E377-E379 VanDerWaalsContact C-N 3.33Å; E377-E379 PolarHBondContact O-N 2.9Å; E379-D381 PolarHBondContact O-N 2.91Å; E379-N382 PolarHBondContact O-N 3.45Å
380D49.9Very low61.2Low107 Ų107116.1 Ų116.157%0.57258%0.577SS**G310 helixtrans-60.4-16.4161.6-90.4-24.9000112.6D378 N382 K385D378-D380 PolarHBondContact O-N 3.28Å; D378-D380 VanDerWaalsContact O-N 3.09Å; D380-N382 VanDerWaalsContact C-N 3.33Å; D380-N382 PolarHBondContact O-N 3.14Å; D380-K385 VanDerWaalsContact O-CD 3.3Å; D380-K385 WeakPolarHBondContact O-CD 3.34Å; D380-K385 IonicContact OD1-NZ 3.42Å; D380-K385 PolarHBondContact OD1-NZ 3.41Å; D380-K385 IonicContact OD2-NZ 3.53Å
381D51Low62.6Low143 Ų143111 Ų11177%0.76555%0.55SS**G310 helixtrans-87.824.3176.8-75.2-17.9000114.9D378 E379 P383D378-D381 PolarHBondContact O-N 3.38Å; E379-D381 PolarHBondContact O-N 2.91Å; D381-P383 VanDerWaalsContact O-CD 3.25Å; D381-P383 WeakPolarHBondContact O-CD 3.21Å
382N58.8Low64.2Low80 Ų80110 Ų11043%0.42854%0.542SS..  trans-72.4117.4170.4-161-27.6000109.2E379 D380 S384 K385E379-N382 PolarHBondContact O-N 3.45Å; D380-N382 VanDerWaalsContact C-N 3.33Å; D380-N382 PolarHBondContact O-N 3.14Å; N382-S384 VanDerWaalsContact CG-OG 3.29Å; N382-S384 PolarHBondContact O-N 3.03Å; N382-S384 PolarHBondContact OD1-N 2.96Å; N382-S384 PolarHBondContact OD1-OG 3.49Å; N382-K385 WeakPolarHBondContact O-CB 3.38Å; N382-K385 PolarHBondContact O-N 2.76Å
383P59.3Low65.9Low133 Ų133111.5 Ų111.586%0.86454%0.542SS*.THydrogen-bonded Turntrans-61-17.5-177.321.5-32000113D381 K385D381-P383 VanDerWaalsContact O-CD 3.25Å; D381-P383 WeakPolarHBondContact O-CD 3.21Å; P383-K385 VanDerWaalsContact C-N 3.32Å
384S66.9Low67.5Low94 Ų94108.3 Ų108.366%0.65754%0.542SS*.THydrogen-bonded Turntrans-81.4-4.3174.563.70000114.4N382 R386N382-S384 VanDerWaalsContact CG-OG 3.29Å; N382-S384 PolarHBondContact O-N 3.03Å; N382-S384 PolarHBondContact OD1-N 2.96Å; N382-S384 PolarHBondContact OD1-OG 3.49Å; S384-R386 PolarHBondContact O-N 2.96Å
385K70.9Confident69.2Low88 Ų88109.1 Ų109.138%0.38354%0.539SS..SBendtrans-63.8127.7178.7-175.6174.4171.4-178.90109.4D380 N382 P383 R387D380-K385 VanDerWaalsContact O-CD 3.3Å; D380-K385 WeakPolarHBondContact O-CD 3.34Å; D380-K385 IonicContact OD1-NZ 3.42Å; D380-K385 PolarHBondContact OD1-NZ 3.41Å; D380-K385 IonicContact OD2-NZ 3.53Å; N382-K385 WeakPolarHBondContact O-CB 3.38Å; N382-K385 PolarHBondContact O-N 2.76Å; P383-K385 VanDerWaalsContact C-N 3.32Å; K385-R387 PolarHBondContact O-N 3.46Å
386R74.3Confident71.1Confident207 Ų207104.3 Ų104.378%0.78152%0.521SS*.  trans-61111.9171.8-177176.5178176.5-1.1107.8S384 T388S384-R386 PolarHBondContact O-N 2.96Å; R386-T388 PolarHBondContact O-N 3.06Å
387R82Confident72.8Confident115 Ų115107.9 Ų107.943%0.43454%0.54SS..  trans-53.6127.9175-61.1-173.566.1-179.84.5109.6K385 D391 R392 D395K385-R387 PolarHBondContact O-N 3.46Å; R387-D391 HydrophobicContact CB-CB 4.32Å; R387-D391 PolarHBondContact NH2-O 3.28Å; R387-R392 HydrophobicContact CB-CG 4.47Å; R387-D395 IonicContact CZ-OD2 3.56Å; R387-D395 IonicContact NH1-OD2 2.76Å; R387-D395 PolarHBondContact NH1-OD2 3.38Å; R387-D395 IonicContact NH2-OD1 2.92Å; R387-D395 PolarHBondContact NH2-OD1 2.94Å; R387-D395 IonicContact NH2-OD2 3.66Å; R387-D395 PolarHBondContact NH2-OD2 3.06Å
388T85.7Confident74.5Confident67 Ų67106 Ų10641%0.41154%0.542SS..  trans-75.2162.9170.968.90000109.5R386 R390 D391 R392R386-T388 PolarHBondContact O-N 3.06Å; T388-R390 PolarHBondContact O-N 2.9Å; T388-D391 WeakPolarHBondContact CB-OD2 3.42Å; T388-D391 PolarHBondContact N-OD2 3.14Å; T388-D391 WeakPolarHBondContact O-CB 3.35Å; T388-D391 PolarHBondContact O-N 3.34Å; T388-D391 PolarHBondContact OG1-N 3.3Å; T388-D391 PolarHBondContact OG1-OD1 3.13Å; T388-D391 PolarHBondContact OG1-OD2 3.38Å; T388-R392 PolarHBondContact O-N 3Å
389M86.9Confident76.3Confident58 Ų58108.4 Ų108.429%0.28656%0.555SS.*Hα-helixtrans-61.2-32.5175-66.7-59.5-85.600111.6D391 R392 E393 F402 L404M389-D391 VanDerWaalsContact C-N 3.28Å; M389-D391 PolarHBondContact O-N 3.39Å; M389-R392 PolarHBondContact O-N 3.32Å; M389-R392 VanDerWaalsContact O-N 3.12Å; M389-E393 PolarHBondContact O-N 3.13Å; M389-F402 HydrophobicContact CE-CE1 4.47Å; M389-F402 HydrophobicContact CE-CZ 3.73Å; M389-L404 HydrophobicContact CE-CD1 3.29Å
390R87.7Confident77.9Confident201 Ų201111.5 Ų111.576%0.75857%0.57SS**Hα-helixtrans-64.7-32.4173.5-169.4177.6-179.4-177.3-1.5112.5T388 R392 P394T388-R390 PolarHBondContact O-N 2.9Å; R390-R392 VanDerWaalsContact C-N 3.32Å; R390-P394 WeakPolarHBondContact O-CD 3.38Å
391D87.5Confident79.5Confident62 Ų62108.1 Ų108.133%0.33256%0.56SS.*Hα-helixtrans-75.5-23175.1-52.1-36.8000111.9R387 T388 M389R387-D391 HydrophobicContact CB-CB 4.32Å; R387-D391 PolarHBondContact NH2-O 3.28Å; T388-D391 WeakPolarHBondContact CB-OD2 3.42Å; T388-D391 PolarHBondContact N-OD2 3.14Å; T388-D391 WeakPolarHBondContact O-CB 3.35Å; T388-D391 PolarHBondContact O-N 3.34Å; T388-D391 PolarHBondContact OG1-N 3.3Å; T388-D391 PolarHBondContact OG1-OD1 3.13Å; T388-D391 PolarHBondContact OG1-OD2 3.38Å; M389-D391 VanDerWaalsContact C-N 3.28Å; M389-D391 PolarHBondContact O-N 3.39Å
392R87.2Confident81.4Confident90 Ų90104.9 Ų104.934%0.3454%0.539SS..Hα-helixtrans-84.6-31.2177.4-69.1179.8175.5-176.7-7.9113R387 T388 M389 R390 D395 A396 F402 E408R387-R392 HydrophobicContact CB-CG 4.47Å; T388-R392 PolarHBondContact O-N 3Å; M389-R392 PolarHBondContact O-N 3.32Å; M389-R392 VanDerWaalsContact O-N 3.12Å; R390-R392 VanDerWaalsContact C-N 3.32Å; R392-D395 WeakPolarHBondContact O-CB 3.45Å; R392-D395 PolarHBondContact O-N 3.1Å; R392-D395 VanDerWaalsContact O-N 3.08Å; R392-A396 PolarHBondContact O-N 3.3Å; R392-F402 HydrophobicContact CB-CE2 4.18Å; R392-E408 IonicContact CZ-OE1 2.88Å; R392-E408 IonicContact NH1-OE1 2.63Å; R392-E408 PolarHBondContact NH1-OE1 3.45Å; R392-E408 IonicContact NH1-OE2 2.82Å; R392-E408 IonicContact NH2-OE1 3.81Å
393E88.9Confident82.8Confident111 Ų111107.6 Ų107.652%0.51955%0.552SS.*G310 helixtrans-49.8-47179.7-174.7178.1-170.500114.3M389 D395 A396 F402M389-E393 PolarHBondContact O-N 3.13Å; E393-D395 VanDerWaalsContact C-N 3.29Å; E393-D395 PolarHBondContact O-N 3.41Å; E393-A396 WeakPolarHBondContact O-CB 3.41Å; E393-A396 PolarHBondContact O-N 3.17Å; E393-F402 HydrophobicContact CB-CD1 4.23Å; E393-F402 HydrophobicContact CB-CG 4.22Å; E393-F402 HydrophobicContact CG-CB 4.09Å; E393-F402 HydrophobicContact CG-CD1 4.1Å; E393-F402 HydrophobicContact CG-CG 4.12Å
394P88.1Confident84.2Confident101 Ų101105.9 Ų105.966%0.65654%0.535SS*.G310 helixtrans-72.9-16.4179.329.5-37000114.6R390 A396R390-P394 WeakPolarHBondContact O-CD 3.38Å; P394-A396 VanDerWaalsContact C-N 3.34Å
395D86.4Confident85.3Confident107 Ų107104.6 Ų104.657%0.57252%0.521SS*.G310 helixtrans-84.5-11.5177-74.921.7000112.4R387 R392 E393R387-D395 IonicContact CZ-OD2 3.56Å; R387-D395 IonicContact NH1-OD2 2.76Å; R387-D395 PolarHBondContact NH1-OD2 3.38Å; R387-D395 IonicContact NH2-OD1 2.92Å; R387-D395 PolarHBondContact NH2-OD1 2.94Å; R387-D395 IonicContact NH2-OD2 3.66Å; R387-D395 PolarHBondContact NH2-OD2 3.06Å; R392-D395 WeakPolarHBondContact O-CB 3.45Å; R392-D395 PolarHBondContact O-N 3.1Å; R392-D395 VanDerWaalsContact O-N 3.08Å; E393-D395 VanDerWaalsContact C-N 3.29Å; E393-D395 PolarHBondContact O-N 3.41Å
396A87.3Confident86.2Confident27 Ų27106.3 Ų106.322%0.22353%0.534CS..SBendtrans-67.1145.1178.700000110.5R392 E393 P394 P398 F402R392-A396 PolarHBondContact O-N 3.3Å; E393-A396 WeakPolarHBondContact O-CB 3.41Å; E393-A396 PolarHBondContact O-N 3.17Å; P394-A396 VanDerWaalsContact C-N 3.34Å; A396-P398 VanDerWaalsContact O-CD 3.31Å; A396-P398 WeakPolarHBondContact O-CD 3.4Å; A396-P398 VanDerWaalsContact O-N 3.13Å; A396-F402 HydrophobicContact CB-CB 3.82Å; A396-F402 HydrophobicContact CB-CD2 3.93Å; A396-F402 HydrophobicContact CB-CG 4.38Å
397D84.4Confident86.9Confident109 Ų109100.2 Ų100.258%0.58351%0.511SS*.  trans-56.8120.9176.9-75.9-43.3000109.5D399 E400 G401D397-D399 PolarHBondContact O-N 2.89Å; D397-E400 PolarHBondContact O-N 3.06Å; D397-G401 PolarHBondContact O-N 2.89Å
398P84.4Confident86.9Confident122 Ų12299 Ų9979%0.79251%0.51SS*.THydrogen-bonded Turntrans-57.6-24.8-177.1-26.634.4000113.6A396A396-P398 VanDerWaalsContact O-CD 3.31Å; A396-P398 WeakPolarHBondContact O-CD 3.4Å; A396-P398 VanDerWaalsContact O-N 3.13Å
399D85.6Confident86.8Confident166 Ų166101 Ų10189%0.88851%0.514SS*.THydrogen-bonded Turntrans-78.3-37.7-178.6-65.8-28.3000112.9D397D397-D399 PolarHBondContact O-N 2.89Å
400E82.7Confident87Confident154 Ų154105.7 Ų105.772%0.7253%0.529SS*.THydrogen-bonded Turntrans-87-24.6177.8-63.4-167.6173.100112.1D397D397-E400 PolarHBondContact O-N 3.06Å
401G84.7Confident87.1Confident36 Ų36108 Ų10837%0.37154%0.538SS..  trans72.1165.4-171.600000112.2D397 I403D397-G401 PolarHBondContact O-N 2.89Å; G401-I403 PolarHBondContact O-N 2.94Å
402F89.7Confident87.2Confident75 Ų75108.6 Ų108.633%0.32954%0.54SS..  trans-80.1108.1177.2-179.3-108.2000111M389 R392 E393 A396M389-F402 HydrophobicContact CE-CE1 4.47Å; M389-F402 HydrophobicContact CE-CZ 3.73Å; R392-F402 HydrophobicContact CB-CE2 4.18Å; E393-F402 HydrophobicContact CB-CD1 4.23Å; E393-F402 HydrophobicContact CB-CG 4.22Å; E393-F402 HydrophobicContact CG-CB 4.09Å; E393-F402 HydrophobicContact CG-CD1 4.1Å; E393-F402 HydrophobicContact CG-CG 4.12Å; A396-F402 HydrophobicContact CB-CB 3.82Å; A396-F402 HydrophobicContact CB-CD2 3.93Å; A396-F402 HydrophobicContact CB-CG 4.38Å
403I88.5Confident87.4Confident137 Ų137114.2 Ų114.270%0.70357%0.567SS**  trans-94.3113.2174.6-56.9175.4000109.5G401 N405G401-I403 PolarHBondContact O-N 2.94Å; I403-N405 PolarHBondContact O-N 3.26Å; I403-N405 VanDerWaalsContact O-N 3.11Å
404L89.7Confident87.5Confident97 Ų97111.2 Ų111.251%0.50856%0.558SS.*  trans-70.6103.4173.7177.565.5000110.3M389 L406M389-L404 HydrophobicContact CE-CD1 3.29Å; L404-L406 HydrophobicContact CD2-CD2 3.93Å; L404-L406 HydrophobicContact CG-CD2 4.16Å; L404-L406 PolarHBondContact O-N 3.46Å
405N88.7Confident87.5Confident66 Ų66111.4 Ų111.435%0.35356%0.559SS.*  trans-77.4103.7173.2-171.6-4.5000110.9I403 R407 E408I403-N405 PolarHBondContact O-N 3.26Å; I403-N405 VanDerWaalsContact O-N 3.11Å; N405-R407 PolarHBondContact O-N 3.41Å; N405-R407 WeakPolarHBondContact OD1-CB 3.31Å; N405-R407 PolarHBondContact OD1-N 3.2Å; N405-E408 HydrophobicContact CB-CB 4.32Å; N405-E408 PolarHBondContact O-N 3.34Å
406L90.4Very high87.7Confident124 Ų124114.9 Ų114.965%0.64957%0.572SS**THydrogen-bonded Turntrans-62.9-21.7178.6-61.2176.8000113.3L404 W410L404-L406 HydrophobicContact CD2-CD2 3.93Å; L404-L406 HydrophobicContact CG-CD2 4.16Å; L404-L406 PolarHBondContact O-N 3.46Å; L406-W410 PolarHBondContact O-NE1 2.59Å
407R88.8Confident87.8Confident80 Ų80118.1 Ų118.130%0.30258%0.583SS.*THydrogen-bonded Turntrans-85.7-18.2-177-57.1177.8-177.2-176-6.8113.4N405 H409 W410 A418 N419 D420N405-R407 PolarHBondContact O-N 3.41Å; N405-R407 WeakPolarHBondContact OD1-CB 3.31Å; N405-R407 PolarHBondContact OD1-N 3.2Å; R407-H409 PolarHBondContact O-N 3.1Å; R407-W410 HydrophobicContact CG-CE3 4.43Å; R407-W410 HydrophobicContact CG-CH2 4.38Å; R407-W410 HydrophobicContact CG-CZ3 4.22Å; R407-W410 PolarHBondContact O-N 2.74Å; R407-A418 WeakPolarHBondContact CB-O 3.45Å; R407-A418 WeakPolarHBondContact CD-O 3.38Å; R407-N419 PolarHBondContact NH1-O 2.9Å; R407-D420 PolarHBondContact NH1-O 3.38Å
408E82.6Confident88Confident90 Ų90113.9 Ų113.942%0.42156%0.562SS.*THydrogen-bonded Turntrans-55.8-26.4-172.5-167.8-169.3152.400113.8R392 N405R392-E408 IonicContact CZ-OE1 2.88Å; R392-E408 IonicContact NH1-OE1 2.63Å; R392-E408 PolarHBondContact NH1-OE1 3.45Å; R392-E408 IonicContact NH1-OE2 2.82Å; R392-E408 IonicContact NH2-OE1 3.81Å; N405-E408 HydrophobicContact CB-CB 4.32Å; N405-E408 PolarHBondContact O-N 3.34Å
409H83.8Confident88.3Confident108 Ų108112.7 Ų112.750%0.555%0.549SS..THydrogen-bonded Turntrans-117.99.4-172.3-61.4-26.4000114.4R407R407-H409 PolarHBondContact O-N 3.1Å
410W89.8Confident88.6Confident157 Ų157109.5 Ų109.560%0.59553%0.532SS*.  trans-72.2145.9175.4-67.30.5000110.9L406 R407L406-W410 PolarHBondContact O-NE1 2.59Å; R407-W410 HydrophobicContact CG-CE3 4.43Å; R407-W410 HydrophobicContact CG-CH2 4.38Å; R407-W410 HydrophobicContact CG-CZ3 4.22Å; R407-W410 PolarHBondContact O-N 2.74Å
411R89.5Confident89Confident250 Ų250109 Ų10994%0.94353%0.533SS*.  trans-108.697.5177.9-66.6-176.7-179.7-176.8-2108.6
412I89.9Confident89.2Confident74 Ų74111.8 Ų111.838%0.37954%0.543SS..  trans-105.1159176.4-51.7-178.9000108.5C414 A418I412-C414 VanDerWaalsContact C-N 3.31Å; I412-C414 PolarHBondContact O-N 3.45Å; I412-A418 HydrophobicContact CD1-CB 4.43Å
413K91.4Very high89.3Confident207 Ų207112.2 Ų112.290%0.955%0.553SS**SBendtrans-57.5-44.1177.2-172179.5179.1-175.30111.8
414C90.6Very high89.5Confident49 Ų49112.4 Ų112.433%0.33155%0.551SS.*SBendtrans-107.3115.2173.2-61.80000108.5I412 E416 E417I412-C414 VanDerWaalsContact C-N 3.31Å; I412-C414 PolarHBondContact O-N 3.45Å; C414-E416 VanDerWaalsContact C-N 3.26Å; C414-E416 PolarHBondContact O-N 3.41Å; C414-E417 VanDerWaalsContact CB-CD 3.47Å; C414-E417 HydrophobicContact CB-CG 3.97Å; C414-E417 WeakPolarHBondContact CB-OE1 3.33Å
415P89Confident89.7Confident105 Ų105113.1 Ų113.168%0.68255%0.554SS**G310 helixtrans-71.2-21.2-177.927-33.4000113.4E417 A418P415-E417 VanDerWaalsContact C-N 3.3Å; P415-E417 PolarHBondContact O-N 2.94Å; P415-A418 VanDerWaalsContact O-CB 3.27Å; P415-A418 WeakPolarHBondContact O-CB 3.35Å; P415-A418 PolarHBondContact O-N 3Å
416E89.7Confident89.8Confident179 Ų179114.6 Ų114.684%0.83656%0.561SS**G310 helixtrans-66.6-33.1179.5-61.6-179.7179.900111.9C414 A418C414-E416 VanDerWaalsContact C-N 3.26Å; C414-E416 PolarHBondContact O-N 3.41Å; E416-A418 PolarHBondContact O-N 2.97Å
417E90Very high89.8Confident96 Ų96115.8 Ų115.845%0.44957%0.569SS.*G310 helixtrans-77.5-3.5-179.8-61.1167.2-166.400112.9C414 P415 N419 D420C414-E417 VanDerWaalsContact CB-CD 3.47Å; C414-E417 HydrophobicContact CB-CG 3.97Å; C414-E417 WeakPolarHBondContact CB-OE1 3.33Å; P415-E417 VanDerWaalsContact C-N 3.3Å; P415-E417 PolarHBondContact O-N 2.94Å; E417-N419 PolarHBondContact O-N 3.13Å; E417-N419 VanDerWaalsContact O-N 3.11Å; E417-D420 WeakPolarHBondContact CA-OD2 3.47Å; E417-D420 WeakPolarHBondContact O-CB 3.41Å; E417-D420 PolarHBondContact O-N 3.34Å
418A89.5Confident89.9Confident19 Ų19115.3 Ų115.316%0.15759%0.588CS.*G310 helixtrans-60.2-27.8-174.200000113.6R407 I412 P415 E416R407-A418 WeakPolarHBondContact CB-O 3.45Å; R407-A418 WeakPolarHBondContact CD-O 3.38Å; I412-A418 HydrophobicContact CD1-CB 4.43Å; P415-A418 VanDerWaalsContact O-CB 3.27Å; P415-A418 WeakPolarHBondContact O-CB 3.35Å; P415-A418 PolarHBondContact O-N 3Å; E416-A418 PolarHBondContact O-N 2.97Å
419N89.7Confident90.4Very high98 Ų98117.2 Ų117.252%0.52460%0.597SS.*G310 helixtrans-98.84179.1-70.7-36.7000113.8R407 E417R407-N419 PolarHBondContact NH1-O 2.9Å; E417-N419 PolarHBondContact O-N 3.13Å; E417-N419 VanDerWaalsContact O-N 3.11Å
420D91.1Very high90.8Very high98 Ų98115.7 Ų115.752%0.52459%0.592SS.*  trans-67.1152.5-178.5-70.8-12.1000112.1R407 E417R407-D420 PolarHBondContact NH1-O 3.38Å; E417-D420 WeakPolarHBondContact CA-OD2 3.47Å; E417-D420 WeakPolarHBondContact O-CB 3.41Å; E417-D420 PolarHBondContact O-N 3.34Å
421I91.3Very high90.9Very high143 Ų143109.8 Ų109.873%0.73357%0.572SS**  trans-96112.4177.7-59173.2000107.5P423I421-P423 WeakPolarHBondContact O-CD 3.38Å
422V89.8Confident91Very high96 Ų96103.8 Ų103.858%0.58256%0.558SS**  trans-73.4119173.8-177.70000108.5E424V422-E424 PolarHBondContact O-N 3.41Å
423P92.1Very high91.1Very high84 Ų84106 Ų10655%0.54557%0.571SS.*  trans-65.6129.1174.8-12.927000109.4I421 L431I421-P423 WeakPolarHBondContact O-CD 3.38Å; P423-L431 HydrophobicContact CB-CD1 3.82Å; P423-L431 HydrophobicContact CG-CD1 4.45Å; P423-L431 WeakPolarHBondContact O-CD1 3.35Å
424E91.8Very high91.1Very high141 Ų141101.2 Ų101.266%0.65955%0.554SS**  trans-90.3-36-177-65.8-177.8175.700112.1V422 N430 L431V422-E424 PolarHBondContact O-N 3.41Å; E424-N430 CarbonylContact O-C 3.51Å; E424-N430 WeakPolarHBondContact O-CA 3.29Å; E424-L431 PolarHBondContact O-N 2.92Å
425I93.7Very high91Very high112 Ų112106 Ų10657%0.57457%0.57SS**EExtended strand (participates in β ladder)trans-131.2132-170.6-58.5173.4000109.7H429I425-H429 WeakPolarHBondContact CA-O 3.3Å
426L91.4Very high91.2Very high96 Ų96103.5 Ų103.550%0.50355%0.55SS.*EExtended strand (participates in β ladder)trans-131.5120.6172.4-172.669.5000109.4G428 H429 L431L426-G428 PolarHBondContact O-N 3.48Å; L426-G428 VanDerWaalsContact O-N 3.09Å; L426-H429 PolarHBondContact N-O 2.93Å; L426-H429 PolarHBondContact O-N 3.19Å; L426-L431 HydrophobicContact CB-CD1 4.34Å; L426-L431 HydrophobicContact CB-CD2 3.63Å; L426-L431 HydrophobicContact CB-CG 3.98Å; L426-L431 HydrophobicContact CD2-CD2 3.99Å; L426-L431 HydrophobicContact CG-CD2 4.47Å
427N91.2Very high91.3Very high150 Ų150101.3 Ų101.380%0.80255%0.552SS**THydrogen-bonded Turntrans52.532.9174.4-60.8-25.7000115.7H429N427-H429 VanDerWaalsContact C-N 3.35Å
428G90.6Very high91.5Very high69 Ų69102 Ų10271%0.71156%0.555SS**THydrogen-bonded Turntrans87.5-0.118000000114.8L426L426-G428 PolarHBondContact O-N 3.48Å; L426-G428 VanDerWaalsContact O-N 3.09Å
429H92.6Very high91.7Very high130 Ų130105 Ų10560%0.60257%0.567SS**EExtended strand (participates in β ladder)trans-105.8148.2170.9-57.7-69.7000110I425 L426 N427I425-H429 WeakPolarHBondContact CA-O 3.3Å; L426-H429 PolarHBondContact N-O 2.93Å; L426-H429 PolarHBondContact O-N 3.19Å; N427-H429 VanDerWaalsContact C-N 3.35Å
430N92.6Very high91.8Very high76 Ų76107.5 Ų107.541%0.40658%0.576SS.*EExtended strand (participates in β ladder)trans-83.4135.1172.2-46.4-49.6000108.7E424 I432 D433E424-N430 CarbonylContact O-C 3.51Å; E424-N430 WeakPolarHBondContact O-CA 3.29Å; N430-I432 VanDerWaalsContact C-N 3.31Å; N430-I432 PolarHBondContact O-N 3.43Å; N430-D433 WeakPolarHBondContact CB-OD2 3.47Å; N430-D433 PolarHBondContact ND2-OD2 3.16Å; N430-D433 PolarHBondContact O-N 3.37Å
431L91.6Very high91.9Very high34 Ų34109.3 Ų109.318%0.17858%0.581CS.*G310 helixtrans-69.5-30.5178.5-70.8-174.4000112.3P423 E424 L426 D433 L434 F435P423-L431 HydrophobicContact CB-CD1 3.82Å; P423-L431 HydrophobicContact CG-CD1 4.45Å; P423-L431 WeakPolarHBondContact O-CD1 3.35Å; E424-L431 PolarHBondContact O-N 2.92Å; L426-L431 HydrophobicContact CB-CD1 4.34Å; L426-L431 HydrophobicContact CB-CD2 3.63Å; L426-L431 HydrophobicContact CB-CG 3.98Å; L426-L431 HydrophobicContact CD2-CD2 3.99Å; L426-L431 HydrophobicContact CG-CD2 4.47Å; L431-D433 PolarHBondContact O-N 2.97Å; L431-D433 VanDerWaalsContact O-N 3.14Å; L431-L434 HydrophobicContact CD2-CD1 4.25Å; L431-L434 WeakPolarHBondContact O-CA 3.41Å; L431-L434 WeakPolarHBondContact O-CB 3.35Å; L431-L434 PolarHBondContact O-N 2.79Å; L431-F435 HydrophobicContact CB-CE2 4.1Å; L431-F435 WeakPolarHBondContact O-CD2 3.46Å; L431-F435 PolarHBondContact O-N 2.93Å
432I92.3Very high92Very high124 Ų124107.8 Ų107.864%0.63657%0.569SS**G310 helixtrans-53.4-34.3175.7-66.1173.9000111.7N430 L434 F435N430-I432 VanDerWaalsContact C-N 3.31Å; N430-I432 PolarHBondContact O-N 3.43Å; I432-L434 PolarHBondContact O-N 2.95Å; I432-F435 PolarHBondContact O-N 3.43Å
433D91.8Very high92.2Very high121 Ų121107.4 Ų107.465%0.64756%0.564SS**G310 helixtrans-71.3-14.5-179.7-58.7-29000112.6N430 L431N430-D433 WeakPolarHBondContact CB-OD2 3.47Å; N430-D433 PolarHBondContact ND2-OD2 3.16Å; N430-D433 PolarHBondContact O-N 3.37Å; L431-D433 PolarHBondContact O-N 2.97Å; L431-D433 VanDerWaalsContact O-N 3.14Å
434L90.4Very high92.3Very high106 Ų106107.6 Ų107.656%0.55556%0.56SS**G310 helixtrans-108.2-5.4-178.4-61171.3000113.6L431 I432 D436L431-L434 HydrophobicContact CD2-CD1 4.25Å; L431-L434 WeakPolarHBondContact O-CA 3.41Å; L431-L434 WeakPolarHBondContact O-CB 3.35Å; L431-L434 PolarHBondContact O-N 2.79Å; I432-L434 PolarHBondContact O-N 2.95Å; L434-D436 PolarHBondContact O-N 3.35Å
435F89.3Confident92.4Very high150 Ų150103.5 Ų103.566%0.65855%0.55SS**  trans-72.9109.7179.4-86.3-89.8000111L431 I432L431-F435 HydrophobicContact CB-CE2 4.1Å; L431-F435 WeakPolarHBondContact O-CD2 3.46Å; L431-F435 PolarHBondContact O-N 2.93Å; I432-F435 PolarHBondContact O-N 3.43Å
436D92.3Very high92.5Very high51 Ų51102.4 Ų102.427%0.27355%0.545SS..  trans-140.7130.4177.4-168.6-34.2000109L434 E438 I439 K442L434-D436 PolarHBondContact O-N 3.35Å; D436-E438 PolarHBondContact O-N 3.47Å; D436-E438 VanDerWaalsContact O-N 3.15Å; D436-E438 PolarHBondContact OD1-N 2.99Å; D436-I439 HydrophobicContact CB-CB 4.19Å; D436-I439 HydrophobicContact CB-CD1 4.35Å; D436-I439 WeakPolarHBondContact O-CB 3.37Å; D436-I439 PolarHBondContact O-N 3.01Å; D436-K442 IonicContact OD2-NZ 2.88Å; D436-K442 PolarHBondContact OD2-NZ 3.03Å
437P92.9Very high92.5Very high134 Ų134102.8 Ų102.887%0.8754%0.544SS*.THydrogen-bonded Turntrans-58.2-23.4177.124.8-36.1000113.8
438E93.5Very high92.6Very high110 Ų110102.4 Ų102.451%0.51454%0.538SS..THydrogen-bonded Turntrans-107.220.9-177.6-62.8170.9-175.800112.2D436 E440 E441 K442D436-E438 PolarHBondContact O-N 3.47Å; D436-E438 VanDerWaalsContact O-N 3.15Å; D436-E438 PolarHBondContact OD1-N 2.99Å; E438-E440 VanDerWaalsContact C-N 3.3Å; E438-E440 PolarHBondContact O-N 2.91Å; E438-E441 PolarHBondContact O-N 3.15Å; E438-K442 PolarHBondContact O-N 3.39Å
439I93.3Very high92.7Very high81 Ų81105 Ų10542%0.41553%0.532SS..Hα-helixtrans-59.9-36-174-164.964.7000113.5D436 K442 L443D436-I439 HydrophobicContact CB-CB 4.19Å; D436-I439 HydrophobicContact CB-CD1 4.35Å; D436-I439 WeakPolarHBondContact O-CB 3.37Å; D436-I439 PolarHBondContact O-N 3.01Å; I439-K442 PolarHBondContact O-N 2.76Å; I439-L443 WeakPolarHBondContact O-CB 3.44Å; I439-L443 PolarHBondContact O-N 3.1Å
440E92.7Very high92.6Very high152 Ų152102.5 Ų102.571%0.7152%0.52SS*.Hα-helixtrans-67-37.6179.7-67.2-176.3172.800111.9E438 L443 N444E438-E440 VanDerWaalsContact C-N 3.3Å; E438-E440 PolarHBondContact O-N 2.91Å; E440-L443 PolarHBondContact O-N 3.14Å; E440-N444 WeakPolarHBondContact O-CB 3.29Å; E440-N444 PolarHBondContact O-N 3.03Å; E440-N444 PolarHBondContact O-ND2 3.21Å
441E93.1Very high92.5Very high135 Ų135102.3 Ų102.363%0.63152%0.522SS*.Hα-helixtrans-67-42.2176.5-63.6-174.8177.100111.1E438 L443 N444 A445E438-E441 PolarHBondContact O-N 3.15Å; E441-L443 VanDerWaalsContact C-N 3.31Å; E441-L443 PolarHBondContact O-N 3.46Å; E441-N444 PolarHBondContact O-N 3.4Å; E441-A445 WeakPolarHBondContact O-CB 3.26Å; E441-A445 PolarHBondContact O-N 3.31Å
442K93.1Very high92.5Very high112 Ų112103.6 Ų103.649%0.48754%0.537SS..Hα-helixtrans-64.1-38.1174.9-68.4180-178.1176.30111.9D436 E438 I439 L446D436-K442 IonicContact OD2-NZ 2.88Å; D436-K442 PolarHBondContact OD2-NZ 3.03Å; E438-K442 PolarHBondContact O-N 3.39Å; I439-K442 PolarHBondContact O-N 2.76Å; K442-L446 WeakPolarHBondContact O-CB 3.35Å; K442-L446 PolarHBondContact O-N 3.47Å
443L94.3Very high92.4Very high88 Ų88100.2 Ų100.246%0.46152%0.52SS..Hα-helixtrans-65.4-47.9175.5-177.164.7000110.8I439 E440 E441 A445 L446 E447I439-L443 WeakPolarHBondContact O-CB 3.44Å; I439-L443 PolarHBondContact O-N 3.1Å; E440-L443 PolarHBondContact O-N 3.14Å; E441-L443 VanDerWaalsContact C-N 3.31Å; E441-L443 PolarHBondContact O-N 3.46Å; L443-A445 VanDerWaalsContact C-N 3.33Å; L443-A445 PolarHBondContact O-N 3.23Å; L443-L446 CarbonylContact O-C 3.59Å; L443-L446 WeakPolarHBondContact O-CB 3.41Å; L443-L446 PolarHBondContact O-N 3.42Å; L443-L446 VanDerWaalsContact O-N 3.09Å; L443-E447 WeakPolarHBondContact O-CG 3.37Å; L443-E447 PolarHBondContact O-N 3.46Å
444N94.4Very high92.1Very high87 Ų87100.9 Ų100.947%0.46552%0.519SS..Hα-helixtrans-59.5-43.4177.2-70.1-19000111.7E440 E441 L446 E447 E448E440-N444 WeakPolarHBondContact O-CB 3.29Å; E440-N444 PolarHBondContact O-N 3.03Å; E440-N444 PolarHBondContact O-ND2 3.21Å; E441-N444 PolarHBondContact O-N 3.4Å; N444-L446 VanDerWaalsContact C-N 3.3Å; N444-L446 PolarHBondContact O-N 2.94Å; N444-E447 PolarHBondContact O-N 2.98Å; N444-E448 WeakPolarHBondContact O-CG 3.45Å; N444-E448 PolarHBondContact O-N 3.5Å
445A94.3Very high92Very high55 Ų55102.8 Ų102.846%0.45553%0.53SS..Hα-helixtrans-63-36.3175.500000112.5E441 L443 Q449E441-A445 WeakPolarHBondContact O-CB 3.26Å; E441-A445 PolarHBondContact O-N 3.31Å; L443-A445 VanDerWaalsContact C-N 3.33Å; L443-A445 PolarHBondContact O-N 3.23Å; A445-Q449 WeakPolarHBondContact O-CB 3.44Å; A445-Q449 PolarHBondContact O-N 3.26Å
446L94Very high91.9Very high90 Ų9099.5 Ų99.547%0.47153%0.531SS..Hα-helixtrans-68.9-41.1175-173.3147.1000111.3K442 L443 N444 Q449 E450K442-L446 WeakPolarHBondContact O-CB 3.35Å; K442-L446 PolarHBondContact O-N 3.47Å; L443-L446 CarbonylContact O-C 3.59Å; L443-L446 WeakPolarHBondContact O-CB 3.41Å; L443-L446 PolarHBondContact O-N 3.42Å; L443-L446 VanDerWaalsContact O-N 3.09Å; N444-L446 VanDerWaalsContact C-N 3.3Å; N444-L446 PolarHBondContact O-N 2.94Å; L446-Q449 WeakPolarHBondContact O-CB 3.34Å; L446-Q449 PolarHBondContact O-N 3.4Å; L446-E450 HydrophobicContact CD2-CG 3.97Å; L446-E450 WeakPolarHBondContact O-CG 3.34Å; L446-E450 PolarHBondContact O-N 3.44Å
447E93.3Very high91.3Very high103 Ų10398.3 Ų98.348%0.48153%0.53SS..Hα-helixtrans-65.4-40.6175.1-71-177.9176.300111.9L443 N444 Q449 E450 T451L443-E447 WeakPolarHBondContact O-CG 3.37Å; L443-E447 PolarHBondContact O-N 3.46Å; N444-E447 PolarHBondContact O-N 2.98Å; E447-Q449 VanDerWaalsContact C-N 3.3Å; E447-Q449 PolarHBondContact O-N 3.43Å; E447-E450 PolarHBondContact O-N 3.23Å; E447-T451 WeakPolarHBondContact O-CB 3.32Å; E447-T451 VanDerWaalsContact O-CG2 3.27Å; E447-T451 WeakPolarHBondContact O-CG2 3.4Å; E447-T451 PolarHBondContact O-N 2.9Å; E447-T451 PolarHBondContact O-OG1 3.47Å
448E93Very high90.7Very high142 Ų14298.9 Ų98.966%0.66452%0.519SS*.Hα-helixtrans-60.9-39.5171.2-75.5-178.9-176.500111.8N444 T451 A452N444-E448 WeakPolarHBondContact O-CG 3.45Å; N444-E448 PolarHBondContact O-N 3.5Å; E448-T451 WeakPolarHBondContact CA-OG1 3.32Å; E448-T451 PolarHBondContact O-OG1 3.15Å; E448-A452 WeakPolarHBondContact O-CB 3.36Å; E448-A452 PolarHBondContact O-N 2.91Å; E448-A452 VanDerWaalsContact O-N 3.08Å
449Q92.6Very high90Very high125 Ų12599.3 Ų99.358%0.58452%0.517SS*.Hα-helixtrans-67.5-44.8175.2-175.2-178.9-11.700112A445 L446 E447 A452 L453A445-Q449 WeakPolarHBondContact O-CB 3.44Å; A445-Q449 PolarHBondContact O-N 3.26Å; L446-Q449 WeakPolarHBondContact O-CB 3.34Å; L446-Q449 PolarHBondContact O-N 3.4Å; E447-Q449 VanDerWaalsContact C-N 3.3Å; E447-Q449 PolarHBondContact O-N 3.43Å; Q449-A452 WeakPolarHBondContact O-CB 3.4Å; Q449-A452 PolarHBondContact O-N 3.03Å; Q449-L453 HydrophobicContact CG-CD1 4.44Å; Q449-L453 WeakPolarHBondContact O-CG 3.47Å; Q449-L453 PolarHBondContact O-N 2.84Å
450E90.1Very high89.1Confident77 Ų77100.9 Ų100.936%0.3653%0.526SS..Hα-helixtrans-63.9-44178.4-75.9-68168.900111.4L446 E447 A452 L453 E454 Y459L446-E450 HydrophobicContact CD2-CG 3.97Å; L446-E450 WeakPolarHBondContact O-CG 3.34Å; L446-E450 PolarHBondContact O-N 3.44Å; E447-E450 PolarHBondContact O-N 3.23Å; E450-A452 VanDerWaalsContact C-N 3.29Å; E450-A452 PolarHBondContact O-N 2.98Å; E450-L453 WeakPolarHBondContact O-CB 3.4Å; E450-L453 PolarHBondContact O-N 3.43Å; E450-L453 VanDerWaalsContact O-N 3.1Å; E450-E454 WeakPolarHBondContact O-CB 3.4Å; E450-E454 PolarHBondContact O-N 3.01Å; E450-Y459 WeakPolarHBondContact OE2-CE2 3.47Å; E450-Y459 PolarHBondContact OE2-OH 3.2Å
451T90.7Very high87.8Confident72 Ų72101.8 Ų101.844%0.44253%0.53SS..Hα-helixtrans-62.5-36175.353.30000111.9E447 E448 N455E447-T451 WeakPolarHBondContact O-CB 3.32Å; E447-T451 VanDerWaalsContact O-CG2 3.27Å; E447-T451 WeakPolarHBondContact O-CG2 3.4Å; E447-T451 PolarHBondContact O-N 2.9Å; E447-T451 PolarHBondContact O-OG1 3.47Å; E448-T451 WeakPolarHBondContact CA-OG1 3.32Å; E448-T451 PolarHBondContact O-OG1 3.15Å; T451-N455 WeakPolarHBondContact O-CB 3.47Å; T451-N455 PolarHBondContact O-N 3.14Å; T451-N455 PolarHBondContact O-ND2 3.41Å
452A91.3Very high86.2Confident60 Ų6098.6 Ų98.650%0.49652%0.523SS..Hα-helixtrans-66.2-38.3172.300000112.8E448 Q449 E450 A456E448-A452 WeakPolarHBondContact O-CB 3.36Å; E448-A452 PolarHBondContact O-N 2.91Å; E448-A452 VanDerWaalsContact O-N 3.08Å; Q449-A452 WeakPolarHBondContact O-CB 3.4Å; Q449-A452 PolarHBondContact O-N 3.03Å; E450-A452 VanDerWaalsContact C-N 3.29Å; E450-A452 PolarHBondContact O-N 2.98Å; A452-A456 WeakPolarHBondContact O-CB 3.31Å; A452-A456 PolarHBondContact O-N 3.32Å; A452-A456 VanDerWaalsContact O-N 3.16Å
453L89.5Confident84.4Confident54 Ų54100.9 Ų100.928%0.28354%0.535SS..Hα-helixtrans-69.5-41.6176.8-72173000112.6Q449 E450 A456 G457 F458 Y459Q449-L453 HydrophobicContact CG-CD1 4.44Å; Q449-L453 WeakPolarHBondContact O-CG 3.47Å; Q449-L453 PolarHBondContact O-N 2.84Å; E450-L453 WeakPolarHBondContact O-CB 3.4Å; E450-L453 PolarHBondContact O-N 3.43Å; E450-L453 VanDerWaalsContact O-N 3.1Å; L453-A456 WeakPolarHBondContact O-CB 3.46Å; L453-A456 PolarHBondContact O-N 3.43Å; L453-G457 PolarHBondContact O-N 3.01Å; L453-F458 HydrophobicContact CB-CB 4.41Å; L453-F458 WeakPolarHBondContact O-CB 3.37Å; L453-F458 PolarHBondContact O-N 3.14Å; L453-Y459 HydrophobicContact CB-CE2 4.32Å
454E86.7Confident82.5Confident135 Ų135103.6 Ų103.663%0.63155%0.55SS*.Hα-helixtrans-64.9-45.2177.2-168.8174.6-163.700110.8E450 A456 G457 Y459E450-E454 WeakPolarHBondContact O-CB 3.4Å; E450-E454 PolarHBondContact O-N 3.01Å; E454-A456 PolarHBondContact O-N 3.41Å; E454-G457 PolarHBondContact O-N 3.45Å; E454-Y459 HydrophobicContact CB-CD2 4.49Å
455N87.5Confident80.5Confident146 Ų146105.2 Ų105.278%0.78156%0.558SS**Hα-helixtrans-62.1-27.4174-74.9-36000113.3T451 G457T451-N455 WeakPolarHBondContact O-CB 3.47Å; T451-N455 PolarHBondContact O-N 3.14Å; T451-N455 PolarHBondContact O-ND2 3.41Å; N455-G457 PolarHBondContact O-N 3.29Å
456A87.5Confident78.6Confident81 Ų81110.8 Ų110.867%0.66957%0.572SS**THydrogen-bonded Turntrans-78.5-5.3174.600000113.5A452 L453 E454A452-A456 WeakPolarHBondContact O-CB 3.31Å; A452-A456 PolarHBondContact O-N 3.32Å; A452-A456 VanDerWaalsContact O-N 3.16Å; L453-A456 WeakPolarHBondContact O-CB 3.46Å; L453-A456 PolarHBondContact O-N 3.43Å; E454-A456 PolarHBondContact O-N 3.41Å
457G80.4Confident76.7Confident25 Ų25115 Ų11526%0.25859%0.586SS.*THydrogen-bonded Turntrans74.921.9-178.700000113.8L453 E454 N455 Y459 D460L453-G457 PolarHBondContact O-N 3.01Å; E454-G457 PolarHBondContact O-N 3.45Å; N455-G457 PolarHBondContact O-N 3.29Å; G457-Y459 PolarHBondContact O-N 2.84Å; G457-D460 PolarHBondContact O-N 3.47Å
458F79.4Confident74.9Confident147 Ų147114.9 Ų114.965%0.64559%0.585SS**THydrogen-bonded Turntrans-60-32.1-178-174.9-98.2000112.8L453L453-F458 HydrophobicContact CB-CB 4.41Å; L453-F458 WeakPolarHBondContact O-CB 3.37Å; L453-F458 PolarHBondContact O-N 3.14Å
459Y78.8Confident73.3Confident118 Ų118114 Ų11446%0.46359%0.585SS.*THydrogen-bonded Turntrans-95.52.6-178.8-57.6-65.6000114.3E450 L453 E454 G457 E461E450-Y459 WeakPolarHBondContact OE2-CE2 3.47Å; E450-Y459 PolarHBondContact OE2-OH 3.2Å; L453-Y459 HydrophobicContact CB-CE2 4.32Å; E454-Y459 HydrophobicContact CB-CD2 4.49Å; G457-Y459 PolarHBondContact O-N 2.84Å; Y459-E461 PolarHBondContact O-N 3.2Å
460D74.5Confident72.2Confident114 Ų114112.6 Ų112.661%0.6158%0.582SS**  trans-74.398.5179.5-74.7-22.1000111G457 S462G457-D460 PolarHBondContact O-N 3.47Å; D460-S462 PolarHBondContact O-N 3.35Å
461E65.6Low71.5Confident172 Ų172113.3 Ų113.380%0.80459%0.593SS**G310 helixtrans-65.24.8178.8-66.1-171.715100114.9Y459 E463Y459-E461 PolarHBondContact O-N 3.2Å; E461-E463 VanDerWaalsContact C-N 3.31Å; E461-E463 PolarHBondContact O-N 3.5Å
462S59.6Low70.9Confident67 Ų67116.6 Ų116.647%0.46960%0.603SS.*G310 helixtrans-71.6-14.8-165.869.20000115.4D460D460-S462 PolarHBondContact O-N 3.35Å
463E54.6Low70.1Confident160 Ų160117.8 Ų117.875%0.74860%0.6SS**G310 helixtrans-74.9-25.2-177.7-74.1-147.4143.800114.6E461 L465E461-E463 VanDerWaalsContact C-N 3.31Å; E461-E463 PolarHBondContact O-N 3.5Å; E463-L465 VanDerWaalsContact C-N 3.34Å; E463-L465 PolarHBondContact O-N 2.83Å
464L54Low69.5Low146 Ų146120.1 Ų120.176%0.76461%0.608SS**G310 helixtrans-72.7-25.3-176.2-81.3161.4000113.4
465L54.1Low69.4Low121 Ų121120.7 Ų120.763%0.63461%0.608SS**G310 helixtrans-77-21.4-176.1-78142.1000114E463 K467E463-L465 VanDerWaalsContact C-N 3.34Å; E463-L465 PolarHBondContact O-N 2.83Å; L465-K467 PolarHBondContact O-N 2.73Å
466K54.4Low69.2Low172 Ų172118.2 Ų118.275%0.74859%0.594SS**G310 helixtrans-76.1-18.9-174.9-70.1177.7-176.6167.70114
467K53.7Low68.8Low178 Ų178119.1 Ų119.177%0.77458%0.582SS**G310 helixtrans-98.4-9.2-177.2-69178.7-179.3169.60114.7L465L465-K467 PolarHBondContact O-N 2.73Å
468E54.2Low69Low101 Ų101123.6 Ų123.647%0.47260%0.597SS.*THydrogen-bonded Turntrans-87.5-9.6-175.2-70.2-156.1132.200115.3K477E468-K477 IonicContact OE1-NZ 2.61Å; E468-K477 PolarHBondContact OE1-NZ 3.44Å
469N60Low69.4Low122 Ų122120.1 Ų120.165%0.65259%0.588SS**THydrogen-bonded Turntrans-88.31.1-175-82.6-30.1000115.3P471N469-P471 WeakPolarHBondContact O-CD 3.46Å
470D69.9Low69.7Low97 Ų97116 Ų11652%0.51958%0.578SS.*  trans-69.5120177.3-129-22.9000110.7E472 M473 K474D470-E472 PolarHBondContact O-N 3.21Å; D470-E472 VanDerWaalsContact O-N 3.14Å; D470-M473 HydrophobicContact CB-CB 4.04Å; D470-M473 HydrophobicContact CB-CG 4.31Å; D470-M473 PolarHBondContact O-N 3.04Å; D470-M473 VanDerWaalsContact O-N 3.08Å; D470-K474 PolarHBondContact O-N 3.21Å; D470-K474 VanDerWaalsContact O-N 3.14Å
471P75.7Confident70.3Confident92 Ų92112.7 Ų112.760%0.59757%0.567SS**Hα-helixtrans-61-25.1-177.623.3-33.4000112.8N469 K475N469-P471 WeakPolarHBondContact O-CD 3.46Å; P471-K475 PolarHBondContact O-N 3.12Å
472E78.1Confident71.4Confident140 Ų140111.3 Ų111.365%0.65456%0.558SS**Hα-helixtrans-72.1-43.7174.9-158.4172.8-162.800111.7D470 K474 K475 I476D470-E472 PolarHBondContact O-N 3.21Å; D470-E472 VanDerWaalsContact O-N 3.14Å; E472-K474 VanDerWaalsContact C-N 3.32Å; E472-K474 PolarHBondContact O-N 2.69Å; E472-K475 PolarHBondContact O-N 2.94Å; E472-I476 HydrophobicContact CG-CD1 4.43Å; E472-I476 WeakPolarHBondContact O-CG1 3.27Å; E472-I476 PolarHBondContact O-N 2.73Å
473M75Confident72.7Confident85 Ų85113.5 Ų113.542%0.41956%0.563SS.*Hα-helixtrans-63-35.4175.2-88.6-69.1-79.500112.6D470 I476 K477D470-M473 HydrophobicContact CB-CB 4.04Å; D470-M473 HydrophobicContact CB-CG 4.31Å; D470-M473 PolarHBondContact O-N 3.04Å; D470-M473 VanDerWaalsContact O-N 3.08Å; M473-I476 PolarHBondContact O-N 3.4Å; M473-K477 WeakPolarHBondContact O-CB 3.47Å; M473-K477 WeakPolarHBondContact O-CG 3.14Å; M473-K477 PolarHBondContact O-N 3.12Å
474K77Confident74.2Confident104 Ų104115 Ų11545%0.45256%0.562SS.*Hα-helixtrans-63.1-45.3173.1-75.9-178.8179.6170.70112D470 E472 I476 K477 E478D470-K474 PolarHBondContact O-N 3.21Å; D470-K474 VanDerWaalsContact O-N 3.14Å; E472-K474 VanDerWaalsContact C-N 3.32Å; E472-K474 PolarHBondContact O-N 2.69Å; K474-I476 VanDerWaalsContact C-N 3.34Å; K474-I476 PolarHBondContact O-N 3.42Å; K474-K477 PolarHBondContact O-N 3.32Å; K474-E478 WeakPolarHBondContact O-CG 3.35Å; K474-E478 PolarHBondContact O-N 3.26Å
475K83.7Confident75.8Confident147 Ų147114.3 Ų114.364%0.63956%0.555SS**Hα-helixtrans-62.4-39.6175-73.3178.2-180176.50112.3P471 E472 E478 T479P471-K475 PolarHBondContact O-N 3.12Å; E472-K475 PolarHBondContact O-N 2.94Å; K475-E478 PolarHBondContact O-N 3.36Å; K475-T479 WeakPolarHBondContact O-CB 3.46Å; K475-T479 VanDerWaalsContact O-CG2 3.3Å; K475-T479 WeakPolarHBondContact O-CG2 3.5Å; K475-T479 PolarHBondContact O-N 3.43Å; K475-T479 PolarHBondContact O-OG1 3.01Å
476I82.6Confident77.3Confident93 Ų93110.3 Ų110.348%0.47754%0.54SS..Hα-helixtrans-64.7-43.6176-66.3166.3000110.5E472 M473 K474 T479 A480E472-I476 HydrophobicContact CG-CD1 4.43Å; E472-I476 WeakPolarHBondContact O-CG1 3.27Å; E472-I476 PolarHBondContact O-N 2.73Å; M473-I476 PolarHBondContact O-N 3.4Å; K474-I476 VanDerWaalsContact C-N 3.34Å; K474-I476 PolarHBondContact O-N 3.42Å; I476-T479 WeakPolarHBondContact CA-OG1 3.27Å; I476-T479 PolarHBondContact O-N 3.38Å; I476-T479 PolarHBondContact O-OG1 3.35Å; I476-A480 WeakPolarHBondContact O-CB 3.39Å; I476-A480 PolarHBondContact O-N 2.94Å
477K80.1Confident78.9Confident100 Ų100110.6 Ų110.644%0.43554%0.536SS..Hα-helixtrans-61.9-45.1175.9-79.1-176.6177.1-178.40112.2E468 M473 K474 A480 A481E468-K477 IonicContact OE1-NZ 2.61Å; E468-K477 PolarHBondContact OE1-NZ 3.44Å; M473-K477 WeakPolarHBondContact O-CB 3.47Å; M473-K477 WeakPolarHBondContact O-CG 3.14Å; M473-K477 PolarHBondContact O-N 3.12Å; K474-K477 PolarHBondContact O-N 3.32Å; K477-A480 PolarHBondContact O-N 3.34Å; K477-A481 WeakPolarHBondContact O-CB 3.39Å; K477-A481 PolarHBondContact O-N 2.9Å
478E85Confident80.5Confident119 Ų119104.5 Ų104.556%0.55652%0.519SS*.Hα-helixtrans-64.2-43.5178.6-74.2178.2-174.500112.7K474 K475 A481 K482K474-E478 WeakPolarHBondContact O-CG 3.35Å; K474-E478 PolarHBondContact O-N 3.26Å; K475-E478 PolarHBondContact O-N 3.36Å; E478-A481 PolarHBondContact O-N 3.46Å; E478-K482 WeakPolarHBondContact O-CG 3.26Å; E478-K482 PolarHBondContact O-N 3.14Å; E478-K482 VanDerWaalsContact O-N 3.14Å
479T86.6Confident82.1Confident75 Ų75105.4 Ų105.446%0.4653%0.526SS..Hα-helixtrans-67.5-41.7176.852.50000111.4K475 I476 A481 K482 I483K475-T479 WeakPolarHBondContact O-CB 3.46Å; K475-T479 VanDerWaalsContact O-CG2 3.3Å; K475-T479 WeakPolarHBondContact O-CG2 3.5Å; K475-T479 PolarHBondContact O-N 3.43Å; K475-T479 PolarHBondContact O-OG1 3.01Å; I476-T479 WeakPolarHBondContact CA-OG1 3.27Å; I476-T479 PolarHBondContact O-N 3.38Å; I476-T479 PolarHBondContact O-OG1 3.35Å; T479-A481 VanDerWaalsContact C-N 3.33Å; T479-A481 PolarHBondContact O-N 3.18Å; T479-K482 PolarHBondContact O-N 2.87Å; T479-I483 VanDerWaalsContact O-CG1 3.31Å; T479-I483 WeakPolarHBondContact O-CG1 3.45Å; T479-I483 PolarHBondContact O-N 3.5Å
480A86.4Confident83.3Confident31 Ų31107.7 Ų107.726%0.25653%0.526SS..Hα-helixtrans-62.5-37.7174.500000112.5I476 K477 I483 R484I476-A480 WeakPolarHBondContact O-CB 3.39Å; I476-A480 PolarHBondContact O-N 2.94Å; K477-A480 PolarHBondContact O-N 3.34Å; A480-I483 PolarHBondContact O-N 3.24Å; A480-R484 WeakPolarHBondContact O-CG 3.48Å; A480-R484 PolarHBondContact O-N 2.88Å
481A87.3Confident84Confident45 Ų45106.2 Ų106.237%0.37252%0.52SS..Hα-helixtrans-61.9-48.717500000111.4K477 E478 T479 I483 R484 E485K477-A481 WeakPolarHBondContact O-CB 3.39Å; K477-A481 PolarHBondContact O-N 2.9Å; E478-A481 PolarHBondContact O-N 3.46Å; T479-A481 VanDerWaalsContact C-N 3.33Å; T479-A481 PolarHBondContact O-N 3.18Å; A481-I483 VanDerWaalsContact C-N 3.3Å; A481-I483 PolarHBondContact O-N 3.34Å; A481-R484 PolarHBondContact O-N 2.81Å; A481-R484 VanDerWaalsContact O-N 3.14Å; A481-E485 PolarHBondContact O-N 3.16Å
482K88.3Confident84.5Confident142 Ų142107 Ų10762%0.61752%0.519SS*.Hα-helixtrans-58.4-40.1175.5-69.6174.9-176.4174.80112.3E478 T479 A486E478-K482 WeakPolarHBondContact O-CG 3.26Å; E478-K482 PolarHBondContact O-N 3.14Å; E478-K482 VanDerWaalsContact O-N 3.14Å; T479-K482 PolarHBondContact O-N 2.87Å; K482-A486 WeakPolarHBondContact O-CB 3.25Å; K482-A486 PolarHBondContact O-N 2.99Å
483I86.9Confident84.9Confident114 Ų114104.8 Ų104.859%0.58551%0.509SS*.Hα-helixtrans-65.4-43.5176.6-68.3166.1000111.2T479 A480 A481 R487T479-I483 VanDerWaalsContact O-CG1 3.31Å; T479-I483 WeakPolarHBondContact O-CG1 3.45Å; T479-I483 PolarHBondContact O-N 3.5Å; A480-I483 PolarHBondContact O-N 3.24Å; A481-I483 VanDerWaalsContact C-N 3.3Å; A481-I483 PolarHBondContact O-N 3.34Å; I483-R487 WeakPolarHBondContact O-CB 3.21Å; I483-R487 PolarHBondContact O-N 3.1Å
484R85.7Confident85.4Confident190 Ų190103.2 Ų103.272%0.71751%0.506SS*.Hα-helixtrans-65.2-43.9179-74.5175.6-173.4174.42.7111.6A480 A481 R487 A488A480-R484 WeakPolarHBondContact O-CG 3.48Å; A480-R484 PolarHBondContact O-N 2.88Å; A481-R484 PolarHBondContact O-N 2.81Å; A481-R484 VanDerWaalsContact O-N 3.14Å; R484-R487 PolarHBondContact O-N 3.38Å; R484-A488 WeakPolarHBondContact O-CB 3.39Å; R484-A488 PolarHBondContact O-N 3.44Å
485E86.9Confident85.7Confident132 Ų132106.4 Ų106.462%0.61752%0.515SS*.Hα-helixtrans-61-48.7175.5-74.6-178.1170.400111.7A481 R487 A488 L489A481-E485 PolarHBondContact O-N 3.16Å; E485-R487 VanDerWaalsContact C-N 3.27Å; E485-R487 PolarHBondContact O-N 2.93Å; E485-A488 PolarHBondContact O-N 2.89Å; E485-A488 VanDerWaalsContact O-N 3.16Å; E485-L489 WeakPolarHBondContact O-CG 3.43Å; E485-L489 PolarHBondContact O-N 3.13Å
486A86.7Confident85.6Confident38 Ų38102.7 Ų102.731%0.31451%0.511SS..Hα-helixtrans-60.3-37.3176.400000112.2K482 R490K482-A486 WeakPolarHBondContact O-CB 3.25Å; K482-A486 PolarHBondContact O-N 2.99Å; A486-R490 WeakPolarHBondContact O-CG 3.36Å; A486-R490 PolarHBondContact O-N 3.06Å; A486-R490 VanDerWaalsContact O-N 3.16Å
487R88.1Confident85.4Confident177 Ų177104.6 Ų104.667%0.66851%0.513SS*.Hα-helixtrans-68.7-42175.3-168177.2-176.7-1780.8111.7I483 R484 E485 R490 V491I483-R487 WeakPolarHBondContact O-CB 3.21Å; I483-R487 PolarHBondContact O-N 3.1Å; R484-R487 PolarHBondContact O-N 3.38Å; E485-R487 VanDerWaalsContact C-N 3.27Å; E485-R487 PolarHBondContact O-N 2.93Å; R487-R490 PolarHBondContact O-N 3.17Å; R487-V491 WeakPolarHBondContact O-CG2 3.35Å; R487-V491 PolarHBondContact O-N 3.44Å
488A85.8Confident85.3Confident51 Ų51107.6 Ų107.642%0.42153%0.526SS..Hα-helixtrans-63.1-44.3177.300000111.8R484 E485 R490 V491 L492R484-A488 WeakPolarHBondContact O-CB 3.39Å; R484-A488 PolarHBondContact O-N 3.44Å; E485-A488 PolarHBondContact O-N 2.89Å; E485-A488 VanDerWaalsContact O-N 3.16Å; A488-R490 PolarHBondContact O-N 3.28Å; A488-V491 PolarHBondContact O-N 2.65Å; A488-L492 WeakPolarHBondContact O-CG 3.31Å; A488-L492 PolarHBondContact O-N 3.36Å
489L87.8Confident84.7Confident120 Ų120110.1 Ų110.163%0.62854%0.538SS*.Hα-helixtrans-59.6-43.8175-72.5174.2000112E485 V491 L492 E493E485-L489 WeakPolarHBondContact O-CG 3.43Å; E485-L489 PolarHBondContact O-N 3.13Å; L489-V491 VanDerWaalsContact C-N 3.34Å; L489-V491 PolarHBondContact O-N 3.48Å; L489-L492 PolarHBondContact O-N 3.3Å; L489-E493 WeakPolarHBondContact O-CB 3.29Å; L489-E493 PolarHBondContact O-N 3.5Å
490R85.2Confident83.7Confident170 Ų170110.6 Ų110.664%0.64254%0.54SS*.Hα-helixtrans-62.6-38174.9-77.8-171.7-120.9141.1-3.1113.1A486 R487 A488 S494A486-R490 WeakPolarHBondContact O-CG 3.36Å; A486-R490 PolarHBondContact O-N 3.06Å; A486-R490 VanDerWaalsContact O-N 3.16Å; R487-R490 PolarHBondContact O-N 3.17Å; A488-R490 PolarHBondContact O-N 3.28Å; R490-S494 VanDerWaalsContact O-CB 3.31Å; R490-S494 WeakPolarHBondContact O-CB 3.49Å; R490-S494 PolarHBondContact O-N 3.17Å
491V85.8Confident82.7Confident66 Ų66121.8 Ų121.840%0.458%0.576SS.*Hα-helixtrans-68.1-43.3176.8171.80000111R487 A488 L489 S494 R495R487-V491 WeakPolarHBondContact O-CG2 3.35Å; R487-V491 PolarHBondContact O-N 3.44Å; A488-V491 PolarHBondContact O-N 2.65Å; L489-V491 VanDerWaalsContact C-N 3.34Å; L489-V491 PolarHBondContact O-N 3.48Å; V491-S494 WeakPolarHBondContact O-CB 3.47Å; V491-S494 PolarHBondContact O-N 3.07Å; V491-R495 WeakPolarHBondContact O-CG 3.4Å; V491-R495 PolarHBondContact O-N 3.43Å
492L85.5Confident82.1Confident108 Ų108129.4 Ų129.457%0.56560%0.595SS**Hα-helixtrans-61-45.2175.1-75172.5000111.5A488 L489 S494 R495 A496A488-L492 WeakPolarHBondContact O-CG 3.31Å; A488-L492 PolarHBondContact O-N 3.36Å; L489-L492 PolarHBondContact O-N 3.3Å; L492-S494 VanDerWaalsContact C-N 3.31Å; L492-S494 PolarHBondContact O-N 2.94Å; L492-R495 PolarHBondContact O-N 3.31Å; L492-A496 WeakPolarHBondContact O-CB 3.45Å; L492-A496 PolarHBondContact O-N 3.37Å
493E87Confident81.4Confident94 Ų94128.6 Ų128.644%0.43960%0.604SS.*Hα-helixtrans-61.8-40176.1-162.9-171.4179.300111.7L489 A496 R497L489-E493 WeakPolarHBondContact O-CB 3.29Å; L489-E493 PolarHBondContact O-N 3.5Å; E493-A496 PolarHBondContact O-N 3.36Å; E493-R497 VanDerWaalsContact O-CG 3.28Å; E493-R497 WeakPolarHBondContact O-CG 3.37Å; E493-R497 PolarHBondContact O-N 3.06Å; E493-R497 IonicContact OE1-CZ 3.83Å; E493-R497 IonicContact OE1-NE 2.63Å; E493-R497 IonicContact OE1-NH2 3.52Å; E493-R497 PolarHBondContact OE1-NH2 3.2Å; E493-R497 IonicContact OE2-NH2 3.74Å
494S85.1Confident80.8Confident51 Ų51129.5 Ų129.536%0.35761%0.606SS.*Hα-helixtrans-65-42.6175.8-175.30000112.7R490 V491 L492 R497 K498R490-S494 VanDerWaalsContact O-CB 3.31Å; R490-S494 WeakPolarHBondContact O-CB 3.49Å; R490-S494 PolarHBondContact O-N 3.17Å; V491-S494 WeakPolarHBondContact O-CB 3.47Å; V491-S494 PolarHBondContact O-N 3.07Å; L492-S494 VanDerWaalsContact C-N 3.31Å; L492-S494 PolarHBondContact O-N 2.94Å; S494-R497 PolarHBondContact O-N 3.35Å; S494-K498 WeakPolarHBondContact O-CG 3.42Å; S494-K498 PolarHBondContact O-N 3.48Å; S494-K498 VanDerWaalsContact O-N 3.14Å
495R83.9Confident80.4Confident172 Ų172125.5 Ų125.565%0.64960%0.602SS**Hα-helixtrans-63.2-46.1175.5-74.1179.1178.2-177.3-0111.2V491 L492 R497 K498 Q499V491-R495 WeakPolarHBondContact O-CG 3.4Å; V491-R495 PolarHBondContact O-N 3.43Å; L492-R495 PolarHBondContact O-N 3.31Å; R495-R497 VanDerWaalsContact C-N 3.28Å; R495-R497 PolarHBondContact O-N 2.92Å; R495-K498 PolarHBondContact O-N 3.45Å; R495-K498 VanDerWaalsContact O-N 3.15Å; R495-Q499 PolarHBondContact O-N 3.39Å
496A82.1Confident80.1Confident68 Ų68122.9 Ų122.956%0.56260%0.597SS**Hα-helixtrans-60.4-36.4176.900000112.4L492 E493L492-A496 WeakPolarHBondContact O-CB 3.45Å; L492-A496 PolarHBondContact O-N 3.37Å; E493-A496 PolarHBondContact O-N 3.36Å
497R77.1Confident79.7Confident134 Ų134131.5 Ų131.551%0.50662%0.621SS.*Hα-helixtrans-68-38.2175.1-72.9173.6-174.3-166.73.9112.9E493 S494 R495 Q504E493-R497 VanDerWaalsContact O-CG 3.28Å; E493-R497 WeakPolarHBondContact O-CG 3.37Å; E493-R497 PolarHBondContact O-N 3.06Å; E493-R497 IonicContact OE1-CZ 3.83Å; E493-R497 IonicContact OE1-NE 2.63Å; E493-R497 IonicContact OE1-NH2 3.52Å; E493-R497 PolarHBondContact OE1-NH2 3.2Å; E493-R497 IonicContact OE2-NH2 3.74Å; S494-R497 PolarHBondContact O-N 3.35Å; R495-R497 VanDerWaalsContact C-N 3.28Å; R495-R497 PolarHBondContact O-N 2.92Å; R497-Q504 PolarHBondContact O-NE2 3.19Å
498K77.4Confident79.4Confident163 Ų163128.7 Ų128.771%0.70963%0.629SS**Hα-helixtrans-80.2-21.5-176-70.1179.8-177.5-176.10114.1S494 R495 V500S494-K498 WeakPolarHBondContact O-CG 3.42Å; S494-K498 PolarHBondContact O-N 3.48Å; S494-K498 VanDerWaalsContact O-N 3.14Å; R495-K498 PolarHBondContact O-N 3.45Å; R495-K498 VanDerWaalsContact O-N 3.15Å; K498-V500 PolarHBondContact O-N 3.07Å
499Q72.3Confident79Confident172 Ų172129.8 Ų129.880%0.80464%0.637SS**  trans-82.849.5-172.4-152.1178.822.100113.6R495R495-Q499 PolarHBondContact O-N 3.39Å
500V67.1Low78.3Confident85 Ų85133 Ų13352%0.51564%0.641SS.*  trans-125.2117.2178.9-1750000109.5K498 R502K498-V500 PolarHBondContact O-N 3.07Å; V500-R502 HydrophobicContact CG1-CB 4.1Å; V500-R502 PolarHBondContact O-N 3.47Å
501R65.5Low77.9Confident266 Ų266130.6 Ų130.6100%1.00465%0.65SS**SBendtrans-66.9-10.8178.2-72.6-174.9175.6-178-1.1114
502R72.9Confident77.3Confident204 Ų204132.5 Ų132.577%0.7766%0.662SS**SBendtrans-101.1147.2179.7-61.2-178.8-178.7-178.50.4109.2V500 Q504V500-R502 HydrophobicContact CG1-CB 4.1Å; V500-R502 PolarHBondContact O-N 3.47Å; R502-Q504 PolarHBondContact O-N 3.04Å
503P75Confident76.9Confident125 Ų125130.4 Ų130.481%0.81266%0.656SS**PPolyproline II helixtrans-56137.4175.321.9-31.6000111.2
504Q74Confident76.3Confident134 Ų134130.7 Ų130.763%0.62666%0.664SS**PPolyproline II helixtrans-69140.7-179.8-70.6-161.6-8.100111.6R497 R502R497-Q504 PolarHBondContact O-NE2 3.19Å; R502-Q504 PolarHBondContact O-N 3.04Å
505V77Confident75.9Confident105 Ų105135.7 Ų135.764%0.63668%0.682SS**PPolyproline II helixtrans-68.9128.2174.6-177.70000109.2A509V505-A509 HydrophobicContact CG1-CB 4Å
506P80.7Confident75.6Confident78 Ų78132.8 Ų132.851%0.50667%0.674SS.*PPolyproline II helixtrans-63.6146.6178.426.3-34.2000111.4S508 A509P506-S508 PolarHBondContact O-N 3.45Å; P506-A509 HydrophobicContact CG-CB 4.14Å; P506-A509 PolarHBondContact O-N 3.31Å
507R78.7Confident75.3Confident219 Ų219133.5 Ų133.583%0.82667%0.667SS**G310 helixtrans-58.4-29.7179.3-70.4-177-178.1176.40.7113A509 R510R507-A509 PolarHBondContact O-N 2.86Å; R507-R510 PolarHBondContact O-N 3.26Å; R507-R510 VanDerWaalsContact O-N 3.16Å
508S82.4Confident75.3Confident118 Ų118131.7 Ų131.783%0.82566%0.664SS**G310 helixtrans-64.2-25.2177.252.90000113.8P506P506-S508 PolarHBondContact O-N 3.45Å
509A77.5Confident75.4Confident73 Ų73130 Ų13060%0.60366%0.657SS**G310 helixtrans-90.41.2177.900000113.1V505 P506 R507V505-A509 HydrophobicContact CG1-CB 4Å; P506-A509 HydrophobicContact CG-CB 4.14Å; P506-A509 PolarHBondContact O-N 3.31Å; R507-A509 PolarHBondContact O-N 2.86Å
510R72.3Confident75.8Confident189 Ų189125.5 Ų125.571%0.71364%0.639SS**SBendtrans-115.3118.6-169.4-158.4175.8178.6-179.3-0.3110.4R507R507-R510 PolarHBondContact O-N 3.26Å; R507-R510 VanDerWaalsContact O-N 3.16Å
511S77.7Confident76.4Confident119 Ų119124.1 Ų124.183%0.83263%0.628SS**PPolyproline II helixtrans-68.6132.9172.156.60000110.9
512V73.1Confident77.1Confident105 Ų105113.5 Ų113.564%0.63660%0.602SS**PPolyproline II helixtrans-102.5135178.7-174.80000109.9I517V512-I517 HydrophobicContact CG1-CD1 3.74Å; V512-I517 HydrophobicContact CG1-CG1 3.95Å
513S75.8Confident77.2Confident65 Ų65110.6 Ų110.646%0.45560%0.596SS.*PPolyproline II helixtrans-82.1128.5176.558.80000111.4H515 K516 I517S513-H515 PolarHBondContact O-N 3.15Å; S513-K516 PolarHBondContact O-N 3.17Å; S513-K516 VanDerWaalsContact O-N 3.16Å; S513-K516 WeakPolarHBondContact OG-CB 3.49Å; S513-I517 PolarHBondContact O-N 2.98Å
514V75.2Confident77.4Confident100 Ų100110.8 Ų110.861%0.60659%0.59SS**Hα-helixtrans-55.3-39.4177.2-178.10000112.1K516 I517 H518 M530V514-K516 VanDerWaalsContact C-N 3.3Å; V514-K516 PolarHBondContact O-N 3.41Å; V514-I517 WeakPolarHBondContact O-CB 3.44Å; V514-I517 PolarHBondContact O-N 2.89Å; V514-I517 VanDerWaalsContact O-N 3.14Å; V514-H518 PolarHBondContact O-N 3.16Å; V514-M530 HydrophobicContact CG1-SD 4.15Å
515H75.9Confident77.4Confident155 Ų155107.6 Ų107.672%0.71859%0.593SS**Hα-helixtrans-64.5-33.8-177.9-151.865.8000113.6S513 H518 K519S513-H515 PolarHBondContact O-N 3.15Å; H515-H518 PolarHBondContact O-N 2.93Å; H515-K519 WeakPolarHBondContact O-CB 3.38Å; H515-K519 PolarHBondContact O-N 3.26Å
516K77.7Confident77.3Confident112 Ų112107.6 Ų107.649%0.48759%0.589SS.*Hα-helixtrans-67.4-41.8175.6-176173.2-179.3173.30110.8S513 V514 H518 K519 D520S513-K516 PolarHBondContact O-N 3.17Å; S513-K516 VanDerWaalsContact O-N 3.16Å; S513-K516 WeakPolarHBondContact OG-CB 3.49Å; V514-K516 VanDerWaalsContact C-N 3.3Å; V514-K516 PolarHBondContact O-N 3.41Å; K516-H518 VanDerWaalsContact C-N 3.34Å; K516-K519 PolarHBondContact O-N 3.32Å; K516-D520 WeakPolarHBondContact O-CB 3.28Å; K516-D520 PolarHBondContact O-N 3.41Å
517I75.1Confident76.4Confident83 Ų83113.4 Ų113.443%0.42661%0.609SS.*Hα-helixtrans-62.8-44.6176.2-63.2174.9000110.2V512 S513 V514 K519 D520 L521V512-I517 HydrophobicContact CG1-CD1 3.74Å; V512-I517 HydrophobicContact CG1-CG1 3.95Å; S513-I517 PolarHBondContact O-N 2.98Å; V514-I517 WeakPolarHBondContact O-CB 3.44Å; V514-I517 PolarHBondContact O-N 2.89Å; V514-I517 VanDerWaalsContact O-N 3.14Å; I517-K519 PolarHBondContact O-N 3.23Å; I517-D520 PolarHBondContact O-N 3.12Å; I517-L521 HydrophobicContact CG2-CD1 3.59Å; I517-L521 HydrophobicContact CG2-CG 4.2Å; I517-L521 WeakPolarHBondContact O-CB 3.47Å; I517-L521 VanDerWaalsContact O-CG 3.27Å; I517-L521 WeakPolarHBondContact O-CG 3.25Å; I517-L521 PolarHBondContact O-N 2.89Å
518H78Confident75.7Confident96 Ų96106.2 Ų106.244%0.44459%0.59SS.*Hα-helixtrans-61.5-43.9177.4-179.1-80.4000112.4V514 H515 K516 L521 G522V514-H518 PolarHBondContact O-N 3.16Å; H515-H518 PolarHBondContact O-N 2.93Å; K516-H518 VanDerWaalsContact C-N 3.34Å; H518-L521 PolarHBondContact O-N 3.49Å; H518-G522 PolarHBondContact O-N 2.85Å
519K80.3Confident74.6Confident128 Ų128107.6 Ų107.656%0.55759%0.588SS**Hα-helixtrans-62.5-48.3176.8-173.1-179176.5-175.70111.3H515 K516 I517 L521 G522 E523H515-K519 WeakPolarHBondContact O-CB 3.38Å; H515-K519 PolarHBondContact O-N 3.26Å; K516-K519 PolarHBondContact O-N 3.32Å; I517-K519 PolarHBondContact O-N 3.23Å; K519-L521 VanDerWaalsContact C-N 3.31Å; K519-L521 PolarHBondContact O-N 2.78Å; K519-G522 PolarHBondContact O-N 2.89Å; K519-E523 WeakPolarHBondContact CE-OE1 3.46Å; K519-E523 WeakPolarHBondContact O-CG 3.43Å; K519-E523 PolarHBondContact O-N 3.47Å
520D80.4Confident73.8Confident77 Ų77110.2 Ų110.241%0.41259%0.589SS.*Hα-helixtrans-64.4-35.4-178.8-64.5-6.9000111.2K516 I517 L524K516-D520 WeakPolarHBondContact O-CB 3.28Å; K516-D520 PolarHBondContact O-N 3.41Å; I517-D520 PolarHBondContact O-N 3.12Å; D520-L524 WeakPolarHBondContact O-CD1 3.27Å; D520-L524 WeakPolarHBondContact O-CG 3.48Å
521L79.9Confident72.9Confident55 Ų55109.3 Ų109.329%0.28859%0.593SS.*Hα-helixtrans-77.9-33.5175.8-71.3173.6000113.2I517 H518 K519 L524 G525 L526 V528I517-L521 HydrophobicContact CG2-CD1 3.59Å; I517-L521 HydrophobicContact CG2-CG 4.2Å; I517-L521 WeakPolarHBondContact O-CB 3.47Å; I517-L521 VanDerWaalsContact O-CG 3.27Å; I517-L521 WeakPolarHBondContact O-CG 3.25Å; I517-L521 PolarHBondContact O-N 2.89Å; H518-L521 PolarHBondContact O-N 3.49Å; K519-L521 VanDerWaalsContact C-N 3.31Å; K519-L521 PolarHBondContact O-N 2.78Å; L521-L524 CarbonylContact O-C 3.59Å; L521-L524 WeakPolarHBondContact O-CA 3.38Å; L521-L524 WeakPolarHBondContact O-CB 3.37Å; L521-L524 PolarHBondContact O-N 3.1Å; L521-L524 VanDerWaalsContact O-N 3.12Å; L521-G525 PolarHBondContact O-N 3.18Å; L521-L526 HydrophobicContact CD2-CD1 4.16Å; L521-L526 PolarHBondContact O-N 2.91Å; L521-V528 HydrophobicContact CB-CG2 4.33Å; L521-V528 HydrophobicContact CD1-CG2 3.75Å
522G79Confident71.7Confident44 Ų44112.1 Ų112.145%0.45459%0.593SS.*Hα-helixtrans-68.6-37.8175.400000112.4H518 K519 L524 G525H518-G522 PolarHBondContact O-N 2.85Å; K519-G522 PolarHBondContact O-N 2.89Å; G522-L524 PolarHBondContact O-N 3.01Å; G522-L524 VanDerWaalsContact O-N 3.15Å; G522-G525 PolarHBondContact O-N 3.14Å
523E76.3Confident70.4Confident142 Ų142116.3 Ų116.366%0.66461%0.605SS**THydrogen-bonded Turntrans-61.4-18.6170.6-74.9177.4-169.900112.7K519K519-E523 WeakPolarHBondContact CE-OE1 3.46Å; K519-E523 WeakPolarHBondContact O-CG 3.43Å; K519-E523 PolarHBondContact O-N 3.47Å
524L77.8Confident69.1Low130 Ų130116.7 Ų116.768%0.68162%0.619SS**THydrogen-bonded Turntrans-99.2-1.4176.1-66.6168.1000113.7D520 L521 G522 L526D520-L524 WeakPolarHBondContact O-CD1 3.27Å; D520-L524 WeakPolarHBondContact O-CG 3.48Å; L521-L524 CarbonylContact O-C 3.59Å; L521-L524 WeakPolarHBondContact O-CA 3.38Å; L521-L524 WeakPolarHBondContact O-CB 3.37Å; L521-L524 PolarHBondContact O-N 3.1Å; L521-L524 VanDerWaalsContact O-N 3.12Å; G522-L524 PolarHBondContact O-N 3.01Å; G522-L524 VanDerWaalsContact O-N 3.15Å; L524-L526 HydrophobicContact CB-CD1 4.09Å
525G73.8Confident67.6Low67 Ų67121.3 Ų121.369%0.69163%0.634SS**THydrogen-bonded Turntrans76.220.8178.100000115.4L521 G522L521-G525 PolarHBondContact O-N 3.18Å; G522-G525 PolarHBondContact O-N 3.14Å
526L75.2Confident66.3Low104 Ų104125.7 Ų125.755%0.54565%0.645SS.*  trans-95120.5175.7-76.4136.1000110.6L521 L524L521-L526 HydrophobicContact CD2-CD1 4.16Å; L521-L526 PolarHBondContact O-N 2.91Å; L524-L526 HydrophobicContact CB-CD1 4.09Å
527E62Low64.9Low200 Ų200124 Ų12494%0.93566%0.659SS**  trans-77.8125.8175.4-66.8-175.4165.300110.7
528V63.3Low63.3Low68 Ų68131.5 Ų131.541%0.41268%0.682SS.*  trans-115.5110.5-179-177.90000109.4L521L521-V528 HydrophobicContact CB-CG2 4.33Å; L521-V528 HydrophobicContact CD1-CG2 3.75Å
529D61.1Low61.7Low148 Ų148132.4 Ų132.479%0.79170%0.699SS**  trans-79.9130.8177.7-129.5-17.5000111
530M59.6Low59.6Low128 Ų128133.6 Ų133.663%0.63171%0.711SS**  trans-114.813.4-168.4-81.7-97.85600114.4V514V514-M530 HydrophobicContact CG1-SD 4.15Å
531H54.3Low57.5Low169 Ų169139.3 Ų139.378%0.78273%0.732SS**  trans-78.7136.8170.7-83-83.3000110.1
532E51.6Low55.2Low179 Ų179148 Ų14884%0.83676%0.761SS**SBendtrans94120.5174.7-53.9-171.8149.500118.5
533Q45.8Very low53Low192 Ų192150.6 Ų150.690%0.89778%0.778SS**  trans69.576.5157.5-57.8-175.71500119.2
534G49.5Very low51.1Low73 Ų73148.2 Ų148.275%0.75378%0.783SS**  trans-15831.7157.900000112.1R536G534-R536 PolarHBondContact O-N 3.01Å
535E44.1Very low49.1Very low197 Ų197152.1 Ų152.192%0.92179%0.788SS**  trans-72.271.1-178.3-67.5-166.8148.800111.6
536R46.7Very low47.4Very low248 Ų248152.8 Ų152.894%0.93679%0.788SS**  trans-159.363.7167.4-126.4-179.7-175.4-169.12.6111.8G534G534-R536 PolarHBondContact O-N 3.01Å
537G49.4Very low45.5Very low77 Ų77157.3 Ų157.379%0.79480%0.798SS**  trans-148.3-5170.100000115.2S539G537-S539 PolarHBondContact O-N 3.26Å
538R40.9Very low44.4Very low240 Ų240152.1 Ų152.191%0.90678%0.776SS**  trans-90.5104.7-176.8-133.1178.2-172.3-179.22.7109.9
539S45.6Very low43.5Very low114 Ų114155.2 Ų155.280%0.79780%0.801SS**  trans-75.6136.4155.350.50000108.7G537G537-S539 PolarHBondContact O-N 3.26Å
540L36.5Very low43Very low154 Ų154152.6 Ų152.681%0.80679%0.79SS**  trans-82.7137.3177-68.7160.5000109.1
541K35.6Very low42.3Very low196 Ų196150.7 Ų150.785%0.85279%0.787SS**  trans70.6143.8165.8-62.4175.5173.8174.80117.9
542R32.2Very low42Very low237 Ų237146.3 Ų146.389%0.89477%0.77SS**  trans76.9103.3164.2-69.1178.2172177.3-2.7116.2
543A32.4Very low42.1Very low99 Ų99144.7 Ų144.782%0.81877%0.766SS**  6289.38000000113.3
544A35.7Very low42.7Very low92 Ų92142.6 Ų142.676%0.7676%0.756SS**  -178.9105.5126.500000110.5
545R36.1Very low42.8Very low212 Ų212147.5 Ų147.580%0.875%0.752SS**  trans44.8103.5134.1-74.1179.8-180-177-0116
546A37.2Very low43.2Very low82 Ų82144.3 Ų144.368%0.67874%0.737SS**  33.5136.169.400000113.3
547R35.3Very low43.6Very low199 Ų199133.8 Ų133.875%0.75170%0.703SS**  trans87.9104.1169.5-46.3162.6-160.6-177.12.3113.8
548N40.2Very low43.9Very low90 Ų90132.7 Ų132.748%0.48168%0.683SS.*  165.886.5117-76.6-7.3000107.6T550 N552N548-T550 VanDerWaalsContact C-N 3.25Å; N548-T550 CarbonylContact C-O 3.33Å; N548-T550 VanDerWaalsContact O-O 3.11Å; N548-N552 HydrophobicContact CB-CB 4.14Å; N548-N552 PolarHBondContact ND2-ND2 2.88Å
549S44.6Very low44.6Very low133 Ų133126.4 Ų126.493%0.9367%0.667SS**SBendtrans-90.810.1163.473.20000112.1
550T49.8Very low45Very low94 Ų94124.1 Ų124.158%0.57765%0.654SS**SBendtrans-77.6131.5141.644.70000107N548 N552N548-T550 VanDerWaalsContact C-N 3.25Å; N548-T550 CarbonylContact C-O 3.33Å; N548-T550 VanDerWaalsContact O-O 3.11Å; T550-N552 PolarHBondContact O-N 3.32Å
551P45.5Very low46Very low87 Ų87125.1 Ų125.157%0.56565%0.648SS**  trans-58106.9173.723.3-29.7000107.2L553P551-L553 VanDerWaalsContact C-N 3.33Å; P551-L553 PolarHBondContact O-N 3.35Å
552N48.5Very low47Very low77 Ų77120.2 Ų120.241%0.41264%0.643SS.*  trans-7097.2-178.8-161.54000106.5N548 T550 H554 R555 E556N548-N552 HydrophobicContact CB-CB 4.14Å; N548-N552 PolarHBondContact ND2-ND2 2.88Å; T550-N552 PolarHBondContact O-N 3.32Å; N552-H554 PolarHBondContact O-N 3.1Å; N552-R555 PolarHBondContact O-N 3.39Å; N552-E556 PolarHBondContact O-N 2.9Å
553L52.4Low48.3Very low146 Ų146113.3 Ų113.376%0.76463%0.631SS**Hα-helixtrans-47.3-24.5-173.3-82.4133.1000113.3P551 A557P551-L553 VanDerWaalsContact C-N 3.33Å; P551-L553 PolarHBondContact O-N 3.35Å; L553-A557 WeakPolarHBondContact O-CB 3.39Å; L553-A557 PolarHBondContact O-N 3.37Å
554H58.8Low49.6Very low148 Ų148111.3 Ų111.369%0.68561%0.609SS**Hα-helixtrans-84.1-23.3176.8-77-35.7000116.6N552 S558N552-H554 PolarHBondContact O-N 3.1Å; H554-S558 WeakPolarHBondContact O-CB 3.27Å; H554-S558 PolarHBondContact O-N 3.12Å; H554-S558 VanDerWaalsContact O-N 3.08Å
555R52.2Low51.1Low176 Ų176109.4 Ų109.466%0.66459%0.59SS**Hα-helixtrans-91.3-34.1178.9-167.6174.9-178.6174.10.2112.5N552 A557 S558 I559N552-R555 PolarHBondContact O-N 3.39Å; R555-A557 VanDerWaalsContact C-N 3.3Å; R555-S558 PolarHBondContact O-N 3.21Å; R555-S558 VanDerWaalsContact O-N 3.16Å; R555-S558 PolarHBondContact O-OG 3.22Å; R555-S558 VanDerWaalsContact O-OG 3.04Å; R555-I559 HydrophobicContact CG-CD1 4.37Å; R555-I559 WeakPolarHBondContact O-CG1 3.42Å; R555-I559 PolarHBondContact O-N 2.81Å
556E52.5Low53Low129 Ų129110.8 Ų110.860%0.60360%0.595SS**Hα-helixtrans-65.4-38.5165-76.4-176.7157.700110.5N552 S558 A560N552-E556 PolarHBondContact O-N 2.9Å; E556-S558 VanDerWaalsContact C-N 3.27Å; E556-S558 PolarHBondContact O-N 2.93Å; E556-A560 WeakPolarHBondContact O-CB 3.37Å; E556-A560 PolarHBondContact O-N 3.42Å
557A54.1Low54.9Low28 Ų28110.1 Ų110.123%0.23159%0.586CS.*Hα-helixtrans-68.1-20.6170.500000113.9L553 R555 R561L553-A557 WeakPolarHBondContact O-CB 3.39Å; L553-A557 PolarHBondContact O-N 3.37Å; R555-A557 VanDerWaalsContact C-N 3.3Å; A557-R561 WeakPolarHBondContact O-CB 3.39Å; A557-R561 WeakPolarHBondContact O-CD 3.42Å; A557-R561 WeakPolarHBondContact O-CG 3.27Å; A557-R561 PolarHBondContact O-N 2.99Å; A557-R561 PolarHBondContact O-NE 3.37Å
558S56.7Low56.8Low54 Ų54107.5 Ų107.538%0.37858%0.576SS.*Hα-helixtrans-87-37.1176.183.30000112.5H554 R555 E556 A560 R561 A562H554-S558 WeakPolarHBondContact O-CB 3.27Å; H554-S558 PolarHBondContact O-N 3.12Å; H554-S558 VanDerWaalsContact O-N 3.08Å; R555-S558 PolarHBondContact O-N 3.21Å; R555-S558 VanDerWaalsContact O-N 3.16Å; R555-S558 PolarHBondContact O-OG 3.22Å; R555-S558 VanDerWaalsContact O-OG 3.04Å; E556-S558 VanDerWaalsContact C-N 3.27Å; E556-S558 PolarHBondContact O-N 2.93Å; S558-A560 VanDerWaalsContact C-N 3.3Å; S558-R561 CarbonylContact O-C 3.55Å; S558-R561 WeakPolarHBondContact O-CA 3.16Å; S558-R561 PolarHBondContact O-N 3.38Å; S558-A562 WeakPolarHBondContact O-CB 3.46Å; S558-A562 PolarHBondContact O-N 2.95Å
559I54.5Low58.6Low108 Ų108107.1 Ų107.155%0.55458%0.58SS**Hα-helixtrans-70.6-32.6172.1-64.9168.6000109.8R555 R561R555-I559 HydrophobicContact CG-CD1 4.37Å; R555-I559 WeakPolarHBondContact O-CG1 3.42Å; R555-I559 PolarHBondContact O-N 2.81Å; I559-R561 PolarHBondContact O-N 2.85Å
560A54.1Low60.3Low65 Ų65104.1 Ų104.154%0.53757%0.57SS.*Hα-helixtrans-68.4-13.8166.100000114E556 S558 V564E556-A560 WeakPolarHBondContact O-CB 3.37Å; E556-A560 PolarHBondContact O-N 3.42Å; S558-A560 VanDerWaalsContact C-N 3.3Å; A560-V564 WeakPolarHBondContact O-CG2 3.17Å
561R56.9Low61.8Low176 Ų176101.8 Ų101.866%0.66455%0.554SS**Hα-helixtrans-105.3-24.5178.4-80.6176.7-123.4-164.7-4.1114.9A557 S558 I559 V564A557-R561 WeakPolarHBondContact O-CB 3.39Å; A557-R561 WeakPolarHBondContact O-CD 3.42Å; A557-R561 WeakPolarHBondContact O-CG 3.27Å; A557-R561 PolarHBondContact O-N 2.99Å; A557-R561 PolarHBondContact O-NE 3.37Å; S558-R561 CarbonylContact O-C 3.55Å; S558-R561 WeakPolarHBondContact O-CA 3.16Å; S558-R561 PolarHBondContact O-N 3.38Å; I559-R561 PolarHBondContact O-N 2.85Å; R561-V564 WeakPolarHBondContact O-CG2 3.26Å
562A56.8Low63.2Low92 Ų92107.4 Ų107.476%0.7656%0.564SS**Hα-helixtrans-92.3-24.8-172.100000114.1S558S558-A562 WeakPolarHBondContact O-CB 3.46Å; S558-A562 PolarHBondContact O-N 2.95Å
563S60.2Low64.8Low92 Ų92107.1 Ų107.164%0.64356%0.562SS**THydrogen-bonded Turntrans-132.161.9167.564.60000107.3S565S563-S565 PolarHBondContact O-N 2.78Å
564V59.6Low66.1Low58 Ų58107.6 Ų107.635%0.35256%0.561SS.*  trans-59.8113.3169.5-1620000105.5A560 R561 R566 R568 S569A560-V564 WeakPolarHBondContact O-CG2 3.17Å; R561-V564 WeakPolarHBondContact O-CG2 3.26Å; V564-R566 PolarHBondContact O-N 3.37Å; V564-R568 HydrophobicContact CG1-CB 3.58Å; V564-S569 VanDerWaalsContact CG1-CA 3.46Å
565S66.5Low67.3Low51 Ų51108.8 Ų108.836%0.35756%0.564SS.*  trans-53.1141.5175.2630000107.4S563 S567 R568 S569S563-S565 PolarHBondContact O-N 2.78Å; S565-S567 PolarHBondContact O-N 2.67Å; S565-S567 PolarHBondContact OG-OG 3.5Å; S565-R568 PolarHBondContact O-N 3.08Å; S565-R568 WeakPolarHBondContact OG-CD 3.45Å; S565-R568 WeakPolarHBondContact OG-CG 3.27Å; S565-S569 PolarHBondContact O-N 2.86Å
566R77.8Confident68.8Low242 Ų242104.2 Ų104.291%0.91355%0.551SS**THydrogen-bonded Turntrans-51.4-23.3-179.679.1177.2-155.1175.16.5113.6V564 R568 S569V564-R566 PolarHBondContact O-N 3.37Å; R566-R568 VanDerWaalsContact C-N 3.34Å; R566-S569 PolarHBondContact O-OG 3.26Å
567S75.9Confident70.4Confident68 Ų6899.3 Ų99.348%0.47653%0.528SS..THydrogen-bonded Turntrans-75.1-15176.453.40000114.9S565 L571S565-S567 PolarHBondContact O-N 2.67Å; S565-S567 PolarHBondContact OG-OG 3.5Å; S567-L571 VanDerWaalsContact O-CD1 3.31Å; S567-L571 WeakPolarHBondContact O-CD1 3.2Å
568R76.4Confident71.9Confident143 Ų143101.8 Ų101.854%0.5454%0.538SS..THydrogen-bonded Turntrans-113.3-23.4-176.1-74.2177.3177.8-175-1.8113.2V564 S565 R566 G570 L571 H577V564-R568 HydrophobicContact CG1-CB 3.58Å; S565-R568 PolarHBondContact O-N 3.08Å; S565-R568 WeakPolarHBondContact OG-CD 3.45Å; S565-R568 WeakPolarHBondContact OG-CG 3.27Å; R566-R568 VanDerWaalsContact C-N 3.34Å; R568-G570 PolarHBondContact O-N 2.88Å; R568-G570 VanDerWaalsContact O-N 3.14Å; R568-L571 PolarHBondContact O-N 2.7Å; R568-H577 VanDerWaalsContact CG-CD2 3.43Å; R568-H577 WeakPolarHBondContact CG-CD2 3.44Å; R568-H577 WeakPolarHBondContact CG-NE2 3.31Å
569S76.3Confident73.3Confident83 Ų83101.6 Ų101.658%0.5853%0.534SS*.THydrogen-bonded Turntrans-67.2-15-169.858.90000115.7V564 S565 R566V564-S569 VanDerWaalsContact CG1-CA 3.46Å; S565-S569 PolarHBondContact O-N 2.86Å; R566-S569 PolarHBondContact O-OG 3.26Å
570G80.2Confident74.9Confident70 Ų7099.1 Ų99.172%0.72252%0.524SS*.THydrogen-bonded Turntrans-112.114.9-178.100000115.1R568R568-G570 PolarHBondContact O-N 2.88Å; R568-G570 VanDerWaalsContact O-N 3.14Å
571L81.7Confident76.5Confident45 Ų45101.9 Ų101.924%0.23652%0.524CS..  trans-121.1136.5-170.8-62166.2000110.6S567 R568 M576 H577 V580S567-L571 VanDerWaalsContact O-CD1 3.31Å; S567-L571 WeakPolarHBondContact O-CD1 3.2Å; R568-L571 PolarHBondContact O-N 2.7Å; L571-M576 HydrophobicContact CB-CB 4.46Å; L571-M576 HydrophobicContact CD2-CE 4.22Å; L571-H577 HydrophobicContact CD1-CB 4.11Å; L571-V580 HydrophobicContact CD1-CB 4.11Å; L571-V580 HydrophobicContact CD1-CG1 4.29Å; L571-V580 HydrophobicContact CD1-CG2 4.26Å; L571-V580 HydrophobicContact CD2-CB 4.27Å; L571-V580 HydrophobicContact CD2-CG2 3.51Å
572R76.1Confident78Confident204 Ų204101.3 Ų101.377%0.7752%0.521SS*.SBendtrans-66.5-53.1-173.4-165.4-175.381.4178.45.2112.9M576R572-M576 HydrophobicContact CB-CE 4.07Å
573D80.5Confident79.5Confident71 Ų71102.6 Ų102.638%0.3851%0.513SS..SBendtrans-130.8162.7-170.1-56.7-31.5000111.3K575 M576 H577D573-K575 PolarHBondContact O-N 3.17Å; D573-M576 WeakPolarHBondContact O-CA 3.42Å; D573-M576 VanDerWaalsContact O-CB 3.31Å; D573-M576 WeakPolarHBondContact O-CB 3.49Å; D573-M576 PolarHBondContact O-N 3.27Å; D573-H577 PolarHBondContact O-N 3.44Å
574E80.7Confident80.8Confident156 Ų156101 Ų10173%0.72950%0.502SS*.Hα-helixtrans-62.5-34.1175.4-150.3174.1-157.700112M576 H577 D578E574-M576 VanDerWaalsContact C-N 3.32Å; E574-M576 PolarHBondContact O-N 2.96Å; E574-H577 WeakPolarHBondContact O-CB 3.37Å; E574-H577 PolarHBondContact O-N 3.3Å; E574-H577 VanDerWaalsContact O-N 3.14Å; E574-D578 PolarHBondContact O-N 2.86Å
575K84.3Confident82.1Confident174 Ų174104.9 Ų104.976%0.75751%0.514SS*.Hα-helixtrans-58.3-43169.7-69.9-176.6179.9177.10111.9D573 H577 D578 T579D573-K575 PolarHBondContact O-N 3.17Å; K575-H577 VanDerWaalsContact C-N 3.33Å; K575-D578 PolarHBondContact O-N 3.31Å; K575-T579 WeakPolarHBondContact O-CG2 3.46Å; K575-T579 PolarHBondContact O-N 2.9Å; K575-T579 PolarHBondContact O-OG1 3.09Å
576M83.9Confident83.2Confident79 Ų79107.1 Ų107.139%0.38952%0.521SS..Hα-helixtrans-64.7-39.3176.1-81.4-107.7-64.900111.2L571 R572 D573 E574 T579 V580L571-M576 HydrophobicContact CB-CB 4.46Å; L571-M576 HydrophobicContact CD2-CE 4.22Å; R572-M576 HydrophobicContact CB-CE 4.07Å; D573-M576 WeakPolarHBondContact O-CA 3.42Å; D573-M576 VanDerWaalsContact O-CB 3.31Å; D573-M576 WeakPolarHBondContact O-CB 3.49Å; D573-M576 PolarHBondContact O-N 3.27Å; E574-M576 VanDerWaalsContact C-N 3.32Å; E574-M576 PolarHBondContact O-N 2.96Å; M576-T579 VanDerWaalsContact C-OG1 3.3Å; M576-T579 VanDerWaalsContact CA-OG1 3.25Å; M576-T579 WeakPolarHBondContact CA-OG1 3.23Å; M576-T579 PolarHBondContact O-N 2.99Å; M576-T579 PolarHBondContact O-OG1 3.34Å; M576-V580 WeakPolarHBondContact O-CG2 3.46Å; M576-V580 PolarHBondContact O-N 3.32Å
577H85.2Confident83.6Confident26 Ų2698.9 Ų98.912%0.1251%0.505CS..Hα-helixtrans-61.3-43.4173.6175.5-91.1000112.8R568 L571 D573 E574 K575 T579 V580 K581R568-H577 VanDerWaalsContact CG-CD2 3.43Å; R568-H577 WeakPolarHBondContact CG-CD2 3.44Å; R568-H577 WeakPolarHBondContact CG-NE2 3.31Å; L571-H577 HydrophobicContact CD1-CB 4.11Å; D573-H577 PolarHBondContact O-N 3.44Å; E574-H577 WeakPolarHBondContact O-CB 3.37Å; E574-H577 PolarHBondContact O-N 3.3Å; E574-H577 VanDerWaalsContact O-N 3.14Å; K575-H577 VanDerWaalsContact C-N 3.33Å; H577-T579 VanDerWaalsContact C-N 3.34Å; H577-T579 PolarHBondContact O-N 2.89Å; H577-V580 PolarHBondContact O-N 2.94Å; H577-K581 WeakPolarHBondContact O-CB 3.47Å; H577-K581 PolarHBondContact O-N 3.49Å
578D86.5Confident84.1Confident81 Ų8199.6 Ų99.643%0.43350%0.5SS..Hα-helixtrans-66.6-35.7174.5-73.6-17000112.7E574 K575 R582E574-D578 PolarHBondContact O-N 2.86Å; K575-D578 PolarHBondContact O-N 3.31Å; D578-R582 WeakPolarHBondContact O-CB 3.34Å; D578-R582 PolarHBondContact O-N 2.99Å
579T86Confident84.6Confident49 Ų49100.8 Ų100.830%0.30151%0.505SS..Hα-helixtrans-65.2-43.9172.758.20000112K575 M576 H577 K581 R582 M583K575-T579 WeakPolarHBondContact O-CG2 3.46Å; K575-T579 PolarHBondContact O-N 2.9Å; K575-T579 PolarHBondContact O-OG1 3.09Å; M576-T579 VanDerWaalsContact C-OG1 3.3Å; M576-T579 VanDerWaalsContact CA-OG1 3.25Å; M576-T579 WeakPolarHBondContact CA-OG1 3.23Å; M576-T579 PolarHBondContact O-N 2.99Å; M576-T579 PolarHBondContact O-OG1 3.34Å; H577-T579 VanDerWaalsContact C-N 3.34Å; H577-T579 PolarHBondContact O-N 2.89Å; T579-K581 PolarHBondContact O-N 3.38Å; T579-R582 CarbonylContact O-C 3.59Å; T579-R582 WeakPolarHBondContact O-CA 3.29Å; T579-R582 WeakPolarHBondContact O-CB 3.43Å; T579-R582 PolarHBondContact O-N 3.47Å; T579-M583 WeakPolarHBondContact O-CG 3.49Å; T579-M583 PolarHBondContact O-N 3.07Å
580V87.6Confident85Confident56 Ų56104.8 Ų104.834%0.33951%0.512SS..Hα-helixtrans-68-37178.6167.50000111.4L571 M576 H577 R582 M583 S584L571-V580 HydrophobicContact CD1-CB 4.11Å; L571-V580 HydrophobicContact CD1-CG1 4.29Å; L571-V580 HydrophobicContact CD1-CG2 4.26Å; L571-V580 HydrophobicContact CD2-CB 4.27Å; L571-V580 HydrophobicContact CD2-CG2 3.51Å; M576-V580 WeakPolarHBondContact O-CG2 3.46Å; M576-V580 PolarHBondContact O-N 3.32Å; H577-V580 PolarHBondContact O-N 2.94Å; V580-R582 VanDerWaalsContact C-N 3.31Å; V580-R582 PolarHBondContact O-N 3.28Å; V580-M583 PolarHBondContact O-N 2.9Å; V580-S584 WeakPolarHBondContact O-CB 3.47Å; V580-S584 PolarHBondContact O-N 2.97Å
581K87.8Confident85.2Confident124 Ų124103.3 Ų103.354%0.53949%0.489SS..Hα-helixtrans-63.5-38.2172.9-155.7177.3-173.5-177.30111.3H577 T579 K585H577-K581 WeakPolarHBondContact O-CB 3.47Å; H577-K581 PolarHBondContact O-N 3.49Å; T579-K581 PolarHBondContact O-N 3.38Å; K581-K585 WeakPolarHBondContact O-CG 3.42Å; K581-K585 PolarHBondContact O-N 3.37Å; K581-K585 VanDerWaalsContact O-N 3.17Å
582R88.2Confident85.4Confident163 Ų163106.2 Ų106.262%0.61551%0.508SS*.Hα-helixtrans-64.6-47.1170.1-96.5-174.6-86.7162.8-9.7112.1D578 T579 V580 S584 K585 I586D578-R582 WeakPolarHBondContact O-CB 3.34Å; D578-R582 PolarHBondContact O-N 2.99Å; T579-R582 CarbonylContact O-C 3.59Å; T579-R582 WeakPolarHBondContact O-CA 3.29Å; T579-R582 WeakPolarHBondContact O-CB 3.43Å; T579-R582 PolarHBondContact O-N 3.47Å; V580-R582 VanDerWaalsContact C-N 3.31Å; V580-R582 PolarHBondContact O-N 3.28Å; R582-S584 VanDerWaalsContact C-N 3.33Å; R582-S584 PolarHBondContact O-N 3.26Å; R582-K585 PolarHBondContact O-N 3.11Å; R582-I586 WeakPolarHBondContact O-CG1 3.16Å; R582-I586 PolarHBondContact O-N 3.46Å
583M88.5Confident85.9Confident120 Ų120102.1 Ų102.159%0.59151%0.506SS*.Hα-helixtrans-60.7-41.3177.2-69.5-169.4-143.900111.9T579 V580 K585 I586 A587T579-M583 WeakPolarHBondContact O-CG 3.49Å; T579-M583 PolarHBondContact O-N 3.07Å; V580-M583 PolarHBondContact O-N 2.9Å; M583-K585 PolarHBondContact O-N 3.4Å; M583-I586 PolarHBondContact O-N 2.89Å; M583-I586 VanDerWaalsContact O-N 3.13Å; M583-A587 WeakPolarHBondContact O-CB 3.4Å; M583-A587 PolarHBondContact O-N 3.39Å
584S87.6Confident86.2Confident57 Ų57104.2 Ų104.240%0.39952%0.516SS..Hα-helixtrans-59.6-44.7175.3174.80000111.6V580 R582 I586 A587 Q588V580-S584 WeakPolarHBondContact O-CB 3.47Å; V580-S584 PolarHBondContact O-N 2.97Å; R582-S584 VanDerWaalsContact C-N 3.33Å; R582-S584 PolarHBondContact O-N 3.26Å; S584-I586 VanDerWaalsContact C-N 3.33Å; S584-I586 PolarHBondContact O-N 3.43Å; S584-A587 PolarHBondContact O-N 2.87Å; S584-Q588 WeakPolarHBondContact O-CB 3.4Å; S584-Q588 WeakPolarHBondContact O-CG 3.14Å; S584-Q588 PolarHBondContact O-N 3.08Å
585K86.4Confident86.5Confident141 Ų141101 Ų10161%0.61352%0.517SS*.Hα-helixtrans-61.9-38.4173.3-73.5-178.6178-174.60112.6K581 R582 M583 R589K581-K585 WeakPolarHBondContact O-CG 3.42Å; K581-K585 PolarHBondContact O-N 3.37Å; K581-K585 VanDerWaalsContact O-N 3.17Å; R582-K585 PolarHBondContact O-N 3.11Å; M583-K585 PolarHBondContact O-N 3.4Å; K585-R589 PolarHBondContact O-N 3.4Å
586I89Confident86.6Confident97 Ų9797.9 Ų97.950%0.49750%0.5SS..Hα-helixtrans-67.3-43.7176.7-66.9167.8000110.6R582 M583 S584 Q588 R589R582-I586 WeakPolarHBondContact O-CG1 3.16Å; R582-I586 PolarHBondContact O-N 3.46Å; M583-I586 PolarHBondContact O-N 2.89Å; M583-I586 VanDerWaalsContact O-N 3.13Å; S584-I586 VanDerWaalsContact C-N 3.33Å; S584-I586 PolarHBondContact O-N 3.43Å; I586-Q588 VanDerWaalsContact C-N 3.33Å; I586-Q588 PolarHBondContact O-N 3.32Å; I586-R589 WeakPolarHBondContact O-CB 3.28Å; I586-R589 WeakPolarHBondContact O-CG 3.33Å; I586-R589 PolarHBondContact O-N 2.87Å; I586-R589 VanDerWaalsContact O-N 3.1Å
587A86.9Confident86.7Confident69 Ų69103.9 Ų103.957%0.5752%0.524SS*.Hα-helixtrans-62.2-40.5177.100000112M583 S584 R589M583-A587 WeakPolarHBondContact O-CB 3.4Å; M583-A587 PolarHBondContact O-N 3.39Å; S584-A587 PolarHBondContact O-N 2.87Å; A587-R589 PolarHBondContact O-N 3.44Å
588Q86Confident86.8Confident83 Ų83104 Ų10439%0.38853%0.532SS..Hα-helixtrans-64.8-17.9175.8-75.3177.3-6.600113.5S584 I586 K590 V591 V592S584-Q588 WeakPolarHBondContact O-CB 3.4Å; S584-Q588 WeakPolarHBondContact O-CG 3.14Å; S584-Q588 PolarHBondContact O-N 3.08Å; I586-Q588 VanDerWaalsContact C-N 3.33Å; I586-Q588 PolarHBondContact O-N 3.32Å; Q588-K590 VanDerWaalsContact C-N 3.28Å; Q588-K590 PolarHBondContact O-N 2.92Å; Q588-V591 WeakPolarHBondContact O-CB 3.32Å; Q588-V591 PolarHBondContact O-N 3.27Å; Q588-V592 WeakPolarHBondContact O-CG2 3.23Å; Q588-V592 PolarHBondContact O-N 2.94Å
589R86.7Confident86.7Confident168 Ų168107.1 Ų107.163%0.63454%0.544SS*.Hα-helixtrans-52-46.9177.4-71.4-179.9172.8-178.8-3.6111.2K585 I586 A587 V591 V592 T593K585-R589 PolarHBondContact O-N 3.4Å; I586-R589 WeakPolarHBondContact O-CB 3.28Å; I586-R589 WeakPolarHBondContact O-CG 3.33Å; I586-R589 PolarHBondContact O-N 2.87Å; I586-R589 VanDerWaalsContact O-N 3.1Å; A587-R589 PolarHBondContact O-N 3.44Å; R589-V591 VanDerWaalsContact C-N 3.3Å; R589-V591 PolarHBondContact O-N 3.03Å; R589-V592 CarbonylContact O-C 3.48Å; R589-V592 PolarHBondContact O-N 2.85Å; R589-V592 VanDerWaalsContact O-N 3.1Å; R589-T593 PolarHBondContact O-N 3.19Å; R589-T593 PolarHBondContact O-OG1 3.02Å
590K84.9Confident86.7Confident168 Ų168108.2 Ų108.273%0.7357%0.565SS**Hα-helixtrans-58.1-39.6179.7-68.6-176.9179.1179.70113.2Q588 L594Q588-K590 VanDerWaalsContact C-N 3.28Å; Q588-K590 PolarHBondContact O-N 2.92Å; K590-L594 WeakPolarHBondContact O-CG 3.28Å; K590-L594 PolarHBondContact O-N 3.31Å
591V85.7Confident86.7Confident38 Ų38107.9 Ų107.923%0.2356%0.561CS.*Hα-helixtrans-67.1-44.5177.7-179.10000110Q588 R589 L594 A595 R596Q588-V591 WeakPolarHBondContact O-CB 3.32Å; Q588-V591 PolarHBondContact O-N 3.27Å; R589-V591 VanDerWaalsContact C-N 3.3Å; R589-V591 PolarHBondContact O-N 3.03Å; V591-L594 PolarHBondContact O-N 2.95Å; V591-A595 PolarHBondContact O-N 2.99Å; V591-R596 HydrophobicContact CG1-CB 3.75Å; V591-R596 PolarHBondContact O-N 3.42Å; V591-R596 VanDerWaalsContact O-N 3.12Å
592V85.1Confident86.7Confident107 Ų107111.3 Ų111.365%0.64857%0.571SS**Hα-helixtrans-66.7-41.6177.2176.20000111.6Q588 R589 L594 A595Q588-V592 WeakPolarHBondContact O-CG2 3.23Å; Q588-V592 PolarHBondContact O-N 2.94Å; R589-V592 CarbonylContact O-C 3.48Å; R589-V592 PolarHBondContact O-N 2.85Å; R589-V592 VanDerWaalsContact O-N 3.1Å; V592-L594 PolarHBondContact O-N 3.05Å; V592-A595 WeakPolarHBondContact O-CA 3.39Å; V592-A595 PolarHBondContact O-N 3.41Å
593T86.4Confident86.7Confident117 Ų117110.3 Ų110.372%0.71857%0.573SS**Hα-helixtrans-62.9-32.9178.1-40.70000111.5R589 A595R589-T593 PolarHBondContact O-N 3.19Å; R589-T593 PolarHBondContact O-OG1 3.02Å; T593-A595 VanDerWaalsContact C-N 3.29Å
594L86.4Confident86.7Confident115 Ų115111.6 Ų111.660%0.60258%0.581SS**THydrogen-bonded Turntrans-87.16.6174.4-65.4173.9000113.4K590 V591 V592 R596K590-L594 WeakPolarHBondContact O-CG 3.28Å; K590-L594 PolarHBondContact O-N 3.31Å; V591-L594 PolarHBondContact O-N 2.95Å; V592-L594 PolarHBondContact O-N 3.05Å; L594-R596 HydrophobicContact CB-CG 4.11Å; L594-R596 PolarHBondContact O-N 3.49Å; L594-R596 VanDerWaalsContact O-N 3.17Å
595A86.7Confident86.7Confident89 Ų89112.4 Ų112.474%0.73658%0.584SS**THydrogen-bonded Turntrans5234.5179.800000114.7V591 V592 T593V591-A595 PolarHBondContact O-N 2.99Å; V592-A595 WeakPolarHBondContact O-CA 3.39Å; V592-A595 PolarHBondContact O-N 3.41Å; T593-A595 VanDerWaalsContact C-N 3.29Å
596R87.2Confident86.8Confident109 Ų109111.1 Ų111.141%0.41159%0.589SS.*  trans-77.7147.8179.2-68.4-178.4177.6-1605.2111.2V591 L594 G598 D601V591-R596 HydrophobicContact CG1-CB 3.75Å; V591-R596 PolarHBondContact O-N 3.42Å; V591-R596 VanDerWaalsContact O-N 3.12Å; L594-R596 HydrophobicContact CB-CG 4.11Å; L594-R596 PolarHBondContact O-N 3.49Å; L594-R596 VanDerWaalsContact O-N 3.17Å; R596-G598 PolarHBondContact O-N 3.15Å; R596-D601 HydrophobicContact CB-CB 4.28Å; R596-D601 WeakPolarHBondContact CD-O 3.27Å; R596-D601 PolarHBondContact NH1-O 3.28Å
597K86.6Confident86.7Confident205 Ų205113.4 Ų113.489%0.89160%0.601SS**SBendtrans-66.5-19-179.1-66180-178.8177.50113.8D601K597-D601 HydrophobicContact CB-CB 4.27Å; K597-D601 PolarHBondContact N-OD2 3.19Å; K597-D601 VanDerWaalsContact N-OD2 3.08Å
598G85.9Confident86.8Confident28 Ų28118 Ų11829%0.28961%0.608SS.*SBendtrans163.9-175.4178.900000110.8R596 G600 D601R596-G598 PolarHBondContact O-N 3.15Å; G598-G600 PolarHBondContact O-N 3.2Å; G598-D601 WeakPolarHBondContact O-CB 3.37Å; G598-D601 PolarHBondContact O-N 3.11Å
599E85.9Confident87Confident147 Ų147115.4 Ų115.469%0.68760%0.599SS**THydrogen-bonded Turntrans-63.9-22.4179.1-65.6176-175.300113.1D601E599-D601 VanDerWaalsContact C-N 3.29Å; E599-D601 PolarHBondContact O-N 3.35Å
600G85.8Confident87.2Confident71 Ų71115.3 Ų115.373%0.73260%0.603SS**THydrogen-bonded Turntrans-73.3-15.9174.100000114.6G598 R602G598-G600 PolarHBondContact O-N 3.2Å; G600-R602 PolarHBondContact O-N 3.28Å
601D87.9Confident87.4Confident49 Ų49114.4 Ų114.426%0.26260%0.601SS.*  trans-87.592.8-177.4-171.69000111R596 K597 G598 E599R596-D601 HydrophobicContact CB-CB 4.28Å; R596-D601 WeakPolarHBondContact CD-O 3.27Å; R596-D601 PolarHBondContact NH1-O 3.28Å; K597-D601 HydrophobicContact CB-CB 4.27Å; K597-D601 PolarHBondContact N-OD2 3.19Å; K597-D601 VanDerWaalsContact N-OD2 3.08Å; G598-D601 WeakPolarHBondContact O-CB 3.37Å; G598-D601 PolarHBondContact O-N 3.11Å; E599-D601 VanDerWaalsContact C-N 3.29Å; E599-D601 PolarHBondContact O-N 3.35Å
602R87.8Confident87.5Confident196 Ų196117.4 Ų117.474%0.7462%0.615SS**  trans-117.321.4-178.9-64.4-179.6-76.4178-3.6112.3G600 I604G600-R602 PolarHBondContact O-N 3.28Å; R602-I604 PolarHBondContact O-N 3.42Å
603H88.4Confident87.6Confident143 Ų143118.8 Ų118.866%0.66261%0.612SS**  trans-63.3122.1178.4178.4-95.2000110.4P605H603-P605 VanDerWaalsContact O-CD 3.29Å; H603-P605 WeakPolarHBondContact O-CD 3.35Å
604I87.7Confident87.6Confident147 Ų147116.6 Ų116.675%0.75460%0.602SS**  trans-95.3104.8175.6-58.4175.5000107.1R602 T606R602-I604 PolarHBondContact O-N 3.42Å; I604-T606 PolarHBondContact O-N 2.97Å
605P86.6Confident87.5Confident73 Ų73114.5 Ų114.547%0.47461%0.608SS.*  trans-64.6135.4175.127.7-33.2000109.5H603 L607H603-P605 VanDerWaalsContact O-CD 3.29Å; H603-P605 WeakPolarHBondContact O-CD 3.35Å; P605-L607 VanDerWaalsContact C-N 3.29Å; P605-L607 HydrophobicContact CB-CD2 4.46Å; P605-L607 HydrophobicContact CG-CD2 4.09Å; P605-L607 PolarHBondContact O-N 3.39Å
606T90.1Very high87.3Confident115 Ų115120.1 Ų120.171%0.70662%0.616SS**  trans-71.388.2169.1380000108.7I604 K608 P609I604-T606 PolarHBondContact O-N 2.97Å; T606-K608 PolarHBondContact O-N 2.95Å; T606-P609 WeakPolarHBondContact O-CD 3.49Å
607L86.5Confident87.1Confident145 Ų145122.4 Ų122.476%0.75962%0.624SS**SBendtrans-60.4-29.4-177.6-64.3177.9000113P605P605-L607 VanDerWaalsContact C-N 3.29Å; P605-L607 HydrophobicContact CB-CD2 4.46Å; P605-L607 HydrophobicContact CG-CD2 4.09Å; P605-L607 PolarHBondContact O-N 3.39Å
608K88.1Confident86.9Confident166 Ų166115.6 Ų115.672%0.72261%0.612SS**SBendtrans-126.373.7178.5-67.3-174.3177.6-179.60111.3T606 K610 F613T606-K608 PolarHBondContact O-N 2.95Å; K608-K610 PolarHBondContact O-N 3.42Å; K608-F613 VanDerWaalsContact CA-CE2 3.48Å; K608-F613 HydrophobicContact CB-CD2 3.77Å; K608-F613 HydrophobicContact CB-CE2 3.91Å; K608-F613 HydrophobicContact CB-CG 4.42Å; K608-F613 HydrophobicContact CG-CD2 4.15Å; K608-F613 HydrophobicContact CG-CE2 3.91Å; K608-F613 HydrophobicContact CG-CZ 4.16Å
609P90.8Very high86.8Confident28 Ų28121.8 Ų121.818%0.18265%0.645CS.*  trans-68131178.830.3-33.1000109.5T606 H611 L612 F613T606-P609 WeakPolarHBondContact O-CD 3.49Å; P609-H611 VanDerWaalsContact C-N 3.26Å; P609-H611 PolarHBondContact O-N 3.49Å; P609-H611 VanDerWaalsContact O-N 3.14Å; P609-L612 HydrophobicContact CG-CB 4.03Å; P609-L612 HydrophobicContact CG-CD1 3.41Å; P609-L612 VanDerWaalsContact CG-CD1 3.41Å; P609-L612 HydrophobicContact CG-CG 3.67Å; P609-L612 PolarHBondContact O-N 3.4Å; P609-F613 WeakPolarHBondContact O-CD2 3.43Å; P609-F613 PolarHBondContact O-N 3.01Å
610K91.2Very high86.7Confident166 Ų166117.6 Ų117.672%0.72264%0.641SS**Hα-helixtrans-53.3-39.2-170.9-174.8179177.3-178.40113.4K608 L612 F613 S614K608-K610 PolarHBondContact O-N 3.42Å; K610-L612 PolarHBondContact O-N 3.4Å; K610-F613 PolarHBondContact O-N 3.1Å; K610-F613 VanDerWaalsContact O-N 3.16Å; K610-S614 WeakPolarHBondContact O-CB 3.43Å; K610-S614 PolarHBondContact O-N 3.06Å
611H89.6Confident86.6Confident149 Ų149124.7 Ų124.769%0.6965%0.652SS**Hα-helixtrans-66.9-19.2179.668.1-93.3000113.8P609P609-H611 VanDerWaalsContact C-N 3.26Å; P609-H611 PolarHBondContact O-N 3.49Å; P609-H611 VanDerWaalsContact O-N 3.14Å
612L86.8Confident86.4Confident101 Ų101125.3 Ų125.353%0.52966%0.657SS.*Hα-helixtrans-87.6-28.3172.6-64.3-175.2000112.8P609 K610P609-L612 HydrophobicContact CG-CB 4.03Å; P609-L612 HydrophobicContact CG-CD1 3.41Å; P609-L612 VanDerWaalsContact CG-CD1 3.41Å; P609-L612 HydrophobicContact CG-CG 3.67Å; P609-L612 PolarHBondContact O-N 3.4Å; K610-L612 PolarHBondContact O-N 3.4Å
613F87.2Confident86.2Confident136 Ų136123.7 Ų123.760%0.59666%0.663SS**Hα-helixtrans-113.7-3-169.9-69.4-79.6000114.8K608 P609 K610K608-F613 VanDerWaalsContact CA-CE2 3.48Å; K608-F613 HydrophobicContact CB-CD2 3.77Å; K608-F613 HydrophobicContact CB-CE2 3.91Å; K608-F613 HydrophobicContact CB-CG 4.42Å; K608-F613 HydrophobicContact CG-CD2 4.15Å; K608-F613 HydrophobicContact CG-CE2 3.91Å; K608-F613 HydrophobicContact CG-CZ 4.16Å; P609-F613 WeakPolarHBondContact O-CD2 3.43Å; P609-F613 PolarHBondContact O-N 3.01Å; K610-F613 PolarHBondContact O-N 3.1Å; K610-F613 VanDerWaalsContact O-N 3.16Å
614S87.2Confident86Confident70 Ų70124.5 Ų124.549%0.4966%0.66SS.*SBendtrans-116.9141.5-179.8-175.60000110.7K610K610-S614 WeakPolarHBondContact O-CB 3.43Å; K610-S614 PolarHBondContact O-N 3.06Å
615G84.5Confident85.8Confident71 Ų71132 Ų13273%0.73268%0.679SS**SBendtrans88.6165-178.600000113.4
616K81.8Confident85.8Confident208 Ų208134.9 Ų134.990%0.90469%0.689SS**  trans-123.8138.8172-67.2-177.9-180178.50107.6G618K616-G618 PolarHBondContact O-N 2.99Å
617R82Confident85.5Confident157 Ų157135.9 Ų135.959%0.59269%0.688SS**  trans-66.4116.1173-70.1179.495.6167.29.1108.7
618G82.8Confident85.5Confident61 Ų61135.4 Ų135.463%0.62969%0.685SS**  trans-84178.5170.500000112.4K616 G620K616-G618 PolarHBondContact O-N 2.99Å; G618-G620 PolarHBondContact O-N 3.11Å
619T84.4Confident85.3Confident159 Ų159133.6 Ų133.698%0.97568%0.682SS**SBendtrans-77.892.2167.946.80000109.1
620G84.3Confident85Confident59 Ų59140.3 Ų140.361%0.60871%0.714SS**SBendtrans166.7-154.2-176.600000113.5G618G618-G620 PolarHBondContact O-N 3.11Å
621K83.6Confident84.6Confident220 Ų220138.5 Ų138.596%0.95771%0.713SS**  trans-60.1140.3174.3-72.7-175.9179.81780110.6
622T83.7Confident84.2Confident62 Ų62137.8 Ų137.838%0.3872%0.715SS.*  trans-111.1145.4-177.455.70000111.5R624T622-R624 PolarHBondContact O-N 3.11Å; T622-R624 VanDerWaalsContact O-N 3.12Å; T622-R624 PolarHBondContact OG1-O 3.14Å
623D83.9Confident84Confident162 Ų162140.6 Ų140.687%0.86673%0.729SS**SBendtrans-70.2-5.8-177.4-56.8-37.6000114.5
624R83.5Confident83.7Confident159 Ų159141 Ų14160%0.674%0.74SS**  trans-142.4151.1176.358-177.8176.5170.2-0.7109T622T622-R624 PolarHBondContact O-N 3.11Å; T622-R624 VanDerWaalsContact O-N 3.12Å; T622-R624 PolarHBondContact OG1-O 3.14Å
625R83.3Confident83.4Confident304 Ų304147.5 Ų147.5100%1.14776%0.763SS**  trans-61.60175.5-170173.4178.7177.7-0.5111.6

Retrieved 625 of 625 residues in 313.7 ms (Link to these results)

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