A0A3Q0KU35_SCHMA Loading...

GPI mannosyltransferase 2

Mannosyltransferase involved in glycosylphosphatidylinositol-anchor biosynthesis.

AlphaFold DB , UniProt , Accession A0A3Q0KU35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 516 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
1M48.8Very low80.9Confident122 Ų12269.6 Ų69.660%0.60137%0.368SS*.  0-39.70-142.3171.3-17900112.7R136 F183 I186M1-R136 PolarHBondContact O-NH1 3Å; M1-F183 HydrophobicContact CE-CD1 3.84Å; M1-F183 HydrophobicContact CE-CE1 3.32Å; M1-F183 HydrophobicContact CE-CZ 4.32Å; M1-F183 HydrophobicContact SD-CE1 4.49Å; M1-I186 HydrophobicContact CE-CD1 4.25Å; M1-I186 HydrophobicContact CE-CG2 4.32Å
2F61.8Low81.9Confident192 Ų19268.1 Ų68.184%0.84236%0.359SS*.  trans-100-7.1179.9-64.6-73.6000116.2L4F2-L4 PolarHBondContact O-N 3.44Å
3G79.1Confident82.6Confident59 Ų5969.2 Ų69.261%0.60836%0.359SS*.PPolyproline II helixtrans-66.8134.3171.300000110.4R136G3-R136 PolarHBondContact O-NH2 3.37Å
4L85.3Confident83.3Confident75 Ų7564.3 Ų64.339%0.39333%0.334SS..PPolyproline II helixtrans-85.2129.9169-65.7171.5000108.8F2 E8 I9 L12 V132F2-L4 PolarHBondContact O-N 3.44Å; L4-E8 VanDerWaalsContact CA-OE2 3.28Å; L4-E8 WeakPolarHBondContact CA-OE2 3.35Å; L4-E8 HydrophobicContact CB-CB 4.2Å; L4-E8 HydrophobicContact CD2-CB 4Å; L4-I9 HydrophobicContact CB-CD1 4.29Å; L4-I9 HydrophobicContact CB-CG1 3.64Å; L4-I9 HydrophobicContact CD1-CG1 4.27Å; L4-L12 HydrophobicContact CD1-CD2 4.01Å; L4-V132 HydrophobicContact CD2-CG1 3.96Å; L4-V132 HydrophobicContact CD2-CG2 4.28Å
5T87.1Confident84.1Confident70 Ų7060 Ų6043%0.42931%0.312SS..PPolyproline II helixtrans-68.6162.317068.90000110.4V7 E8 I9T5-V7 PolarHBondContact O-N 2.84Å; T5-E8 PolarHBondContact N-OE2 3.38Å; T5-E8 WeakPolarHBondContact O-CB 3.36Å; T5-E8 PolarHBondContact O-N 3.31Å; T5-E8 VanDerWaalsContact OG1-CG 3.26Å; T5-E8 WeakPolarHBondContact OG1-CG 3.24Å; T5-E8 PolarHBondContact OG1-N 3.28Å; T5-I9 WeakPolarHBondContact O-CG1 3.26Å; T5-I9 PolarHBondContact O-N 3.17Å
6K84.5Confident84.8Confident150 Ų15062.9 Ų62.965%0.65232%0.321SS*.Hα-helixtrans-55-38.1176-68.2-174.1179.6-177.50112.4I9 S10K6-I9 PolarHBondContact O-N 3.07Å; K6-S10 PolarHBondContact O-N 3.02Å; K6-S10 VanDerWaalsContact O-N 3.11Å
7V86.8Confident85.3Confident18 Ų1860.5 Ų60.511%0.10931%0.31CS..Hα-helixtrans-66.1-42.2176.8179.80000110.9T5 S10 L11 Y135 V145 F149T5-V7 PolarHBondContact O-N 2.84Å; V7-S10 WeakPolarHBondContact O-CB 3.42Å; V7-S10 PolarHBondContact O-N 3.06Å; V7-L11 WeakPolarHBondContact O-CB 3.16Å; V7-L11 PolarHBondContact O-N 2.98Å; V7-Y135 HydrophobicContact CG1-CE2 4.04Å; V7-V145 HydrophobicContact CG1-CG1 4.5Å; V7-F149 HydrophobicContact CG1-CD2 3.81Å; V7-F149 HydrophobicContact CG1-CE2 4.33Å
8E91Very high85.9Confident8 Ų858.1 Ų58.14%0.03730%0.298CS..Hα-helixtrans-66.6-38.6177.9-70.5169.9161.800112.4L4 T5 L11 L12 V132 Y135 R136L4-E8 VanDerWaalsContact CA-OE2 3.28Å; L4-E8 WeakPolarHBondContact CA-OE2 3.35Å; L4-E8 HydrophobicContact CB-CB 4.2Å; L4-E8 HydrophobicContact CD2-CB 4Å; T5-E8 PolarHBondContact N-OE2 3.38Å; T5-E8 WeakPolarHBondContact O-CB 3.36Å; T5-E8 PolarHBondContact O-N 3.31Å; T5-E8 VanDerWaalsContact OG1-CG 3.26Å; T5-E8 WeakPolarHBondContact OG1-CG 3.24Å; T5-E8 PolarHBondContact OG1-N 3.28Å; E8-L11 PolarHBondContact O-N 2.76Å; E8-L12 VanDerWaalsContact O-CB 3.26Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 PolarHBondContact O-N 3.43Å; E8-V132 HydrophobicContact CG-CG1 4.46Å; E8-Y135 HydrophobicContact CG-CD1 3.64Å; E8-Y135 HydrophobicContact CG-CE1 3.56Å; E8-R136 WeakPolarHBondContact OE1-CG 3.41Å; E8-R136 IonicContact OE1-CZ 3.68Å; E8-R136 IonicContact OE1-NE 3.16Å; E8-R136 PolarHBondContact OE1-NE 2.62Å; E8-R136 IonicContact OE1-NH2 2.89Å; E8-R136 PolarHBondContact OE1-NH2 3.22Å; E8-R136 IonicContact OE2-CZ 3.75Å; E8-R136 IonicContact OE2-NE 3.72Å; E8-R136 IonicContact OE2-NH2 2.87Å; E8-R136 PolarHBondContact OE2-NH2 3.3Å
9I89.3Confident86.4Confident71 Ų7155.2 Ų55.236%0.36428%0.283SS..Hα-helixtrans-62.6-45.2175.3-65.3170.5000110.4L4 T5 K6 L12 K13L4-I9 HydrophobicContact CB-CD1 4.29Å; L4-I9 HydrophobicContact CB-CG1 3.64Å; L4-I9 HydrophobicContact CD1-CG1 4.27Å; T5-I9 WeakPolarHBondContact O-CG1 3.26Å; T5-I9 PolarHBondContact O-N 3.17Å; K6-I9 PolarHBondContact O-N 3.07Å; I9-L12 PolarHBondContact O-N 3.08Å; I9-K13 HydrophobicContact CG2-CD 4.47Å; I9-K13 WeakPolarHBondContact O-CG 3.42Å; I9-K13 PolarHBondContact O-N 3.37Å
10S85.9Confident86.9Confident1 Ų153.9 Ų53.91%0.00728%0.279CS..Hα-helixtrans-58.6-50.2175.1177.20000111.9K6 V7 L12 K13 C14 M454K6-S10 PolarHBondContact O-N 3.02Å; K6-S10 VanDerWaalsContact O-N 3.11Å; V7-S10 WeakPolarHBondContact O-CB 3.42Å; V7-S10 PolarHBondContact O-N 3.06Å; S10-L12 VanDerWaalsContact C-N 3.28Å; S10-L12 PolarHBondContact O-N 3.18Å; S10-K13 PolarHBondContact O-N 3.14Å; S10-K13 VanDerWaalsContact O-N 3.16Å; S10-C14 PolarHBondContact O-N 3.32Å; S10-C14 PolarHBondContact O-SG 3.23Å; S10-M454 WeakPolarHBondContact CB-SD 3.49Å; S10-M454 WeakPolarHBondContact OG-CG 3.47Å; S10-M454 PolarHBondContact OG-SD 3.4Å
11L90.7Very high87.3Confident0 Ų054.7 Ų54.70%029%0.286CS..Hα-helixtrans-58.5-44.1-180178.363.5000110.9V7 E8 K13 C14 A15 T131 Y135 F149V7-L11 WeakPolarHBondContact O-CB 3.16Å; V7-L11 PolarHBondContact O-N 2.98Å; E8-L11 PolarHBondContact O-N 2.76Å; L11-K13 VanDerWaalsContact C-N 3.33Å; L11-K13 PolarHBondContact O-N 3.08Å; L11-C14 PolarHBondContact O-N 2.77Å; L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.49Å; L11-T131 HydrophobicContact CD1-CG2 4.14Å; L11-T131 HydrophobicContact CD2-CG2 4.03Å; L11-T131 HydrophobicContact CG-CG2 3.83Å; L11-Y135 HydrophobicContact CD2-CD2 4.11Å; L11-Y135 HydrophobicContact CD2-CG 3.85Å; L11-F149 HydrophobicContact CB-CD2 4.07Å; L11-F149 HydrophobicContact CB-CE2 3.7Å; L11-F149 HydrophobicContact CD1-CD2 4.01Å; L11-F149 HydrophobicContact CD1-CE2 3.9Å; L11-F149 HydrophobicContact CD1-CG 4.4Å; L11-F149 HydrophobicContact CD1-CZ 4.18Å; L11-F149 HydrophobicContact CG-CD2 4.44Å; L11-F149 HydrophobicContact CG-CE2 4.35Å
12L92.7Very high89.6Confident51 Ų5149.3 Ų49.327%0.26726%0.259SS..Hα-helixtrans-61.3-41.9178.2-168.670000111.7L4 E8 I9 S10 A15 F16 L128 V132L4-L12 HydrophobicContact CD1-CD2 4.01Å; E8-L12 VanDerWaalsContact O-CB 3.26Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 PolarHBondContact O-N 3.43Å; I9-L12 PolarHBondContact O-N 3.08Å; S10-L12 VanDerWaalsContact C-N 3.28Å; S10-L12 PolarHBondContact O-N 3.18Å; L12-A15 PolarHBondContact O-N 3.28Å; L12-F16 VanDerWaalsContact O-CB 3.31Å; L12-F16 WeakPolarHBondContact O-CB 3.32Å; L12-F16 PolarHBondContact O-N 3.22Å; L12-L128 HydrophobicContact CD1-CB 3.75Å; L12-L128 HydrophobicContact CD1-CD2 4.18Å; L12-L128 HydrophobicContact CD1-CG 4.42Å; L12-V132 HydrophobicContact CD1-CG2 4Å
13K91.2Very high91.2Very high82 Ų8240.5 Ų40.536%0.35722%0.222SC..Hα-helixtrans-65.9-42.7175.4-71.2178.1177.7-178.60111.8I9 S10 L11 F16 V17 E469 Y473I9-K13 HydrophobicContact CG2-CD 4.47Å; I9-K13 WeakPolarHBondContact O-CG 3.42Å; I9-K13 PolarHBondContact O-N 3.37Å; S10-K13 PolarHBondContact O-N 3.14Å; S10-K13 VanDerWaalsContact O-N 3.16Å; L11-K13 VanDerWaalsContact C-N 3.33Å; L11-K13 PolarHBondContact O-N 3.08Å; K13-F16 WeakPolarHBondContact O-CB 3.39Å; K13-F16 PolarHBondContact O-N 3.21Å; K13-V17 WeakPolarHBondContact O-CG2 3.18Å; K13-V17 PolarHBondContact O-N 3.43Å; K13-E469 IonicContact NZ-OE2 2.82Å; K13-E469 PolarHBondContact NZ-OE2 3.45Å; K13-Y473 HydrophobicContact CB-CD1 4.31Å; K13-Y473 HydrophobicContact CB-CD2 4.24Å; K13-Y473 HydrophobicContact CB-CE1 4.13Å; K13-Y473 HydrophobicContact CB-CE2 4.11Å; K13-Y473 HydrophobicContact CB-CG 4.39Å; K13-Y473 HydrophobicContact CD-CD2 4.38Å; K13-Y473 HydrophobicContact CD-CE1 3.99Å; K13-Y473 HydrophobicContact CD-CE2 3.47Å; K13-Y473 VanDerWaalsContact CD-CE2 3.47Å; K13-Y473 WeakPolarHBondContact CD-OH 3.27Å; K13-Y473 HydrophobicContact CG-CE2 4.41Å; K13-Y473 PolarHBondContact NZ-OH 3.11Å
14C92.1Very high92.1Very high1 Ų142.7 Ų42.71%0.00722%0.219CC..Hα-helixtrans-61.2-45.9175.2-65.30000111.6S10 L11 F16 V17 L18 L153 I477S10-C14 PolarHBondContact O-N 3.32Å; S10-C14 PolarHBondContact O-SG 3.23Å; L11-C14 PolarHBondContact O-N 2.77Å; C14-F16 PolarHBondContact O-N 2.86Å; C14-V17 PolarHBondContact O-N 2.95Å; C14-L18 PolarHBondContact O-N 3.32Å; C14-L153 HydrophobicContact CB-CD1 4.04Å; C14-I477 HydrophobicContact CB-CD1 4.13Å; C14-I477 HydrophobicContact CB-CG1 4Å
15A94.9Very high92.6Very high0 Ų041.1 Ų41.10%021%0.211CC..Hα-helixtrans-63.2-40.6176.900000111.9L11 L12 V17 L18 R19 L128 T131 S156L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 3.28Å; A15-V17 PolarHBondContact O-N 2.61Å; A15-L18 PolarHBondContact O-N 2.99Å; A15-R19 WeakPolarHBondContact O-CB 3.24Å; A15-R19 VanDerWaalsContact O-CG 3.24Å; A15-R19 WeakPolarHBondContact O-CG 3.48Å; A15-R19 PolarHBondContact O-N 3.42Å; A15-L128 HydrophobicContact CB-CD2 3.91Å; A15-T131 HydrophobicContact CB-CG2 3.9Å; A15-S156 WeakPolarHBondContact CB-OG 3.25Å
16F95.5Very high93.1Very high107 Ų10737.8 Ų37.847%0.46919%0.19SC..Hα-helixtrans-58.2-47174.5-178.9-84.4000111.5L12 K13 C14 S20 F124 L128L12-F16 VanDerWaalsContact O-CB 3.31Å; L12-F16 WeakPolarHBondContact O-CB 3.32Å; L12-F16 PolarHBondContact O-N 3.22Å; K13-F16 WeakPolarHBondContact O-CB 3.39Å; K13-F16 PolarHBondContact O-N 3.21Å; C14-F16 PolarHBondContact O-N 2.86Å; F16-S20 VanDerWaalsContact O-CB 3.27Å; F16-S20 WeakPolarHBondContact O-CB 3.46Å; F16-S20 PolarHBondContact O-N 3.44Å; F16-S20 PolarHBondContact O-OG 3.07Å; F16-F124 AromaticContact CD2-CE1 3.6Å; F16-F124 HydrophobicContact CD2-CE1 3.6Å; F16-F124 AromaticContact CD2-CZ 3.76Å; F16-F124 HydrophobicContact CD2-CZ 3.76Å; F16-F124 AromaticContact CE2-CE1 3.55Å; F16-F124 HydrophobicContact CE2-CE1 3.55Å; F16-F124 AromaticContact CE2-CZ 3.74Å; F16-F124 HydrophobicContact CE2-CZ 3.74Å; F16-F124 HydrophobicContact CG-CZ 4.42Å; F16-F124 HydrophobicContact CZ-CZ 4.39Å; F16-L128 HydrophobicContact CB-CD2 4.22Å; F16-L128 HydrophobicContact CD2-CD1 4.09Å
17V94Very high93.6Very high22 Ų2232.5 Ų32.513%0.13317%0.172CC..Hα-helixtrans-61.4-51177.5173.90000110.7K13 C14 A15 R19 S20 V21 L470 L474 I477K13-V17 WeakPolarHBondContact O-CG2 3.18Å; K13-V17 PolarHBondContact O-N 3.43Å; C14-V17 PolarHBondContact O-N 2.95Å; A15-V17 PolarHBondContact O-N 2.61Å; V17-R19 PolarHBondContact O-N 3.27Å; V17-S20 PolarHBondContact O-N 2.92Å; V17-V21 WeakPolarHBondContact O-CG2 3.2Å; V17-V21 PolarHBondContact O-N 3.34Å; V17-L470 HydrophobicContact CG1-CD1 4.47Å; V17-L470 HydrophobicContact CG2-CD1 3.75Å; V17-L474 HydrophobicContact CG1-CD2 3.85Å; V17-I477 HydrophobicContact CB-CD1 4.18Å; V17-I477 HydrophobicContact CG1-CD1 4.13Å
18L95Very high94Very high17 Ų1735.3 Ų35.39%0.08919%0.192CC..Hα-helixtrans-58-48.4179.3-76.6173.6000112.5C14 A15 S20 V21 F22 L153 I477 L481C14-L18 PolarHBondContact O-N 3.32Å; A15-L18 PolarHBondContact O-N 2.99Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.48Å; L18-V21 PolarHBondContact O-N 2.9Å; L18-F22 WeakPolarHBondContact O-CD2 3.24Å; L18-F22 PolarHBondContact O-N 3Å; L18-F22 VanDerWaalsContact O-N 3.08Å; L18-L153 HydrophobicContact CD1-CD1 3.47Å; L18-L153 VanDerWaalsContact CD1-CD1 3.47Å; L18-L153 HydrophobicContact CD1-CG 4.15Å; L18-I477 HydrophobicContact CD1-CG2 4.49Å; L18-I477 HydrophobicContact CD2-CD1 4.47Å; L18-I477 HydrophobicContact CD2-CG2 3.77Å; L18-I477 HydrophobicContact CG-CD1 4.06Å; L18-I477 HydrophobicContact CG-CG1 4.47Å; L18-I477 HydrophobicContact CG-CG2 4.28Å; L18-L481 HydrophobicContact CD1-CD1 4.05Å; L18-L481 HydrophobicContact CD2-CD1 4.26Å
19R95.8Very high94.1Very high2 Ų235.6 Ų35.61%0.00819%0.194CC..Hα-helixtrans-66-35.5-179.9-68.3-63-172.7-176.3-2.4112.2A15 V17 F22 A23 F124 F155 S156 T161A15-R19 WeakPolarHBondContact O-CB 3.24Å; A15-R19 VanDerWaalsContact O-CG 3.24Å; A15-R19 WeakPolarHBondContact O-CG 3.48Å; A15-R19 PolarHBondContact O-N 3.42Å; V17-R19 PolarHBondContact O-N 3.27Å; R19-F22 PolarHBondContact O-N 3.02Å; R19-A23 WeakPolarHBondContact O-CB 3.31Å; R19-A23 PolarHBondContact O-N 3.33Å; R19-F124 HydrophobicContact CB-CD2 4.39Å; R19-F124 HydrophobicContact CB-CE2 3.82Å; R19-F124 HydrophobicContact CB-CZ 4.36Å; R19-F155 PolarHBondContact NH2-O 2.97Å; R19-S156 PolarHBondContact NE-O 2.98Å; R19-T161 VanDerWaalsContact NH1-CG2 3.32Å; R19-T161 PolarHBondContact NH1-OG1 3.45Å
20S96.1Very high94.3Very high29 Ų2932.3 Ų32.320%0.20318%0.178CC..Hα-helixtrans-65.2-41.8174.4-580000111.3F16 V17 L18 A23 I24F16-S20 VanDerWaalsContact O-CB 3.27Å; F16-S20 WeakPolarHBondContact O-CB 3.46Å; F16-S20 PolarHBondContact O-N 3.44Å; F16-S20 PolarHBondContact O-OG 3.07Å; V17-S20 PolarHBondContact O-N 2.92Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.48Å; S20-A23 PolarHBondContact O-N 3.35Å; S20-I24 WeakPolarHBondContact O-CD1 3.39Å; S20-I24 VanDerWaalsContact O-CG1 3.24Å; S20-I24 WeakPolarHBondContact O-CG1 3.1Å; S20-I24 PolarHBondContact O-N 3.41Å
21V95.5Very high94.5Very high71 Ų7138.4 Ų38.443%0.4321%0.209SC..Hα-helixtrans-59.8-48.6175.6170.50000111V17 L18 A23 I24 I25V17-V21 WeakPolarHBondContact O-CG2 3.2Å; V17-V21 PolarHBondContact O-N 3.34Å; L18-V21 PolarHBondContact O-N 2.9Å; V21-A23 PolarHBondContact O-N 3.17Å; V21-I24 PolarHBondContact O-N 3.38Å; V21-I25 HydrophobicContact CG1-CD1 4.02Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.16Å
22F96.8Very high94.6Very high9 Ų943 Ų434%0.03923%0.234CC..Hα-helixtrans-65.3-37177.8-69.8-62.6000113L18 R19 I24 I25 I26 C157 T161 A502 C506L18-F22 WeakPolarHBondContact O-CD2 3.24Å; L18-F22 PolarHBondContact O-N 3Å; L18-F22 VanDerWaalsContact O-N 3.08Å; R19-F22 PolarHBondContact O-N 3.02Å; F22-I24 VanDerWaalsContact C-N 3.34Å; F22-I25 HydrophobicContact CD1-CD1 4.21Å; F22-I25 PolarHBondContact O-N 3.49Å; F22-I26 WeakPolarHBondContact O-CG1 3.27Å; F22-I26 PolarHBondContact O-N 3.44Å; F22-C157 HydrophobicContact CE2-CB 3.79Å; F22-C157 HydrophobicContact CZ-CB 4.03Å; F22-T161 HydrophobicContact CB-CG2 3.98Å; F22-T161 HydrophobicContact CD1-CG2 4.25Å; F22-T161 HydrophobicContact CD2-CG2 3.74Å; F22-T161 HydrophobicContact CE2-CG2 4.27Å; F22-T161 HydrophobicContact CG-CG2 3.73Å; F22-A502 HydrophobicContact CE1-CB 3.68Å; F22-A502 HydrophobicContact CZ-CB 3.7Å; F22-C506 HydrophobicContact CD1-CB 4.48Å
23A96.8Very high94.5Very high8 Ų846.1 Ų46.17%0.06626%0.257CS..Hα-helixtrans-62-42.4173.900000111.7R19 S20 V21 I26 S27 F62 F120R19-A23 WeakPolarHBondContact O-CB 3.31Å; R19-A23 PolarHBondContact O-N 3.33Å; S20-A23 PolarHBondContact O-N 3.35Å; V21-A23 PolarHBondContact O-N 3.17Å; A23-I26 PolarHBondContact O-N 3.11Å; A23-S27 PolarHBondContact O-N 3.27Å; A23-S27 PolarHBondContact O-OG 3.44Å; A23-F62 HydrophobicContact CB-CE1 4.31Å; A23-F62 HydrophobicContact CB-CZ 4.14Å; A23-F62 WeakPolarHBondContact O-CZ 3.34Å; A23-F120 HydrophobicContact CB-CE2 4.05Å; A23-F120 HydrophobicContact CB-CZ 4.23Å
24I96.3Very high94.4Very high105 Ų10546.2 Ų46.254%0.53826%0.261SS..Hα-helixtrans-62.6-44.4175.1-68.4163.2000110.6S20 V21 F22 I26 S27 C28S20-I24 WeakPolarHBondContact O-CD1 3.39Å; S20-I24 VanDerWaalsContact O-CG1 3.24Å; S20-I24 WeakPolarHBondContact O-CG1 3.1Å; S20-I24 PolarHBondContact O-N 3.41Å; V21-I24 PolarHBondContact O-N 3.38Å; F22-I24 VanDerWaalsContact C-N 3.34Å; I24-I26 VanDerWaalsContact C-N 3.31Å; I24-I26 PolarHBondContact O-N 3.15Å; I24-S27 PolarHBondContact O-N 2.72Å; I24-C28 WeakPolarHBondContact O-CB 3.48Å; I24-C28 PolarHBondContact O-N 3Å; I24-C28 PolarHBondContact O-SG 3.44Å; I24-C28 VanDerWaalsContact O-SG 3.35Å
25I96.6Very high94.3Very high42 Ų4250.4 Ų50.422%0.21528%0.28CS..Hα-helixtrans-57.6-45.7176.5-67.6166.8000110.6V21 F22 S29 C506 I507V21-I25 HydrophobicContact CG1-CD1 4.02Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.16Å; F22-I25 HydrophobicContact CD1-CD1 4.21Å; F22-I25 PolarHBondContact O-N 3.49Å; I25-S29 WeakPolarHBondContact O-CB 3.16Å; I25-S29 PolarHBondContact O-N 3.42Å; I25-S29 PolarHBondContact O-OG 3.34Å; I25-C506 HydrophobicContact CB-CB 4.37Å; I25-C506 HydrophobicContact CG2-CB 3.77Å; I25-I507 HydrophobicContact CG2-CG1 3.8Å
26I96.6Very high93.9Very high0 Ų054.9 Ų54.90%032%0.317CS..Hα-helixtrans-61.7-50.3178.1-71.1164.7000111F22 A23 I24 C28 S29 S30 F62 V162 C506 P510F22-I26 WeakPolarHBondContact O-CG1 3.27Å; F22-I26 PolarHBondContact O-N 3.44Å; A23-I26 PolarHBondContact O-N 3.11Å; I24-I26 VanDerWaalsContact C-N 3.31Å; I24-I26 PolarHBondContact O-N 3.15Å; I26-C28 PolarHBondContact O-N 3.16Å; I26-S29 PolarHBondContact O-N 3.31Å; I26-S30 WeakPolarHBondContact O-CB 3.35Å; I26-S30 PolarHBondContact O-N 2.89Å; I26-F62 HydrophobicContact CB-CD1 4.39Å; I26-F62 HydrophobicContact CB-CE1 3.78Å; I26-F62 HydrophobicContact CB-CZ 3.99Å; I26-F62 HydrophobicContact CD1-CD1 4.13Å; I26-F62 HydrophobicContact CD1-CE1 3.77Å; I26-F62 HydrophobicContact CG1-CE1 4.4Å; I26-F62 HydrophobicContact CG2-CD1 3.65Å; I26-F62 HydrophobicContact CG2-CD2 4.21Å; I26-F62 HydrophobicContact CG2-CE1 3.48Å; I26-F62 VanDerWaalsContact CG2-CE1 3.48Å; I26-F62 HydrophobicContact CG2-CE2 4.07Å; I26-F62 HydrophobicContact CG2-CG 4.02Å; I26-F62 HydrophobicContact CG2-CZ 3.7Å; I26-V162 HydrophobicContact CD1-CG2 4.12Å; I26-V162 HydrophobicContact CG1-CG2 4.47Å; I26-C506 HydrophobicContact CD1-CB 4.45Å; I26-C506 HydrophobicContact CG1-CB 3.83Å; I26-P510 HydrophobicContact CB-CG 4.19Å; I26-P510 HydrophobicContact CG1-CG 4.18Å; I26-P510 HydrophobicContact CG2-CB 4.35Å; I26-P510 HydrophobicContact CG2-CG 3.76Å
27S95.4Very high93.3Very high39 Ų3950.5 Ų50.527%0.27330%0.301SS..Hα-helixtrans-59.9-46.7179.6-70.70000111.9A23 I24 S30 F62A23-S27 PolarHBondContact O-N 3.27Å; A23-S27 PolarHBondContact O-OG 3.44Å; I24-S27 PolarHBondContact O-N 2.72Å; S27-S30 PolarHBondContact O-N 3.02Å; S27-S30 PolarHBondContact O-OG 3.49Å; S27-F62 WeakPolarHBondContact OG-CE2 3.32Å
28C95.2Very high92.8Very high77 Ų7757.7 Ų57.752%0.5234%0.339SS..Hα-helixtrans-65.4-40.6177.9-69.40000112.1I24 I26 S30 L31I24-C28 WeakPolarHBondContact O-CB 3.48Å; I24-C28 PolarHBondContact O-N 3Å; I24-C28 PolarHBondContact O-SG 3.44Å; I24-C28 VanDerWaalsContact O-SG 3.35Å; I26-C28 PolarHBondContact O-N 3.16Å; C28-S30 VanDerWaalsContact C-N 3.29Å; C28-S30 PolarHBondContact O-N 2.99Å; C28-L31 WeakPolarHBondContact O-CB 3.2Å; C28-L31 PolarHBondContact O-N 3.29Å
29S94.5Very high92.3Very high13 Ų1357.9 Ų57.99%0.09134%0.343CS..Hα-helixtrans-67.9-31.1179.9-570000111.9I25 I26 L31 L32 N511I25-S29 WeakPolarHBondContact O-CB 3.16Å; I25-S29 PolarHBondContact O-N 3.42Å; I25-S29 PolarHBondContact O-OG 3.34Å; I26-S29 PolarHBondContact O-N 3.31Å; S29-L31 PolarHBondContact O-N 2.98Å; S29-L31 VanDerWaalsContact O-N 3.13Å; S29-L32 VanDerWaalsContact O-CB 3.27Å; S29-L32 WeakPolarHBondContact O-CB 3.46Å; S29-L32 WeakPolarHBondContact O-CG 3.42Å; S29-L32 PolarHBondContact O-N 3.43Å; S29-L32 VanDerWaalsContact O-N 3.07Å; S29-N511 PolarHBondContact O-ND2 3.03Å; S29-N511 PolarHBondContact O-OD1 3.15Å
30S92.7Very high92Very high3 Ų358.5 Ų58.52%0.02135%0.346CS..THydrogen-bonded Turntrans-69.6-2.1177.775.80000115.4I26 S27 C28 L32 Q60I26-S30 WeakPolarHBondContact O-CB 3.35Å; I26-S30 PolarHBondContact O-N 2.89Å; S27-S30 PolarHBondContact O-N 3.02Å; S27-S30 PolarHBondContact O-OG 3.49Å; C28-S30 VanDerWaalsContact C-N 3.29Å; C28-S30 PolarHBondContact O-N 2.99Å; S30-L32 VanDerWaalsContact C-N 3.31Å; S30-Q60 PolarHBondContact O-NE2 3.35Å
31L91.1Very high91.7Very high128 Ų12861.5 Ų61.567%0.6736%0.355SS*.THydrogen-bonded Turntrans-83.8-11.7170.9-59.5175.8000112.1C28 S29C28-L31 WeakPolarHBondContact O-CB 3.2Å; C28-L31 PolarHBondContact O-N 3.29Å; S29-L31 PolarHBondContact O-N 2.98Å; S29-L31 VanDerWaalsContact O-N 3.13Å
32L91.9Very high91.5Very high98 Ų9859.1 Ų59.151%0.51334%0.341SS..SBendtrans-75.3157.8174.2-61.1175.7000110.3S29 S30 N511S29-L32 VanDerWaalsContact O-CB 3.27Å; S29-L32 WeakPolarHBondContact O-CB 3.46Å; S29-L32 WeakPolarHBondContact O-CG 3.42Å; S29-L32 PolarHBondContact O-N 3.43Å; S29-L32 VanDerWaalsContact O-N 3.07Å; S30-L32 VanDerWaalsContact C-N 3.31Å; L32-N511 PolarHBondContact O-OD1 2.95Å
33P89.8Confident91.1Very high116 Ų11661.3 Ų61.375%0.75336%0.356SS*.PPolyproline II helixtrans-65.5140.5177.726.4-34.6000111.7
34D90.6Very high90.7Very high83 Ų8368.3 Ų68.344%0.44439%0.387SS..PPolyproline II helixtrans-67.5136.8175.5-81.8-26.2000111.4K64 N511 F512D34-K64 IonicContact OD1-NZ 2.75Å; D34-K64 PolarHBondContact OD1-NZ 2.99Å; D34-K64 IonicContact OD2-NZ 2.79Å; D34-K64 PolarHBondContact OD2-NZ 3.25Å; D34-N511 WeakPolarHBondContact OD1-CA 3.22Å; D34-F512 HydrophobicContact CB-CD2 3.97Å
35H89.6Confident90.2Very high89 Ų8967.1 Ų67.141%0.41238%0.379SS..PPolyproline II helixtrans-67.9144.6166.7-178.866.1000110.8A37 N511 F512 L513H35-A37 PolarHBondContact O-N 3.27Å; H35-N511 WeakPolarHBondContact CB-O 3.11Å; H35-N511 PolarHBondContact N-O 3.42Å; H35-F512 HydrophobicContact CB-CB 4.4Å; H35-F512 PolarHBondContact CD2-O 2.93Å; H35-L513 HydrophobicContact CB-CD2 3.83Å; H35-L513 HydrophobicContact CB-CG 4.14Å
36A85.2Confident89.7Confident94 Ų9470.6 Ų70.678%0.77741%0.405SS*.  trans-74.376.5175.900000111.1
37A83.7Confident89.3Confident15 Ų1575.9 Ų75.912%0.12443%0.426CS..  trans-88.9142.2175.100000112.4H35 A39 K41 W65 F512H35-A37 PolarHBondContact O-N 3.27Å; A37-A39 VanDerWaalsContact C-N 3.27Å; A37-A39 HydrophobicContact CB-CB 4.4Å; A37-A39 PolarHBondContact O-N 3.06Å; A37-A39 VanDerWaalsContact O-N 3.09Å; A37-K41 PolarHBondContact O-NZ 2.94Å; A37-W65 HydrophobicContact CB-CH2 3.87Å; A37-W65 HydrophobicContact CB-CZ2 4.32Å; A37-W65 HydrophobicContact CB-CZ3 4.31Å; A37-F512 HydrophobicContact CB-CB 3.84Å; A37-F512 HydrophobicContact CB-CD1 4.31Å; A37-F512 HydrophobicContact CB-CG 4.37Å
38D83.2Confident88.9Confident174 Ų17477.3 Ų77.393%0.9344%0.439SS*.  trans-7974.2167.4-171.519.9000109.6
39A85.3Confident88.6Confident20 Ų2075.1 Ų75.117%0.16543%0.43CS..  trans-124157-177.500000110A37 K41 W65 F512A37-A39 VanDerWaalsContact C-N 3.27Å; A37-A39 HydrophobicContact CB-CB 4.4Å; A37-A39 PolarHBondContact O-N 3.06Å; A37-A39 VanDerWaalsContact O-N 3.09Å; A39-K41 WeakPolarHBondContact O-CG 3.27Å; A39-K41 PolarHBondContact O-N 3.45Å; A39-W65 HydrophobicContact CB-CE3 4.08Å; A39-W65 HydrophobicContact CB-CZ3 4.25Å; A39-F512 HydrophobicContact CB-CD1 4.34Å; A39-F512 HydrophobicContact CB-CE1 4.19Å
40F89.2Confident88.4Confident16 Ų1684.9 Ų84.97%0.0747%0.465CS..  trans-56.3113.2174.6178.6-115.5000111.1P42 I68 Y69 F72 F80 Y304 F310F40-P42 HydrophobicContact CD1-CG 4.33Å; F40-P42 HydrophobicContact CE1-CB 4.4Å; F40-P42 HydrophobicContact CE1-CG 3.7Å; F40-P42 HydrophobicContact CE2-CB 4.39Å; F40-P42 HydrophobicContact CE2-CG 4.47Å; F40-P42 HydrophobicContact CZ-CB 3.96Å; F40-P42 HydrophobicContact CZ-CG 3.77Å; F40-I68 HydrophobicContact CD1-CB 4.2Å; F40-I68 HydrophobicContact CD1-CG2 3.65Å; F40-I68 HydrophobicContact CE1-CG2 3.92Å; F40-I68 VanDerWaalsContact O-CD1 3.31Å; F40-I68 WeakPolarHBondContact O-CD1 3.25Å; F40-Y69 HydrophobicContact CB-CD2 4.13Å; F40-Y69 HydrophobicContact CB-CE1 4.22Å; F40-Y69 HydrophobicContact CB-CE2 3.38Å; F40-Y69 VanDerWaalsContact CB-CZ 3.44Å; F40-Y69 WeakPolarHBondContact CB-OH 3.34Å; F40-Y69 AromaticContact CD1-CD1 3.77Å; F40-Y69 HydrophobicContact CD1-CD1 3.77Å; F40-Y69 AromaticContact CD1-CD2 3.9Å; F40-Y69 HydrophobicContact CD1-CD2 3.9Å; F40-Y69 AromaticContact CD1-CE1 3.75Å; F40-Y69 HydrophobicContact CD1-CE1 3.75Å; F40-Y69 AromaticContact CD1-CE2 3.88Å; F40-Y69 HydrophobicContact CD1-CE2 3.88Å; F40-Y69 AromaticContact CD1-CG 3.86Å; F40-Y69 HydrophobicContact CD1-CG 3.86Å; F40-Y69 AromaticContact CD1-CZ 3.82Å; F40-Y69 AromaticContact CD2-CE1 3.98Å; F40-Y69 HydrophobicContact CD2-CE1 3.98Å; F40-Y69 AromaticContact CD2-CZ 3.94Å; F40-Y69 AromaticContact CE1-CD1 3.89Å; F40-Y69 HydrophobicContact CE1-CD1 3.89Å; F40-Y69 HydrophobicContact CE1-CE1 4.05Å; F40-Y69 HydrophobicContact CE1-CG 4.26Å; F40-Y69 HydrophobicContact CE2-CE1 4.27Å; F40-Y69 HydrophobicContact CG-CD1 4.24Å; F40-Y69 HydrophobicContact CG-CD2 4.25Å; F40-Y69 AromaticContact CG-CE1 3.72Å; F40-Y69 HydrophobicContact CG-CE1 3.72Å; F40-Y69 AromaticContact CG-CE2 3.75Å; F40-Y69 HydrophobicContact CG-CE2 3.75Å; F40-Y69 HydrophobicContact CG-CG 4.5Å; F40-Y69 AromaticContact CG-CZ 3.47Å; F40-Y69 VanDerWaalsContact CG-CZ 3.47Å; F40-Y69 HydrophobicContact CZ-CD1 4.43Å; F40-Y69 HydrophobicContact CZ-CE1 4.31Å; F40-F72 HydrophobicContact CE1-CB 3.98Å; F40-F72 HydrophobicContact CE1-CD1 4.36Å; F40-F72 HydrophobicContact CE1-CD2 4.26Å; F40-F72 AromaticContact CE1-CG 3.94Å; F40-F72 HydrophobicContact CE1-CG 3.94Å; F40-F72 HydrophobicContact CZ-CB 4.49Å; F40-F72 HydrophobicContact CZ-CD1 4.13Å; F40-F72 HydrophobicContact CZ-CD2 4.03Å; F40-F72 HydrophobicContact CZ-CE1 4.39Å; F40-F72 HydrophobicContact CZ-CE2 4.29Å; F40-F72 AromaticContact CZ-CG 3.95Å; F40-F72 HydrophobicContact CZ-CG 3.95Å; F40-F72 HydrophobicContact CZ-CZ 4.47Å; F40-F80 AromaticContact CE2-CD2 3.75Å; F40-F80 HydrophobicContact CE2-CD2 3.75Å; F40-F80 AromaticContact CE2-CE2 3.8Å; F40-F80 HydrophobicContact CE2-CE2 3.8Å; F40-F80 AromaticContact CZ-CD2 3.82Å; F40-F80 HydrophobicContact CZ-CD2 3.82Å; F40-F80 AromaticContact CZ-CE2 3.86Å; F40-F80 HydrophobicContact CZ-CE2 3.86Å; F40-Y304 HydrophobicContact CD2-CE1 4.12Å; F40-Y304 AromaticContact CE2-CE1 3.77Å; F40-Y304 HydrophobicContact CE2-CE1 3.77Å; F40-F310 HydrophobicContact CD2-CE2 4.39Å; F40-F310 HydrophobicContact CE2-CE2 4.27Å
41K89.6Confident88.4Confident91 Ų9188.5 Ų88.540%0.39649%0.487SS..  trans-132.275.2-176.6-74.5173.1-178.8169.80109.5A37 A39 Y304A37-K41 PolarHBondContact O-NZ 2.94Å; A39-K41 WeakPolarHBondContact O-CG 3.27Å; A39-K41 PolarHBondContact O-N 3.45Å; K41-Y304 PolarHBondContact N-OH 3.2Å; K41-Y304 WeakPolarHBondContact O-CE2 3.35Å
42P91.2Very high88.4Confident21 Ų2182.4 Ų82.414%0.13646%0.455CS..PPolyproline II helixtrans-64.6150175.929.9-33.9000110.3F40 E44 I68 F72 L301F40-P42 HydrophobicContact CD1-CG 4.33Å; F40-P42 HydrophobicContact CE1-CB 4.4Å; F40-P42 HydrophobicContact CE1-CG 3.7Å; F40-P42 HydrophobicContact CE2-CB 4.39Å; F40-P42 HydrophobicContact CE2-CG 4.47Å; F40-P42 HydrophobicContact CZ-CB 3.96Å; F40-P42 HydrophobicContact CZ-CG 3.77Å; P42-E44 PolarHBondContact O-N 3.36Å; P42-I68 HydrophobicContact CG-CG2 3.89Å; P42-F72 HydrophobicContact CB-CD2 4.09Å; P42-F72 HydrophobicContact CB-CE2 4.15Å; P42-F72 HydrophobicContact CG-CD2 3.95Å; P42-L301 HydrophobicContact CB-CD2 4.02Å
43P89.6Confident88.4Confident56 Ų5682.6 Ų82.636%0.36445%0.452SS..PPolyproline II helixtrans-50.6128.7174.3-27.930.9000112.8P300 L301 Y304P43-P300 HydrophobicContact CB-CB 4.22Å; P43-P300 HydrophobicContact CG-CB 4.3Å; P43-L301 HydrophobicContact CG-CD2 4.41Å; P43-Y304 HydrophobicContact CG-CD2 4.32Å; P43-Y304 HydrophobicContact CG-CG 4.47Å
44E86.9Confident88.6Confident154 Ų15482 Ų8272%0.7244%0.441SS*.PPolyproline II helixtrans-83.3144.1178.7-62.7-171.2179.700112P42 R56P42-E44 PolarHBondContact O-N 3.36Å; E44-R56 IonicContact OE2-CZ 3.8Å; E44-R56 IonicContact OE2-NH2 2.64Å; E44-R56 PolarHBondContact OE2-NH2 2.98Å
45E85.9Confident88.7Confident80 Ų8078.9 Ų78.937%0.37443%0.425SS..PPolyproline II helixtrans-70.3148.8172-70.8179.9179.300111.6R56 Y76E45-R56 PolarHBondContact O-NH1 3.48Å; E45-R56 PolarHBondContact O-NH2 3.35Å; E45-Y76 VanDerWaalsContact CD-OH 3.26Å; E45-Y76 PolarHBondContact OE1-OH 3.22Å
46P86.9Confident88.8Confident115 Ų11576 Ų7675%0.74741%0.411SS*.PPolyproline II helixtrans-62.3151.4174.227.8-34.8000111.2A48P46-A48 PolarHBondContact O-N 2.74Å
47Y88.8Confident89.2Confident112 Ų11274.5 Ų74.544%0.43939%0.389SS..PPolyproline II helixtrans-62.2130.9177.2-58.8-68.9000111G49 D52 K53 R56Y47-G49 VanDerWaalsContact C-N 3.27Å; Y47-G49 PolarHBondContact O-N 3.34Å; Y47-D52 WeakPolarHBondContact CA-OD2 3.37Å; Y47-K53 HydrophobicContact CD1-CB 3.91Å; Y47-K53 HydrophobicContact CD1-CG 4.22Å; Y47-K53 HydrophobicContact CD2-CD 4.48Å; Y47-K53 HydrophobicContact CD2-CG 4.38Å; Y47-K53 HydrophobicContact CE1-CB 4.32Å; Y47-K53 HydrophobicContact CE1-CG 4.19Å; Y47-K53 HydrophobicContact CE2-CG 4.35Å; Y47-K53 HydrophobicContact CG-CB 4.06Å; Y47-K53 HydrophobicContact CG-CG 4.33Å; Y47-R56 VanDerWaalsContact CD1-NH1 3.27Å; Y47-R56 HydrophobicContact CE1-CB 4.11Å; Y47-R56 HydrophobicContact CE1-CG 4.49Å
48A86.8Confident89.6Confident68 Ų6876.3 Ų76.356%0.56240%0.401SS*.  trans-71.6-25176.700000112.5P46 D52P46-A48 PolarHBondContact O-N 2.74Å; A48-D52 HydrophobicContact CB-CB 4.2Å; A48-D52 PolarHBondContact N-OD2 3.37Å; A48-D52 VanDerWaalsContact N-OD2 3.17Å
49G88.7Confident90.1Very high32 Ų3269.7 Ų69.733%0.3336%0.364SS..SBendtrans177.4-170.8-179.100000112.7Y47 D52 K53Y47-G49 VanDerWaalsContact C-N 3.27Å; Y47-G49 PolarHBondContact O-N 3.34Å; G49-D52 WeakPolarHBondContact O-CB 3.26Å; G49-D52 PolarHBondContact O-N 2.93Å; G49-K53 PolarHBondContact O-N 2.9Å
50W90.6Very high90.5Very high218 Ų21871.9 Ų71.983%0.82637%0.371SS*.Hα-helixtrans-68.3-40.4-177.2-75.968.9000113.1D52 K53 I54W50-D52 VanDerWaalsContact C-N 3.32Å; W50-D52 PolarHBondContact O-N 2.73Å; W50-K53 PolarHBondContact O-N 3.44Å; W50-I54 WeakPolarHBondContact O-CG1 3.42Å; W50-I54 PolarHBondContact O-N 2.89Å
51V91.3Very high90.8Very high79 Ų7971.1 Ų71.148%0.47937%0.367SS..Hα-helixtrans-63.3-41.9177.1-177.90000110.6I54 T55 L109V51-I54 PolarHBondContact O-N 3.46Å; V51-T55 WeakPolarHBondContact O-CB 3.44Å; V51-T55 PolarHBondContact O-N 3.3Å; V51-T55 PolarHBondContact O-OG1 3.48Å; V51-L109 HydrophobicContact CG1-CD2 3.86Å
52D91.6Very high91.1Very high0 Ų066.9 Ų66.90%035%0.349CS..Hα-helixtrans-60.1-47174.8-17271.4000111.8Y47 A48 G49 W50 T55 R56 S110 S113Y47-D52 WeakPolarHBondContact CA-OD2 3.37Å; A48-D52 HydrophobicContact CB-CB 4.2Å; A48-D52 PolarHBondContact N-OD2 3.37Å; A48-D52 VanDerWaalsContact N-OD2 3.17Å; G49-D52 WeakPolarHBondContact O-CB 3.26Å; G49-D52 PolarHBondContact O-N 2.93Å; W50-D52 VanDerWaalsContact C-N 3.32Å; W50-D52 PolarHBondContact O-N 2.73Å; D52-T55 PolarHBondContact O-N 3.06Å; D52-R56 PolarHBondContact O-N 2.86Å; D52-S110 WeakPolarHBondContact OD1-CB 3.39Å; D52-S110 PolarHBondContact OD1-N 2.88Å; D52-S110 PolarHBondContact OD1-OG 3.47Å; D52-S113 VanDerWaalsContact CG-OG 3.31Å; D52-S113 WeakPolarHBondContact OD1-CB 3.5Å; D52-S113 PolarHBondContact OD1-OG 3.22Å
53K93Very high91.3Very high102 Ų10266.9 Ų66.944%0.44335%0.349SS..Hα-helixtrans-59.8-47.8176.2-175.5177.2-179.7179.60112.3Y47 G49 W50 T55 R56 I57Y47-K53 HydrophobicContact CD1-CB 3.91Å; Y47-K53 HydrophobicContact CD1-CG 4.22Å; Y47-K53 HydrophobicContact CD2-CD 4.48Å; Y47-K53 HydrophobicContact CD2-CG 4.38Å; Y47-K53 HydrophobicContact CE1-CB 4.32Å; Y47-K53 HydrophobicContact CE1-CG 4.19Å; Y47-K53 HydrophobicContact CE2-CG 4.35Å; Y47-K53 HydrophobicContact CG-CB 4.06Å; Y47-K53 HydrophobicContact CG-CG 4.33Å; G49-K53 PolarHBondContact O-N 2.9Å; W50-K53 PolarHBondContact O-N 3.44Å; K53-T55 VanDerWaalsContact C-N 3.32Å; K53-T55 PolarHBondContact O-N 3.48Å; K53-R56 PolarHBondContact O-N 2.93Å; K53-I57 HydrophobicContact CG-CD1 3.85Å; K53-I57 VanDerWaalsContact O-CG1 3.3Å; K53-I57 WeakPolarHBondContact O-CG1 3.35Å; K53-I57 PolarHBondContact O-N 3.16Å
54I93Very high91.5Very high103 Ų10364.7 Ų64.753%0.52833%0.334SS..Hα-helixtrans-61.9-42.6178.2-68.9166.8000110.6W50 V51 I57 S58W50-I54 WeakPolarHBondContact O-CG1 3.42Å; W50-I54 PolarHBondContact O-N 2.89Å; V51-I54 PolarHBondContact O-N 3.46Å; I54-I57 PolarHBondContact O-N 3.33Å; I54-S58 VanDerWaalsContact O-CB 3.29Å; I54-S58 WeakPolarHBondContact O-CB 3.45Å; I54-S58 PolarHBondContact O-N 2.9Å; I54-S58 PolarHBondContact O-OG 2.81Å
55T92.4Very high91.8Very high18 Ų1860.5 Ų60.511%0.1131%0.311CS..Hα-helixtrans-62.6-49.1179.2-56.80000110.8V51 D52 K53 I57 S58 F59 L109 L117V51-T55 WeakPolarHBondContact O-CB 3.44Å; V51-T55 PolarHBondContact O-N 3.3Å; V51-T55 PolarHBondContact O-OG1 3.48Å; D52-T55 PolarHBondContact O-N 3.06Å; K53-T55 VanDerWaalsContact C-N 3.32Å; K53-T55 PolarHBondContact O-N 3.48Å; T55-I57 PolarHBondContact O-N 2.93Å; T55-S58 PolarHBondContact O-N 3.18Å; T55-F59 HydrophobicContact CG2-CD2 3.93Å; T55-F59 HydrophobicContact CG2-CE2 4.36Å; T55-F59 VanDerWaalsContact O-CD2 3.31Å; T55-F59 WeakPolarHBondContact O-CD2 3.35Å; T55-F59 PolarHBondContact O-N 3.12Å; T55-L109 HydrophobicContact CG2-CD2 4.44Å; T55-L117 HydrophobicContact CG2-CB 4.5Å
56R93Very high92.1Very high27 Ų2758.6 Ų58.610%0.10230%0.304CS..Hα-helixtrans-59.4-48177.6-77.4170.863.9-1781.3111.9E44 E45 Y47 D52 K53 S58 F59 Q60 S113 L116E44-R56 IonicContact OE2-CZ 3.8Å; E44-R56 IonicContact OE2-NH2 2.64Å; E44-R56 PolarHBondContact OE2-NH2 2.98Å; E45-R56 PolarHBondContact O-NH1 3.48Å; E45-R56 PolarHBondContact O-NH2 3.35Å; Y47-R56 VanDerWaalsContact CD1-NH1 3.27Å; Y47-R56 HydrophobicContact CE1-CB 4.11Å; Y47-R56 HydrophobicContact CE1-CG 4.49Å; D52-R56 PolarHBondContact O-N 2.86Å; K53-R56 PolarHBondContact O-N 2.93Å; R56-S58 VanDerWaalsContact C-N 3.33Å; R56-S58 PolarHBondContact O-N 3.36Å; R56-F59 PolarHBondContact O-N 3.38Å; R56-Q60 WeakPolarHBondContact O-CA 3.27Å; R56-Q60 VanDerWaalsContact O-CB 3.27Å; R56-Q60 WeakPolarHBondContact O-CB 3.22Å; R56-Q60 PolarHBondContact O-N 3.5Å; R56-S113 VanDerWaalsContact CG-OG 3.26Å; R56-S113 WeakPolarHBondContact CG-OG 3.36Å; R56-L116 HydrophobicContact CG-CD1 4.06Å
57I92.4Very high92.5Very high64 Ų6453.1 Ų53.133%0.32827%0.268SS..Hα-helixtrans-61.9-41.7178.7-67169.3000111.2K53 I54 T55 F59 Q60K53-I57 HydrophobicContact CG-CD1 3.85Å; K53-I57 VanDerWaalsContact O-CG1 3.3Å; K53-I57 WeakPolarHBondContact O-CG1 3.35Å; K53-I57 PolarHBondContact O-N 3.16Å; I54-I57 PolarHBondContact O-N 3.33Å; T55-I57 PolarHBondContact O-N 2.93Å; I57-F59 VanDerWaalsContact C-N 3.34Å; I57-F59 PolarHBondContact O-N 3.47Å; I57-Q60 WeakPolarHBondContact O-CG 3.28Å
58S92.5Very high92.8Very high52 Ų5248.8 Ų48.836%0.36425%0.253SS..Hα-helixtrans-69-32.4-177.4-570000113I54 T55 R56I54-S58 VanDerWaalsContact O-CB 3.29Å; I54-S58 WeakPolarHBondContact O-CB 3.45Å; I54-S58 PolarHBondContact O-N 2.9Å; I54-S58 PolarHBondContact O-OG 2.81Å; T55-S58 PolarHBondContact O-N 3.18Å; R56-S58 VanDerWaalsContact C-N 3.33Å; R56-S58 PolarHBondContact O-N 3.36Å
59F94.6Very high93.2Very high36 Ų3646.7 Ų46.716%0.15823%0.23CC..Hα-helixtrans-107.60.3-175.1-68-76.1000114.6T55 R56 I57 G61 F62 L116 L117 F120T55-F59 HydrophobicContact CG2-CD2 3.93Å; T55-F59 HydrophobicContact CG2-CE2 4.36Å; T55-F59 VanDerWaalsContact O-CD2 3.31Å; T55-F59 WeakPolarHBondContact O-CD2 3.35Å; T55-F59 PolarHBondContact O-N 3.12Å; R56-F59 PolarHBondContact O-N 3.38Å; I57-F59 VanDerWaalsContact C-N 3.34Å; I57-F59 PolarHBondContact O-N 3.47Å; F59-G61 PolarHBondContact O-N 3.32Å; F59-F62 HydrophobicContact CB-CD2 4.32Å; F59-F62 AromaticContact CD1-CD2 3.85Å; F59-F62 HydrophobicContact CD1-CD2 3.85Å; F59-F62 AromaticContact CD1-CE2 3.97Å; F59-F62 HydrophobicContact CD1-CE2 3.97Å; F59-F62 PolarHBondContact O-N 3.32Å; F59-L116 HydrophobicContact CB-CB 4.4Å; F59-L117 HydrophobicContact CE2-CD1 3.75Å; F59-L117 HydrophobicContact CZ-CD1 3.72Å; F59-F120 HydrophobicContact CD1-CB 3.92Å; F59-F120 HydrophobicContact CD1-CD1 4.22Å; F59-F120 HydrophobicContact CD1-CD2 4.15Å; F59-F120 AromaticContact CD1-CG 3.83Å; F59-F120 HydrophobicContact CD1-CG 3.83Å; F59-F120 HydrophobicContact CE1-CB 3.96Å; F59-F120 AromaticContact CE1-CD1 3.41Å; F59-F120 HydrophobicContact CE1-CD1 3.41Å; F59-F120 VanDerWaalsContact CE1-CD1 3.41Å; F59-F120 HydrophobicContact CE1-CD2 4Å; F59-F120 AromaticContact CE1-CE1 3.85Å; F59-F120 HydrophobicContact CE1-CE1 3.85Å; F59-F120 HydrophobicContact CE1-CE2 4.38Å; F59-F120 AromaticContact CE1-CG 3.5Å; F59-F120 HydrophobicContact CE1-CG 3.5Å; F59-F120 VanDerWaalsContact CE1-CG 3.5Å; F59-F120 HydrophobicContact CE1-CZ 4.31Å; F59-F120 HydrophobicContact CZ-CD1 4.16Å
60Q93.2Very high93.6Very high66 Ų6645.5 Ų45.531%0.30822%0.216SC..G310 helixtrans-57.4-35.7-177.967.8-168.52.700113S30 R56 I57 F62 C63 K64S30-Q60 PolarHBondContact O-NE2 3.35Å; R56-Q60 WeakPolarHBondContact O-CA 3.27Å; R56-Q60 VanDerWaalsContact O-CB 3.27Å; R56-Q60 WeakPolarHBondContact O-CB 3.22Å; R56-Q60 PolarHBondContact O-N 3.5Å; I57-Q60 WeakPolarHBondContact O-CG 3.28Å; Q60-F62 PolarHBondContact O-N 3.18Å; Q60-C63 PolarHBondContact O-N 2.93Å; Q60-K64 VanDerWaalsContact O-CE 3.26Å; Q60-K64 WeakPolarHBondContact O-CE 3.45Å
61G94.2Very high93.9Very high0 Ų035.8 Ų35.80%018%0.181CC..G310 helixtrans-61.9-23178.700000114.4F59F59-G61 PolarHBondContact O-N 3.32Å
62F96.4Very high94.1Very high1 Ų132.2 Ų32.20%0.00416%0.159CC..G310 helixtrans-89.7-4.8178.6-56.8-83000112.9A23 I26 S27 F59 Q60 C67 F120 S166 L167A23-F62 HydrophobicContact CB-CE1 4.31Å; A23-F62 HydrophobicContact CB-CZ 4.14Å; A23-F62 WeakPolarHBondContact O-CZ 3.34Å; I26-F62 HydrophobicContact CB-CD1 4.39Å; I26-F62 HydrophobicContact CB-CE1 3.78Å; I26-F62 HydrophobicContact CB-CZ 3.99Å; I26-F62 HydrophobicContact CD1-CD1 4.13Å; I26-F62 HydrophobicContact CD1-CE1 3.77Å; I26-F62 HydrophobicContact CG1-CE1 4.4Å; I26-F62 HydrophobicContact CG2-CD1 3.65Å; I26-F62 HydrophobicContact CG2-CD2 4.21Å; I26-F62 HydrophobicContact CG2-CE1 3.48Å; I26-F62 VanDerWaalsContact CG2-CE1 3.48Å; I26-F62 HydrophobicContact CG2-CE2 4.07Å; I26-F62 HydrophobicContact CG2-CG 4.02Å; I26-F62 HydrophobicContact CG2-CZ 3.7Å; S27-F62 WeakPolarHBondContact OG-CE2 3.32Å; F59-F62 HydrophobicContact CB-CD2 4.32Å; F59-F62 AromaticContact CD1-CD2 3.85Å; F59-F62 HydrophobicContact CD1-CD2 3.85Å; F59-F62 AromaticContact CD1-CE2 3.97Å; F59-F62 HydrophobicContact CD1-CE2 3.97Å; F59-F62 PolarHBondContact O-N 3.32Å; Q60-F62 PolarHBondContact O-N 3.18Å; F62-C67 PolarHBondContact O-SG 3.48Å; F62-C67 VanDerWaalsContact O-SG 3.39Å; F62-F120 AromaticContact CD1-CD2 3.97Å; F62-F120 HydrophobicContact CD1-CD2 3.97Å; F62-F120 HydrophobicContact CD1-CE2 4.28Å; F62-F120 HydrophobicContact CD2-CD2 4.18Å; F62-F120 AromaticContact CE1-CD2 3.86Å; F62-F120 HydrophobicContact CE1-CD2 3.86Å; F62-F120 AromaticContact CE1-CE2 3.7Å; F62-F120 HydrophobicContact CE1-CE2 3.7Å; F62-F120 HydrophobicContact CE2-CD2 4.08Å; F62-F120 HydrophobicContact CE2-CE2 4.09Å; F62-F120 HydrophobicContact CG-CD2 4.13Å; F62-F120 AromaticContact CZ-CD2 3.92Å; F62-F120 HydrophobicContact CZ-CD2 3.92Å; F62-F120 AromaticContact CZ-CE2 3.59Å; F62-F120 HydrophobicContact CZ-CE2 3.59Å; F62-S166 WeakPolarHBondContact O-CA 3.37Å; F62-S166 WeakPolarHBondContact O-CB 3.43Å; F62-L167 HydrophobicContact CB-CD1 3.68Å; F62-L167 WeakPolarHBondContact O-CD1 3.36Å; F62-L167 PolarHBondContact O-N 3.26Å
63C94.9Very high94.3Very high21 Ų2132.3 Ų32.314%0.14216%0.159CC..SBendtrans-12472.4-177.7-172.10000110.9Q60 C67 L116Q60-C63 PolarHBondContact O-N 2.93Å; C63-C67 HydrophobicContact CB-CB 4.47Å; C63-L116 HydrophobicContact CB-CD2 3.45Å; C63-L116 VanDerWaalsContact CB-CD2 3.45Å
64K93.7Very high94.5Very high11 Ų1127.5 Ų27.55%0.04814%0.139CC..  trans-129.5157.5178.8-58.8-74.3172.2156.80110.6D34 Q60 D66 C67 P510 F512D34-K64 IonicContact OD1-NZ 2.75Å; D34-K64 PolarHBondContact OD1-NZ 2.99Å; D34-K64 IonicContact OD2-NZ 2.79Å; D34-K64 PolarHBondContact OD2-NZ 3.25Å; Q60-K64 VanDerWaalsContact O-CE 3.26Å; Q60-K64 WeakPolarHBondContact O-CE 3.45Å; K64-D66 PolarHBondContact O-N 3.35Å; K64-C67 VanDerWaalsContact O-CB 3.23Å; K64-C67 WeakPolarHBondContact O-CB 3.33Å; K64-C67 PolarHBondContact O-N 3.2Å; K64-C67 VanDerWaalsContact O-N 3.16Å; K64-C67 PolarHBondContact O-SG 3.1Å; K64-C67 VanDerWaalsContact O-SG 3.37Å; K64-P510 WeakPolarHBondContact CD-O 3.3Å; K64-P510 WeakPolarHBondContact CE-O 3.38Å; K64-P510 WeakPolarHBondContact CG-O 3.45Å; K64-P510 PolarHBondContact NZ-O 3.45Å; K64-F512 HydrophobicContact CB-CD1 4.5Å; K64-F512 HydrophobicContact CB-CE1 4.29Å; K64-F512 HydrophobicContact CB-CZ 4.5Å; K64-F512 HydrophobicContact CD-CD1 4.47Å; K64-F512 HydrophobicContact CD-CD2 3.73Å; K64-F512 HydrophobicContact CD-CE1 4.13Å; K64-F512 HydrophobicContact CD-CE2 3.32Å; K64-F512 HydrophobicContact CD-CG 4.29Å; K64-F512 HydrophobicContact CD-CZ 3.55Å
65W93.2Very high94.5Very high65 Ų6523.2 Ų23.225%0.24612%0.117CC..THydrogen-bonded Turntrans54.4-133.9-179.3-59.598.8000112.2A37 A39 C67 I68 H509 F512A37-W65 HydrophobicContact CB-CH2 3.87Å; A37-W65 HydrophobicContact CB-CZ2 4.32Å; A37-W65 HydrophobicContact CB-CZ3 4.31Å; A39-W65 HydrophobicContact CB-CE3 4.08Å; A39-W65 HydrophobicContact CB-CZ3 4.25Å; W65-C67 PolarHBondContact O-N 2.95Å; W65-I68 WeakPolarHBondContact O-CB 3.37Å; W65-I68 WeakPolarHBondContact O-CG1 3.28Å; W65-I68 PolarHBondContact O-N 3.21Å; W65-H509 AromaticContact CD1-CD2 3.69Å; W65-H509 AromaticContact CD1-NE2 3.68Å; W65-F512 HydrophobicContact CD2-CD1 4.2Å; W65-F512 HydrophobicContact CG-CD1 4.33Å; W65-F512 HydrophobicContact CZ2-CB 4.41Å; W65-F512 WeakPolarHBondContact CZ2-O 3.16Å
66D92.5Very high94.5Very high40 Ų4023.8 Ų23.821%0.21412%0.117CC..THydrogen-bonded Turntrans-51.8-23.7177-62.6-13.1000114.7K64 I68 Y69 F70 F86 Y168 R426K64-D66 PolarHBondContact O-N 3.35Å; D66-I68 PolarHBondContact O-N 2.92Å; D66-Y69 WeakPolarHBondContact O-CB 3.47Å; D66-Y69 PolarHBondContact O-N 2.91Å; D66-F70 HydrophobicContact CB-CE2 4.43Å; D66-F70 VanDerWaalsContact O-CD2 3.27Å; D66-F70 WeakPolarHBondContact O-CD2 3.41Å; D66-F70 PolarHBondContact O-N 3.46Å; D66-F86 HydrophobicContact CB-CE1 3.77Å; D66-F86 HydrophobicContact CB-CZ 4.4Å; D66-Y168 HydrophobicContact CB-CD1 4.08Å; D66-Y168 HydrophobicContact CB-CE1 3.41Å; D66-Y168 VanDerWaalsContact CB-CE1 3.41Å; D66-R426 IonicContact OD2-CZ 3.34Å; D66-R426 IonicContact OD2-NH1 3.75Å; D66-R426 PolarHBondContact OD2-NH1 2.82Å; D66-R426 IonicContact OD2-NH2 2.7Å
67C94.9Very high94.5Very high0 Ų022.5 Ų22.50%011%0.113CC..Hα-helixtrans-54.5-34.8173.6-66.70000112.2F62 C63 K64 W65 Y69 F70 T71 L167 Y168F62-C67 PolarHBondContact O-SG 3.48Å; F62-C67 VanDerWaalsContact O-SG 3.39Å; C63-C67 HydrophobicContact CB-CB 4.47Å; K64-C67 VanDerWaalsContact O-CB 3.23Å; K64-C67 WeakPolarHBondContact O-CB 3.33Å; K64-C67 PolarHBondContact O-N 3.2Å; K64-C67 VanDerWaalsContact O-N 3.16Å; K64-C67 PolarHBondContact O-SG 3.1Å; K64-C67 VanDerWaalsContact O-SG 3.37Å; W65-C67 PolarHBondContact O-N 2.95Å; C67-Y69 VanDerWaalsContact C-N 3.29Å; C67-Y69 PolarHBondContact O-N 3.4Å; C67-F70 PolarHBondContact O-N 3.37Å; C67-F70 VanDerWaalsContact O-N 3.14Å; C67-T71 PolarHBondContact O-N 2.98Å; C67-T71 PolarHBondContact O-OG1 3.16Å; C67-L167 HydrophobicContact CB-CB 4.22Å; C67-L167 VanDerWaalsContact SG-C 3.51Å; C67-L167 PolarHBondContact SG-N 2.84Å; C67-L167 PolarHBondContact SG-O 3.09Å; C67-Y168 WeakPolarHBondContact SG-CD2 3.33Å; C67-Y168 WeakPolarHBondContact SG-CE2 3.44Å
68I95.7Very high94.5Very high22 Ų2220.1 Ų20.111%0.11310%0.099CC..Hα-helixtrans-64.5-37.5-178.8-58171.8000109.8F40 P42 W65 D66 T71 F72 F512F40-I68 HydrophobicContact CD1-CB 4.2Å; F40-I68 HydrophobicContact CD1-CG2 3.65Å; F40-I68 HydrophobicContact CE1-CG2 3.92Å; F40-I68 VanDerWaalsContact O-CD1 3.31Å; F40-I68 WeakPolarHBondContact O-CD1 3.25Å; P42-I68 HydrophobicContact CG-CG2 3.89Å; W65-I68 WeakPolarHBondContact O-CB 3.37Å; W65-I68 WeakPolarHBondContact O-CG1 3.28Å; W65-I68 PolarHBondContact O-N 3.21Å; D66-I68 PolarHBondContact O-N 2.92Å; I68-T71 PolarHBondContact O-OG1 3.21Å; I68-F72 WeakPolarHBondContact O-CB 3.37Å; I68-F72 PolarHBondContact O-N 3.27Å; I68-F512 HydrophobicContact CD1-CE1 4.04Å; I68-F512 HydrophobicContact CD1-CZ 3.91Å
69Y96.1Very high94.4Very high24 Ų2418 Ų189%0.0948%0.084CC..Hα-helixtrans-63.5-44172.6-76-80.5000111.7F40 D66 C67 F72 I73 N82 F86F40-Y69 HydrophobicContact CB-CD2 4.13Å; F40-Y69 HydrophobicContact CB-CE1 4.22Å; F40-Y69 HydrophobicContact CB-CE2 3.38Å; F40-Y69 VanDerWaalsContact CB-CZ 3.44Å; F40-Y69 WeakPolarHBondContact CB-OH 3.34Å; F40-Y69 AromaticContact CD1-CD1 3.77Å; F40-Y69 HydrophobicContact CD1-CD1 3.77Å; F40-Y69 AromaticContact CD1-CD2 3.9Å; F40-Y69 HydrophobicContact CD1-CD2 3.9Å; F40-Y69 AromaticContact CD1-CE1 3.75Å; F40-Y69 HydrophobicContact CD1-CE1 3.75Å; F40-Y69 AromaticContact CD1-CE2 3.88Å; F40-Y69 HydrophobicContact CD1-CE2 3.88Å; F40-Y69 AromaticContact CD1-CG 3.86Å; F40-Y69 HydrophobicContact CD1-CG 3.86Å; F40-Y69 AromaticContact CD1-CZ 3.82Å; F40-Y69 AromaticContact CD2-CE1 3.98Å; F40-Y69 HydrophobicContact CD2-CE1 3.98Å; F40-Y69 AromaticContact CD2-CZ 3.94Å; F40-Y69 AromaticContact CE1-CD1 3.89Å; F40-Y69 HydrophobicContact CE1-CD1 3.89Å; F40-Y69 HydrophobicContact CE1-CE1 4.05Å; F40-Y69 HydrophobicContact CE1-CG 4.26Å; F40-Y69 HydrophobicContact CE2-CE1 4.27Å; F40-Y69 HydrophobicContact CG-CD1 4.24Å; F40-Y69 HydrophobicContact CG-CD2 4.25Å; F40-Y69 AromaticContact CG-CE1 3.72Å; F40-Y69 HydrophobicContact CG-CE1 3.72Å; F40-Y69 AromaticContact CG-CE2 3.75Å; F40-Y69 HydrophobicContact CG-CE2 3.75Å; F40-Y69 HydrophobicContact CG-CG 4.5Å; F40-Y69 AromaticContact CG-CZ 3.47Å; F40-Y69 VanDerWaalsContact CG-CZ 3.47Å; F40-Y69 HydrophobicContact CZ-CD1 4.43Å; F40-Y69 HydrophobicContact CZ-CE1 4.31Å; D66-Y69 WeakPolarHBondContact O-CB 3.47Å; D66-Y69 PolarHBondContact O-N 2.91Å; C67-Y69 VanDerWaalsContact C-N 3.29Å; C67-Y69 PolarHBondContact O-N 3.4Å; Y69-F72 PolarHBondContact O-N 3.25Å; Y69-I73 WeakPolarHBondContact O-CB 3.45Å; Y69-I73 WeakPolarHBondContact O-CD1 3.45Å; Y69-I73 WeakPolarHBondContact O-CG1 3.42Å; Y69-I73 PolarHBondContact O-N 3.21Å; Y69-N82 PolarHBondContact OH-ND2 3.25Å; Y69-F86 AromaticContact CD1-CD2 3.88Å; Y69-F86 HydrophobicContact CD1-CD2 3.88Å; Y69-F86 AromaticContact CD1-CE2 3.54Å; Y69-F86 HydrophobicContact CD1-CE2 3.54Å; Y69-F86 HydrophobicContact CD1-CZ 4.31Å; Y69-F86 HydrophobicContact CD2-CD2 4.32Å; Y69-F86 HydrophobicContact CD2-CE1 4.17Å; Y69-F86 AromaticContact CD2-CE2 3.44Å; Y69-F86 HydrophobicContact CD2-CE2 3.44Å; Y69-F86 VanDerWaalsContact CD2-CE2 3.44Å; Y69-F86 AromaticContact CD2-CZ 3.34Å; Y69-F86 HydrophobicContact CD2-CZ 3.34Å; Y69-F86 AromaticContact CE1-CE2 3.95Å; Y69-F86 HydrophobicContact CE1-CE2 3.95Å; Y69-F86 AromaticContact CE2-CE2 3.85Å; Y69-F86 HydrophobicContact CE2-CE2 3.85Å; Y69-F86 AromaticContact CE2-CZ 3.84Å; Y69-F86 HydrophobicContact CE2-CZ 3.84Å; Y69-F86 AromaticContact CG-CD2 3.71Å; Y69-F86 HydrophobicContact CG-CD2 3.71Å; Y69-F86 HydrophobicContact CG-CE1 4.3Å; Y69-F86 AromaticContact CG-CE2 3.25Å; Y69-F86 HydrophobicContact CG-CE2 3.25Å; Y69-F86 HydrophobicContact CG-CG 4.39Å; Y69-F86 AromaticContact CG-CZ 3.59Å; Y69-F86 HydrophobicContact CG-CZ 3.59Å
70F97.5Very high94.3Very high6 Ų616.3 Ų16.33%0.0268%0.077CC..Hα-helixtrans-64-43.7-179.7-67.9-66.3000112.5D66 C67 A74 F86 F90 P91 L167 Y168D66-F70 HydrophobicContact CB-CE2 4.43Å; D66-F70 VanDerWaalsContact O-CD2 3.27Å; D66-F70 WeakPolarHBondContact O-CD2 3.41Å; D66-F70 PolarHBondContact O-N 3.46Å; C67-F70 PolarHBondContact O-N 3.37Å; C67-F70 VanDerWaalsContact O-N 3.14Å; F70-A74 WeakPolarHBondContact O-CB 3.32Å; F70-A74 PolarHBondContact O-N 3.09Å; F70-F86 HydrophobicContact CD1-CB 4.38Å; F70-F86 HydrophobicContact CE1-CB 4.06Å; F70-F86 HydrophobicContact CE1-CD1 4.1Å; F70-F86 HydrophobicContact CE2-CD1 4.07Å; F70-F86 AromaticContact CZ-CD1 3.8Å; F70-F86 HydrophobicContact CZ-CD1 3.8Å; F70-F90 HydrophobicContact CB-CD1 4.06Å; F70-F90 HydrophobicContact CB-CE1 4.36Å; F70-F90 HydrophobicContact CD1-CD1 4.15Å; F70-F90 HydrophobicContact CG-CD1 4.06Å; F70-P91 HydrophobicContact CB-CG 4.36Å; F70-P91 HydrophobicContact CD1-CG 3.71Å; F70-L167 WeakPolarHBondContact CD2-O 3.23Å; F70-Y168 AromaticContact CE2-CD1 3.92Å; F70-Y168 HydrophobicContact CE2-CD1 3.92Å; F70-Y168 HydrophobicContact CE2-CG 4.38Å
71T96.2Very high94.2Very high14 Ų1414.5 Ų14.59%0.0867%0.068CC..Hα-helixtrans-71.1-37176.956.90000111.9C67 I68 A74 N75 I94 I115 L116 L167C67-T71 PolarHBondContact O-N 2.98Å; C67-T71 PolarHBondContact O-OG1 3.16Å; I68-T71 PolarHBondContact O-OG1 3.21Å; T71-A74 PolarHBondContact O-N 3.41Å; T71-N75 WeakPolarHBondContact O-CB 3.24Å; T71-N75 PolarHBondContact O-N 2.87Å; T71-N75 PolarHBondContact O-ND2 2.81Å; T71-I94 HydrophobicContact CG2-CD1 4.47Å; T71-I115 HydrophobicContact CG2-CG2 4.07Å; T71-L116 HydrophobicContact CG2-CD2 4.33Å; T71-L167 HydrophobicContact CG2-CB 4.45Å; T71-L167 HydrophobicContact CG2-CD2 3.58Å
72F95.7Very high94.1Very high4 Ų414.8 Ų14.82%0.0187%0.07CC..Hα-helixtrans-60.5-48.9173.7-180-93.6000111.7F40 P42 I68 Y69 A74 N75 Y76 I79 F80 L301F40-F72 HydrophobicContact CE1-CB 3.98Å; F40-F72 HydrophobicContact CE1-CD1 4.36Å; F40-F72 HydrophobicContact CE1-CD2 4.26Å; F40-F72 AromaticContact CE1-CG 3.94Å; F40-F72 HydrophobicContact CE1-CG 3.94Å; F40-F72 HydrophobicContact CZ-CB 4.49Å; F40-F72 HydrophobicContact CZ-CD1 4.13Å; F40-F72 HydrophobicContact CZ-CD2 4.03Å; F40-F72 HydrophobicContact CZ-CE1 4.39Å; F40-F72 HydrophobicContact CZ-CE2 4.29Å; F40-F72 AromaticContact CZ-CG 3.95Å; F40-F72 HydrophobicContact CZ-CG 3.95Å; F40-F72 HydrophobicContact CZ-CZ 4.47Å; P42-F72 HydrophobicContact CB-CD2 4.09Å; P42-F72 HydrophobicContact CB-CE2 4.15Å; P42-F72 HydrophobicContact CG-CD2 3.95Å; I68-F72 WeakPolarHBondContact O-CB 3.37Å; I68-F72 PolarHBondContact O-N 3.27Å; Y69-F72 PolarHBondContact O-N 3.25Å; F72-A74 VanDerWaalsContact C-N 3.29Å; F72-A74 PolarHBondContact O-N 2.97Å; F72-N75 PolarHBondContact O-N 3.16Å; F72-Y76 AromaticContact CD2-CD2 3.59Å; F72-Y76 HydrophobicContact CD2-CD2 3.59Å; F72-Y76 HydrophobicContact CD2-CE2 4.03Å; F72-Y76 AromaticContact CE2-CD2 3.59Å; F72-Y76 HydrophobicContact CE2-CD2 3.59Å; F72-Y76 HydrophobicContact CE2-CE2 4.12Å; F72-Y76 HydrophobicContact CE2-CG 4.45Å; F72-Y76 HydrophobicContact CG-CD2 4.23Å; F72-Y76 HydrophobicContact CZ-CD2 4.23Å; F72-Y76 PolarHBondContact O-N 3.24Å; F72-I79 HydrophobicContact CE1-CB 4.35Å; F72-I79 HydrophobicContact CZ-CB 4.37Å; F72-F80 AromaticContact CE1-CD2 3.61Å; F72-F80 HydrophobicContact CE1-CD2 3.61Å; F72-F80 AromaticContact CE1-CE2 3.8Å; F72-F80 HydrophobicContact CE1-CE2 3.8Å; F72-F80 HydrophobicContact CE1-CG 4.4Å; F72-F80 HydrophobicContact CE2-CD2 4.47Å; F72-F80 AromaticContact CE2-CE2 3.85Å; F72-F80 HydrophobicContact CE2-CE2 3.85Å; F72-F80 AromaticContact CZ-CD2 3.59Å; F72-F80 HydrophobicContact CZ-CD2 3.59Å; F72-F80 AromaticContact CZ-CE2 3.25Å; F72-F80 HydrophobicContact CZ-CE2 3.25Å; F72-F80 HydrophobicContact CZ-CG 4.5Å; F72-F80 AromaticContact CZ-CZ 3.94Å; F72-F80 HydrophobicContact CZ-CZ 3.94Å; F72-L301 HydrophobicContact CE2-CD1 4.06Å; F72-L301 HydrophobicContact CE2-CD2 4.08Å
73I95.7Very high94Very high3 Ų314.7 Ų14.72%0.0157%0.069CC..Hα-helixtrans-62.8-38.1176.5-65.3160000110.6Y69 N75 G77 Y78 F86 P91 F293Y69-I73 WeakPolarHBondContact O-CB 3.45Å; Y69-I73 WeakPolarHBondContact O-CD1 3.45Å; Y69-I73 WeakPolarHBondContact O-CG1 3.42Å; Y69-I73 PolarHBondContact O-N 3.21Å; I73-N75 VanDerWaalsContact C-N 3.3Å; I73-N75 PolarHBondContact O-N 3.01Å; I73-G77 WeakPolarHBondContact O-CA 3.39Å; I73-G77 PolarHBondContact O-N 3.27Å; I73-Y78 HydrophobicContact CD1-CD1 4.24Å; I73-Y78 HydrophobicContact CD1-CE1 3.66Å; I73-Y78 HydrophobicContact CG1-CD1 4.27Å; I73-Y78 HydrophobicContact CG1-CE1 4.1Å; I73-Y78 HydrophobicContact CG2-CD1 4.43Å; I73-Y78 HydrophobicContact CG2-CD2 3.97Å; I73-Y78 HydrophobicContact CG2-CE1 4.05Å; I73-Y78 HydrophobicContact CG2-CE2 3.54Å; I73-Y78 HydrophobicContact CG2-CG 4.4Å; I73-F86 HydrophobicContact CD1-CB 3.66Å; I73-F86 HydrophobicContact CD1-CG 4.47Å; I73-P91 HydrophobicContact CB-CB 3.94Å; I73-P91 HydrophobicContact CB-CG 4.1Å; I73-P91 HydrophobicContact CD1-CG 4.47Å; I73-P91 HydrophobicContact CG2-CB 3.57Å; I73-P91 HydrophobicContact CG2-CG 3.95Å; I73-F293 WeakPolarHBondContact O-CE1 3.43Å
74A96Very high94Very high1 Ų113.8 Ų13.81%0.0086%0.063CC..Hα-helixtrans-65-34.417800000113.1F70 T71 F72 P91 I94 R99 I115F70-A74 WeakPolarHBondContact O-CB 3.32Å; F70-A74 PolarHBondContact O-N 3.09Å; T71-A74 PolarHBondContact O-N 3.41Å; F72-A74 VanDerWaalsContact C-N 3.29Å; F72-A74 PolarHBondContact O-N 2.97Å; A74-P91 HydrophobicContact CB-CB 4.31Å; A74-P91 WeakPolarHBondContact CB-O 3.4Å; A74-I94 HydrophobicContact CB-CD1 3.96Å; A74-I94 HydrophobicContact CB-CG1 3.64Å; A74-R99 PolarHBondContact O-NH1 3.33Å; A74-I115 HydrophobicContact CB-CD1 3.93Å; A74-I115 HydrophobicContact CB-CG2 4.2Å
75N93.2Very high94Very high13 Ų1314 Ų147%0.077%0.066CC..Hα-helixtrans-77.4-53.8176.8-88.1-50.8000112.5T71 F72 I73 L111 S112 I115T71-N75 WeakPolarHBondContact O-CB 3.24Å; T71-N75 PolarHBondContact O-N 2.87Å; T71-N75 PolarHBondContact O-ND2 2.81Å; F72-N75 PolarHBondContact O-N 3.16Å; I73-N75 VanDerWaalsContact C-N 3.3Å; I73-N75 PolarHBondContact O-N 3.01Å; N75-L111 WeakPolarHBondContact OD1-CD2 3.28Å; N75-L111 VanDerWaalsContact OD1-CG 3.3Å; N75-L111 WeakPolarHBondContact OD1-CG 3.2Å; N75-S112 PolarHBondContact ND2-OG 3.15Å; N75-S112 VanDerWaalsContact ND2-OG 3.14Å; N75-I115 HydrophobicContact CB-CD1 4.42Å; N75-I115 VanDerWaalsContact OD1-CD1 3.24Å; N75-I115 WeakPolarHBondContact OD1-CD1 3.45Å
76Y92.6Very high94.2Very high29 Ų2911.7 Ų11.711%0.1146%0.057CC..Hα-helixtrans-118.4-9.1-163.9-51.5-71000114.4E45 F72 I79 F293 P298 L301E45-Y76 VanDerWaalsContact CD-OH 3.26Å; E45-Y76 PolarHBondContact OE1-OH 3.22Å; F72-Y76 AromaticContact CD2-CD2 3.59Å; F72-Y76 HydrophobicContact CD2-CD2 3.59Å; F72-Y76 HydrophobicContact CD2-CE2 4.03Å; F72-Y76 AromaticContact CE2-CD2 3.59Å; F72-Y76 HydrophobicContact CE2-CD2 3.59Å; F72-Y76 HydrophobicContact CE2-CE2 4.12Å; F72-Y76 HydrophobicContact CE2-CG 4.45Å; F72-Y76 HydrophobicContact CG-CD2 4.23Å; F72-Y76 HydrophobicContact CZ-CD2 4.23Å; F72-Y76 PolarHBondContact O-N 3.24Å; Y76-I79 VanDerWaalsContact CB-CD1 3.46Å; Y76-I79 HydrophobicContact CG-CD1 4.39Å; Y76-F293 VanDerWaalsContact C-CD1 3.42Å; Y76-P298 HydrophobicContact CE1-CG 4.39Å; Y76-L301 HydrophobicContact CD1-CD1 4.1Å; Y76-L301 HydrophobicContact CD2-CD1 3.95Å; Y76-L301 HydrophobicContact CE1-CD1 3.97Å; Y76-L301 HydrophobicContact CE2-CD1 3.8Å; Y76-L301 HydrophobicContact CG-CD1 4.09Å
77G92.4Very high94.4Very high1 Ų110 Ų101%0.015%0.048CC..  trans78.9-165.1-174.700000112.8I73 I79 F293I73-G77 WeakPolarHBondContact O-CA 3.39Å; I73-G77 PolarHBondContact O-N 3.27Å; G77-I79 VanDerWaalsContact C-N 3.28Å; G77-I79 PolarHBondContact O-N 3.11Å; G77-F293 VanDerWaalsContact N-CD1 3.33Å; G77-F293 VanDerWaalsContact N-CE1 3.28Å
78Y92.8Very high94.5Very high13 Ų1310.7 Ų10.75%0.0515%0.053CC..SBendtrans-84.460.9-173.4-71.2-85.8000112.8I73 S83 L84 F86 P88 F274 Y277 L281 Y282I73-Y78 HydrophobicContact CD1-CD1 4.24Å; I73-Y78 HydrophobicContact CD1-CE1 3.66Å; I73-Y78 HydrophobicContact CG1-CD1 4.27Å; I73-Y78 HydrophobicContact CG1-CE1 4.1Å; I73-Y78 HydrophobicContact CG2-CD1 4.43Å; I73-Y78 HydrophobicContact CG2-CD2 3.97Å; I73-Y78 HydrophobicContact CG2-CE1 4.05Å; I73-Y78 HydrophobicContact CG2-CE2 3.54Å; I73-Y78 HydrophobicContact CG2-CG 4.4Å; Y78-S83 WeakPolarHBondContact CD1-OG 3.39Å; Y78-S83 VanDerWaalsContact CE1-O 3.29Å; Y78-S83 WeakPolarHBondContact CE1-O 3.47Å; Y78-L84 HydrophobicContact CD1-CD2 3.85Å; Y78-L84 HydrophobicContact CD1-CG 4.45Å; Y78-L84 HydrophobicContact CG-CD2 4.14Å; Y78-F86 VanDerWaalsContact CE1-O 3.26Å; Y78-F86 WeakPolarHBondContact CE1-O 3.24Å; Y78-F86 PolarHBondContact OH-O 3.26Å; Y78-P88 HydrophobicContact CE2-CB 4.24Å; Y78-P88 WeakPolarHBondContact OH-CA 3.33Å; Y78-P88 WeakPolarHBondContact OH-CB 3.44Å; Y78-F274 HydrophobicContact CD1-CZ 4.44Å; Y78-F274 HydrophobicContact CD2-CE2 4.4Å; Y78-F274 AromaticContact CE1-CE2 3.91Å; Y78-F274 HydrophobicContact CE1-CE2 3.91Å; Y78-F274 AromaticContact CE1-CZ 3.65Å; Y78-F274 HydrophobicContact CE1-CZ 3.65Å; Y78-F274 AromaticContact CE2-CE2 3.74Å; Y78-F274 HydrophobicContact CE2-CE2 3.74Å; Y78-F274 HydrophobicContact CE2-CZ 4.32Å; Y78-F274 AromaticContact CZ-CE2 3.46Å; Y78-F274 VanDerWaalsContact CZ-CE2 3.46Å; Y78-F274 AromaticContact CZ-CZ 3.58Å; Y78-Y277 AromaticContact CD2-CE1 3.65Å; Y78-Y277 HydrophobicContact CD2-CE1 3.65Å; Y78-Y277 HydrophobicContact CE2-CE1 4.29Å; Y78-Y277 HydrophobicContact CG-CE1 4.25Å; Y78-L281 WeakPolarHBondContact O-CD2 3.15Å; Y78-Y282 PolarHBondContact O-OH 3.44Å
79I91.3Very high94.6Very high9 Ų99.8 Ų9.85%0.0465%0.048CC..  trans-71-32.8-178.2-62.6175.7000112.6F72 Y76 G77 Y282 I297 I312 P313 L316F72-I79 HydrophobicContact CE1-CB 4.35Å; F72-I79 HydrophobicContact CZ-CB 4.37Å; Y76-I79 VanDerWaalsContact CB-CD1 3.46Å; Y76-I79 HydrophobicContact CG-CD1 4.39Å; G77-I79 VanDerWaalsContact C-N 3.28Å; G77-I79 PolarHBondContact O-N 3.11Å; I79-Y282 VanDerWaalsContact C-OH 3.31Å; I79-Y282 PolarHBondContact O-OH 3.47Å; I79-I297 HydrophobicContact CD1-CG1 4.11Å; I79-I297 HydrophobicContact CD1-CG2 4.39Å; I79-I297 HydrophobicContact CG1-CG1 4.48Å; I79-I297 HydrophobicContact CG2-CD1 3.52Å; I79-I297 HydrophobicContact CG2-CG1 3.96Å; I79-I297 HydrophobicContact CG2-CG2 4.34Å; I79-I312 HydrophobicContact CG2-CG2 4.41Å; I79-P313 WeakPolarHBondContact O-CD 3.27Å; I79-L316 HydrophobicContact CG1-CD1 4.32Å
80F92Very high94.7Very high0 Ų08.6 Ų8.60%04%0.044CC..SBendtrans-107.7137.3-179.2-56.8-42.4000111.1F40 F72 N82 S83 Y282 Y304 F310F40-F80 AromaticContact CE2-CD2 3.75Å; F40-F80 HydrophobicContact CE2-CD2 3.75Å; F40-F80 AromaticContact CE2-CE2 3.8Å; F40-F80 HydrophobicContact CE2-CE2 3.8Å; F40-F80 AromaticContact CZ-CD2 3.82Å; F40-F80 HydrophobicContact CZ-CD2 3.82Å; F40-F80 AromaticContact CZ-CE2 3.86Å; F40-F80 HydrophobicContact CZ-CE2 3.86Å; F72-F80 AromaticContact CE1-CD2 3.61Å; F72-F80 HydrophobicContact CE1-CD2 3.61Å; F72-F80 AromaticContact CE1-CE2 3.8Å; F72-F80 HydrophobicContact CE1-CE2 3.8Å; F72-F80 HydrophobicContact CE1-CG 4.4Å; F72-F80 HydrophobicContact CE2-CD2 4.47Å; F72-F80 AromaticContact CE2-CE2 3.85Å; F72-F80 HydrophobicContact CE2-CE2 3.85Å; F72-F80 AromaticContact CZ-CD2 3.59Å; F72-F80 HydrophobicContact CZ-CD2 3.59Å; F72-F80 AromaticContact CZ-CE2 3.25Å; F72-F80 HydrophobicContact CZ-CE2 3.25Å; F72-F80 HydrophobicContact CZ-CG 4.5Å; F72-F80 AromaticContact CZ-CZ 3.94Å; F72-F80 HydrophobicContact CZ-CZ 3.94Å; F80-N82 VanDerWaalsContact C-N 3.32Å; F80-N82 WeakPolarHBondContact CB-OD1 3.29Å; F80-N82 PolarHBondContact O-N 3.32Å; F80-S83 VanDerWaalsContact O-CB 3.28Å; F80-S83 WeakPolarHBondContact O-CB 3.24Å; F80-S83 PolarHBondContact O-N 3.45Å; F80-S83 PolarHBondContact O-OG 3.19Å; F80-Y282 PolarHBondContact N-OH 3.29Å; F80-Y282 PolarHBondContact O-OH 3.03Å; F80-Y304 HydrophobicContact CE2-CD1 4.17Å; F80-Y304 HydrophobicContact CE2-CE1 4.43Å; F80-Y304 HydrophobicContact CZ-CD1 4.04Å; F80-F310 HydrophobicContact CB-CB 4.43Å; F80-F310 HydrophobicContact CB-CD2 4.18Å; F80-F310 HydrophobicContact CB-CG 4.48Å; F80-F310 HydrophobicContact CD1-CB 4.11Å; F80-F310 AromaticContact CD1-CD2 3.96Å; F80-F310 HydrophobicContact CD1-CD2 3.96Å; F80-F310 HydrophobicContact CD2-CD2 4.12Å; F80-F310 HydrophobicContact CD2-CE2 4.47Å; F80-F310 HydrophobicContact CE1-CD2 4.37Å; F80-F310 HydrophobicContact CE2-CD2 4.5Å; F80-F310 HydrophobicContact CG-CB 4.47Å; F80-F310 AromaticContact CG-CD2 3.84Å; F80-F310 HydrophobicContact CG-CD2 3.84Å; F80-F310 HydrophobicContact CG-CG 4.5Å
81E91.8Very high94.7Very high27 Ų278.4 Ų8.413%0.1264%0.043CC..G310 helixtrans-57.3-43.9-177179.2-175.1-174.300112.7S83 L84 Y282 S311 W328 I340E81-S83 PolarHBondContact O-N 3.01Å; E81-S83 VanDerWaalsContact O-N 3.08Å; E81-L84 VanDerWaalsContact O-CB 3.28Å; E81-L84 WeakPolarHBondContact O-CB 3.27Å; E81-L84 WeakPolarHBondContact O-CG 3.34Å; E81-L84 PolarHBondContact O-N 3.24Å; E81-Y282 HydrophobicContact CB-CE1 3.98Å; E81-Y282 PolarHBondContact N-OH 2.97Å; E81-Y282 VanDerWaalsContact N-OH 3.11Å; E81-S311 PolarHBondContact N-O 3.39Å; E81-S311 WeakPolarHBondContact OE2-CB 3.49Å; E81-S311 PolarHBondContact OE2-OG 3.27Å; E81-W328 VanDerWaalsContact OE1-CD1 3.29Å; E81-W328 PolarHBondContact OE1-NE1 3.16Å; E81-I340 HydrophobicContact CG-CD1 3.96Å; E81-I340 HydrophobicContact CG-CG1 4.26Å; E81-I340 WeakPolarHBondContact O-CD1 3.42Å
82N91.5Very high94.8Very high6 Ų613.2 Ų13.23%0.0327%0.066CC..G310 helixtrans-58.2-25178.563.6-11.3000113.2Y69 F80 L84 F310Y69-N82 PolarHBondContact OH-ND2 3.25Å; F80-N82 VanDerWaalsContact C-N 3.32Å; F80-N82 WeakPolarHBondContact CB-OD1 3.29Å; F80-N82 PolarHBondContact O-N 3.32Å; N82-L84 VanDerWaalsContact C-N 3.25Å; N82-L84 PolarHBondContact O-N 3.35Å; N82-F310 WeakPolarHBondContact ND2-CE1 3.5Å; N82-F310 VanDerWaalsContact ND2-CZ 3.27Å; N82-F310 WeakPolarHBondContact ND2-CZ 3.35Å
83S93.9Very high94.9Very high0 Ų015.4 Ų15.40%08%0.078CC..G310 helixtrans-69.4-20.6177.676.90000113.2Y78 F80 E81 V85 F86Y78-S83 WeakPolarHBondContact CD1-OG 3.39Å; Y78-S83 VanDerWaalsContact CE1-O 3.29Å; Y78-S83 WeakPolarHBondContact CE1-O 3.47Å; F80-S83 VanDerWaalsContact O-CB 3.28Å; F80-S83 WeakPolarHBondContact O-CB 3.24Å; F80-S83 PolarHBondContact O-N 3.45Å; F80-S83 PolarHBondContact O-OG 3.19Å; E81-S83 PolarHBondContact O-N 3.01Å; E81-S83 VanDerWaalsContact O-N 3.08Å; S83-V85 PolarHBondContact O-N 3.35Å; S83-V85 VanDerWaalsContact O-N 3.07Å; S83-F86 WeakPolarHBondContact O-CB 3.31Å; S83-F86 PolarHBondContact O-N 3.44Å
84L94.9Very high94.9Very high1 Ų115.3 Ų15.31%0.0058%0.077CC..G310 helixtrans-62.4-16.1179.6-70.2172.4000113.9Y78 E81 N82 F86 F274 Y282 W328 I340Y78-L84 HydrophobicContact CD1-CD2 3.85Å; Y78-L84 HydrophobicContact CD1-CG 4.45Å; Y78-L84 HydrophobicContact CG-CD2 4.14Å; E81-L84 VanDerWaalsContact O-CB 3.28Å; E81-L84 WeakPolarHBondContact O-CB 3.27Å; E81-L84 WeakPolarHBondContact O-CG 3.34Å; E81-L84 PolarHBondContact O-N 3.24Å; N82-L84 VanDerWaalsContact C-N 3.25Å; N82-L84 PolarHBondContact O-N 3.35Å; L84-F86 VanDerWaalsContact C-N 3.29Å; L84-F274 HydrophobicContact CD2-CZ 4.5Å; L84-F274 WeakPolarHBondContact O-CE1 3.23Å; L84-F274 WeakPolarHBondContact O-CZ 3.46Å; L84-Y282 HydrophobicContact CD1-CD2 3.83Å; L84-Y282 HydrophobicContact CD1-CE2 3.68Å; L84-Y282 HydrophobicContact CD2-CE2 4.17Å; L84-Y282 HydrophobicContact CG-CE2 4.08Å; L84-W328 HydrophobicContact CD1-CH2 4.38Å; L84-W328 HydrophobicContact CD1-CZ2 3.99Å; L84-I340 HydrophobicContact CB-CD1 3.78Å; L84-I340 HydrophobicContact CD1-CD1 4.07Å
85V94.7Very high94.9Very high17 Ų1715.2 Ų15.210%0.1038%0.076CC..G310 helixtrans-70.6-28.9173.2168.30000112.2S83 F87 Y337 I340 Q341 W345S83-V85 PolarHBondContact O-N 3.35Å; S83-V85 VanDerWaalsContact O-N 3.07Å; V85-F87 WeakPolarHBondContact O-CD2 3.13Å; V85-F87 PolarHBondContact O-N 3.49Å; V85-Y337 HydrophobicContact CG1-CE2 4.13Å; V85-I340 HydrophobicContact CG2-CB 3.7Å; V85-I340 HydrophobicContact CG2-CG2 3.4Å; V85-Q341 HydrophobicContact CG2-CG 4.49Å; V85-W345 HydrophobicContact CB-CH2 3.97Å; V85-W345 HydrophobicContact CB-CZ3 3.94Å; V85-W345 HydrophobicContact CG1-CH2 3.9Å; V85-W345 HydrophobicContact CG1-CZ3 3.82Å; V85-W345 HydrophobicContact CG2-CH2 3.92Å; V85-W345 HydrophobicContact CG2-CZ3 3.45Å; V85-W345 VanDerWaalsContact CG2-CZ3 3.45Å
86F96.5Very high95.1Very high15 Ų1519.1 Ų19.17%0.06610%0.097CC..SBendtrans-85.8112.3-179.6-59.6-86.8000108.9D66 Y69 F70 I73 Y78 S83 L84 W345D66-F86 HydrophobicContact CB-CE1 3.77Å; D66-F86 HydrophobicContact CB-CZ 4.4Å; Y69-F86 AromaticContact CD1-CD2 3.88Å; Y69-F86 HydrophobicContact CD1-CD2 3.88Å; Y69-F86 AromaticContact CD1-CE2 3.54Å; Y69-F86 HydrophobicContact CD1-CE2 3.54Å; Y69-F86 HydrophobicContact CD1-CZ 4.31Å; Y69-F86 HydrophobicContact CD2-CD2 4.32Å; Y69-F86 HydrophobicContact CD2-CE1 4.17Å; Y69-F86 AromaticContact CD2-CE2 3.44Å; Y69-F86 HydrophobicContact CD2-CE2 3.44Å; Y69-F86 VanDerWaalsContact CD2-CE2 3.44Å; Y69-F86 AromaticContact CD2-CZ 3.34Å; Y69-F86 HydrophobicContact CD2-CZ 3.34Å; Y69-F86 AromaticContact CE1-CE2 3.95Å; Y69-F86 HydrophobicContact CE1-CE2 3.95Å; Y69-F86 AromaticContact CE2-CE2 3.85Å; Y69-F86 HydrophobicContact CE2-CE2 3.85Å; Y69-F86 AromaticContact CE2-CZ 3.84Å; Y69-F86 HydrophobicContact CE2-CZ 3.84Å; Y69-F86 AromaticContact CG-CD2 3.71Å; Y69-F86 HydrophobicContact CG-CD2 3.71Å; Y69-F86 HydrophobicContact CG-CE1 4.3Å; Y69-F86 AromaticContact CG-CE2 3.25Å; Y69-F86 HydrophobicContact CG-CE2 3.25Å; Y69-F86 HydrophobicContact CG-CG 4.39Å; Y69-F86 AromaticContact CG-CZ 3.59Å; Y69-F86 HydrophobicContact CG-CZ 3.59Å; F70-F86 HydrophobicContact CD1-CB 4.38Å; F70-F86 HydrophobicContact CE1-CB 4.06Å; F70-F86 HydrophobicContact CE1-CD1 4.1Å; F70-F86 HydrophobicContact CE2-CD1 4.07Å; F70-F86 AromaticContact CZ-CD1 3.8Å; F70-F86 HydrophobicContact CZ-CD1 3.8Å; I73-F86 HydrophobicContact CD1-CB 3.66Å; I73-F86 HydrophobicContact CD1-CG 4.47Å; Y78-F86 VanDerWaalsContact CE1-O 3.26Å; Y78-F86 WeakPolarHBondContact CE1-O 3.24Å; Y78-F86 PolarHBondContact OH-O 3.26Å; S83-F86 WeakPolarHBondContact O-CB 3.31Å; S83-F86 PolarHBondContact O-N 3.44Å; L84-F86 VanDerWaalsContact C-N 3.29Å; F86-W345 HydrophobicContact CE2-CH2 4.43Å; F86-W345 HydrophobicContact CZ-CZ2 4.49Å
87F97.4Very high95.2Very high5 Ų520.1 Ų20.12%0.02210%0.104CC..  trans-68.8152.6-172.8-89.1-129.6000112.5V85 G89 P91 V200 M201 C202 F271 F274 Y337V85-F87 WeakPolarHBondContact O-CD2 3.13Å; V85-F87 PolarHBondContact O-N 3.49Å; F87-G89 PolarHBondContact O-N 2.77Å; F87-P91 VanDerWaalsContact O-CD 3.32Å; F87-P91 WeakPolarHBondContact O-CD 3.28Å; F87-V200 WeakPolarHBondContact CD1-O 3.21Å; F87-V200 WeakPolarHBondContact CE1-O 3.32Å; F87-M201 WeakPolarHBondContact CB-O 3.19Å; F87-C202 WeakPolarHBondContact CB-O 3.48Å; F87-F271 AromaticContact CE1-CD2 3.82Å; F87-F271 HydrophobicContact CE1-CD2 3.82Å; F87-F271 AromaticContact CZ-CD2 3.59Å; F87-F271 HydrophobicContact CZ-CD2 3.59Å; F87-F271 AromaticContact CZ-CE2 3.9Å; F87-F271 HydrophobicContact CZ-CE2 3.9Å; F87-F274 HydrophobicContact CD1-CD1 4.34Å; F87-F274 HydrophobicContact CD2-CD1 4.27Å; F87-F274 AromaticContact CD2-CE1 3.97Å; F87-F274 HydrophobicContact CD2-CE1 3.97Å; F87-F274 HydrophobicContact CE1-CD1 4.42Å; F87-F274 HydrophobicContact CE2-CD1 4.32Å; F87-F274 HydrophobicContact CE2-CE1 4.23Å; F87-F274 HydrophobicContact CG-CD1 4.29Å; F87-F274 HydrophobicContact CG-CE1 4.25Å; F87-F274 HydrophobicContact CZ-CD1 4.4Å; F87-Y337 AromaticContact CE2-CD2 3.74Å; F87-Y337 HydrophobicContact CE2-CD2 3.74Å; F87-Y337 AromaticContact CE2-CE2 3.79Å; F87-Y337 HydrophobicContact CE2-CE2 3.79Å
88P97.3Very high95.4Very high15 Ų1520.1 Ų20.110%0.09710%0.103CC..SBendtrans-79.1-15.7-162.431.7-38.2000114.2Y78 F90 P91 M92 M201 F274Y78-P88 HydrophobicContact CE2-CB 4.24Å; Y78-P88 WeakPolarHBondContact OH-CA 3.33Å; Y78-P88 WeakPolarHBondContact OH-CB 3.44Å; P88-F90 PolarHBondContact O-N 3.4Å; P88-P91 WeakPolarHBondContact O-CD 3.31Å; P88-M92 HydrophobicContact CB-CG 4.18Å; P88-M92 HydrophobicContact CB-SD 3.79Å; P88-M92 HydrophobicContact CG-SD 4.43Å; P88-M92 WeakPolarHBondContact O-CB 3.23Å; P88-M92 WeakPolarHBondContact O-CG 3.49Å; P88-M92 PolarHBondContact O-N 3.47Å; P88-M201 HydrophobicContact CG-CG 4.26Å; P88-F274 HydrophobicContact CB-CD2 4.26Å; P88-F274 HydrophobicContact CB-CE2 4.25Å; P88-F274 HydrophobicContact CG-CB 4.41Å; P88-F274 HydrophobicContact CG-CD2 3.67Å; P88-F274 HydrophobicContact CG-CE2 4.06Å; P88-F274 HydrophobicContact CG-CG 3.99Å
89G97.6Very high95.4Very high2 Ų222.3 Ų22.32%0.02111%0.112CC..Hα-helixtrans-59.1-46-168.500000114.4F87 L93 M201F87-G89 PolarHBondContact O-N 2.77Å; G89-L93 PolarHBondContact O-N 3.21Å; G89-M201 WeakPolarHBondContact CA-O 3.41Å; G89-M201 PolarHBondContact N-O 3.19Å
90F98.2Very high95.5Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-74.9-47.7178.4-175.7-110.6000112.9F70 P88 M92 L93 I94 N123 L167 Y168 L172F70-F90 HydrophobicContact CB-CD1 4.06Å; F70-F90 HydrophobicContact CB-CE1 4.36Å; F70-F90 HydrophobicContact CD1-CD1 4.15Å; F70-F90 HydrophobicContact CG-CD1 4.06Å; P88-F90 PolarHBondContact O-N 3.4Å; F90-M92 VanDerWaalsContact C-N 3.3Å; F90-M92 PolarHBondContact O-N 3.15Å; F90-L93 WeakPolarHBondContact O-CB 3.18Å; F90-L93 PolarHBondContact O-N 3.48Å; F90-L93 VanDerWaalsContact O-N 3.14Å; F90-I94 HydrophobicContact CD1-CD1 4.16Å; F90-I94 HydrophobicContact CD2-CG2 4.1Å; F90-I94 HydrophobicContact CE1-CD1 3.84Å; F90-I94 HydrophobicContact CE1-CG2 4.08Å; F90-I94 HydrophobicContact CE2-CG2 3.61Å; F90-I94 HydrophobicContact CZ-CD1 4.36Å; F90-I94 HydrophobicContact CZ-CG2 3.6Å; F90-I94 WeakPolarHBondContact O-CG1 3.26Å; F90-I94 PolarHBondContact O-N 2.89Å; F90-N123 VanDerWaalsContact CE2-OD1 3.28Å; F90-N123 WeakPolarHBondContact CE2-OD1 3.25Å; F90-L167 VanDerWaalsContact CE1-C 3.47Å; F90-L167 HydrophobicContact CE1-CB 4.16Å; F90-L167 WeakPolarHBondContact CE1-O 3.26Å; F90-L167 HydrophobicContact CZ-CB 4.4Å; F90-Y168 WeakPolarHBondContact CE1-O 3.38Å; F90-Y168 WeakPolarHBondContact CZ-O 3.41Å; F90-L172 HydrophobicContact CB-CD2 4.1Å; F90-L172 HydrophobicContact CD2-CB 4.26Å; F90-L172 HydrophobicContact CD2-CD2 4.09Å
91P97.8Very high95.5Very high2 Ų227.6 Ų27.61%0.01314%0.142CC..Hα-helixtrans-54.8-41.1173.1-29.436.1000114.3F70 I73 A74 F87 P88 G95F70-P91 HydrophobicContact CB-CG 4.36Å; F70-P91 HydrophobicContact CD1-CG 3.71Å; I73-P91 HydrophobicContact CB-CB 3.94Å; I73-P91 HydrophobicContact CB-CG 4.1Å; I73-P91 HydrophobicContact CD1-CG 4.47Å; I73-P91 HydrophobicContact CG2-CB 3.57Å; I73-P91 HydrophobicContact CG2-CG 3.95Å; A74-P91 HydrophobicContact CB-CB 4.31Å; A74-P91 WeakPolarHBondContact CB-O 3.4Å; F87-P91 VanDerWaalsContact O-CD 3.32Å; F87-P91 WeakPolarHBondContact O-CD 3.28Å; P88-P91 WeakPolarHBondContact O-CD 3.31Å; P91-G95 WeakPolarHBondContact O-CA 3.28Å; P91-G95 PolarHBondContact O-N 3.33Å
92M96.7Very high95.5Very high114 Ų11428.7 Ų28.756%0.56215%0.149SC*.Hα-helixtrans-62.9-44.1177.1-74.7175.67000111.4P88 F90 L96P88-M92 HydrophobicContact CB-CG 4.18Å; P88-M92 HydrophobicContact CB-SD 3.79Å; P88-M92 HydrophobicContact CG-SD 4.43Å; P88-M92 WeakPolarHBondContact O-CB 3.23Å; P88-M92 WeakPolarHBondContact O-CG 3.49Å; P88-M92 PolarHBondContact O-N 3.47Å; F90-M92 VanDerWaalsContact C-N 3.3Å; F90-M92 PolarHBondContact O-N 3.15Å; M92-L96 WeakPolarHBondContact O-CB 3.09Å; M92-L96 PolarHBondContact O-N 3.27Å
93L97.8Very high95.3Very high51 Ų5138.9 Ų38.927%0.26719%0.187SC..Hα-helixtrans-61.6-56.5178.3176.463.8000111.2G89 F90 G95 L96 L97 L126 L172G89-L93 PolarHBondContact O-N 3.21Å; F90-L93 WeakPolarHBondContact O-CB 3.18Å; F90-L93 PolarHBondContact O-N 3.48Å; F90-L93 VanDerWaalsContact O-N 3.14Å; L93-G95 VanDerWaalsContact C-N 3.32Å; L93-G95 PolarHBondContact O-N 2.93Å; L93-L96 PolarHBondContact O-N 3.37Å; L93-L97 HydrophobicContact CD1-CD1 3.92Å; L93-L97 HydrophobicContact CD1-CG 4.2Å; L93-L97 HydrophobicContact CG-CD1 4.06Å; L93-L97 WeakPolarHBondContact O-CB 3.49Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.38Å; L93-L126 HydrophobicContact CD2-CD1 4.42Å; L93-L172 HydrophobicContact CD2-CD1 3.87Å; L93-L172 HydrophobicContact CD2-CD2 3.91Å; L93-L172 HydrophobicContact CD2-CG 4.5Å
94I97.3Very high95Very high0 Ų044.6 Ų44.60%022%0.222CC..Hα-helixtrans-68.7-33.2-175.667.8-177.7000111.8T71 A74 F90 G98 I115T71-I94 HydrophobicContact CG2-CD1 4.47Å; A74-I94 HydrophobicContact CB-CD1 3.96Å; A74-I94 HydrophobicContact CB-CG1 3.64Å; F90-I94 HydrophobicContact CD1-CD1 4.16Å; F90-I94 HydrophobicContact CD2-CG2 4.1Å; F90-I94 HydrophobicContact CE1-CD1 3.84Å; F90-I94 HydrophobicContact CE1-CG2 4.08Å; F90-I94 HydrophobicContact CE2-CG2 3.61Å; F90-I94 HydrophobicContact CZ-CD1 4.36Å; F90-I94 HydrophobicContact CZ-CG2 3.6Å; F90-I94 WeakPolarHBondContact O-CG1 3.26Å; F90-I94 PolarHBondContact O-N 2.89Å; I94-G98 PolarHBondContact O-N 2.96Å; I94-I115 HydrophobicContact CB-CG2 4.28Å; I94-I115 HydrophobicContact CD1-CG2 3.78Å; I94-I115 HydrophobicContact CG1-CG2 3.92Å
95G96Very high94.2Very high0 Ų046.3 Ų46.30%023%0.234CC..Hα-helixtrans-67.7-41.4174.600000112.3P91 L93 R99P91-G95 WeakPolarHBondContact O-CA 3.28Å; P91-G95 PolarHBondContact O-N 3.33Å; L93-G95 VanDerWaalsContact C-N 3.32Å; L93-G95 PolarHBondContact O-N 2.93Å; G95-R99 VanDerWaalsContact C-CZ 3.43Å; G95-R99 WeakPolarHBondContact O-CB 3.32Å; G95-R99 WeakPolarHBondContact O-CG 3.5Å; G95-R99 PolarHBondContact O-N 2.92Å; G95-R99 PolarHBondContact O-NE 3.05Å; G95-R99 PolarHBondContact O-NH2 2.87Å
96L95.8Very high92.9Very high95 Ų9550.9 Ų50.950%0.49726%0.261SS..Hα-helixtrans-63.3-49.8174.2177.163.2000111M92 L93 G98 R99 M100M92-L96 WeakPolarHBondContact O-CB 3.09Å; M92-L96 PolarHBondContact O-N 3.27Å; L93-L96 PolarHBondContact O-N 3.37Å; L96-G98 PolarHBondContact O-N 2.63Å; L96-R99 PolarHBondContact O-N 3.47Å; L96-M100 HydrophobicContact CD1-CG 4.48Å; L96-M100 HydrophobicContact CD1-SD 4.47Å; L96-M100 HydrophobicContact CG-CE 4.06Å; L96-M100 HydrophobicContact CG-SD 4.5Å; L96-M100 WeakPolarHBondContact O-CG 3.45Å; L96-M100 PolarHBondContact O-N 3.48Å
97L96.2Very high91.6Very high50 Ų5057.7 Ų57.726%0.26229%0.293SS..Hα-helixtrans-61.2-44.1178.3-68.2176.7000111.8L93 R99 M100 A101 C118 S122L93-L97 HydrophobicContact CD1-CD1 3.92Å; L93-L97 HydrophobicContact CD1-CG 4.2Å; L93-L97 HydrophobicContact CG-CD1 4.06Å; L93-L97 WeakPolarHBondContact O-CB 3.49Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.38Å; L97-R99 PolarHBondContact O-N 3.24Å; L97-M100 HydrophobicContact CD2-CE 3.56Å; L97-M100 HydrophobicContact CG-CE 4.46Å; L97-M100 PolarHBondContact O-N 2.99Å; L97-A101 WeakPolarHBondContact O-CB 3.33Å; L97-A101 PolarHBondContact O-N 3.11Å; L97-C118 HydrophobicContact CB-CB 3.77Å; L97-S122 WeakPolarHBondContact CD1-OG 3.2Å
98G95.1Very high90.9Very high0 Ų060.6 Ų60.60%031%0.314CS..Hα-helixtrans-61.4-44177.500000112.5I94 L96 M100 A101 L102I94-G98 PolarHBondContact O-N 2.96Å; L96-G98 PolarHBondContact O-N 2.63Å; G98-M100 VanDerWaalsContact C-N 3.34Å; G98-M100 PolarHBondContact O-N 3.05Å; G98-A101 PolarHBondContact O-N 3.24Å; G98-L102 WeakPolarHBondContact O-CB 3.19Å; G98-L102 PolarHBondContact O-N 3.39Å
99R93.9Very high90.4Very high59 Ų5960.9 Ų60.922%0.22332%0.315CS..Hα-helixtrans-64.8-35.6174.6-76.2-179.2-77.2-86.31.9112.8A74 G95 L96 L97 R103 L111A74-R99 PolarHBondContact O-NH1 3.33Å; G95-R99 VanDerWaalsContact C-CZ 3.43Å; G95-R99 WeakPolarHBondContact O-CB 3.32Å; G95-R99 WeakPolarHBondContact O-CG 3.5Å; G95-R99 PolarHBondContact O-N 2.92Å; G95-R99 PolarHBondContact O-NE 3.05Å; G95-R99 PolarHBondContact O-NH2 2.87Å; L96-R99 PolarHBondContact O-N 3.47Å; L97-R99 PolarHBondContact O-N 3.24Å; R99-R103 PolarHBondContact O-N 3.32Å; R99-L111 HydrophobicContact CG-CD1 3.8Å
100M93.5Very high90.1Very high89 Ų8961.5 Ų61.544%0.43832%0.318SS..Hα-helixtrans-69.6-43173.9-71-170.7-57.300111.9L96 L97 G98 L102 R103 V104L96-M100 HydrophobicContact CD1-CG 4.48Å; L96-M100 HydrophobicContact CD1-SD 4.47Å; L96-M100 HydrophobicContact CG-CE 4.06Å; L96-M100 HydrophobicContact CG-SD 4.5Å; L96-M100 WeakPolarHBondContact O-CG 3.45Å; L96-M100 PolarHBondContact O-N 3.48Å; L97-M100 HydrophobicContact CD2-CE 3.56Å; L97-M100 HydrophobicContact CG-CE 4.46Å; L97-M100 PolarHBondContact O-N 2.99Å; G98-M100 VanDerWaalsContact C-N 3.34Å; G98-M100 PolarHBondContact O-N 3.05Å; M100-L102 VanDerWaalsContact C-N 3.3Å; M100-L102 PolarHBondContact O-N 3.47Å; M100-R103 WeakPolarHBondContact O-CB 3.42Å; M100-R103 PolarHBondContact O-N 2.89Å; M100-V104 PolarHBondContact O-N 3.38Å
101A91.9Very high89.8Confident31 Ų3163.5 Ų63.526%0.25633%0.329SS..Hα-helixtrans-60-41.7176.600000111.4L97 G98 R103 V104 S105 A114L97-A101 WeakPolarHBondContact O-CB 3.33Å; L97-A101 PolarHBondContact O-N 3.11Å; G98-A101 PolarHBondContact O-N 3.24Å; A101-R103 VanDerWaalsContact C-N 3.29Å; A101-R103 PolarHBondContact O-N 3.37Å; A101-V104 PolarHBondContact O-N 2.89Å; A101-S105 WeakPolarHBondContact O-CB 3.41Å; A101-S105 PolarHBondContact O-N 3.41Å; A101-S105 PolarHBondContact O-OG 3.03Å; A101-S105 VanDerWaalsContact O-OG 3.12Å; A101-A114 HydrophobicContact CB-CB 4.46Å
102L90.5Very high89.5Confident51 Ų5164.6 Ų64.627%0.26734%0.337SS..Hα-helixtrans-60.3-36.2177.5-174.761.9000113G98 M100 V104 L109G98-L102 WeakPolarHBondContact O-CB 3.19Å; G98-L102 PolarHBondContact O-N 3.39Å; M100-L102 VanDerWaalsContact C-N 3.3Å; M100-L102 PolarHBondContact O-N 3.47Å; L102-V104 VanDerWaalsContact C-N 3.26Å; L102-V104 PolarHBondContact O-N 2.85Å; L102-L109 WeakPolarHBondContact CD1-O 3.13Å
103R88.5Confident89.4Confident219 Ų21959.1 Ų59.183%0.82631%0.31SS*.Hα-helixtrans-66.3-29.1175.1-69.4-177.5-177.1175.50.7112.5R99 M100 A101R99-R103 PolarHBondContact O-N 3.32Å; M100-R103 WeakPolarHBondContact O-CB 3.42Å; M100-R103 PolarHBondContact O-N 2.89Å; A101-R103 VanDerWaalsContact C-N 3.29Å; A101-R103 PolarHBondContact O-N 3.37Å
104V86.8Confident89.2Confident120 Ų12056.8 Ų56.873%0.72730%0.297SS*.Hα-helixtrans-88.6-39.4-179178.90000111.6M100 A101 L102 V106M100-V104 PolarHBondContact O-N 3.38Å; A101-V104 PolarHBondContact O-N 2.89Å; L102-V104 VanDerWaalsContact C-N 3.26Å; L102-V104 PolarHBondContact O-N 2.85Å; V104-V106 PolarHBondContact O-N 3.43Å
105S77.8Confident89.1Confident37 Ų3756.8 Ų56.826%0.25930%0.297SS..THydrogen-bonded Turntrans-83.116.1-17267.30000115.2A101 H107 S108A101-S105 WeakPolarHBondContact O-CB 3.41Å; A101-S105 PolarHBondContact O-N 3.41Å; A101-S105 PolarHBondContact O-OG 3.03Å; A101-S105 VanDerWaalsContact O-OG 3.12Å; S105-H107 PolarHBondContact O-N 2.85Å; S105-H107 VanDerWaalsContact O-N 3.13Å; S105-S108 PolarHBondContact O-N 3.41Å; S105-S108 VanDerWaalsContact O-N 3.16Å
106V68.7Low89.1Confident113 Ų11357.7 Ų57.769%0.68530%0.302SS*.THydrogen-bonded Turntrans35.560.7175.9-163.80000113V104 S108V104-V106 PolarHBondContact O-N 3.43Å; V106-S108 VanDerWaalsContact C-N 3.26Å; V106-S108 PolarHBondContact O-N 3.03Å; V106-S108 VanDerWaalsContact O-N 3.08Å
107H68.2Low89.1Confident159 Ų15955.7 Ų55.774%0.73629%0.292SS*.THydrogen-bonded Turntrans62.611.7171.4-51.390.1000117.8S105 L109S105-H107 PolarHBondContact O-N 2.85Å; S105-H107 VanDerWaalsContact O-N 3.13Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.85Å
108S82.4Confident89.1Confident65 Ų6554.1 Ų54.146%0.45529%0.285SS..SBendtrans-74.5-17.1177-63.20000114.3S105 V106S105-S108 PolarHBondContact O-N 3.41Å; S105-S108 VanDerWaalsContact O-N 3.16Å; V106-S108 VanDerWaalsContact C-N 3.26Å; V106-S108 PolarHBondContact O-N 3.03Å; V106-S108 VanDerWaalsContact O-N 3.08Å
109L86.9Confident89.2Confident22 Ų2254.1 Ų54.112%0.11529%0.285CS..SBendtrans-122.7140.8-177-67.9173000109.8V51 T55 L102 H107V51-L109 HydrophobicContact CG1-CD2 3.86Å; T55-L109 HydrophobicContact CG2-CD2 4.44Å; L102-L109 WeakPolarHBondContact CD1-O 3.13Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.85Å
110S91.2Very high89.3Confident14 Ų1452.9 Ų52.910%0.09828%0.281CS..  trans-67.9160.5164.466.40000110.6D52 S112 S113 A114D52-S110 WeakPolarHBondContact OD1-CB 3.39Å; D52-S110 PolarHBondContact OD1-N 2.88Å; D52-S110 PolarHBondContact OD1-OG 3.47Å; S110-S112 PolarHBondContact O-N 3.13Å; S110-S113 PolarHBondContact O-N 3.46Å; S110-S113 PolarHBondContact OG-N 3.17Å; S110-S113 PolarHBondContact OG-OG 3.15Å; S110-A114 PolarHBondContact O-N 2.85Å
111L92.1Very high89.5Confident42 Ų4252.8 Ų52.822%0.2228%0.282CS..Hα-helixtrans-58-41.2174.4179.161.7000111.2N75 R99 S113 A114 I115N75-L111 WeakPolarHBondContact OD1-CD2 3.28Å; N75-L111 VanDerWaalsContact OD1-CG 3.3Å; N75-L111 WeakPolarHBondContact OD1-CG 3.2Å; R99-L111 HydrophobicContact CG-CD1 3.8Å; L111-S113 PolarHBondContact O-N 3.01Å; L111-A114 PolarHBondContact O-N 2.94Å; L111-I115 HydrophobicContact CD1-CD1 4.09Å; L111-I115 HydrophobicContact CD1-CG1 4.28Å; L111-I115 HydrophobicContact CG-CD1 3.86Å; L111-I115 HydrophobicContact CG-CG1 4.48Å; L111-I115 VanDerWaalsContact O-CG1 3.32Å; L111-I115 WeakPolarHBondContact O-CG1 3.29Å; L111-I115 PolarHBondContact O-N 2.79Å
112S92.8Very high89.8Confident25 Ų2552.1 Ų52.118%0.17528%0.275CS..Hα-helixtrans-58.1-47.4176.6-67.80000112.1N75 S110 I115 L116N75-S112 PolarHBondContact ND2-OG 3.15Å; N75-S112 VanDerWaalsContact ND2-OG 3.14Å; S110-S112 PolarHBondContact O-N 3.13Å; S112-I115 PolarHBondContact O-N 3.45Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.32Å
113S93.8Very high90.2Very high0 Ų049.7 Ų49.70%026%0.263CS..Hα-helixtrans-67-37.7176.7-64.50000113.2D52 R56 S110 L111 I115 L116 L117D52-S113 VanDerWaalsContact CG-OG 3.31Å; D52-S113 WeakPolarHBondContact OD1-CB 3.5Å; D52-S113 PolarHBondContact OD1-OG 3.22Å; R56-S113 VanDerWaalsContact CG-OG 3.26Å; R56-S113 WeakPolarHBondContact CG-OG 3.36Å; S110-S113 PolarHBondContact O-N 3.46Å; S110-S113 PolarHBondContact OG-N 3.17Å; S110-S113 PolarHBondContact OG-OG 3.15Å; L111-S113 PolarHBondContact O-N 3.01Å; S113-I115 VanDerWaalsContact C-N 3.33Å; S113-L116 PolarHBondContact O-N 3.5Å; S113-L117 PolarHBondContact O-N 2.99Å
114A94.3Very high90.6Very high1 Ų140.9 Ų40.91%0.00823%0.231CC..Hα-helixtrans-62.4-42174.500000111.2A101 S110 L111 L117 C118A101-A114 HydrophobicContact CB-CB 4.46Å; S110-A114 PolarHBondContact O-N 2.85Å; L111-A114 PolarHBondContact O-N 2.94Å; A114-L117 PolarHBondContact O-N 3.38Å; A114-C118 VanDerWaalsContact O-CB 3.24Å; A114-C118 WeakPolarHBondContact O-CB 3.47Å; A114-C118 PolarHBondContact O-N 2.89Å; A114-C118 PolarHBondContact O-SG 3.07Å
115I95.6Very high91.1Very high0 Ų039.6 Ų39.60%022%0.223CC..Hα-helixtrans-63.3-43.1174.6-72166.8000111.2T71 A74 N75 I94 L111 S112 S113 G119T71-I115 HydrophobicContact CG2-CG2 4.07Å; A74-I115 HydrophobicContact CB-CD1 3.93Å; A74-I115 HydrophobicContact CB-CG2 4.2Å; N75-I115 HydrophobicContact CB-CD1 4.42Å; N75-I115 VanDerWaalsContact OD1-CD1 3.24Å; N75-I115 WeakPolarHBondContact OD1-CD1 3.45Å; I94-I115 HydrophobicContact CB-CG2 4.28Å; I94-I115 HydrophobicContact CD1-CG2 3.78Å; I94-I115 HydrophobicContact CG1-CG2 3.92Å; L111-I115 HydrophobicContact CD1-CD1 4.09Å; L111-I115 HydrophobicContact CD1-CG1 4.28Å; L111-I115 HydrophobicContact CG-CD1 3.86Å; L111-I115 HydrophobicContact CG-CG1 4.48Å; L111-I115 VanDerWaalsContact O-CG1 3.32Å; L111-I115 WeakPolarHBondContact O-CG1 3.29Å; L111-I115 PolarHBondContact O-N 2.79Å; S112-I115 PolarHBondContact O-N 3.45Å; S113-I115 VanDerWaalsContact C-N 3.33Å; I115-G119 WeakPolarHBondContact O-CA 3.29Å; I115-G119 PolarHBondContact O-N 2.92Å
116L95.5Very high92.1Very high19 Ų1938.9 Ų38.910%0.09922%0.216CC..Hα-helixtrans-57.5-52.1176.6-72.7176.8000111.6R56 F59 C63 T71 S112 S113 G119 F120 L167R56-L116 HydrophobicContact CG-CD1 4.06Å; F59-L116 HydrophobicContact CB-CB 4.4Å; C63-L116 HydrophobicContact CB-CD2 3.45Å; C63-L116 VanDerWaalsContact CB-CD2 3.45Å; T71-L116 HydrophobicContact CG2-CD2 4.33Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.32Å; S113-L116 PolarHBondContact O-N 3.5Å; L116-G119 PolarHBondContact O-N 2.91Å; L116-F120 PolarHBondContact O-N 3.49Å; L116-L167 HydrophobicContact CD2-CD2 4.05Å
117L94.8Very high93.5Very high53 Ų5333.6 Ų33.628%0.27718%0.184SC..Hα-helixtrans-63.6-49.1-180179.663.1000111.7T55 F59 S113 A114 G119 F120 L121T55-L117 HydrophobicContact CG2-CB 4.5Å; F59-L117 HydrophobicContact CE2-CD1 3.75Å; F59-L117 HydrophobicContact CZ-CD1 3.72Å; S113-L117 PolarHBondContact O-N 2.99Å; A114-L117 PolarHBondContact O-N 3.38Å; L117-G119 VanDerWaalsContact C-N 3.3Å; L117-G119 PolarHBondContact O-N 3.41Å; L117-F120 PolarHBondContact O-N 2.65Å; L117-L121 HydrophobicContact CD1-CD1 4.07Å; L117-L121 HydrophobicContact CD1-CG 4.28Å; L117-L121 HydrophobicContact CG-CD1 4.05Å; L117-L121 WeakPolarHBondContact O-CB 3.43Å; L117-L121 VanDerWaalsContact O-CG 3.32Å; L117-L121 WeakPolarHBondContact O-CG 3.42Å; L117-L121 PolarHBondContact O-N 3.18Å
118C96.1Very high94.9Very high18 Ų1827 Ų2712%0.12215%0.154CC..Hα-helixtrans-63.1-37.3178.7-72.80000112L97 A114 S122L97-C118 HydrophobicContact CB-CB 3.77Å; A114-C118 VanDerWaalsContact O-CB 3.24Å; A114-C118 WeakPolarHBondContact O-CB 3.47Å; A114-C118 PolarHBondContact O-N 2.89Å; A114-C118 PolarHBondContact O-SG 3.07Å; C118-S122 WeakPolarHBondContact O-CB 3.36Å; C118-S122 PolarHBondContact O-N 3.19Å; C118-S122 PolarHBondContact O-OG 2.54Å
119G97.5Very high95.6Very high0 Ų025.4 Ų25.40%015%0.145CC..Hα-helixtrans-65.1-48.4176.900000112.2I115 L116 L117 S122 N123I115-G119 WeakPolarHBondContact O-CA 3.29Å; I115-G119 PolarHBondContact O-N 2.92Å; L116-G119 PolarHBondContact O-N 2.91Å; L117-G119 VanDerWaalsContact C-N 3.3Å; L117-G119 PolarHBondContact O-N 3.41Å; G119-S122 PolarHBondContact O-N 2.9Å; G119-N123 PolarHBondContact O-N 3.33Å
120F97.3Very high96.1Very high32 Ų3224.4 Ų24.414%0.1414%0.139CC..Hα-helixtrans-57-51.9174.2170.5-96.8000111.7A23 F59 F62 L116 L117 S122 N123 F124A23-F120 HydrophobicContact CB-CE2 4.05Å; A23-F120 HydrophobicContact CB-CZ 4.23Å; F59-F120 HydrophobicContact CD1-CB 3.92Å; F59-F120 HydrophobicContact CD1-CD1 4.22Å; F59-F120 HydrophobicContact CD1-CD2 4.15Å; F59-F120 AromaticContact CD1-CG 3.83Å; F59-F120 HydrophobicContact CD1-CG 3.83Å; F59-F120 HydrophobicContact CE1-CB 3.96Å; F59-F120 AromaticContact CE1-CD1 3.41Å; F59-F120 HydrophobicContact CE1-CD1 3.41Å; F59-F120 VanDerWaalsContact CE1-CD1 3.41Å; F59-F120 HydrophobicContact CE1-CD2 4Å; F59-F120 AromaticContact CE1-CE1 3.85Å; F59-F120 HydrophobicContact CE1-CE1 3.85Å; F59-F120 HydrophobicContact CE1-CE2 4.38Å; F59-F120 AromaticContact CE1-CG 3.5Å; F59-F120 HydrophobicContact CE1-CG 3.5Å; F59-F120 VanDerWaalsContact CE1-CG 3.5Å; F59-F120 HydrophobicContact CE1-CZ 4.31Å; F59-F120 HydrophobicContact CZ-CD1 4.16Å; F62-F120 AromaticContact CD1-CD2 3.97Å; F62-F120 HydrophobicContact CD1-CD2 3.97Å; F62-F120 HydrophobicContact CD1-CE2 4.28Å; F62-F120 HydrophobicContact CD2-CD2 4.18Å; F62-F120 AromaticContact CE1-CD2 3.86Å; F62-F120 HydrophobicContact CE1-CD2 3.86Å; F62-F120 AromaticContact CE1-CE2 3.7Å; F62-F120 HydrophobicContact CE1-CE2 3.7Å; F62-F120 HydrophobicContact CE2-CD2 4.08Å; F62-F120 HydrophobicContact CE2-CE2 4.09Å; F62-F120 HydrophobicContact CG-CD2 4.13Å; F62-F120 AromaticContact CZ-CD2 3.92Å; F62-F120 HydrophobicContact CZ-CD2 3.92Å; F62-F120 AromaticContact CZ-CE2 3.59Å; F62-F120 HydrophobicContact CZ-CE2 3.59Å; L116-F120 PolarHBondContact O-N 3.49Å; L117-F120 PolarHBondContact O-N 2.65Å; F120-S122 VanDerWaalsContact C-N 3.33Å; F120-S122 PolarHBondContact O-N 2.83Å; F120-N123 PolarHBondContact O-N 2.96Å; F120-F124 HydrophobicContact CZ-CD2 4.34Å; F120-F124 WeakPolarHBondContact O-CB 3.41Å; F120-F124 PolarHBondContact O-N 2.91Å
121L96.9Very high96.5Very high88 Ų8823.7 Ų23.746%0.46113%0.134SC..Hα-helixtrans-62.3-41.2-179.4-69.7174.9000111.9L117 F124 V125L117-L121 HydrophobicContact CD1-CD1 4.07Å; L117-L121 HydrophobicContact CD1-CG 4.28Å; L117-L121 HydrophobicContact CG-CD1 4.05Å; L117-L121 WeakPolarHBondContact O-CB 3.43Å; L117-L121 VanDerWaalsContact O-CG 3.32Å; L117-L121 WeakPolarHBondContact O-CG 3.42Å; L117-L121 PolarHBondContact O-N 3.18Å; L121-F124 PolarHBondContact O-N 3.31Å; L121-V125 WeakPolarHBondContact O-CG2 3.16Å; L121-V125 PolarHBondContact O-N 2.89Å
122S97.9Very high96.7Very high16 Ų1622.3 Ų22.311%0.11213%0.127CC..Hα-helixtrans-60.9-51177.3-62.60000110.8L97 C118 G119 F120 F124 V125 L126L97-S122 WeakPolarHBondContact CD1-OG 3.2Å; C118-S122 WeakPolarHBondContact O-CB 3.36Å; C118-S122 PolarHBondContact O-N 3.19Å; C118-S122 PolarHBondContact O-OG 2.54Å; G119-S122 PolarHBondContact O-N 2.9Å; F120-S122 VanDerWaalsContact C-N 3.33Å; F120-S122 PolarHBondContact O-N 2.83Å; S122-F124 VanDerWaalsContact C-N 3.33Å; S122-F124 PolarHBondContact O-N 3.25Å; S122-V125 PolarHBondContact O-N 2.88Å; S122-L126 VanDerWaalsContact O-CB 3.27Å; S122-L126 WeakPolarHBondContact O-CB 3.37Å; S122-L126 WeakPolarHBondContact O-CD1 3.32Å; S122-L126 WeakPolarHBondContact O-CG 2.85Å; S122-L126 PolarHBondContact O-N 2.73Å
123N98.2Very high96.9Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-63.5-40.7179.1-82-7.3000111.4F90 G119 F120 V125 L126 N127 S166 Y168F90-N123 VanDerWaalsContact CE2-OD1 3.28Å; F90-N123 WeakPolarHBondContact CE2-OD1 3.25Å; G119-N123 PolarHBondContact O-N 3.33Å; F120-N123 PolarHBondContact O-N 2.96Å; N123-V125 PolarHBondContact O-N 2.89Å; N123-L126 PolarHBondContact O-N 3.46Å; N123-N127 WeakPolarHBondContact O-CB 3.31Å; N123-N127 PolarHBondContact O-N 3.39Å; N123-N127 PolarHBondContact O-ND2 2.86Å; N123-S166 PolarHBondContact ND2-O 3.24Å; N123-Y168 PolarHBondContact ND2-O 3.19Å
124F98Very high97.1Very high35 Ų3522.9 Ų22.915%0.15413%0.127CC..Hα-helixtrans-57.2-49.4174.8-165-89.9000112F16 R19 F120 L121 S122 N127 L128F16-F124 AromaticContact CD2-CE1 3.6Å; F16-F124 HydrophobicContact CD2-CE1 3.6Å; F16-F124 AromaticContact CD2-CZ 3.76Å; F16-F124 HydrophobicContact CD2-CZ 3.76Å; F16-F124 AromaticContact CE2-CE1 3.55Å; F16-F124 HydrophobicContact CE2-CE1 3.55Å; F16-F124 AromaticContact CE2-CZ 3.74Å; F16-F124 HydrophobicContact CE2-CZ 3.74Å; F16-F124 HydrophobicContact CG-CZ 4.42Å; F16-F124 HydrophobicContact CZ-CZ 4.39Å; R19-F124 HydrophobicContact CB-CD2 4.39Å; R19-F124 HydrophobicContact CB-CE2 3.82Å; R19-F124 HydrophobicContact CB-CZ 4.36Å; F120-F124 HydrophobicContact CZ-CD2 4.34Å; F120-F124 WeakPolarHBondContact O-CB 3.41Å; F120-F124 PolarHBondContact O-N 2.91Å; L121-F124 PolarHBondContact O-N 3.31Å; S122-F124 VanDerWaalsContact C-N 3.33Å; S122-F124 PolarHBondContact O-N 3.25Å; F124-N127 PolarHBondContact O-N 3.48Å; F124-L128 HydrophobicContact CD1-CD1 3.94Å; F124-L128 HydrophobicContact CE1-CD1 3.7Å; F124-L128 WeakPolarHBondContact O-CG 3.31Å; F124-L128 PolarHBondContact O-N 3.45Å
125V97.9Very high97.3Very high93 Ų9323.6 Ų23.656%0.56413%0.13SC*.Hα-helixtrans-66-44178172.40000112.1L121 S122 N123 N127 L128 A129L121-V125 WeakPolarHBondContact O-CG2 3.16Å; L121-V125 PolarHBondContact O-N 2.89Å; S122-V125 PolarHBondContact O-N 2.88Å; N123-V125 PolarHBondContact O-N 2.89Å; V125-N127 VanDerWaalsContact C-N 3.31Å; V125-N127 PolarHBondContact O-N 3.43Å; V125-L128 PolarHBondContact O-N 3.49Å; V125-A129 PolarHBondContact O-N 2.83Å
126L98.4Very high97.3Very high21 Ų2125.3 Ų25.311%0.1114%0.136CC..Hα-helixtrans-63.2-36.2-180-73163000112L93 S122 N123 A129 S130 L172 F175L93-L126 HydrophobicContact CD2-CD1 4.42Å; S122-L126 VanDerWaalsContact O-CB 3.27Å; S122-L126 WeakPolarHBondContact O-CB 3.37Å; S122-L126 WeakPolarHBondContact O-CD1 3.32Å; S122-L126 WeakPolarHBondContact O-CG 2.85Å; S122-L126 PolarHBondContact O-N 2.73Å; N123-L126 PolarHBondContact O-N 3.46Å; L126-A129 PolarHBondContact O-N 3.17Å; L126-S130 VanDerWaalsContact O-CB 3.26Å; L126-S130 WeakPolarHBondContact O-CB 3.41Å; L126-S130 PolarHBondContact O-N 3.08Å; L126-S130 PolarHBondContact O-OG 3.11Å; L126-L172 HydrophobicContact CD1-CB 3.95Å; L126-L172 HydrophobicContact CD1-CD1 3.67Å; L126-L172 HydrophobicContact CD1-CG 4.41Å; L126-L172 HydrophobicContact CD2-CD1 3.87Å; L126-L172 HydrophobicContact CG-CD1 4.45Å; L126-F175 HydrophobicContact CD2-CB 4.02Å; L126-F175 HydrophobicContact CD2-CD1 3.7Å; L126-F175 HydrophobicContact CD2-CD2 4.38Å; L126-F175 HydrophobicContact CD2-CE1 4.28Å; L126-F175 HydrophobicContact CD2-CG 3.76Å
127N97.4Very high97.4Very high2 Ų224.4 Ų24.41%0.01113%0.131CC..Hα-helixtrans-64.5-44.7173.5-79.7-58.7000112.1N123 F124 V125 S130 T131 F155 F164 S171N123-N127 WeakPolarHBondContact O-CB 3.31Å; N123-N127 PolarHBondContact O-N 3.39Å; N123-N127 PolarHBondContact O-ND2 2.86Å; F124-N127 PolarHBondContact O-N 3.48Å; V125-N127 VanDerWaalsContact C-N 3.31Å; V125-N127 PolarHBondContact O-N 3.43Å; N127-S130 PolarHBondContact O-N 3.38Å; N127-T131 PolarHBondContact O-N 3.3Å; N127-T131 PolarHBondContact O-OG1 3.15Å; N127-F155 WeakPolarHBondContact O-CE1 3.49Å; N127-F164 PolarHBondContact ND2-O 3.18Å; N127-F164 WeakPolarHBondContact OD1-CB 3.03Å; N127-F164 WeakPolarHBondContact OD1-CD1 3.47Å; N127-S171 VanDerWaalsContact CG-OG 3.29Å; N127-S171 PolarHBondContact ND2-OG 3.29Å; N127-S171 PolarHBondContact OD1-OG 2.83Å; N127-S171 VanDerWaalsContact OD1-OG 3.11Å
128L97.6Very high97.5Very high22 Ų2221.9 Ų21.912%0.11512%0.118CC..Hα-helixtrans-62.7-44177.3-68.5178.3000111.3L12 A15 F16 F124 V125 T131 V132L12-L128 HydrophobicContact CD1-CB 3.75Å; L12-L128 HydrophobicContact CD1-CD2 4.18Å; L12-L128 HydrophobicContact CD1-CG 4.42Å; A15-L128 HydrophobicContact CB-CD2 3.91Å; F16-L128 HydrophobicContact CB-CD2 4.22Å; F16-L128 HydrophobicContact CD2-CD1 4.09Å; F124-L128 HydrophobicContact CD1-CD1 3.94Å; F124-L128 HydrophobicContact CE1-CD1 3.7Å; F124-L128 WeakPolarHBondContact O-CG 3.31Å; F124-L128 PolarHBondContact O-N 3.45Å; V125-L128 PolarHBondContact O-N 3.49Å; L128-T131 WeakPolarHBondContact O-CB 3.47Å; L128-T131 PolarHBondContact O-N 3.29Å; L128-V132 PolarHBondContact O-N 2.88Å
129A97.5Very high97.5Very high31 Ų3123 Ų2326%0.25612%0.124SC..Hα-helixtrans-61.9-45.1174.400000111.9V125 L126 T131 V132 F133 F175V125-A129 PolarHBondContact O-N 2.83Å; L126-A129 PolarHBondContact O-N 3.17Å; A129-T131 VanDerWaalsContact C-N 3.26Å; A129-T131 PolarHBondContact O-N 2.92Å; A129-V132 PolarHBondContact O-N 3.46Å; A129-V132 VanDerWaalsContact O-N 3.16Å; A129-F133 WeakPolarHBondContact O-CD2 3.17Å; A129-F133 PolarHBondContact O-N 3.45Å; A129-F175 HydrophobicContact CB-CD2 3.88Å; A129-F175 HydrophobicContact CB-CE2 3.73Å
130S98.3Very high97.4Very high0 Ų026.8 Ų26.80%014%0.143CC..Hα-helixtrans-59.8-36.9177.4-62.40000112.5L126 N127 V132 F133 L134 F175L126-S130 VanDerWaalsContact O-CB 3.26Å; L126-S130 WeakPolarHBondContact O-CB 3.41Å; L126-S130 PolarHBondContact O-N 3.08Å; L126-S130 PolarHBondContact O-OG 3.11Å; N127-S130 PolarHBondContact O-N 3.38Å; S130-V132 VanDerWaalsContact C-N 3.32Å; S130-V132 PolarHBondContact O-N 3.49Å; S130-F133 PolarHBondContact O-N 3.27Å; S130-L134 VanDerWaalsContact O-CB 3.26Å; S130-L134 WeakPolarHBondContact O-CB 3.21Å; S130-L134 PolarHBondContact O-N 3.1Å; S130-F175 VanDerWaalsContact OG-CA 3.27Å; S130-F175 WeakPolarHBondContact OG-CA 3.2Å; S130-F175 WeakPolarHBondContact OG-CB 3.42Å; S130-F175 PolarHBondContact OG-N 3.08Å
131T97.8Very high97.3Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-59.9-43.3177-57.20000111.3L11 A15 N127 L128 A129 Y135 S152 F155L11-T131 HydrophobicContact CD1-CG2 4.14Å; L11-T131 HydrophobicContact CD2-CG2 4.03Å; L11-T131 HydrophobicContact CG-CG2 3.83Å; A15-T131 HydrophobicContact CB-CG2 3.9Å; N127-T131 PolarHBondContact O-N 3.3Å; N127-T131 PolarHBondContact O-OG1 3.15Å; L128-T131 WeakPolarHBondContact O-CB 3.47Å; L128-T131 PolarHBondContact O-N 3.29Å; A129-T131 VanDerWaalsContact C-N 3.26Å; A129-T131 PolarHBondContact O-N 2.92Å; T131-Y135 PolarHBondContact O-N 3.3Å; T131-Y135 VanDerWaalsContact O-N 3.12Å; T131-S152 PolarHBondContact O-OG 2.95Å; T131-F155 WeakPolarHBondContact OG1-CD1 2.86Å; T131-F155 WeakPolarHBondContact OG1-CE1 3.45Å
132V96.7Very high97.1Very high12 Ų1223 Ų237%0.07313%0.125CC..Hα-helixtrans-68.6-45.2177.9177.30000110.9L4 E8 L12 L128 A129 S130 Y135 R136L4-V132 HydrophobicContact CD2-CG1 3.96Å; L4-V132 HydrophobicContact CD2-CG2 4.28Å; E8-V132 HydrophobicContact CG-CG1 4.46Å; L12-V132 HydrophobicContact CD1-CG2 4Å; L128-V132 PolarHBondContact O-N 2.88Å; A129-V132 PolarHBondContact O-N 3.46Å; A129-V132 VanDerWaalsContact O-N 3.16Å; S130-V132 VanDerWaalsContact C-N 3.32Å; S130-V132 PolarHBondContact O-N 3.49Å; V132-Y135 WeakPolarHBondContact O-CB 3.49Å; V132-Y135 PolarHBondContact O-N 3.49Å; V132-R136 HydrophobicContact CG1-CG 4.48Å; V132-R136 WeakPolarHBondContact O-CG 3.44Å; V132-R136 PolarHBondContact O-N 3.28Å
133F97.9Very high96.9Very high37 Ų3725.5 Ų25.516%0.16215%0.153CC..Hα-helixtrans-66.5-37.9178.4-81.7-75.4000112.8A129 S130 Y135 R136 L137 F175 I178 Y182 F183A129-F133 WeakPolarHBondContact O-CD2 3.17Å; A129-F133 PolarHBondContact O-N 3.45Å; S130-F133 PolarHBondContact O-N 3.27Å; F133-Y135 VanDerWaalsContact C-N 3.29Å; F133-Y135 PolarHBondContact O-N 3.46Å; F133-R136 PolarHBondContact O-N 3.15Å; F133-L137 VanDerWaalsContact O-CB 3.29Å; F133-L137 WeakPolarHBondContact O-CB 3.5Å; F133-L137 PolarHBondContact O-N 3.23Å; F133-F175 HydrophobicContact CD2-CD2 4.39Å; F133-F175 AromaticContact CD2-CE2 3.9Å; F133-F175 HydrophobicContact CD2-CE2 3.9Å; F133-F175 AromaticContact CE2-CE2 3.75Å; F133-F175 HydrophobicContact CE2-CE2 3.75Å; F133-F175 HydrophobicContact CE2-CZ 4.4Å; F133-I178 HydrophobicContact CB-CG1 4.36Å; F133-I178 HydrophobicContact CB-CG2 3.61Å; F133-Y182 AromaticContact CD1-CD1 3.72Å; F133-Y182 HydrophobicContact CD1-CD1 3.72Å; F133-Y182 HydrophobicContact CD1-CE1 4.31Å; F133-Y182 AromaticContact CD1-CG 3.9Å; F133-Y182 HydrophobicContact CD1-CG 3.9Å; F133-Y182 AromaticContact CE1-CD1 3.57Å; F133-Y182 HydrophobicContact CE1-CD1 3.57Å; F133-Y182 AromaticContact CE1-CE1 3.94Å; F133-Y182 HydrophobicContact CE1-CE1 3.94Å; F133-Y182 HydrophobicContact CE1-CG 4.24Å; F133-F183 HydrophobicContact CE1-CE2 4Å; F133-F183 HydrophobicContact CE1-CZ 4.48Å; F133-F183 HydrophobicContact CZ-CE2 4.25Å
134L98.3Very high96.6Very high0 Ų027.2 Ų27.20%017%0.165CC..Hα-helixtrans-62.4-38.8174.4179.862000111.5S130 G138 F155 F174 I178 P433 Y436 W437S130-L134 VanDerWaalsContact O-CB 3.26Å; S130-L134 WeakPolarHBondContact O-CB 3.21Å; S130-L134 PolarHBondContact O-N 3.1Å; L134-G138 PolarHBondContact O-N 2.84Å; L134-F155 HydrophobicContact CD2-CB 3.45Å; L134-F155 VanDerWaalsContact CD2-CB 3.45Å; L134-F155 HydrophobicContact CD2-CD2 4.41Å; L134-F155 HydrophobicContact CD2-CG 3.9Å; L134-F174 HydrophobicContact CD1-CZ 4.3Å; L134-F174 HydrophobicContact CD2-CE1 4.46Å; L134-F174 HydrophobicContact CD2-CZ 4.19Å; L134-I178 HydrophobicContact CB-CD1 4.44Å; L134-I178 HydrophobicContact CB-CG1 4.15Å; L134-I178 HydrophobicContact CD1-CD1 3.68Å; L134-I178 HydrophobicContact CD1-CG1 4.33Å; L134-P433 HydrophobicContact CD1-CB 3.74Å; L134-Y436 HydrophobicContact CD2-CD2 3.94Å; L134-Y436 HydrophobicContact CD2-CG 4.17Å; L134-W437 HydrophobicContact CD1-CZ2 4.33Å
135Y97.2Very high96.2Very high17 Ų1728.5 Ų28.57%0.06718%0.175CC..Hα-helixtrans-64-53.1175.2166.4-100.8000110.5V7 E8 L11 T131 V132 F133 L137 G138 V139 V145 F149 S152V7-Y135 HydrophobicContact CG1-CE2 4.04Å; E8-Y135 HydrophobicContact CG-CD1 3.64Å; E8-Y135 HydrophobicContact CG-CE1 3.56Å; L11-Y135 HydrophobicContact CD2-CD2 4.11Å; L11-Y135 HydrophobicContact CD2-CG 3.85Å; T131-Y135 PolarHBondContact O-N 3.3Å; T131-Y135 VanDerWaalsContact O-N 3.12Å; V132-Y135 WeakPolarHBondContact O-CB 3.49Å; V132-Y135 PolarHBondContact O-N 3.49Å; F133-Y135 VanDerWaalsContact C-N 3.29Å; F133-Y135 PolarHBondContact O-N 3.46Å; Y135-L137 PolarHBondContact O-N 2.97Å; Y135-G138 PolarHBondContact O-N 3.33Å; Y135-V139 HydrophobicContact CD2-CG2 4.13Å; Y135-V139 HydrophobicContact CE1-CG2 4.34Å; Y135-V139 HydrophobicContact CE2-CG2 3.71Å; Y135-V139 WeakPolarHBondContact O-CG2 3.13Å; Y135-V139 PolarHBondContact O-N 3.39Å; Y135-V145 HydrophobicContact CE2-CG1 4.34Å; Y135-F149 HydrophobicContact CD2-CB 4.37Å; Y135-F149 HydrophobicContact CE2-CB 4.28Å; Y135-S152 WeakPolarHBondContact CA-OG 3.45Å; Y135-S152 WeakPolarHBondContact CB-OG 3.48Å; Y135-S152 PolarHBondContact N-OG 2.99Å
136R97Very high95.8Very high36 Ų3628.1 Ų28.114%0.13617%0.166CC..Hα-helixtrans-59-46.7-179.1-72.1179.4176.5-164.6-5.7112.2M1 G3 E8 V132 F133 M140 Y182M1-R136 PolarHBondContact O-NH1 3Å; G3-R136 PolarHBondContact O-NH2 3.37Å; E8-R136 WeakPolarHBondContact OE1-CG 3.41Å; E8-R136 IonicContact OE1-CZ 3.68Å; E8-R136 IonicContact OE1-NE 3.16Å; E8-R136 PolarHBondContact OE1-NE 2.62Å; E8-R136 IonicContact OE1-NH2 2.89Å; E8-R136 PolarHBondContact OE1-NH2 3.22Å; E8-R136 IonicContact OE2-CZ 3.75Å; E8-R136 IonicContact OE2-NE 3.72Å; E8-R136 IonicContact OE2-NH2 2.87Å; E8-R136 PolarHBondContact OE2-NH2 3.3Å; V132-R136 HydrophobicContact CG1-CG 4.48Å; V132-R136 WeakPolarHBondContact O-CG 3.44Å; V132-R136 PolarHBondContact O-N 3.28Å; F133-R136 PolarHBondContact O-N 3.15Å; R136-M140 WeakPolarHBondContact O-CB 3.41Å; R136-M140 PolarHBondContact O-N 2.86Å; R136-Y182 HydrophobicContact CB-CD2 3.86Å; R136-Y182 HydrophobicContact CB-CE2 3.55Å; R136-Y182 HydrophobicContact CG-CE2 4.36Å
137L97.6Very high95.6Very high0 Ų027.5 Ų27.50%016%0.163CC..Hα-helixtrans-63.9-43.8176.8-177.166.6000110.9F133 Y135 V139 M140 V141 I178 L181 Y185 W437F133-L137 VanDerWaalsContact O-CB 3.29Å; F133-L137 WeakPolarHBondContact O-CB 3.5Å; F133-L137 PolarHBondContact O-N 3.23Å; Y135-L137 PolarHBondContact O-N 2.97Å; L137-V139 PolarHBondContact O-N 3.22Å; L137-M140 PolarHBondContact O-N 3.21Å; L137-V141 HydrophobicContact CD1-CG2 3.91Å; L137-V141 HydrophobicContact CG-CG2 4.2Å; L137-V141 WeakPolarHBondContact O-CB 3.49Å; L137-V141 WeakPolarHBondContact O-CG2 3.26Å; L137-V141 PolarHBondContact O-N 2.97Å; L137-I178 HydrophobicContact CD2-CD1 3.46Å; L137-I178 VanDerWaalsContact CD2-CD1 3.46Å; L137-I178 HydrophobicContact CD2-CG1 4.05Å; L137-L181 HydrophobicContact CD1-CB 4.35Å; L137-L181 HydrophobicContact CD2-CB 3.73Å; L137-L181 HydrophobicContact CD2-CD1 4.21Å; L137-Y185 HydrophobicContact CD1-CD2 3.61Å; L137-Y185 HydrophobicContact CD1-CE2 4.01Å; L137-W437 HydrophobicContact CB-CZ2 4.31Å; L137-W437 HydrophobicContact CD2-CH2 3.78Å; L137-W437 HydrophobicContact CD2-CZ2 3.76Å; L137-W437 HydrophobicContact CG-CH2 3.9Å; L137-W437 HydrophobicContact CG-CZ2 3.75Å
138G96.9Very high95.4Very high0 Ų027.4 Ų27.40%016%0.163CC..Hα-helixtrans-61-42.9178.400000113L134 Y135 M140 V141 L142L134-G138 PolarHBondContact O-N 2.84Å; Y135-G138 PolarHBondContact O-N 3.33Å; G138-M140 VanDerWaalsContact C-N 3.34Å; G138-V141 PolarHBondContact O-N 3.39Å; G138-L142 VanDerWaalsContact O-CB 3.26Å; G138-L142 WeakPolarHBondContact O-CB 3.19Å; G138-L142 WeakPolarHBondContact O-CG 3.44Å; G138-L142 PolarHBondContact O-N 3.15Å
139V95.5Very high95.2Very high41 Ų4126.6 Ų26.625%0.24816%0.158CC..Hα-helixtrans-63.9-40.9174.9174.30000111.2Y135 L137 G143 V145Y135-V139 HydrophobicContact CD2-CG2 4.13Å; Y135-V139 HydrophobicContact CE1-CG2 4.34Å; Y135-V139 HydrophobicContact CE2-CG2 3.71Å; Y135-V139 WeakPolarHBondContact O-CG2 3.13Å; Y135-V139 PolarHBondContact O-N 3.39Å; L137-V139 PolarHBondContact O-N 3.22Å; V139-G143 WeakPolarHBondContact O-CA 3.34Å; V139-G143 PolarHBondContact O-N 3.27Å; V139-V145 HydrophobicContact CG1-CG2 4.48Å; V139-V145 HydrophobicContact CG2-CG2 4.48Å
140M94.9Very high95Very high80 Ų8025.2 Ų25.239%0.39415%0.147SC..Hα-helixtrans-67.6-39.8179.4-172177.2-67.400113R136 L137 G138 Y182 Y185 I186R136-M140 WeakPolarHBondContact O-CB 3.41Å; R136-M140 PolarHBondContact O-N 2.86Å; L137-M140 PolarHBondContact O-N 3.21Å; G138-M140 VanDerWaalsContact C-N 3.34Å; M140-Y182 HydrophobicContact CE-CD2 4.09Å; M140-Y182 HydrophobicContact CE-CE2 3.7Å; M140-Y185 WeakPolarHBondContact SD-CB 3.39Å; M140-Y185 HydrophobicContact SD-CG 4.17Å; M140-I186 HydrophobicContact CE-CD1 3.91Å; M140-I186 HydrophobicContact CE-CG1 3.69Å; M140-I186 HydrophobicContact SD-CG1 4.34Å
141V94.7Very high94.9Very high7 Ų725.2 Ų25.24%0.04215%0.147CC..Hα-helixtrans-82-43.2-176.9167.50000112.2L137 G138 Y185 I400 M401 W437L137-V141 HydrophobicContact CD1-CG2 3.91Å; L137-V141 HydrophobicContact CG-CG2 4.2Å; L137-V141 WeakPolarHBondContact O-CB 3.49Å; L137-V141 WeakPolarHBondContact O-CG2 3.26Å; L137-V141 PolarHBondContact O-N 2.97Å; G138-V141 PolarHBondContact O-N 3.39Å; V141-Y185 HydrophobicContact CG2-CE2 4.27Å; V141-I400 HydrophobicContact CB-CG2 4.3Å; V141-I400 HydrophobicContact CG1-CG2 3.61Å; V141-I400 HydrophobicContact CG2-CG2 4.03Å; V141-M401 HydrophobicContact CG1-SD 3.6Å; V141-M401 VanDerWaalsContact CG1-SD 3.6Å; V141-W437 HydrophobicContact CB-CH2 4.38Å; V141-W437 HydrophobicContact CG1-CH2 4.36Å; V141-W437 HydrophobicContact CG1-CZ3 4.07Å; V141-W437 HydrophobicContact CG2-CH2 4.23Å
142L94.3Very high94.8Very high33 Ų3325.2 Ų25.217%0.17315%0.147CC..Hα-helixtrans-99.1-14.8-172.5-55.5169.8000113.4G138 S144 V147 M401 W437G138-L142 VanDerWaalsContact O-CB 3.26Å; G138-L142 WeakPolarHBondContact O-CB 3.19Å; G138-L142 WeakPolarHBondContact O-CG 3.44Å; G138-L142 PolarHBondContact O-N 3.15Å; L142-S144 PolarHBondContact O-N 2.82Å; L142-V147 HydrophobicContact CD1-CB 4.38Å; L142-V147 HydrophobicContact CD1-CG1 3.57Å; L142-M401 HydrophobicContact CD2-SD 4.21Å; L142-W437 HydrophobicContact CD1-CB 3.72Å; L142-W437 HydrophobicContact CD1-CD2 4.15Å; L142-W437 HydrophobicContact CD1-CG 3.67Å
143G92.4Very high94.8Very high68 Ų6824.7 Ų24.770%0.70114%0.143SC*.  trans69.310.3-176.300000114.8V139V139-G143 WeakPolarHBondContact O-CA 3.34Å; V139-G143 PolarHBondContact O-N 3.27Å
144S91.7Very high94.7Very high37 Ų3722.9 Ų22.926%0.25914%0.136SC..  trans-121.9114.4-174.5178.90000112.8L142 K146 V147 G148L142-S144 PolarHBondContact O-N 2.82Å; S144-K146 VanDerWaalsContact C-N 3.31Å; S144-K146 PolarHBondContact O-N 3.4Å; S144-V147 PolarHBondContact O-N 3.09Å; S144-V147 WeakPolarHBondContact OG-CG2 3.03Å; S144-V147 PolarHBondContact OG-N 2.88Å; S144-G148 PolarHBondContact O-N 3.29Å
145V91.3Very high94.7Very high61 Ų6122.9 Ų22.937%0.3714%0.136SC..Hα-helixtrans-60.6-40.5173.71760000111.5V7 Y135 V139 F149V7-V145 HydrophobicContact CG1-CG1 4.5Å; Y135-V145 HydrophobicContact CE2-CG1 4.34Å; V139-V145 HydrophobicContact CG1-CG2 4.48Å; V139-V145 HydrophobicContact CG2-CG2 4.48Å; V145-F149 VanDerWaalsContact O-CB 3.31Å; V145-F149 WeakPolarHBondContact O-CB 3.32Å; V145-F149 PolarHBondContact O-N 3.28Å
146K89.2Confident94.7Very high85 Ų8522.1 Ų22.137%0.3713%0.132SC..Hα-helixtrans-63.6-49-179.2-66.2-175.5179.6-176.30111.4S144 F149 L150 F450S144-K146 VanDerWaalsContact C-N 3.31Å; S144-K146 PolarHBondContact O-N 3.4Å; K146-F149 PolarHBondContact O-N 2.87Å; K146-L150 WeakPolarHBondContact O-CB 3.35Å; K146-L150 PolarHBondContact O-N 2.9Å; K146-F450 WeakPolarHBondContact CD-O 3.32Å; K146-F450 WeakPolarHBondContact CE-O 3.46Å
147V92.8Very high94.6Very high9 Ų920.4 Ų20.46%0.05513%0.126CC..Hα-helixtrans-67-42.8-180178.80000110.6L142 S144 F149 L150 A151 A440 C444L142-V147 HydrophobicContact CD1-CB 4.38Å; L142-V147 HydrophobicContact CD1-CG1 3.57Å; S144-V147 PolarHBondContact O-N 3.09Å; S144-V147 WeakPolarHBondContact OG-CG2 3.03Å; S144-V147 PolarHBondContact OG-N 2.88Å; V147-F149 PolarHBondContact O-N 3.49Å; V147-L150 PolarHBondContact O-N 3.16Å; V147-A151 WeakPolarHBondContact O-CB 3.25Å; V147-A151 PolarHBondContact O-N 3.27Å; V147-A440 HydrophobicContact CG1-CB 3.9Å; V147-A440 WeakPolarHBondContact O-CB 3.23Å; V147-C444 HydrophobicContact CG2-CB 4.26Å
148G94.3Very high94.6Very high0 Ų020.4 Ų20.40%013%0.126CC..Hα-helixtrans-59.3-45.117600000112.7S144 S152S144-G148 PolarHBondContact O-N 3.29Å; G148-S152 PolarHBondContact O-N 3.21Å; G148-S152 VanDerWaalsContact O-N 3.15Å; G148-S152 PolarHBondContact O-OG 2.93Å
149F92.9Very high94.6Very high4 Ų420.4 Ų20.42%0.01813%0.126CC..Hα-helixtrans-63.9-49179-176-84000111.5V7 L11 Y135 V145 K146 V147 A151 S152 L153 F450V7-F149 HydrophobicContact CG1-CD2 3.81Å; V7-F149 HydrophobicContact CG1-CE2 4.33Å; L11-F149 HydrophobicContact CB-CD2 4.07Å; L11-F149 HydrophobicContact CB-CE2 3.7Å; L11-F149 HydrophobicContact CD1-CD2 4.01Å; L11-F149 HydrophobicContact CD1-CE2 3.9Å; L11-F149 HydrophobicContact CD1-CG 4.4Å; L11-F149 HydrophobicContact CD1-CZ 4.18Å; L11-F149 HydrophobicContact CG-CD2 4.44Å; L11-F149 HydrophobicContact CG-CE2 4.35Å; Y135-F149 HydrophobicContact CD2-CB 4.37Å; Y135-F149 HydrophobicContact CE2-CB 4.28Å; V145-F149 VanDerWaalsContact O-CB 3.31Å; V145-F149 WeakPolarHBondContact O-CB 3.32Å; V145-F149 PolarHBondContact O-N 3.28Å; K146-F149 PolarHBondContact O-N 2.87Å; V147-F149 PolarHBondContact O-N 3.49Å; F149-A151 PolarHBondContact O-N 3.19Å; F149-S152 PolarHBondContact O-N 3.08Å; F149-L153 PolarHBondContact O-N 3.35Å; F149-F450 AromaticContact CD1-CE1 3.68Å; F149-F450 HydrophobicContact CD1-CE1 3.68Å; F149-F450 HydrophobicContact CD1-CZ 4.06Å; F149-F450 AromaticContact CE1-CE1 3.85Å; F149-F450 HydrophobicContact CE1-CE1 3.85Å; F149-F450 AromaticContact CE1-CZ 3.74Å; F149-F450 HydrophobicContact CE1-CZ 3.74Å
150L93Very high94.6Very high2 Ų218.4 Ų18.41%0.0111%0.114CC..Hα-helixtrans-66.9-37.4-178.5-17558.6000111.9K146 V147 S152 L153 L154 A440 L443 L447 A480K146-L150 WeakPolarHBondContact O-CB 3.35Å; K146-L150 PolarHBondContact O-N 2.9Å; V147-L150 PolarHBondContact O-N 3.16Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 3.04Å; L150-L153 PolarHBondContact O-N 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.36Å; L150-L154 WeakPolarHBondContact O-CG 3.39Å; L150-L154 PolarHBondContact O-N 3.14Å; L150-A440 HydrophobicContact CB-CB 3.97Å; L150-A440 HydrophobicContact CD2-CB 4.31Å; L150-A440 HydrophobicContact CG-CB 4.03Å; L150-L443 HydrophobicContact CD2-CB 3.55Å; L150-L443 HydrophobicContact CD2-CD1 4Å; L150-L443 HydrophobicContact CD2-CG 4.43Å; L150-L443 HydrophobicContact CG-CD1 4.39Å; L150-L447 HydrophobicContact CD2-CD1 4.12Å; L150-A480 HydrophobicContact CD1-CB 4.08Å
151A96.7Very high94.7Very high0 Ų014.6 Ų14.60%010%0.095CC..Hα-helixtrans-60.7-42174.400000111.9V147 F149 L153 L154 F155 A440V147-A151 WeakPolarHBondContact O-CB 3.25Å; V147-A151 PolarHBondContact O-N 3.27Å; F149-A151 PolarHBondContact O-N 3.19Å; A151-L153 VanDerWaalsContact C-N 3.35Å; A151-L154 PolarHBondContact O-N 3.48Å; A151-F155 PolarHBondContact O-N 2.87Å; A151-A440 HydrophobicContact CB-CB 3.78Å
152S96.8Very high94.8Very high0 Ų014.3 Ų14.30%09%0.093CC..Hα-helixtrans-68.5-32.3175.7-74.40000113.7T131 Y135 G148 F149 L150 F155 S156T131-S152 PolarHBondContact O-OG 2.95Å; Y135-S152 WeakPolarHBondContact CA-OG 3.45Å; Y135-S152 WeakPolarHBondContact CB-OG 3.48Å; Y135-S152 PolarHBondContact N-OG 2.99Å; G148-S152 PolarHBondContact O-N 3.21Å; G148-S152 VanDerWaalsContact O-N 3.15Å; G148-S152 PolarHBondContact O-OG 2.93Å; F149-S152 PolarHBondContact O-N 3.08Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 3.04Å; S152-F155 WeakPolarHBondContact O-CB 3.37Å; S152-F155 PolarHBondContact O-N 3.3Å; S152-S156 PolarHBondContact O-N 3.35Å; S152-S156 VanDerWaalsContact O-N 3.16Å; S152-S156 PolarHBondContact O-OG 3.07Å
153L94.9Very high94.9Very high1 Ų113 Ų131%0.0059%0.086CC..Hα-helixtrans-68.7-44.6172.6-16669.4000111.3C14 L18 F149 L150 A151 F155 S156 C157 I477 A480 L481C14-L153 HydrophobicContact CB-CD1 4.04Å; L18-L153 HydrophobicContact CD1-CD1 3.47Å; L18-L153 VanDerWaalsContact CD1-CD1 3.47Å; L18-L153 HydrophobicContact CD1-CG 4.15Å; F149-L153 PolarHBondContact O-N 3.35Å; L150-L153 PolarHBondContact O-N 3.29Å; A151-L153 VanDerWaalsContact C-N 3.35Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 3.47Å; L153-S156 WeakPolarHBondContact O-CA 3.26Å; L153-S156 VanDerWaalsContact O-CB 3.3Å; L153-S156 WeakPolarHBondContact O-CB 3.33Å; L153-S156 PolarHBondContact O-N 3.3Å; L153-C157 PolarHBondContact O-N 3.2Å; L153-C157 PolarHBondContact O-SG 2.69Å; L153-I477 HydrophobicContact CD1-CG1 4.36Å; L153-A480 HydrophobicContact CD2-CB 3.39Å; L153-L481 HydrophobicContact CD2-CD1 4.08Å; L153-L481 HydrophobicContact CD2-CD2 3.83Å; L153-L481 HydrophobicContact CD2-CG 3.71Å; L153-L481 HydrophobicContact CG-CD1 4.06Å; L153-L481 HydrophobicContact CG-CD2 4.11Å; L153-L481 HydrophobicContact CG-CG 4.17Å
154L96.9Very high95.1Very high0 Ų09.8 Ų9.80%05%0.053CC..Hα-helixtrans-60.1-37.8173.6-73.3175.5000112.1L150 A151 S156 C157 N158 Y436 C439 A440 L443 L481 L495 F498L150-L154 WeakPolarHBondContact O-CB 3.36Å; L150-L154 WeakPolarHBondContact O-CG 3.39Å; L150-L154 PolarHBondContact O-N 3.14Å; A151-L154 PolarHBondContact O-N 3.48Å; L154-S156 VanDerWaalsContact C-N 3.28Å; L154-S156 PolarHBondContact O-N 3.06Å; L154-C157 CarbonylContact O-C 3.55Å; L154-C157 VanDerWaalsContact O-C 3.3Å; L154-C157 PolarHBondContact O-N 3.42Å; L154-N158 WeakPolarHBondContact O-CA 3.34Å; L154-N158 PolarHBondContact O-N 3.06Å; L154-Y436 HydrophobicContact CB-CD1 4.35Å; L154-C439 HydrophobicContact CD1-CB 3.61Å; L154-A440 HydrophobicContact CD1-CB 4.2Å; L154-L443 HydrophobicContact CD1-CD1 4.08Å; L154-L443 HydrophobicContact CD2-CD1 4.21Å; L154-L481 HydrophobicContact CD2-CD2 4.09Å; L154-L495 HydrophobicContact CD2-CD2 4Å; L154-F498 HydrophobicContact CB-CD1 4.12Å; L154-F498 HydrophobicContact CB-CE1 3.77Å; L154-F498 HydrophobicContact CD2-CD1 3.82Å; L154-F498 HydrophobicContact CD2-CE1 4.09Å; L154-F498 HydrophobicContact CD2-CG 4.23Å; L154-F498 HydrophobicContact CG-CE1 4.38Å
155F98.1Very high95.3Very high0 Ų08.4 Ų8.40%04%0.044CC..Hα-helixtrans-59.2-40171166.1-100.6000112R19 N127 T131 L134 A151 S152 L153 C157 N158 F164 F174 Y436R19-F155 PolarHBondContact NH2-O 2.97Å; N127-F155 WeakPolarHBondContact O-CE1 3.49Å; T131-F155 WeakPolarHBondContact OG1-CD1 2.86Å; T131-F155 WeakPolarHBondContact OG1-CE1 3.45Å; L134-F155 HydrophobicContact CD2-CB 3.45Å; L134-F155 VanDerWaalsContact CD2-CB 3.45Å; L134-F155 HydrophobicContact CD2-CD2 4.41Å; L134-F155 HydrophobicContact CD2-CG 3.9Å; A151-F155 PolarHBondContact O-N 2.87Å; S152-F155 WeakPolarHBondContact O-CB 3.37Å; S152-F155 PolarHBondContact O-N 3.3Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 3.47Å; F155-C157 PolarHBondContact O-N 3.08Å; F155-N158 PolarHBondContact O-N 3.04Å; F155-N158 PolarHBondContact O-ND2 3.12Å; F155-F164 HydrophobicContact CE2-CD1 4.05Å; F155-F164 AromaticContact CE2-CE1 3.55Å; F155-F164 HydrophobicContact CE2-CE1 3.55Å; F155-F164 AromaticContact CE2-CZ 3.88Å; F155-F164 HydrophobicContact CE2-CZ 3.88Å; F155-F164 HydrophobicContact CZ-CD1 4.12Å; F155-F164 HydrophobicContact CZ-CE1 4.01Å; F155-F174 HydrophobicContact CD2-CD1 4.04Å; F155-F174 AromaticContact CD2-CE1 3.48Å; F155-F174 HydrophobicContact CD2-CE1 3.48Å; F155-F174 VanDerWaalsContact CD2-CE1 3.48Å; F155-F174 AromaticContact CD2-CZ 3.94Å; F155-F174 HydrophobicContact CD2-CZ 3.94Å; F155-F174 HydrophobicContact CE1-CE1 4.37Å; F155-F174 AromaticContact CE2-CD1 3.28Å; F155-F174 HydrophobicContact CE2-CD1 3.28Å; F155-F174 AromaticContact CE2-CE1 3.2Å; F155-F174 HydrophobicContact CE2-CE1 3.2Å; F155-F174 HydrophobicContact CE2-CG 4.15Å; F155-F174 HydrophobicContact CE2-CZ 4.02Å; F155-F174 HydrophobicContact CG-CE1 4.19Å; F155-F174 AromaticContact CZ-CD1 3.62Å; F155-F174 HydrophobicContact CZ-CD1 3.62Å; F155-F174 AromaticContact CZ-CE1 3.71Å; F155-F174 HydrophobicContact CZ-CE1 3.71Å; F155-Y436 HydrophobicContact CB-CD1 4.05Å; F155-Y436 HydrophobicContact CB-CE1 3.95Å; F155-Y436 HydrophobicContact CB-CE2 4.48Å; F155-Y436 HydrophobicContact CB-CG 4.36Å; F155-Y436 HydrophobicContact CD2-CE1 4.26Å; F155-Y436 AromaticContact CD2-CE2 3.98Å; F155-Y436 HydrophobicContact CD2-CE2 3.98Å; F155-Y436 AromaticContact CD2-CZ 3.67Å
156S96.7Very high95.6Very high0 Ų05.5 Ų5.50%03%0.026CC..Hα-helixtrans-67.1-20.4-179.6-58.60000113.6A15 R19 S152 L153 L154A15-S156 WeakPolarHBondContact CB-OG 3.25Å; R19-S156 PolarHBondContact NE-O 2.98Å; S152-S156 PolarHBondContact O-N 3.35Å; S152-S156 VanDerWaalsContact O-N 3.16Å; S152-S156 PolarHBondContact O-OG 3.07Å; L153-S156 WeakPolarHBondContact O-CA 3.26Å; L153-S156 VanDerWaalsContact O-CB 3.3Å; L153-S156 WeakPolarHBondContact O-CB 3.33Å; L153-S156 PolarHBondContact O-N 3.3Å; L154-S156 VanDerWaalsContact C-N 3.28Å; L154-S156 PolarHBondContact O-N 3.06Å
157C95.9Very high95.9Very high0 Ų01.5 Ų1.50%01%0.008CC..THydrogen-bonded Turntrans-128.336.4177.967.20000112.3F22 L153 L154 F155 L481 L499F22-C157 HydrophobicContact CE2-CB 3.79Å; F22-C157 HydrophobicContact CZ-CB 4.03Å; L153-C157 PolarHBondContact O-N 3.2Å; L153-C157 PolarHBondContact O-SG 2.69Å; L154-C157 CarbonylContact O-C 3.55Å; L154-C157 VanDerWaalsContact O-C 3.3Å; L154-C157 PolarHBondContact O-N 3.42Å; F155-C157 PolarHBondContact O-N 3.08Å; C157-L481 HydrophobicContact CB-CD1 4.46Å; C157-L499 HydrophobicContact CB-CD2 4.09Å
158N96.9Very high96.1Very high0 Ų01.2 Ų1.20%01%0.006CC..  trans-69.9154.9-176.576.271.8000112.1L154 F155 A160 T161 F164 F429 Y436 F498L154-N158 WeakPolarHBondContact O-CA 3.34Å; L154-N158 PolarHBondContact O-N 3.06Å; F155-N158 PolarHBondContact O-N 3.04Å; F155-N158 PolarHBondContact O-ND2 3.12Å; N158-A160 PolarHBondContact O-N 3.28Å; N158-A160 VanDerWaalsContact O-N 3.1Å; N158-A160 WeakPolarHBondContact OD1-CA 3.49Å; N158-A160 WeakPolarHBondContact OD1-CB 3.26Å; N158-A160 PolarHBondContact OD1-N 3.22Å; N158-T161 PolarHBondContact N-OG1 2.86Å; N158-T161 WeakPolarHBondContact O-CB 3.42Å; N158-T161 PolarHBondContact O-N 3.23Å; N158-T161 PolarHBondContact O-OG1 3.34Å; N158-T161 PolarHBondContact OD1-N 3.23Å; N158-F164 WeakPolarHBondContact ND2-CD2 3.22Å; N158-F164 WeakPolarHBondContact ND2-CE2 3.19Å; N158-F164 WeakPolarHBondContact OD1-CE2 3.41Å; N158-F429 HydrophobicContact CB-CD1 4.06Å; N158-F429 HydrophobicContact CB-CE1 4.45Å; N158-F429 HydrophobicContact CB-CG 4.43Å; N158-Y436 HydrophobicContact CB-CE1 3.71Å; N158-F498 HydrophobicContact CB-CE1 4.4Å
159P97Very high96.3Very high0 Ų01.2 Ų1.20%01%0.007CC..THydrogen-bonded Turntrans-51.5-32.4177.7-32.637.6000115.6T161 T425 F429 Y497 F498 Y501P159-T161 VanDerWaalsContact C-N 3.3Å; P159-T161 PolarHBondContact O-N 3.27Å; P159-T425 HydrophobicContact CB-CG2 3.8Å; P159-F429 HydrophobicContact CB-CD2 4.14Å; P159-F429 HydrophobicContact CB-CE2 3.73Å; P159-F429 HydrophobicContact CB-CZ 4.31Å; P159-F429 VanDerWaalsContact CD-CZ 3.43Å; P159-F429 HydrophobicContact CG-CD2 4.21Å; P159-F429 HydrophobicContact CG-CE1 4.36Å; P159-F429 HydrophobicContact CG-CE2 3.43Å; P159-F429 VanDerWaalsContact CG-CE2 3.43Å; P159-F429 HydrophobicContact CG-CZ 3.51Å; P159-Y497 HydrophobicContact CB-CE1 4.38Å; P159-Y497 HydrophobicContact CB-CE2 4.18Å; P159-Y497 HydrophobicContact CG-CD1 4.01Å; P159-Y497 HydrophobicContact CG-CD2 4.49Å; P159-Y497 HydrophobicContact CG-CE1 3.49Å; P159-Y497 VanDerWaalsContact CG-CE1 3.49Å; P159-Y497 HydrophobicContact CG-CE2 4.01Å; P159-Y497 HydrophobicContact CG-CG 4.49Å; P159-Y497 VanDerWaalsContact CG-CZ 3.47Å; P159-F498 HydrophobicContact CG-CD2 4.28Å; P159-F498 HydrophobicContact CG-CG 4.29Å; P159-Y501 HydrophobicContact CB-CD1 4.26Å; P159-Y501 HydrophobicContact CB-CG 4.24Å
160A95.9Very high96.5Very high0 Ų01 Ų10%01%0.006CC..THydrogen-bonded Turntrans-89.513.3178.900000113N158 V162 F163 F164 T425 F429N158-A160 PolarHBondContact O-N 3.28Å; N158-A160 VanDerWaalsContact O-N 3.1Å; N158-A160 WeakPolarHBondContact OD1-CA 3.49Å; N158-A160 WeakPolarHBondContact OD1-CB 3.26Å; N158-A160 PolarHBondContact OD1-N 3.22Å; A160-V162 PolarHBondContact O-N 3.41Å; A160-F163 HydrophobicContact CB-CD2 3.94Å; A160-F163 WeakPolarHBondContact O-CB 3.4Å; A160-F163 WeakPolarHBondContact O-CD2 3.41Å; A160-F163 PolarHBondContact O-N 3.25Å; A160-F164 HydrophobicContact CB-CD2 4.45Å; A160-F164 HydrophobicContact CB-CE2 4.16Å; A160-F164 WeakPolarHBondContact O-CD2 3.39Å; A160-F164 PolarHBondContact O-N 3.23Å; A160-T425 HydrophobicContact CB-CG2 4.46Å; A160-F429 HydrophobicContact CB-CB 3.97Å; A160-F429 HydrophobicContact CB-CD2 4.38Å
161T96.2Very high96.8Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-52.6-35.7-172.4-81.20000113.5R19 F22 N158 P159 F163 F164 S165R19-T161 VanDerWaalsContact NH1-CG2 3.32Å; R19-T161 PolarHBondContact NH1-OG1 3.45Å; F22-T161 HydrophobicContact CB-CG2 3.98Å; F22-T161 HydrophobicContact CD1-CG2 4.25Å; F22-T161 HydrophobicContact CD2-CG2 3.74Å; F22-T161 HydrophobicContact CE2-CG2 4.27Å; F22-T161 HydrophobicContact CG-CG2 3.73Å; N158-T161 PolarHBondContact N-OG1 2.86Å; N158-T161 WeakPolarHBondContact O-CB 3.42Å; N158-T161 PolarHBondContact O-N 3.23Å; N158-T161 PolarHBondContact O-OG1 3.34Å; N158-T161 PolarHBondContact OD1-N 3.23Å; P159-T161 VanDerWaalsContact C-N 3.3Å; P159-T161 PolarHBondContact O-N 3.27Å; T161-F163 PolarHBondContact O-N 3.34Å; T161-F164 CarbonylContact O-C 3.58Å; T161-F164 WeakPolarHBondContact O-CA 3.37Å; T161-F164 WeakPolarHBondContact O-CB 3.22Å; T161-F164 PolarHBondContact O-N 3Å; T161-S165 PolarHBondContact O-N 3.24Å
162V96.6Very high96.9Very high0 Ų01.2 Ų1.20%01%0.007CC..Hα-helixtrans-60-33.217867.80000113I26 A160 S165 S166 H509I26-V162 HydrophobicContact CD1-CG2 4.12Å; I26-V162 HydrophobicContact CG1-CG2 4.47Å; A160-V162 PolarHBondContact O-N 3.41Å; V162-S165 PolarHBondContact O-N 3.47Å; V162-S166 WeakPolarHBondContact O-CB 3.42Å; V162-S166 PolarHBondContact O-N 3.1Å; V162-S166 PolarHBondContact O-OG 2.88Å; V162-H509 HydrophobicContact CG1-CB 4.28Å; V162-H509 HydrophobicContact CG2-CB 3.66Å
163F96.7Very high96.9Very high6 Ų61.2 Ų1.23%0.0261%0.007CC..Hα-helixtrans-75.9-25.6175.5-55.2-70.6000112.8A160 T161 Y168 E170 R426 T516A160-F163 HydrophobicContact CB-CD2 3.94Å; A160-F163 WeakPolarHBondContact O-CB 3.4Å; A160-F163 WeakPolarHBondContact O-CD2 3.41Å; A160-F163 PolarHBondContact O-N 3.25Å; T161-F163 PolarHBondContact O-N 3.34Å; F163-Y168 HydrophobicContact CB-CD2 4.34Å; F163-Y168 HydrophobicContact CD1-CD1 4.25Å; F163-Y168 AromaticContact CD1-CD2 3.96Å; F163-Y168 HydrophobicContact CD1-CD2 3.96Å; F163-Y168 AromaticContact CD1-CE1 3.85Å; F163-Y168 HydrophobicContact CD1-CE1 3.85Å; F163-Y168 AromaticContact CD1-CE2 3.59Å; F163-Y168 HydrophobicContact CD1-CE2 3.59Å; F163-Y168 HydrophobicContact CD1-CG 4.33Å; F163-Y168 AromaticContact CD1-CZ 3.59Å; F163-Y168 HydrophobicContact CE1-CE1 4.26Å; F163-Y168 HydrophobicContact CE1-CE2 4.21Å; F163-Y168 AromaticContact CE1-CZ 3.88Å; F163-E170 HydrophobicContact CB-CG 4.04Å; F163-R426 HydrophobicContact CB-CG 4.04Å; F163-R426 HydrophobicContact CD1-CG 4.28Å; F163-R426 HydrophobicContact CD2-CB 3.95Å; F163-R426 HydrophobicContact CD2-CG 3.73Å; F163-R426 HydrophobicContact CE2-CB 4.11Å; F163-R426 HydrophobicContact CE2-CG 4.27Å; F163-R426 HydrophobicContact CG-CB 4.44Å; F163-R426 HydrophobicContact CG-CG 3.74Å; F163-T516 WeakPolarHBondContact CE2-OXT 3.34Å; F163-T516 WeakPolarHBondContact CZ-OXT 3.46Å
164F97.4Very high97.1Very high0 Ų01.2 Ų1.20%01%0.007CC..Hα-helixtrans-78.1-25.6171.8-73.8-89000112.2N127 F155 N158 A160 T161 E170 S171 F174 F429N127-F164 PolarHBondContact ND2-O 3.18Å; N127-F164 WeakPolarHBondContact OD1-CB 3.03Å; N127-F164 WeakPolarHBondContact OD1-CD1 3.47Å; F155-F164 HydrophobicContact CE2-CD1 4.05Å; F155-F164 AromaticContact CE2-CE1 3.55Å; F155-F164 HydrophobicContact CE2-CE1 3.55Å; F155-F164 AromaticContact CE2-CZ 3.88Å; F155-F164 HydrophobicContact CE2-CZ 3.88Å; F155-F164 HydrophobicContact CZ-CD1 4.12Å; F155-F164 HydrophobicContact CZ-CE1 4.01Å; N158-F164 WeakPolarHBondContact ND2-CD2 3.22Å; N158-F164 WeakPolarHBondContact ND2-CE2 3.19Å; N158-F164 WeakPolarHBondContact OD1-CE2 3.41Å; A160-F164 HydrophobicContact CB-CD2 4.45Å; A160-F164 HydrophobicContact CB-CE2 4.16Å; A160-F164 WeakPolarHBondContact O-CD2 3.39Å; A160-F164 PolarHBondContact O-N 3.23Å; T161-F164 CarbonylContact O-C 3.58Å; T161-F164 WeakPolarHBondContact O-CA 3.37Å; T161-F164 WeakPolarHBondContact O-CB 3.22Å; T161-F164 PolarHBondContact O-N 3Å; F164-E170 HydrophobicContact CD1-CB 4.39Å; F164-E170 HydrophobicContact CE1-CB 4.41Å; F164-S171 WeakPolarHBondContact CA-OG 3.2Å; F164-S171 WeakPolarHBondContact CD1-OG 3.35Å; F164-S171 PolarHBondContact O-OG 2.92Å; F164-F174 HydrophobicContact CE1-CB 3.87Å; F164-F174 HydrophobicContact CE1-CD1 4.33Å; F164-F174 HydrophobicContact CE1-CG 4.18Å; F164-F174 HydrophobicContact CZ-CB 4.5Å; F164-F429 HydrophobicContact CE2-CB 4.47Å
165S96Very high97.2Very high9 Ų93.1 Ų3.16%0.0632%0.015CC..Hα-helixtrans-91.7-38.8178.7-70.90000112.8T161 V162T161-S165 PolarHBondContact O-N 3.24Å; V162-S165 PolarHBondContact O-N 3.47Å
166S96Very high97.2Very high0 Ų04.5 Ų4.50%02%0.021CC..THydrogen-bonded Turntrans-71.7167.7176.8-59.10000111.2F62 N123 V162 Y168F62-S166 WeakPolarHBondContact O-CA 3.37Å; F62-S166 WeakPolarHBondContact O-CB 3.43Å; N123-S166 PolarHBondContact ND2-O 3.24Å; V162-S166 WeakPolarHBondContact O-CB 3.42Å; V162-S166 PolarHBondContact O-N 3.1Å; V162-S166 PolarHBondContact O-OG 2.88Å; S166-Y168 PolarHBondContact O-N 3.2Å
167L97.2Very high97.3Very high0 Ų04.6 Ų4.60%02%0.022CC..THydrogen-bonded Turntrans-76.561-177.1-81.374.8000112.1F62 C67 F70 T71 F90 L116F62-L167 HydrophobicContact CB-CD1 3.68Å; F62-L167 WeakPolarHBondContact O-CD1 3.36Å; F62-L167 PolarHBondContact O-N 3.26Å; C67-L167 HydrophobicContact CB-CB 4.22Å; C67-L167 VanDerWaalsContact SG-C 3.51Å; C67-L167 PolarHBondContact SG-N 2.84Å; C67-L167 PolarHBondContact SG-O 3.09Å; F70-L167 WeakPolarHBondContact CD2-O 3.23Å; T71-L167 HydrophobicContact CG2-CB 4.45Å; T71-L167 HydrophobicContact CG2-CD2 3.58Å; F90-L167 VanDerWaalsContact CE1-C 3.47Å; F90-L167 HydrophobicContact CE1-CB 4.16Å; F90-L167 WeakPolarHBondContact CE1-O 3.26Å; F90-L167 HydrophobicContact CZ-CB 4.4Å; L116-L167 HydrophobicContact CD2-CD2 4.05Å
168Y97.1Very high97.4Very high3 Ų34.6 Ų4.61%0.0122%0.022CC..SBendtrans-108.5170.3167.3-62.9-107.1000112D66 C67 F70 F90 N123 F163 S166 E170 H509D66-Y168 HydrophobicContact CB-CD1 4.08Å; D66-Y168 HydrophobicContact CB-CE1 3.41Å; D66-Y168 VanDerWaalsContact CB-CE1 3.41Å; C67-Y168 WeakPolarHBondContact SG-CD2 3.33Å; C67-Y168 WeakPolarHBondContact SG-CE2 3.44Å; F70-Y168 AromaticContact CE2-CD1 3.92Å; F70-Y168 HydrophobicContact CE2-CD1 3.92Å; F70-Y168 HydrophobicContact CE2-CG 4.38Å; F90-Y168 WeakPolarHBondContact CE1-O 3.38Å; F90-Y168 WeakPolarHBondContact CZ-O 3.41Å; N123-Y168 PolarHBondContact ND2-O 3.19Å; F163-Y168 HydrophobicContact CB-CD2 4.34Å; F163-Y168 HydrophobicContact CD1-CD1 4.25Å; F163-Y168 AromaticContact CD1-CD2 3.96Å; F163-Y168 HydrophobicContact CD1-CD2 3.96Å; F163-Y168 AromaticContact CD1-CE1 3.85Å; F163-Y168 HydrophobicContact CD1-CE1 3.85Å; F163-Y168 AromaticContact CD1-CE2 3.59Å; F163-Y168 HydrophobicContact CD1-CE2 3.59Å; F163-Y168 HydrophobicContact CD1-CG 4.33Å; F163-Y168 AromaticContact CD1-CZ 3.59Å; F163-Y168 HydrophobicContact CE1-CE1 4.26Å; F163-Y168 HydrophobicContact CE1-CE2 4.21Å; F163-Y168 AromaticContact CE1-CZ 3.88Å; S166-Y168 PolarHBondContact O-N 3.2Å; Y168-E170 VanDerWaalsContact C-N 3.29Å; Y168-E170 WeakPolarHBondContact CB-OE2 3.38Å; Y168-E170 PolarHBondContact O-N 3.15Å; Y168-H509 AromaticContact CE2-CE1 3.8Å; Y168-H509 AromaticContact CE2-NE2 3.5Å; Y168-H509 WeakPolarHBondContact CE2-NE2 3.36Å; Y168-H509 AromaticContact CZ-NE2 3.62Å; Y168-H509 PolarHBondContact OH-NE2 3.49Å
169S97.6Very high97.5Very high1 Ų14.6 Ų4.61%0.0072%0.022CC..SBendtrans-79-4.9179.865.70000114.5S171 L172 F173 C202 R203S169-S171 PolarHBondContact O-N 3.44Å; S169-L172 PolarHBondContact O-N 2.92Å; S169-F173 WeakPolarHBondContact O-CB 3.34Å; S169-F173 PolarHBondContact O-N 3.27Å; S169-C202 PolarHBondContact OG-O 3.09Å; S169-R203 WeakPolarHBondContact OG-CG 3.17Å; S169-R203 PolarHBondContact OG-NH1 3.13Å
170E97.6Very high97.5Very high0 Ų04.6 Ų4.60%02%0.022CC..Hα-helixtrans-61.7-44.6-168-85.366.9178.900111.8F163 F164 Y168 F174 R203 R426F163-E170 HydrophobicContact CB-CG 4.04Å; F164-E170 HydrophobicContact CD1-CB 4.39Å; F164-E170 HydrophobicContact CE1-CB 4.41Å; Y168-E170 VanDerWaalsContact C-N 3.29Å; Y168-E170 WeakPolarHBondContact CB-OE2 3.38Å; Y168-E170 PolarHBondContact O-N 3.15Å; E170-F174 VanDerWaalsContact O-CB 3.26Å; E170-F174 WeakPolarHBondContact O-CB 3.29Å; E170-F174 PolarHBondContact O-N 2.98Å; E170-R203 IonicContact OE1-CZ 3.45Å; E170-R203 IonicContact OE1-NH1 2.74Å; E170-R203 PolarHBondContact OE1-NH1 2.76Å; E170-R203 IonicContact OE1-NH2 3.59Å; E170-R203 IonicContact OE2-NH1 3.08Å; E170-R203 PolarHBondContact OE2-NH1 3.06Å; E170-R203 VanDerWaalsContact OE2-NH1 3.08Å; E170-R426 HydrophobicContact CG-CG 3.87Å; E170-R426 WeakPolarHBondContact OE1-CD 3.24Å; E170-R426 WeakPolarHBondContact OE1-CG 3.48Å; E170-R426 IonicContact OE1-CZ 3.46Å; E170-R426 IonicContact OE1-NE 3.64Å; E170-R426 PolarHBondContact OE1-NE 3.46Å; E170-R426 VanDerWaalsContact OE1-NE 3.16Å; E170-R426 IonicContact OE1-NH1 3.56Å
171S98.1Very high97.7Very high0 Ų04.7 Ų4.70%02%0.022CC..Hα-helixtrans-66.3-41.7177.3-65.40000112.5N127 F164 S169 F175N127-S171 VanDerWaalsContact CG-OG 3.29Å; N127-S171 PolarHBondContact ND2-OG 3.29Å; N127-S171 PolarHBondContact OD1-OG 2.83Å; N127-S171 VanDerWaalsContact OD1-OG 3.11Å; F164-S171 WeakPolarHBondContact CA-OG 3.2Å; F164-S171 WeakPolarHBondContact CD1-OG 3.35Å; F164-S171 PolarHBondContact O-OG 2.92Å; S169-S171 PolarHBondContact O-N 3.44Å; S171-F175 WeakPolarHBondContact O-CB 3.49Å; S171-F175 PolarHBondContact O-N 2.79Å
172L98.5Very high97.7Very high6 Ų65.8 Ų5.83%0.0313%0.027CC..Hα-helixtrans-67.9-43.6177.7-173.664.1000111.2F90 L93 L126 S169 F175 F176 C202F90-L172 HydrophobicContact CB-CD2 4.1Å; F90-L172 HydrophobicContact CD2-CB 4.26Å; F90-L172 HydrophobicContact CD2-CD2 4.09Å; L93-L172 HydrophobicContact CD2-CD1 3.87Å; L93-L172 HydrophobicContact CD2-CD2 3.91Å; L93-L172 HydrophobicContact CD2-CG 4.5Å; L126-L172 HydrophobicContact CD1-CB 3.95Å; L126-L172 HydrophobicContact CD1-CD1 3.67Å; L126-L172 HydrophobicContact CD1-CG 4.41Å; L126-L172 HydrophobicContact CD2-CD1 3.87Å; L126-L172 HydrophobicContact CG-CD1 4.45Å; S169-L172 PolarHBondContact O-N 2.92Å; L172-F175 PolarHBondContact O-N 2.97Å; L172-F176 HydrophobicContact CD1-CD2 3.99Å; L172-F176 HydrophobicContact CD1-CE2 3.34Å; L172-F176 HydrophobicContact CD1-CZ 3.82Å; L172-F176 HydrophobicContact CD2-CE2 4.13Å; L172-F176 HydrophobicContact CG-CD2 3.9Å; L172-F176 HydrophobicContact CG-CE2 3.53Å; L172-F176 HydrophobicContact CG-CZ 4.48Å; L172-F176 VanDerWaalsContact O-CD2 3.22Å; L172-F176 WeakPolarHBondContact O-CD2 3.3Å; L172-F176 PolarHBondContact O-N 3.21Å; L172-C202 VanDerWaalsContact CD2-SG 3.54Å; L172-C202 VanDerWaalsContact CG-SG 3.57Å
173F98.7Very high97.8Very high0 Ų07.1 Ų7.10%03%0.033CC..Hα-helixtrans-61.5-50.2177.3174.4-106.8000111.9S169 F175 F176 T177 S199 C202 R203 N205 G206 S430 S431S169-F173 WeakPolarHBondContact O-CB 3.34Å; S169-F173 PolarHBondContact O-N 3.27Å; F173-F175 VanDerWaalsContact C-N 3.35Å; F173-F176 PolarHBondContact O-N 3.44Å; F173-T177 WeakPolarHBondContact O-CB 3.44Å; F173-T177 PolarHBondContact O-N 3.48Å; F173-T177 PolarHBondContact O-OG1 3.03Å; F173-S199 VanDerWaalsContact CD2-O 3.27Å; F173-S199 WeakPolarHBondContact CD2-O 3.25Å; F173-C202 HydrophobicContact CB-CB 3.89Å; F173-C202 HydrophobicContact CD2-CB 4.17Å; F173-R203 HydrophobicContact CB-CG 4.08Å; F173-R203 HydrophobicContact CD2-CB 4.01Å; F173-R203 HydrophobicContact CD2-CG 3.96Å; F173-R203 HydrophobicContact CE2-CB 4.26Å; F173-R203 HydrophobicContact CG-CB 4.42Å; F173-R203 HydrophobicContact CG-CG 3.92Å; F173-N205 WeakPolarHBondContact CE1-ND2 3.1Å; F173-N205 VanDerWaalsContact CZ-ND2 3.27Å; F173-N205 WeakPolarHBondContact CZ-ND2 3.27Å; F173-G206 VanDerWaalsContact CE2-CA 3.48Å; F173-S430 WeakPolarHBondContact CD1-O 3.39Å; F173-S430 WeakPolarHBondContact CE1-O 3.39Å; F173-S431 WeakPolarHBondContact CE1-OG 3.34Å
174F98.6Very high97.8Very high0 Ų06.9 Ų6.90%03%0.032CC..Hα-helixtrans-65.7-39.6179.4-173.8-108.2000111.1L134 F155 F164 E170 F176 T177 I178 S430 Y436L134-F174 HydrophobicContact CD1-CZ 4.3Å; L134-F174 HydrophobicContact CD2-CE1 4.46Å; L134-F174 HydrophobicContact CD2-CZ 4.19Å; F155-F174 HydrophobicContact CD2-CD1 4.04Å; F155-F174 AromaticContact CD2-CE1 3.48Å; F155-F174 HydrophobicContact CD2-CE1 3.48Å; F155-F174 VanDerWaalsContact CD2-CE1 3.48Å; F155-F174 AromaticContact CD2-CZ 3.94Å; F155-F174 HydrophobicContact CD2-CZ 3.94Å; F155-F174 HydrophobicContact CE1-CE1 4.37Å; F155-F174 AromaticContact CE2-CD1 3.28Å; F155-F174 HydrophobicContact CE2-CD1 3.28Å; F155-F174 AromaticContact CE2-CE1 3.2Å; F155-F174 HydrophobicContact CE2-CE1 3.2Å; F155-F174 HydrophobicContact CE2-CG 4.15Å; F155-F174 HydrophobicContact CE2-CZ 4.02Å; F155-F174 HydrophobicContact CG-CE1 4.19Å; F155-F174 AromaticContact CZ-CD1 3.62Å; F155-F174 HydrophobicContact CZ-CD1 3.62Å; F155-F174 AromaticContact CZ-CE1 3.71Å; F155-F174 HydrophobicContact CZ-CE1 3.71Å; F164-F174 HydrophobicContact CE1-CB 3.87Å; F164-F174 HydrophobicContact CE1-CD1 4.33Å; F164-F174 HydrophobicContact CE1-CG 4.18Å; F164-F174 HydrophobicContact CZ-CB 4.5Å; E170-F174 VanDerWaalsContact O-CB 3.26Å; E170-F174 WeakPolarHBondContact O-CB 3.29Å; E170-F174 PolarHBondContact O-N 2.98Å; F174-F176 PolarHBondContact O-N 3.33Å; F174-T177 PolarHBondContact O-N 2.7Å; F174-I178 HydrophobicContact CZ-CD1 4.29Å; F174-I178 WeakPolarHBondContact O-CB 3.24Å; F174-I178 WeakPolarHBondContact O-CG2 3.46Å; F174-I178 PolarHBondContact O-N 3.01Å; F174-S430 VanDerWaalsContact CD2-O 3.29Å; F174-S430 WeakPolarHBondContact CD2-O 3.43Å; F174-Y436 HydrophobicContact CE2-CE2 4.04Å; F174-Y436 HydrophobicContact CZ-CD2 4.34Å; F174-Y436 AromaticContact CZ-CE2 3.85Å; F174-Y436 HydrophobicContact CZ-CE2 3.85Å
175F98.6Very high97.7Very high40 Ų407.9 Ų7.918%0.1754%0.035CC..Hα-helixtrans-56.1-51.9174.1171.3-104.4000111.9L126 A129 S130 F133 S171 L172 F173 T177 S179L126-F175 HydrophobicContact CD2-CB 4.02Å; L126-F175 HydrophobicContact CD2-CD1 3.7Å; L126-F175 HydrophobicContact CD2-CD2 4.38Å; L126-F175 HydrophobicContact CD2-CE1 4.28Å; L126-F175 HydrophobicContact CD2-CG 3.76Å; A129-F175 HydrophobicContact CB-CD2 3.88Å; A129-F175 HydrophobicContact CB-CE2 3.73Å; S130-F175 VanDerWaalsContact OG-CA 3.27Å; S130-F175 WeakPolarHBondContact OG-CA 3.2Å; S130-F175 WeakPolarHBondContact OG-CB 3.42Å; S130-F175 PolarHBondContact OG-N 3.08Å; F133-F175 HydrophobicContact CD2-CD2 4.39Å; F133-F175 AromaticContact CD2-CE2 3.9Å; F133-F175 HydrophobicContact CD2-CE2 3.9Å; F133-F175 AromaticContact CE2-CE2 3.75Å; F133-F175 HydrophobicContact CE2-CE2 3.75Å; F133-F175 HydrophobicContact CE2-CZ 4.4Å; S171-F175 WeakPolarHBondContact O-CB 3.49Å; S171-F175 PolarHBondContact O-N 2.79Å; L172-F175 PolarHBondContact O-N 2.97Å; F173-F175 VanDerWaalsContact C-N 3.35Å; F175-T177 PolarHBondContact O-N 3Å; F175-S179 VanDerWaalsContact O-CB 3.23Å; F175-S179 WeakPolarHBondContact O-CB 3.5Å; F175-S179 PolarHBondContact O-N 3.46Å; F175-S179 PolarHBondContact O-OG 2.89Å
176F98.7Very high97.6Very high30 Ų3010 Ų1013%0.1325%0.045CC..Hα-helixtrans-66-37.8179-74.5-46.5000112.7L172 F173 F174 S179 G180 L195 F198L172-F176 HydrophobicContact CD1-CD2 3.99Å; L172-F176 HydrophobicContact CD1-CE2 3.34Å; L172-F176 HydrophobicContact CD1-CZ 3.82Å; L172-F176 HydrophobicContact CD2-CE2 4.13Å; L172-F176 HydrophobicContact CG-CD2 3.9Å; L172-F176 HydrophobicContact CG-CE2 3.53Å; L172-F176 HydrophobicContact CG-CZ 4.48Å; L172-F176 VanDerWaalsContact O-CD2 3.22Å; L172-F176 WeakPolarHBondContact O-CD2 3.3Å; L172-F176 PolarHBondContact O-N 3.21Å; F173-F176 PolarHBondContact O-N 3.44Å; F174-F176 PolarHBondContact O-N 3.33Å; F176-S179 WeakPolarHBondContact CA-OG 3.44Å; F176-S179 PolarHBondContact O-OG 3.42Å; F176-G180 WeakPolarHBondContact O-CA 3.19Å; F176-G180 PolarHBondContact O-N 2.92Å; F176-L195 WeakPolarHBondContact CB-O 3.37Å; F176-L195 HydrophobicContact CD1-CD2 3.74Å; F176-L195 HydrophobicContact CE1-CD2 4.13Å; F176-F198 HydrophobicContact CB-CB 4.42Å; F176-F198 HydrophobicContact CD1-CB 3.8Å; F176-F198 HydrophobicContact CD1-CD2 4.48Å; F176-F198 HydrophobicContact CD2-CB 3.63Å; F176-F198 HydrophobicContact CE1-CB 3.86Å; F176-F198 HydrophobicContact CE1-CD2 4.11Å; F176-F198 HydrophobicContact CE1-CG 4.24Å; F176-F198 HydrophobicContact CE2-CB 3.66Å; F176-F198 HydrophobicContact CE2-CG 4.47Å; F176-F198 HydrophobicContact CG-CB 3.7Å; F176-F198 HydrophobicContact CZ-CB 3.79Å; F176-F198 HydrophobicContact CZ-CD2 4.44Å; F176-F198 HydrophobicContact CZ-CG 4.2Å
177T98.6Very high97.5Very high1 Ų114.5 Ų14.51%0.0067%0.07CC..Hα-helixtrans-61.5-54.9175.7-59.60000110.7F173 F174 F175 G180 L181 N209F173-T177 WeakPolarHBondContact O-CB 3.44Å; F173-T177 PolarHBondContact O-N 3.48Å; F173-T177 PolarHBondContact O-OG1 3.03Å; F174-T177 PolarHBondContact O-N 2.7Å; F175-T177 PolarHBondContact O-N 3Å; T177-G180 PolarHBondContact O-N 2.88Å; T177-L181 HydrophobicContact CG2-CD1 4.21Å; T177-L181 VanDerWaalsContact O-CG 3.25Å; T177-L181 WeakPolarHBondContact O-CG 3.42Å; T177-L181 PolarHBondContact O-N 3.45Å; T177-N209 PolarHBondContact OG1-ND2 3.22Å
178I98.3Very high97.4Very high0 Ų021.9 Ų21.90%010%0.097CC..Hα-helixtrans-70.4-37.6-174.1-156.775.2000112.5F133 L134 L137 F174 Y182 P433F133-I178 HydrophobicContact CB-CG1 4.36Å; F133-I178 HydrophobicContact CB-CG2 3.61Å; L134-I178 HydrophobicContact CB-CD1 4.44Å; L134-I178 HydrophobicContact CB-CG1 4.15Å; L134-I178 HydrophobicContact CD1-CD1 3.68Å; L134-I178 HydrophobicContact CD1-CG1 4.33Å; L137-I178 HydrophobicContact CD2-CD1 3.46Å; L137-I178 VanDerWaalsContact CD2-CD1 3.46Å; L137-I178 HydrophobicContact CD2-CG1 4.05Å; F174-I178 HydrophobicContact CZ-CD1 4.29Å; F174-I178 WeakPolarHBondContact O-CB 3.24Å; F174-I178 WeakPolarHBondContact O-CG2 3.46Å; F174-I178 PolarHBondContact O-N 3.01Å; I178-Y182 WeakPolarHBondContact O-CB 3.35Å; I178-Y182 PolarHBondContact O-N 3.27Å; I178-P433 HydrophobicContact CD1-CB 3.55Å; I178-P433 HydrophobicContact CD1-CG 3.94Å
179S98.1Very high97.4Very high1 Ų123.5 Ų23.51%0.00711%0.106CC..Hα-helixtrans-69.2-42.5175.5600000110.8F175 F176 L181 Y182 F183F175-S179 VanDerWaalsContact O-CB 3.23Å; F175-S179 WeakPolarHBondContact O-CB 3.5Å; F175-S179 PolarHBondContact O-N 3.46Å; F175-S179 PolarHBondContact O-OG 2.89Å; F176-S179 WeakPolarHBondContact CA-OG 3.44Å; F176-S179 PolarHBondContact O-OG 3.42Å; S179-L181 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 2.89Å; S179-Y182 WeakPolarHBondContact O-CB 3.26Å; S179-Y182 PolarHBondContact O-N 3.12Å; S179-Y182 VanDerWaalsContact O-N 3.15Å; S179-F183 WeakPolarHBondContact O-CD2 3.37Å; S179-F183 PolarHBondContact O-N 3.19Å
180G98.3Very high97.4Very high0 Ų028.7 Ų28.70%013%0.133CC..Hα-helixtrans-54.4-50.8173.600000111.5F176 T177 Y182 F183 M184 S192F176-G180 WeakPolarHBondContact O-CA 3.19Å; F176-G180 PolarHBondContact O-N 2.92Å; T177-G180 PolarHBondContact O-N 2.88Å; G180-Y182 PolarHBondContact O-N 3.28Å; G180-F183 PolarHBondContact O-N 3.43Å; G180-M184 PolarHBondContact O-N 2.76Å; G180-S192 WeakPolarHBondContact O-CB 3.31Å; G180-S192 PolarHBondContact O-OG 2.88Å
181L98.3Very high97.4Very high2 Ų232 Ų321%0.0115%0.15CC..Hα-helixtrans-59-44.9175-66.5173.4000112.2L137 T177 S179 F183 M184 Y185 Y212 Y404 P433L137-L181 HydrophobicContact CD1-CB 4.35Å; L137-L181 HydrophobicContact CD2-CB 3.73Å; L137-L181 HydrophobicContact CD2-CD1 4.21Å; T177-L181 HydrophobicContact CG2-CD1 4.21Å; T177-L181 VanDerWaalsContact O-CG 3.25Å; T177-L181 WeakPolarHBondContact O-CG 3.42Å; T177-L181 PolarHBondContact O-N 3.45Å; S179-L181 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 2.89Å; L181-F183 PolarHBondContact O-N 3.15Å; L181-M184 HydrophobicContact CD2-CE 3.66Å; L181-M184 WeakPolarHBondContact O-CB 3.08Å; L181-M184 PolarHBondContact O-N 3.38Å; L181-Y185 WeakPolarHBondContact O-CD2 3.34Å; L181-Y185 PolarHBondContact O-N 3.01Å; L181-Y212 HydrophobicContact CD1-CE2 4.46Å; L181-Y212 HydrophobicContact CD2-CD1 4Å; L181-Y212 HydrophobicContact CD2-CD2 3.74Å; L181-Y212 HydrophobicContact CD2-CE2 4.39Å; L181-Y212 HydrophobicContact CD2-CG 3.55Å; L181-Y404 HydrophobicContact CD1-CE1 3.93Å; L181-P433 HydrophobicContact CD1-CG 4.18Å
182Y97.9Very high97.4Very high23 Ų2332 Ų329%0.0915%0.15CC..Hα-helixtrans-59.1-47.1177.2172.3-100000113.1F133 R136 M140 I178 S179 G180 M184 Y185 I186F133-Y182 AromaticContact CD1-CD1 3.72Å; F133-Y182 HydrophobicContact CD1-CD1 3.72Å; F133-Y182 HydrophobicContact CD1-CE1 4.31Å; F133-Y182 AromaticContact CD1-CG 3.9Å; F133-Y182 HydrophobicContact CD1-CG 3.9Å; F133-Y182 AromaticContact CE1-CD1 3.57Å; F133-Y182 HydrophobicContact CE1-CD1 3.57Å; F133-Y182 AromaticContact CE1-CE1 3.94Å; F133-Y182 HydrophobicContact CE1-CE1 3.94Å; F133-Y182 HydrophobicContact CE1-CG 4.24Å; R136-Y182 HydrophobicContact CB-CD2 3.86Å; R136-Y182 HydrophobicContact CB-CE2 3.55Å; R136-Y182 HydrophobicContact CG-CE2 4.36Å; M140-Y182 HydrophobicContact CE-CD2 4.09Å; M140-Y182 HydrophobicContact CE-CE2 3.7Å; I178-Y182 WeakPolarHBondContact O-CB 3.35Å; I178-Y182 PolarHBondContact O-N 3.27Å; S179-Y182 WeakPolarHBondContact O-CB 3.26Å; S179-Y182 PolarHBondContact O-N 3.12Å; S179-Y182 VanDerWaalsContact O-N 3.15Å; G180-Y182 PolarHBondContact O-N 3.28Å; Y182-M184 VanDerWaalsContact C-N 3.25Å; Y182-M184 PolarHBondContact O-N 3.45Å; Y182-Y185 PolarHBondContact O-N 2.89Å; Y182-I186 HydrophobicContact CD1-CD1 3.88Å; Y182-I186 HydrophobicContact CD2-CD1 4.11Å; Y182-I186 HydrophobicContact CE1-CD1 3.28Å; Y182-I186 HydrophobicContact CE2-CD1 3.52Å; Y182-I186 HydrophobicContact CG-CD1 4.28Å; Y182-I186 PolarHBondContact O-N 3.47Å; Y182-I186 VanDerWaalsContact OH-CD1 3.29Å; Y182-I186 WeakPolarHBondContact OH-CD1 3.28Å
183F97.7Very high97.3Very high28 Ų2831.7 Ų31.712%0.12315%0.149CC..Hα-helixtrans-69.4-25178-75.9-73.3000112.8M1 F133 S179 G180 L181 I186 R188 L191 L195M1-F183 HydrophobicContact CE-CD1 3.84Å; M1-F183 HydrophobicContact CE-CE1 3.32Å; M1-F183 HydrophobicContact CE-CZ 4.32Å; M1-F183 HydrophobicContact SD-CE1 4.49Å; F133-F183 HydrophobicContact CE1-CE2 4Å; F133-F183 HydrophobicContact CE1-CZ 4.48Å; F133-F183 HydrophobicContact CZ-CE2 4.25Å; S179-F183 WeakPolarHBondContact O-CD2 3.37Å; S179-F183 PolarHBondContact O-N 3.19Å; G180-F183 PolarHBondContact O-N 3.43Å; L181-F183 PolarHBondContact O-N 3.15Å; F183-I186 PolarHBondContact O-N 3.41Å; F183-R188 HydrophobicContact CB-CB 4.24Å; F183-R188 HydrophobicContact CD1-CB 4.17Å; F183-R188 HydrophobicContact CD1-CG 4.38Å; F183-R188 PolarHBondContact O-N 3.35Å; F183-L191 HydrophobicContact CB-CG 4.45Å; F183-L191 HydrophobicContact CD1-CD2 3.5Å; F183-L191 HydrophobicContact CD1-CG 4.3Å; F183-L191 HydrophobicContact CD2-CD2 4.02Å; F183-L191 HydrophobicContact CD2-CG 4.24Å; F183-L191 HydrophobicContact CE1-CD2 3.46Å; F183-L191 VanDerWaalsContact CE1-CD2 3.46Å; F183-L191 HydrophobicContact CE2-CD2 4.04Å; F183-L191 HydrophobicContact CG-CD2 3.78Å; F183-L191 HydrophobicContact CG-CG 4.1Å; F183-L191 HydrophobicContact CZ-CD2 3.77Å; F183-L195 HydrophobicContact CD2-CD1 3.36Å; F183-L195 HydrophobicContact CE2-CD1 3.9Å; F183-L195 HydrophobicContact CG-CD1 4.26Å
184M96.2Very high97.3Very high1 Ų134.9 Ų34.91%0.00517%0.165CC..Hα-helixtrans-59.5-49.9170.5-164.8175.459.600110.8G180 L181 Y182 I186 D187 S192 L213 F216G180-M184 PolarHBondContact O-N 2.76Å; L181-M184 HydrophobicContact CD2-CE 3.66Å; L181-M184 WeakPolarHBondContact O-CB 3.08Å; L181-M184 PolarHBondContact O-N 3.38Å; Y182-M184 VanDerWaalsContact C-N 3.25Å; Y182-M184 PolarHBondContact O-N 3.45Å; M184-I186 VanDerWaalsContact C-N 3.29Å; M184-I186 PolarHBondContact O-N 2.97Å; M184-D187 PolarHBondContact O-N 3.13Å; M184-S192 WeakPolarHBondContact CB-OG 3.48Å; M184-L213 HydrophobicContact CG-CD1 4.46Å; M184-L213 HydrophobicContact SD-CD1 4.32Å; M184-F216 HydrophobicContact CE-CB 4.18Å; M184-F216 HydrophobicContact CE-CD2 4.08Å; M184-F216 HydrophobicContact CE-CG 4.34Å; M184-F216 HydrophobicContact CG-CB 4.05Å; M184-F216 HydrophobicContact CG-CD1 3.82Å; M184-F216 HydrophobicContact CG-CD2 3.71Å; M184-F216 HydrophobicContact CG-CE1 4.14Å; M184-F216 HydrophobicContact CG-CE2 3.99Å; M184-F216 HydrophobicContact CG-CG 3.58Å; M184-F216 HydrophobicContact CG-CZ 4.17Å; M184-F216 WeakPolarHBondContact O-CZ 3.49Å; M184-F216 HydrophobicContact SD-CB 3.56Å; M184-F216 VanDerWaalsContact SD-CB 3.56Å; M184-F216 HydrophobicContact SD-CD1 4.43Å; M184-F216 HydrophobicContact SD-CD2 4.08Å; M184-F216 HydrophobicContact SD-CG 3.79Å
185Y94.8Very high97.3Very high21 Ų2135.7 Ų35.78%0.08217%0.169CC..Hα-helixtrans-71.5-19.4-178.8-74.4-82.2000114.5L137 M140 V141 L181 Y182 D187 F216 I400 Y404L137-Y185 HydrophobicContact CD1-CD2 3.61Å; L137-Y185 HydrophobicContact CD1-CE2 4.01Å; M140-Y185 WeakPolarHBondContact SD-CB 3.39Å; M140-Y185 HydrophobicContact SD-CG 4.17Å; V141-Y185 HydrophobicContact CG2-CE2 4.27Å; L181-Y185 WeakPolarHBondContact O-CD2 3.34Å; L181-Y185 PolarHBondContact O-N 3.01Å; Y182-Y185 PolarHBondContact O-N 2.89Å; Y185-D187 PolarHBondContact O-N 3.11Å; Y185-F216 HydrophobicContact CD1-CE2 4.21Å; Y185-F216 HydrophobicContact CE1-CE2 4.43Å; Y185-I400 HydrophobicContact CE1-CD1 3.92Å; Y185-I400 HydrophobicContact CE1-CG1 4Å; Y185-I400 HydrophobicContact CE1-CG2 3.91Å; Y185-I400 WeakPolarHBondContact OH-CG2 3.27Å; Y185-Y404 WeakPolarHBondContact CE2-OH 3.15Å; Y185-Y404 WeakPolarHBondContact OH-CE2 3.26Å; Y185-Y404 PolarHBondContact OH-OH 3.05Å
186I94.7Very high97.3Very high52 Ų5233.8 Ų33.827%0.26716%0.161SC..THydrogen-bonded Turntrans-88.314.4171.3-61.5162.1000111.4M1 M140 Y182 F183 M184 R188M1-I186 HydrophobicContact CE-CD1 4.25Å; M1-I186 HydrophobicContact CE-CG2 4.32Å; M140-I186 HydrophobicContact CE-CD1 3.91Å; M140-I186 HydrophobicContact CE-CG1 3.69Å; M140-I186 HydrophobicContact SD-CG1 4.34Å; Y182-I186 HydrophobicContact CD1-CD1 3.88Å; Y182-I186 HydrophobicContact CD2-CD1 4.11Å; Y182-I186 HydrophobicContact CE1-CD1 3.28Å; Y182-I186 HydrophobicContact CE2-CD1 3.52Å; Y182-I186 HydrophobicContact CG-CD1 4.28Å; Y182-I186 PolarHBondContact O-N 3.47Å; Y182-I186 VanDerWaalsContact OH-CD1 3.29Å; Y182-I186 WeakPolarHBondContact OH-CD1 3.28Å; F183-I186 PolarHBondContact O-N 3.41Å; M184-I186 VanDerWaalsContact C-N 3.29Å; M184-I186 PolarHBondContact O-N 2.97Å; I186-R188 HydrophobicContact CG2-CG 4.27Å; I186-R188 PolarHBondContact O-N 3.47Å; I186-R188 VanDerWaalsContact O-N 3.09Å
187D93.7Very high97.3Very high96 Ų9632.7 Ų32.751%0.51316%0.158SC..THydrogen-bonded Turntrans58.424178.7-64.7-61.3000113.9M184 Y185 I189 R220M184-D187 PolarHBondContact O-N 3.13Å; Y185-D187 PolarHBondContact O-N 3.11Å; D187-I189 VanDerWaalsContact C-N 3.3Å; D187-I189 PolarHBondContact O-N 3.13Å; D187-R220 IonicContact OD1-CZ 3.87Å; D187-R220 IonicContact OD1-NH1 2.69Å; D187-R220 PolarHBondContact OD1-NH1 3.25Å; D187-R220 IonicContact OD2-NH1 3.06Å; D187-R220 PolarHBondContact OD2-NH1 3.16Å
188R96.1Very high97.3Very high154 Ų15436.8 Ų36.858%0.58118%0.176SC*.  trans-92.962.6172.6-63.5-62.1-169.1-143.71.5110F183 I186 L190 L191 S192F183-R188 HydrophobicContact CB-CB 4.24Å; F183-R188 HydrophobicContact CD1-CB 4.17Å; F183-R188 HydrophobicContact CD1-CG 4.38Å; F183-R188 PolarHBondContact O-N 3.35Å; I186-R188 HydrophobicContact CG2-CG 4.27Å; I186-R188 PolarHBondContact O-N 3.47Å; I186-R188 VanDerWaalsContact O-N 3.09Å; R188-L190 PolarHBondContact O-N 2.87Å; R188-L191 HydrophobicContact CB-CB 4.34Å; R188-L191 PolarHBondContact O-N 3.39Å; R188-L191 VanDerWaalsContact O-N 3.16Å; R188-S192 PolarHBondContact O-N 3.24Å
189I95.8Very high97.3Very high38 Ų3836.8 Ų36.820%0.19518%0.176CC..Hα-helixtrans-62.1-39.3-167.4-51.3-52.5000113.6D187 S192 S193 L213 F216 M217 L263D187-I189 VanDerWaalsContact C-N 3.3Å; D187-I189 PolarHBondContact O-N 3.13Å; I189-S192 WeakPolarHBondContact O-CB 3.49Å; I189-S192 PolarHBondContact O-N 2.71Å; I189-S193 WeakPolarHBondContact O-CB 3.17Å; I189-S193 PolarHBondContact O-N 3.13Å; I189-S193 PolarHBondContact O-OG 2.86Å; I189-L213 HydrophobicContact CG2-CD1 3.98Å; I189-F216 HydrophobicContact CD1-CD1 4.03Å; I189-F216 HydrophobicContact CD1-CE1 3.38Å; I189-F216 HydrophobicContact CD1-CZ 4.08Å; I189-M217 HydrophobicContact CG2-CE 3.57Å; I189-L263 HydrophobicContact CG2-CD1 3.91Å
190L97.1Very high97.3Very high110 Ų11036.7 Ų36.758%0.57618%0.175SC*.Hα-helixtrans-61.9-46.6176.6178.861.2000111.4R188 S193 L194 L263 L266R188-L190 PolarHBondContact O-N 2.87Å; L190-S193 PolarHBondContact O-N 2.88Å; L190-L194 HydrophobicContact CG-CD1 4.45Å; L190-L194 WeakPolarHBondContact O-CG 3.41Å; L190-L194 PolarHBondContact O-N 3.13Å; L190-L263 HydrophobicContact CD1-CD2 4.02Å; L190-L266 HydrophobicContact CD1-CD2 4.32Å
191L97.7Very high97.3Very high69 Ų6938.7 Ų38.736%0.36119%0.185SC..Hα-helixtrans-65.6-41.7177.9-179.657.4000111.3F183 R188 S193 L194 L195F183-L191 HydrophobicContact CB-CG 4.45Å; F183-L191 HydrophobicContact CD1-CD2 3.5Å; F183-L191 HydrophobicContact CD1-CG 4.3Å; F183-L191 HydrophobicContact CD2-CD2 4.02Å; F183-L191 HydrophobicContact CD2-CG 4.24Å; F183-L191 HydrophobicContact CE1-CD2 3.46Å; F183-L191 VanDerWaalsContact CE1-CD2 3.46Å; F183-L191 HydrophobicContact CE2-CD2 4.04Å; F183-L191 HydrophobicContact CG-CD2 3.78Å; F183-L191 HydrophobicContact CG-CG 4.1Å; F183-L191 HydrophobicContact CZ-CD2 3.77Å; R188-L191 HydrophobicContact CB-CB 4.34Å; R188-L191 PolarHBondContact O-N 3.39Å; R188-L191 VanDerWaalsContact O-N 3.16Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 2.86Å; L191-L194 PolarHBondContact O-N 3.02Å; L191-L195 HydrophobicContact CD1-CD1 4.16Å; L191-L195 HydrophobicContact CD1-CG 4.24Å; L191-L195 HydrophobicContact CG-CD1 4Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-L195 PolarHBondContact O-N 2.94Å
192S98.1Very high97.3Very high0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-54.8-45171175.60000111.7G180 M184 R188 I189 L195 I196G180-S192 WeakPolarHBondContact O-CB 3.31Å; G180-S192 PolarHBondContact O-OG 2.88Å; M184-S192 WeakPolarHBondContact CB-OG 3.48Å; R188-S192 PolarHBondContact O-N 3.24Å; I189-S192 WeakPolarHBondContact O-CB 3.49Å; I189-S192 PolarHBondContact O-N 2.71Å; S192-L195 PolarHBondContact O-N 3.28Å; S192-I196 WeakPolarHBondContact O-CB 3.33Å; S192-I196 VanDerWaalsContact O-CG1 3.28Å; S192-I196 WeakPolarHBondContact O-CG1 3.39Å; S192-I196 PolarHBondContact O-N 3.19Å
193S98.3Very high97.2Very high0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-66.8-41.1-178-540000111.5I189 L190 L191 I196 A197 L213 C267I189-S193 WeakPolarHBondContact O-CB 3.17Å; I189-S193 PolarHBondContact O-N 3.13Å; I189-S193 PolarHBondContact O-OG 2.86Å; L190-S193 PolarHBondContact O-N 2.88Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 2.86Å; S193-I196 PolarHBondContact O-N 3.36Å; S193-A197 WeakPolarHBondContact O-CB 3.26Å; S193-A197 PolarHBondContact O-N 2.95Å; S193-L213 WeakPolarHBondContact OG-CD2 3.38Å; S193-C267 PolarHBondContact O-SG 2.73Å; S193-C267 VanDerWaalsContact O-SG 3.41Å
194L98.4Very high97.1Very high66 Ų6639 Ų3935%0.34619%0.189SC..Hα-helixtrans-63.1-43.4174.4-69.7170.7000112.1L190 L191 A197 F198 L266L190-L194 HydrophobicContact CG-CD1 4.45Å; L190-L194 WeakPolarHBondContact O-CG 3.41Å; L190-L194 PolarHBondContact O-N 3.13Å; L191-L194 PolarHBondContact O-N 3.02Å; L194-A197 WeakPolarHBondContact O-CB 3.29Å; L194-A197 PolarHBondContact O-N 3.17Å; L194-F198 WeakPolarHBondContact O-CD2 3.45Å; L194-F198 WeakPolarHBondContact O-CG 3.22Å; L194-F198 PolarHBondContact O-N 2.94Å; L194-L266 HydrophobicContact CD2-CD1 4.41Å; L194-L266 HydrophobicContact CD2-CD2 4.01Å; L194-L266 HydrophobicContact CG-CD2 4.46Å
195L98.5Very high97.1Very high17 Ų1739.9 Ų39.99%0.08919%0.194CC..Hα-helixtrans-66.3-40.2177.6-67.8167.6000111.7F176 F183 L191 S192 A197 F198 S199F176-L195 WeakPolarHBondContact CB-O 3.37Å; F176-L195 HydrophobicContact CD1-CD2 3.74Å; F176-L195 HydrophobicContact CE1-CD2 4.13Å; F183-L195 HydrophobicContact CD2-CD1 3.36Å; F183-L195 HydrophobicContact CE2-CD1 3.9Å; F183-L195 HydrophobicContact CG-CD1 4.26Å; L191-L195 HydrophobicContact CD1-CD1 4.16Å; L191-L195 HydrophobicContact CD1-CG 4.24Å; L191-L195 HydrophobicContact CG-CD1 4Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-L195 PolarHBondContact O-N 2.94Å; S192-L195 PolarHBondContact O-N 3.28Å; L195-A197 VanDerWaalsContact C-N 3.33Å; L195-A197 PolarHBondContact O-N 3.27Å; L195-F198 PolarHBondContact O-N 2.84Å; L195-S199 PolarHBondContact O-N 3.39Å
196I98.5Very high97.2Very high1 Ų138.9 Ų38.91%0.00519%0.19CC..Hα-helixtrans-62.2-42.5172.5-70169.5000110.4S192 S193 F198 S199 V200 N209 I210 L213 C267S192-I196 WeakPolarHBondContact O-CB 3.33Å; S192-I196 VanDerWaalsContact O-CG1 3.28Å; S192-I196 WeakPolarHBondContact O-CG1 3.39Å; S192-I196 PolarHBondContact O-N 3.19Å; S193-I196 PolarHBondContact O-N 3.36Å; I196-F198 VanDerWaalsContact C-N 3.31Å; I196-F198 PolarHBondContact O-N 2.67Å; I196-S199 WeakPolarHBondContact O-CA 3.11Å; I196-S199 WeakPolarHBondContact O-CB 3.29Å; I196-S199 PolarHBondContact O-N 2.66Å; I196-S199 PolarHBondContact O-OG 3.4Å; I196-V200 PolarHBondContact O-N 2.87Å; I196-N209 HydrophobicContact CG2-CB 3.9Å; I196-I210 HydrophobicContact CG2-CG1 4.29Å; I196-L213 HydrophobicContact CD1-CB 3.92Å; I196-C267 HydrophobicContact CG2-CB 3.9Å
197A98.6Very high97.3Very high7 Ų739.1 Ų39.16%0.05819%0.191CC..Hα-helixtrans-57.5-44.2173.800000111.6S193 L194 L195 S199 V200 M201 P270S193-A197 WeakPolarHBondContact O-CB 3.26Å; S193-A197 PolarHBondContact O-N 2.95Å; L194-A197 WeakPolarHBondContact O-CB 3.29Å; L194-A197 PolarHBondContact O-N 3.17Å; L195-A197 VanDerWaalsContact C-N 3.33Å; L195-A197 PolarHBondContact O-N 3.27Å; A197-S199 VanDerWaalsContact C-N 3.3Å; A197-S199 PolarHBondContact O-N 2.98Å; A197-V200 WeakPolarHBondContact O-CB 3.36Å; A197-V200 PolarHBondContact O-N 3.28Å; A197-V200 VanDerWaalsContact O-N 3.13Å; A197-M201 PolarHBondContact O-N 3.33Å; A197-P270 HydrophobicContact CB-CG 3.92Å; A197-P270 WeakPolarHBondContact O-CG 3.23Å
198F98.5Very high97.5Very high86 Ų8636.8 Ų36.838%0.37718%0.179SC..Hα-helixtrans-65.1-31.3175-66.6-49.9000113.3F176 L194 L195 I196 M201 C202F176-F198 HydrophobicContact CB-CB 4.42Å; F176-F198 HydrophobicContact CD1-CB 3.8Å; F176-F198 HydrophobicContact CD1-CD2 4.48Å; F176-F198 HydrophobicContact CD2-CB 3.63Å; F176-F198 HydrophobicContact CE1-CB 3.86Å; F176-F198 HydrophobicContact CE1-CD2 4.11Å; F176-F198 HydrophobicContact CE1-CG 4.24Å; F176-F198 HydrophobicContact CE2-CB 3.66Å; F176-F198 HydrophobicContact CE2-CG 4.47Å; F176-F198 HydrophobicContact CG-CB 3.7Å; F176-F198 HydrophobicContact CZ-CB 3.79Å; F176-F198 HydrophobicContact CZ-CD2 4.44Å; F176-F198 HydrophobicContact CZ-CG 4.2Å; L194-F198 WeakPolarHBondContact O-CD2 3.45Å; L194-F198 WeakPolarHBondContact O-CG 3.22Å; L194-F198 PolarHBondContact O-N 2.94Å; L195-F198 PolarHBondContact O-N 2.84Å; I196-F198 VanDerWaalsContact C-N 3.31Å; I196-F198 PolarHBondContact O-N 2.67Å; F198-M201 HydrophobicContact CD1-CE 3.83Å; F198-M201 HydrophobicContact CD1-SD 4.35Å; F198-M201 HydrophobicContact CE1-CE 4.44Å; F198-M201 WeakPolarHBondContact O-CB 3.12Å; F198-M201 PolarHBondContact O-N 3.15Å; F198-C202 PolarHBondContact O-N 3.47Å; F198-C202 PolarHBondContact O-SG 3.11Å
199S98.5Very high97.6Very high0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-63.8-41.5170.9820000111.6F173 L195 I196 A197 M201 C202 R203 N209F173-S199 VanDerWaalsContact CD2-O 3.27Å; F173-S199 WeakPolarHBondContact CD2-O 3.25Å; L195-S199 PolarHBondContact O-N 3.39Å; I196-S199 WeakPolarHBondContact O-CA 3.11Å; I196-S199 WeakPolarHBondContact O-CB 3.29Å; I196-S199 PolarHBondContact O-N 2.66Å; I196-S199 PolarHBondContact O-OG 3.4Å; A197-S199 VanDerWaalsContact C-N 3.3Å; A197-S199 PolarHBondContact O-N 2.98Å; S199-M201 VanDerWaalsContact C-N 3.29Å; S199-M201 PolarHBondContact O-N 3.44Å; S199-C202 WeakPolarHBondContact O-CB 3.43Å; S199-C202 PolarHBondContact O-N 3.26Å; S199-R203 PolarHBondContact O-N 3Å; S199-N209 PolarHBondContact OG-ND2 3.25Å
200V98.5Very high97.7Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-62-38.3174.3175.60000111F87 I196 A197 C202 R203 G206 L207 C267 P270 F271F87-V200 WeakPolarHBondContact CD1-O 3.21Å; F87-V200 WeakPolarHBondContact CE1-O 3.32Å; I196-V200 PolarHBondContact O-N 2.87Å; A197-V200 WeakPolarHBondContact O-CB 3.36Å; A197-V200 PolarHBondContact O-N 3.28Å; A197-V200 VanDerWaalsContact O-N 3.13Å; V200-C202 PolarHBondContact O-N 3.04Å; V200-R203 CarbonylContact O-C 3.59Å; V200-R203 PolarHBondContact O-N 3.24Å; V200-R203 VanDerWaalsContact O-O 3.11Å; V200-G206 VanDerWaalsContact CG2-C 3.44Å; V200-G206 WeakPolarHBondContact CG2-O 3.22Å; V200-L207 HydrophobicContact CG1-CD2 3.74Å; V200-L207 HydrophobicContact CG1-CG 4.09Å; V200-L207 HydrophobicContact CG2-CD2 4.14Å; V200-L207 HydrophobicContact CG2-CG 4.49Å; V200-C267 WeakPolarHBondContact CG2-O 3.25Å; V200-P270 HydrophobicContact CG1-CB 4.49Å; V200-F271 HydrophobicContact CG1-CB 3.74Å
201M97.7Very high97.7Very high42 Ų4226.1 Ų26.121%0.20715%0.145CC..Hα-helixtrans-64.2-22.5176-167.417872.500113F87 P88 G89 A197 F198 S199 P270F87-M201 WeakPolarHBondContact CB-O 3.19Å; P88-M201 HydrophobicContact CG-CG 4.26Å; G89-M201 WeakPolarHBondContact CA-O 3.41Å; G89-M201 PolarHBondContact N-O 3.19Å; A197-M201 PolarHBondContact O-N 3.33Å; F198-M201 HydrophobicContact CD1-CE 3.83Å; F198-M201 HydrophobicContact CD1-SD 4.35Å; F198-M201 HydrophobicContact CE1-CE 4.44Å; F198-M201 WeakPolarHBondContact O-CB 3.12Å; F198-M201 PolarHBondContact O-N 3.15Å; S199-M201 VanDerWaalsContact C-N 3.29Å; S199-M201 PolarHBondContact O-N 3.44Å; M201-P270 HydrophobicContact CB-CB 3.91Å; M201-P270 HydrophobicContact CG-CB 4.39Å
202C98.1Very high97.7Very high1 Ų123 Ų231%0.00713%0.128CC..Hα-helixtrans-87-36.5178.5-61.70000112.5F87 S169 L172 F173 F198 S199 V200F87-C202 WeakPolarHBondContact CB-O 3.48Å; S169-C202 PolarHBondContact OG-O 3.09Å; L172-C202 VanDerWaalsContact CD2-SG 3.54Å; L172-C202 VanDerWaalsContact CG-SG 3.57Å; F173-C202 HydrophobicContact CB-CB 3.89Å; F173-C202 HydrophobicContact CD2-CB 4.17Å; F198-C202 PolarHBondContact O-N 3.47Å; F198-C202 PolarHBondContact O-SG 3.11Å; S199-C202 WeakPolarHBondContact O-CB 3.43Å; S199-C202 PolarHBondContact O-N 3.26Å; V200-C202 PolarHBondContact O-N 3.04Å
203R96.6Very high97.7Very high32 Ų3223 Ų2312%0.12113%0.128CC..  trans-156.3146.4-176.1-51.9-179.268.594.5-8.6112.1S169 E170 F173 S199 V200 N205 G206S169-R203 WeakPolarHBondContact OG-CG 3.17Å; S169-R203 PolarHBondContact OG-NH1 3.13Å; E170-R203 IonicContact OE1-CZ 3.45Å; E170-R203 IonicContact OE1-NH1 2.74Å; E170-R203 PolarHBondContact OE1-NH1 2.76Å; E170-R203 IonicContact OE1-NH2 3.59Å; E170-R203 IonicContact OE2-NH1 3.08Å; E170-R203 PolarHBondContact OE2-NH1 3.06Å; E170-R203 VanDerWaalsContact OE2-NH1 3.08Å; F173-R203 HydrophobicContact CB-CG 4.08Å; F173-R203 HydrophobicContact CD2-CB 4.01Å; F173-R203 HydrophobicContact CD2-CG 3.96Å; F173-R203 HydrophobicContact CE2-CB 4.26Å; F173-R203 HydrophobicContact CG-CB 4.42Å; F173-R203 HydrophobicContact CG-CG 3.92Å; S199-R203 PolarHBondContact O-N 3Å; V200-R203 CarbonylContact O-C 3.59Å; V200-R203 PolarHBondContact O-N 3.24Å; V200-R203 VanDerWaalsContact O-O 3.11Å; R203-N205 VanDerWaalsContact C-N 3.31Å; R203-N205 WeakPolarHBondContact CB-OD1 3.39Å; R203-N205 PolarHBondContact NE-OD1 2.8Å; R203-N205 VanDerWaalsContact NE-OD1 3.09Å; R203-N205 PolarHBondContact O-N 2.99Å; R203-G206 PolarHBondContact O-N 3.43Å
204S95.1Very high97.5Very high25 Ų2523.8 Ų23.818%0.17514%0.137CC..G310 helixtrans-59.1-37.3176.959.30000113.6G206 L207 Y337S204-G206 PolarHBondContact O-N 3.02Å; S204-G206 VanDerWaalsContact O-N 3.11Å; S204-L207 WeakPolarHBondContact O-CB 3.48Å; S204-L207 WeakPolarHBondContact O-CG 3.29Å; S204-L207 PolarHBondContact O-N 2.96Å; S204-Y337 PolarHBondContact OG-OH 3.03Å
205N95Very high97.4Very high21 Ų2122.4 Ų22.411%0.11213%0.127CC..G310 helixtrans-65-13.9177.263.4-72.1000112.9F173 R203 L207 L208 L411 S431F173-N205 WeakPolarHBondContact CE1-ND2 3.1Å; F173-N205 VanDerWaalsContact CZ-ND2 3.27Å; F173-N205 WeakPolarHBondContact CZ-ND2 3.27Å; R203-N205 VanDerWaalsContact C-N 3.31Å; R203-N205 WeakPolarHBondContact CB-OD1 3.39Å; R203-N205 PolarHBondContact NE-OD1 2.8Å; R203-N205 VanDerWaalsContact NE-OD1 3.09Å; R203-N205 PolarHBondContact O-N 2.99Å; N205-L207 PolarHBondContact O-N 3Å; N205-L208 WeakPolarHBondContact O-CB 3.46Å; N205-L208 PolarHBondContact O-N 2.63Å; N205-L208 VanDerWaalsContact O-N 3.13Å; N205-L411 HydrophobicContact CB-CD2 4.32Å; N205-S431 PolarHBondContact ND2-OG 3.09Å
206G97.4Very high97.2Very high0 Ų022.3 Ų22.30%013%0.126CC..G310 helixtrans-60.5-21.7167.900000113.9F173 V200 R203 S204 L208 N209F173-G206 VanDerWaalsContact CE2-CA 3.48Å; V200-G206 VanDerWaalsContact CG2-C 3.44Å; V200-G206 WeakPolarHBondContact CG2-O 3.22Å; R203-G206 PolarHBondContact O-N 3.43Å; S204-G206 PolarHBondContact O-N 3.02Å; S204-G206 VanDerWaalsContact O-N 3.11Å; G206-L208 PolarHBondContact O-N 3.34Å; G206-N209 VanDerWaalsContact O-CB 3.22Å; G206-N209 WeakPolarHBondContact O-CB 3.27Å; G206-N209 PolarHBondContact O-N 3.09Å
207L97.6Very high97Very high57 Ų5723.1 Ų23.130%0.29813%0.13SC..G310 helixtrans-59.7-29.6174-73.3171.8000111.8V200 S204 N205 N209 I210 F271V200-L207 HydrophobicContact CG1-CD2 3.74Å; V200-L207 HydrophobicContact CG1-CG 4.09Å; V200-L207 HydrophobicContact CG2-CD2 4.14Å; V200-L207 HydrophobicContact CG2-CG 4.49Å; S204-L207 WeakPolarHBondContact O-CB 3.48Å; S204-L207 WeakPolarHBondContact O-CG 3.29Å; S204-L207 PolarHBondContact O-N 2.96Å; N205-L207 PolarHBondContact O-N 3Å; L207-N209 PolarHBondContact O-N 3.45Å; L207-I210 HydrophobicContact CD2-CD1 3.99Å; L207-I210 VanDerWaalsContact O-CB 3.26Å; L207-I210 WeakPolarHBondContact O-CB 3.16Å; L207-I210 VanDerWaalsContact O-CG1 3.23Å; L207-I210 WeakPolarHBondContact O-CG1 3.43Å; L207-I210 PolarHBondContact O-N 2.94Å; L207-F271 HydrophobicContact CD1-CB 4.45Å; L207-F271 HydrophobicContact CD1-CD1 4.38Å; L207-F271 HydrophobicContact CD1-CD2 3.82Å; L207-F271 HydrophobicContact CD1-CE2 4.15Å; L207-F271 HydrophobicContact CD1-CG 3.96Å; L207-F271 HydrophobicContact CD2-CB 4.02Å; L207-F271 HydrophobicContact CD2-CG 4.36Å
208L97.5Very high96.6Very high46 Ų4626.2 Ų26.224%0.24115%0.148CC..G310 helixtrans-68.4-23.8176.8-164.766.9000112.3N205 G206 I210 G211 H407 F410 L411N205-L208 WeakPolarHBondContact O-CB 3.46Å; N205-L208 PolarHBondContact O-N 2.63Å; N205-L208 VanDerWaalsContact O-N 3.13Å; G206-L208 PolarHBondContact O-N 3.34Å; L208-I210 PolarHBondContact O-N 2.91Å; L208-G211 PolarHBondContact O-N 2.95Å; L208-H407 VanDerWaalsContact CD2-CD2 3.4Å; L208-H407 WeakPolarHBondContact CD2-CD2 3.38Å; L208-H407 WeakPolarHBondContact CG-CD2 3.36Å; L208-F410 HydrophobicContact CD1-CD1 3.72Å; L208-F410 HydrophobicContact CD1-CE1 3.88Å; L208-F410 HydrophobicContact CD1-CG 4.35Å; L208-F410 HydrophobicContact CD2-CD1 3.45Å; L208-F410 VanDerWaalsContact CD2-CD1 3.45Å; L208-F410 HydrophobicContact CD2-CE1 4.07Å; L208-F410 HydrophobicContact CD2-CG 4.35Å; L208-F410 HydrophobicContact CG-CD1 4.25Å; L208-L411 HydrophobicContact CD2-CD1 4.09Å; L208-L411 HydrophobicContact CD2-CD2 3.69Å; L208-L411 HydrophobicContact CD2-CG 3.52Å
209N98.3Very high96.2Very high1 Ų124 Ų241%0.00514%0.141CC..G310 helixtrans-64.4-22.1176.2-67.6-27.4000112.5T177 I196 S199 G206 L207 G211 Y212 H407T177-N209 PolarHBondContact OG1-ND2 3.22Å; I196-N209 HydrophobicContact CG2-CB 3.9Å; S199-N209 PolarHBondContact OG-ND2 3.25Å; G206-N209 VanDerWaalsContact O-CB 3.22Å; G206-N209 WeakPolarHBondContact O-CB 3.27Å; G206-N209 PolarHBondContact O-N 3.09Å; L207-N209 PolarHBondContact O-N 3.45Å; N209-G211 PolarHBondContact O-N 3.35Å; N209-Y212 HydrophobicContact CB-CD2 4.33Å; N209-Y212 WeakPolarHBondContact O-CB 3.37Å; N209-Y212 PolarHBondContact O-N 3.15Å; N209-Y212 VanDerWaalsContact O-N 3.08Å; N209-H407 PolarHBondContact OD1-NE2 3.16Å
210I98Very high95.6Very high31 Ų3129.1 Ų29.116%0.15916%0.161CC..Hα-helixtrans-58.8-31.5172.7-57.5179.5000110.5I196 L207 L208 Y212 L213 G214 L264 C267I196-I210 HydrophobicContact CG2-CG1 4.29Å; L207-I210 HydrophobicContact CD2-CD1 3.99Å; L207-I210 VanDerWaalsContact O-CB 3.26Å; L207-I210 WeakPolarHBondContact O-CB 3.16Å; L207-I210 VanDerWaalsContact O-CG1 3.23Å; L207-I210 WeakPolarHBondContact O-CG1 3.43Å; L207-I210 PolarHBondContact O-N 2.94Å; L208-I210 PolarHBondContact O-N 2.91Å; I210-Y212 VanDerWaalsContact C-N 3.32Å; I210-Y212 PolarHBondContact O-N 3.21Å; I210-L213 PolarHBondContact O-N 2.99Å; I210-G214 PolarHBondContact O-N 3.03Å; I210-L264 HydrophobicContact CG2-CB 4.37Å; I210-L264 HydrophobicContact CG2-CD2 3.61Å; I210-C267 HydrophobicContact CD1-CB 3.83Å; I210-C267 HydrophobicContact CG1-CB 3.62Å
211G97.2Very high95Very high46 Ų4629.9 Ų29.947%0.47417%0.166SC..Hα-helixtrans-61-36.8175.400000113.3L208 N209 Y215L208-G211 PolarHBondContact O-N 2.95Å; N209-G211 PolarHBondContact O-N 3.35Å; G211-Y215 WeakPolarHBondContact O-CB 3.28Å; G211-Y215 PolarHBondContact O-N 2.89Å
212Y97.7Very high94.4Very high3 Ų332 Ų321%0.01218%0.178CC..Hα-helixtrans-62.3-47.1174.2-69.6-69000111.4L181 N209 I210 Y215 F216 P403 Y404 H407L181-Y212 HydrophobicContact CD1-CE2 4.46Å; L181-Y212 HydrophobicContact CD2-CD1 4Å; L181-Y212 HydrophobicContact CD2-CD2 3.74Å; L181-Y212 HydrophobicContact CD2-CE2 4.39Å; L181-Y212 HydrophobicContact CD2-CG 3.55Å; N209-Y212 HydrophobicContact CB-CD2 4.33Å; N209-Y212 WeakPolarHBondContact O-CB 3.37Å; N209-Y212 PolarHBondContact O-N 3.15Å; N209-Y212 VanDerWaalsContact O-N 3.08Å; I210-Y212 VanDerWaalsContact C-N 3.32Å; I210-Y212 PolarHBondContact O-N 3.21Å; Y212-Y215 PolarHBondContact O-N 2.75Å; Y212-F216 VanDerWaalsContact O-CB 3.28Å; Y212-F216 WeakPolarHBondContact O-CB 3.41Å; Y212-F216 PolarHBondContact O-N 3.33Å; Y212-P403 HydrophobicContact CD1-CB 3.73Å; Y212-P403 HydrophobicContact CD1-CG 4.11Å; Y212-P403 HydrophobicContact CE1-CB 4.04Å; Y212-P403 HydrophobicContact CE1-CG 4.45Å; Y212-Y404 AromaticContact CE1-CD1 3.62Å; Y212-Y404 HydrophobicContact CE1-CD1 3.62Å; Y212-Y404 HydrophobicContact CE1-CD2 4.29Å; Y212-Y404 AromaticContact CE1-CE1 3.96Å; Y212-Y404 HydrophobicContact CE1-CE1 3.96Å; Y212-Y404 AromaticContact CE1-CG 3.82Å; Y212-Y404 HydrophobicContact CE1-CG 3.82Å; Y212-Y404 AromaticContact CZ-CD1 3.97Å; Y212-H407 HydrophobicContact CE1-CB 4.24Å; Y212-H407 HydrophobicContact CE2-CB 4.21Å; Y212-H407 AromaticContact CE2-CD2 3.22Å; Y212-H407 WeakPolarHBondContact CE2-CD2 3.41Å; Y212-H407 AromaticContact CE2-CG 3.66Å; Y212-H407 AromaticContact CE2-NE2 3.56Å; Y212-H407 AromaticContact CZ-CD2 3.62Å; Y212-H407 AromaticContact CZ-CG 3.53Å; Y212-H407 VanDerWaalsContact OH-CB 3.28Å; Y212-H407 WeakPolarHBondContact OH-CB 3.28Å; Y212-H407 PolarHBondContact OH-ND1 3.46Å
213L97.2Very high93.8Very high0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-63.8-46.9179.6-17664.6000111.3M184 I189 S193 I196 I210 Y215 F216 M217 L264 C267M184-L213 HydrophobicContact CG-CD1 4.46Å; M184-L213 HydrophobicContact SD-CD1 4.32Å; I189-L213 HydrophobicContact CG2-CD1 3.98Å; S193-L213 WeakPolarHBondContact OG-CD2 3.38Å; I196-L213 HydrophobicContact CD1-CB 3.92Å; I210-L213 PolarHBondContact O-N 2.99Å; L213-Y215 PolarHBondContact O-N 3.42Å; L213-F216 PolarHBondContact O-N 3.41Å; L213-M217 HydrophobicContact CD1-CE 3.75Å; L213-M217 HydrophobicContact CD2-CE 4.01Å; L213-M217 HydrophobicContact CG-CE 3.73Å; L213-M217 HydrophobicContact CG-SD 4.25Å; L213-M217 WeakPolarHBondContact O-CB 3.44Å; L213-M217 VanDerWaalsContact O-CG 3.29Å; L213-M217 WeakPolarHBondContact O-CG 3.41Å; L213-M217 PolarHBondContact O-N 3.37Å; L213-L264 HydrophobicContact CB-CD2 4.45Å; L213-L264 HydrophobicContact CD2-CD2 4.19Å; L213-L264 HydrophobicContact CG-CD2 4.31Å; L213-C267 VanDerWaalsContact CD2-SG 3.58Å
214G95.8Very high93.2Very high18 Ų1841.3 Ų41.319%0.18622%0.222CC..Hα-helixtrans-59.5-46.8177.300000111.9I210 F216 M217 V218I210-G214 PolarHBondContact O-N 3.03Å; G214-F216 PolarHBondContact O-N 2.9Å; G214-M217 PolarHBondContact O-N 3.05Å; G214-V218 WeakPolarHBondContact O-CG2 3.4Å; G214-V218 PolarHBondContact O-N 3.39Å
215Y96Very high92.5Very high37 Ų3743.6 Ų43.615%0.14523%0.234CC..Hα-helixtrans-57.8-50.4175.2176.9-91.9000112G211 Y212 L213 M217 V218 V219 F389 R399 V402 P403G211-Y215 WeakPolarHBondContact O-CB 3.28Å; G211-Y215 PolarHBondContact O-N 2.89Å; Y212-Y215 PolarHBondContact O-N 2.75Å; L213-Y215 PolarHBondContact O-N 3.42Å; Y215-M217 VanDerWaalsContact C-N 3.32Å; Y215-M217 PolarHBondContact O-N 2.72Å; Y215-V218 PolarHBondContact O-N 3.39Å; Y215-V219 HydrophobicContact CD1-CG2 4.3Å; Y215-V219 HydrophobicContact CD2-CG2 4.38Å; Y215-V219 HydrophobicContact CE1-CB 4.44Å; Y215-V219 HydrophobicContact CE1-CG2 3.77Å; Y215-V219 HydrophobicContact CE2-CG2 3.87Å; Y215-V219 PolarHBondContact O-N 2.91Å; Y215-F389 VanDerWaalsContact CE2-O 3.27Å; Y215-F389 WeakPolarHBondContact CE2-O 3.05Å; Y215-R399 VanDerWaalsContact OH-CG 3.32Å; Y215-R399 WeakPolarHBondContact OH-CG 3.2Å; Y215-R399 PolarHBondContact OH-O 3.44Å; Y215-V402 HydrophobicContact CE2-CB 4.37Å; Y215-V402 HydrophobicContact CE2-CG1 4.18Å; Y215-P403 HydrophobicContact CD1-CB 4.03Å; Y215-P403 HydrophobicContact CD1-CG 3.52Å; Y215-P403 HydrophobicContact CD2-CB 4.42Å; Y215-P403 HydrophobicContact CE1-CG 3.76Å; Y215-P403 HydrophobicContact CG-CB 3.95Å; Y215-P403 HydrophobicContact CG-CG 3.97Å
216F94.6Very high92.1Very high14 Ų1444.3 Ų44.36%0.06124%0.238CC..Hα-helixtrans-59.4-44.3-179.4-179.9-83.8000111.5M184 Y185 I189 Y212 L213 G214 R220M184-F216 HydrophobicContact CE-CB 4.18Å; M184-F216 HydrophobicContact CE-CD2 4.08Å; M184-F216 HydrophobicContact CE-CG 4.34Å; M184-F216 HydrophobicContact CG-CB 4.05Å; M184-F216 HydrophobicContact CG-CD1 3.82Å; M184-F216 HydrophobicContact CG-CD2 3.71Å; M184-F216 HydrophobicContact CG-CE1 4.14Å; M184-F216 HydrophobicContact CG-CE2 3.99Å; M184-F216 HydrophobicContact CG-CG 3.58Å; M184-F216 HydrophobicContact CG-CZ 4.17Å; M184-F216 WeakPolarHBondContact O-CZ 3.49Å; M184-F216 HydrophobicContact SD-CB 3.56Å; M184-F216 VanDerWaalsContact SD-CB 3.56Å; M184-F216 HydrophobicContact SD-CD1 4.43Å; M184-F216 HydrophobicContact SD-CD2 4.08Å; M184-F216 HydrophobicContact SD-CG 3.79Å; Y185-F216 HydrophobicContact CD1-CE2 4.21Å; Y185-F216 HydrophobicContact CE1-CE2 4.43Å; I189-F216 HydrophobicContact CD1-CD1 4.03Å; I189-F216 HydrophobicContact CD1-CE1 3.38Å; I189-F216 HydrophobicContact CD1-CZ 4.08Å; Y212-F216 VanDerWaalsContact O-CB 3.28Å; Y212-F216 WeakPolarHBondContact O-CB 3.41Å; Y212-F216 PolarHBondContact O-N 3.33Å; L213-F216 PolarHBondContact O-N 3.41Å; G214-F216 PolarHBondContact O-N 2.9Å; F216-R220 VanDerWaalsContact CE2-CZ 3.49Å; F216-R220 VanDerWaalsContact CZ-CD 3.46Å; F216-R220 HydrophobicContact CZ-CG 4.49Å; F216-R220 VanDerWaalsContact CZ-CZ 3.47Å; F216-R220 PolarHBondContact O-N 3.34Å; F216-R220 VanDerWaalsContact O-N 3.1Å
217M92.6Very high91.4Very high19 Ų1949.3 Ų49.39%0.09426%0.264CS..Hα-helixtrans-61.1-44.8176.1-74.6177.9175.800111.7I189 L213 G214 Y215 S221 R260 L263I189-M217 HydrophobicContact CG2-CE 3.57Å; L213-M217 HydrophobicContact CD1-CE 3.75Å; L213-M217 HydrophobicContact CD2-CE 4.01Å; L213-M217 HydrophobicContact CG-CE 3.73Å; L213-M217 HydrophobicContact CG-SD 4.25Å; L213-M217 WeakPolarHBondContact O-CB 3.44Å; L213-M217 VanDerWaalsContact O-CG 3.29Å; L213-M217 WeakPolarHBondContact O-CG 3.41Å; L213-M217 PolarHBondContact O-N 3.37Å; G214-M217 PolarHBondContact O-N 3.05Å; Y215-M217 VanDerWaalsContact C-N 3.32Å; Y215-M217 PolarHBondContact O-N 2.72Å; M217-S221 VanDerWaalsContact O-CB 3.29Å; M217-S221 WeakPolarHBondContact O-CB 3.44Å; M217-S221 PolarHBondContact O-N 2.87Å; M217-S221 VanDerWaalsContact O-N 3.16Å; M217-S221 PolarHBondContact O-OG 2.86Å; M217-R260 HydrophobicContact SD-CB 3.9Å; M217-R260 HydrophobicContact SD-CG 3.97Å; M217-L263 HydrophobicContact CE-CB 3.73Å; M217-L263 HydrophobicContact CE-CD1 3.43Å; M217-L263 VanDerWaalsContact CE-CD1 3.43Å; M217-L263 HydrophobicContact CE-CG 4.24Å
218V90.7Very high90.3Very high71 Ų7151.6 Ų51.643%0.4327%0.268SS..Hα-helixtrans-63.2-51.2179.7169.40000110.5G214 Y215 R220 S221 F223G214-V218 WeakPolarHBondContact O-CG2 3.4Å; G214-V218 PolarHBondContact O-N 3.39Å; Y215-V218 PolarHBondContact O-N 3.39Å; V218-R220 VanDerWaalsContact C-N 3.34Å; V218-R220 PolarHBondContact O-N 3.19Å; V218-S221 PolarHBondContact O-N 3.38Å; V218-F223 HydrophobicContact CG1-CE2 4.45Å; V218-F223 HydrophobicContact CG1-CZ 4.27Å; V218-F223 WeakPolarHBondContact O-CE2 3.48Å
219V89.5Confident88.9Confident39 Ų3953.7 Ų53.724%0.23628%0.283CS..Hα-helixtrans-64.8-34.7-174.9164.70000113.2Y215 R399Y215-V219 HydrophobicContact CD1-CG2 4.3Å; Y215-V219 HydrophobicContact CD2-CG2 4.38Å; Y215-V219 HydrophobicContact CE1-CB 4.44Å; Y215-V219 HydrophobicContact CE1-CG2 3.77Å; Y215-V219 HydrophobicContact CE2-CG2 3.87Å; Y215-V219 PolarHBondContact O-N 2.91Å; V219-R399 VanDerWaalsContact CG1-CD 3.42Å; V219-R399 HydrophobicContact CG1-CG 4.26Å
220R86.3Confident87.2Confident108 Ų10860.4 Ų60.441%0.40832%0.319SS..Hα-helixtrans-90.9-1.5179.1-68.6-162.4173.9-178.8-3.5114.1D187 F216 V218D187-R220 IonicContact OD1-CZ 3.87Å; D187-R220 IonicContact OD1-NH1 2.69Å; D187-R220 PolarHBondContact OD1-NH1 3.25Å; D187-R220 IonicContact OD2-NH1 3.06Å; D187-R220 PolarHBondContact OD2-NH1 3.16Å; F216-R220 VanDerWaalsContact CE2-CZ 3.49Å; F216-R220 VanDerWaalsContact CZ-CD 3.46Å; F216-R220 HydrophobicContact CZ-CG 4.49Å; F216-R220 VanDerWaalsContact CZ-CZ 3.47Å; F216-R220 PolarHBondContact O-N 3.34Å; F216-R220 VanDerWaalsContact O-N 3.1Å; V218-R220 VanDerWaalsContact C-N 3.34Å; V218-R220 PolarHBondContact O-N 3.19Å
221S87.4Confident85.4Confident16 Ų1661.9 Ų61.911%0.11233%0.325CS..  trans-77.1132.9-178.6-74.70000112.2M217 V218 F223 R260M217-S221 VanDerWaalsContact O-CB 3.29Å; M217-S221 WeakPolarHBondContact O-CB 3.44Å; M217-S221 PolarHBondContact O-N 2.87Å; M217-S221 VanDerWaalsContact O-N 3.16Å; M217-S221 PolarHBondContact O-OG 2.86Å; V218-S221 PolarHBondContact O-N 3.38Å; S221-F223 WeakPolarHBondContact O-CD2 3.47Å; S221-F223 PolarHBondContact O-N 3.46Å; S221-R260 PolarHBondContact OG-NE 2.99Å; S221-R260 VanDerWaalsContact OG-NE 3.09Å; S221-R260 PolarHBondContact OG-NH2 2.94Å
222N84Confident83.7Confident87 Ų8763 Ų6347%0.46532%0.323SS..  trans-79.697.1167.4-172.41.2000110.3Q224N222-Q224 PolarHBondContact ND2-OE1 3.43Å; N222-Q224 PolarHBondContact O-N 3.38Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.3Å; N222-Q224 WeakPolarHBondContact OD1-CG 3.25Å; N222-Q224 PolarHBondContact OD1-N 2.93Å; N222-Q224 PolarHBondContact OD1-OE1 3.24Å
223F86Confident82Confident93 Ų9371.1 Ų71.141%0.40836%0.36SS..G310 helixtrans-70.7-9.4177.4-72.7-84000114V218 S221 V225 L226 F256V218-F223 HydrophobicContact CG1-CE2 4.45Å; V218-F223 HydrophobicContact CG1-CZ 4.27Å; V218-F223 WeakPolarHBondContact O-CE2 3.48Å; S221-F223 WeakPolarHBondContact O-CD2 3.47Å; S221-F223 PolarHBondContact O-N 3.46Å; F223-V225 PolarHBondContact O-N 3.24Å; F223-V225 VanDerWaalsContact O-N 3.16Å; F223-L226 HydrophobicContact CD1-CD1 3.92Å; F223-L226 HydrophobicContact CE1-CD1 4.5Å; F223-L226 WeakPolarHBondContact O-CB 3.44Å; F223-L226 PolarHBondContact O-N 3.48Å; F223-F256 HydrophobicContact CD1-CE1 4.32Å; F223-F256 AromaticContact CD1-CZ 3.95Å; F223-F256 HydrophobicContact CD1-CZ 3.95Å; F223-F256 HydrophobicContact CE1-CE1 4.02Å; F223-F256 AromaticContact CE1-CZ 3.89Å; F223-F256 HydrophobicContact CE1-CZ 3.89Å; F223-F256 HydrophobicContact CZ-CZ 4.4Å
224Q82.8Confident80.1Confident135 Ų13577.2 Ų77.263%0.63139%0.387SS*.G310 helixtrans-58.7-28.7176.7-65.9172.5-19.500112.5N222 L226 I227N222-Q224 PolarHBondContact ND2-OE1 3.43Å; N222-Q224 PolarHBondContact O-N 3.38Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.3Å; N222-Q224 WeakPolarHBondContact OD1-CG 3.25Å; N222-Q224 PolarHBondContact OD1-N 2.93Å; N222-Q224 PolarHBondContact OD1-OE1 3.24Å; Q224-L226 PolarHBondContact O-N 3.12Å; Q224-L226 VanDerWaalsContact O-N 3.15Å; Q224-I227 HydrophobicContact CG-CD1 4.44Å; Q224-I227 WeakPolarHBondContact O-CB 3.45Å; Q224-I227 PolarHBondContact O-N 2.97Å
225V81.7Confident78.2Confident73 Ų7378 Ų7844%0.44239%0.388SS..G310 helixtrans-60.7-23.5176.8-1800000112.5F223 N252F223-V225 PolarHBondContact O-N 3.24Å; F223-V225 VanDerWaalsContact O-N 3.16Å; V225-N252 HydrophobicContact CG1-CB 4.37Å
226L85.1Confident76.5Confident36 Ų3687.4 Ų87.419%0.18842%0.423CS..G310 helixtrans-90.6-12.9178.7-56.8-178.8000113.1F223 Q224 W228 W249 V253 F256 F257F223-L226 HydrophobicContact CD1-CD1 3.92Å; F223-L226 HydrophobicContact CE1-CD1 4.5Å; F223-L226 WeakPolarHBondContact O-CB 3.44Å; F223-L226 PolarHBondContact O-N 3.48Å; Q224-L226 PolarHBondContact O-N 3.12Å; Q224-L226 VanDerWaalsContact O-N 3.15Å; L226-W228 PolarHBondContact O-N 3.18Å; L226-W249 PolarHBondContact O-NE1 3.35Å; L226-V253 HydrophobicContact CD2-CB 4.5Å; L226-V253 HydrophobicContact CD2-CG2 3.98Å; L226-F256 HydrophobicContact CD1-CD1 4.1Å; L226-F256 HydrophobicContact CD1-CE1 3.98Å; L226-F256 HydrophobicContact CD1-CZ 4.39Å; L226-F256 HydrophobicContact CD2-CB 4.13Å; L226-F256 HydrophobicContact CD2-CD1 4.25Å; L226-F256 HydrophobicContact CD2-CG 4.12Å; L226-F256 HydrophobicContact CG-CD1 4.48Å; L226-F257 HydrophobicContact CD1-CE2 4Å; L226-F257 HydrophobicContact CD1-CZ 4.04Å; L226-F257 HydrophobicContact CD2-CE2 4.42Å
227I83.6Confident75.2Confident105 Ų10596 Ų9654%0.53846%0.46SS..  trans-74.7118-175.6-64.1-179.8000109.4Q224 V229Q224-I227 HydrophobicContact CG-CD1 4.44Å; Q224-I227 WeakPolarHBondContact O-CB 3.45Å; Q224-I227 PolarHBondContact O-N 2.97Å; I227-V229 VanDerWaalsContact C-N 3.35Å; I227-V229 HydrophobicContact CG2-CB 3.79Å; I227-V229 HydrophobicContact CG2-CG2 3.21Å; I227-V229 PolarHBondContact O-N 3.2Å
228W75.2Confident74.6Confident105 Ų10597.8 Ų97.840%0.39848%0.475SS..  trans-89.164.4179.8-1697.6000111.2L226 F242L226-W228 PolarHBondContact O-N 3.18Å; W228-F242 AromaticContact CH2-CE2 4Å; W228-F242 HydrophobicContact CH2-CE2 4Å; W228-F242 HydrophobicContact CH2-CZ 4.2Å; W228-F242 AromaticContact CZ2-CE2 3.94Å; W228-F242 HydrophobicContact CZ2-CE2 3.94Å
229V68.1Low74.4Confident91 Ų91102 Ų10255%0.55249%0.488SS*.  trans-109.4-47-174.7170.70000113.2I227 E231I227-V229 VanDerWaalsContact C-N 3.35Å; I227-V229 HydrophobicContact CG2-CB 3.79Å; I227-V229 HydrophobicContact CG2-CG2 3.21Å; I227-V229 PolarHBondContact O-N 3.2Å; V229-E231 PolarHBondContact O-N 3.24Å
230D61.6Low74.2Confident142 Ų142105.5 Ų105.576%0.75950%0.504SS*.THydrogen-bonded Turntrans-75.1-19.4-165.3-68.8-23.4000115.6
231E59.9Low74.1Confident61 Ų61102.3 Ų102.329%0.28550%0.498SS..THydrogen-bonded Turntrans-106.2-8.6-169.5-71.3-73.8148.300113.7V229 H233 K234 T235 L245V229-E231 PolarHBondContact O-N 3.24Å; E231-H233 VanDerWaalsContact C-N 3.28Å; E231-H233 PolarHBondContact O-N 3.48Å; E231-K234 PolarHBondContact O-N 2.88Å; E231-K234 IonicContact OE1-NZ 2.77Å; E231-K234 PolarHBondContact OE1-NZ 2.85Å; E231-K234 WeakPolarHBondContact OE2-CD 3.46Å; E231-K234 IonicContact OE2-NZ 3.67Å; E231-T235 PolarHBondContact O-N 3.18Å; E231-L245 HydrophobicContact CB-CD1 3.4Å; E231-L245 HydrophobicContact CB-CD2 3.47Å; E231-L245 VanDerWaalsContact CB-CD2 3.47Å; E231-L245 HydrophobicContact CB-CG 4.07Å; E231-L245 HydrophobicContact CG-CD1 3.73Å
232V61.4Low74Confident71 Ų71105.8 Ų105.843%0.4351%0.511SS..G310 helixtrans-62.4-36.1180-178.90000111K234 T235V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 3.47Å; V232-T235 PolarHBondContact O-N 2.69Å; V232-T235 PolarHBondContact O-OG1 3.09Å
233H62.7Low74.2Confident172 Ų172105.7 Ų105.780%0.79651%0.511SS*.G310 helixtrans-66.9-24.5176.7-73.9-65.5000114E231E231-H233 VanDerWaalsContact C-N 3.28Å; E231-H233 PolarHBondContact O-N 3.48Å
234K56.7Low74.3Confident129 Ų129106.4 Ų106.456%0.56152%0.518SS*.G310 helixtrans-81.5-21.7175.7-73.5170.4-178.2170.90113.2E231 V232 R236E231-K234 PolarHBondContact O-N 2.88Å; E231-K234 IonicContact OE1-NZ 2.77Å; E231-K234 PolarHBondContact OE1-NZ 2.85Å; E231-K234 WeakPolarHBondContact OE2-CD 3.46Å; E231-K234 IonicContact OE2-NZ 3.67Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 3.47Å; K234-R236 PolarHBondContact O-N 2.77Å; K234-R236 VanDerWaalsContact O-N 3.17Å
235T56.8Low74.4Confident33 Ų33101 Ų10120%0.20249%0.493CS..G310 helixtrans-68.1-10.2-176.160.20000115.6E231 V232 K237 F242 L245E231-T235 PolarHBondContact O-N 3.18Å; V232-T235 PolarHBondContact O-N 2.69Å; V232-T235 PolarHBondContact O-OG1 3.09Å; T235-K237 PolarHBondContact O-N 3.26Å; T235-F242 HydrophobicContact CG2-CD2 4.19Å; T235-L245 HydrophobicContact CG2-CD2 3.34Å
236R60.1Low74.7Confident236 Ų23698.6 Ų98.689%0.89148%0.48SS*.G310 helixtrans-66.7-1.3178.1-76.8-168.4177.1-177.10115.1K234K234-R236 PolarHBondContact O-N 2.77Å; K234-R236 VanDerWaalsContact O-N 3.17Å
237K66.1Low75Confident193 Ų193101.2 Ų101.284%0.83949%0.493SS*.G310 helixtrans-96.2-29.6-171-64.8-169.7178.5-174.80115.3T235T235-K237 PolarHBondContact O-N 3.26Å
238S81Confident75.3Confident58 Ų58102 Ų10241%0.40649%0.493SS..  trans-171.9148.2178.9172.60000113.2I240 S241 F242S238-I240 PolarHBondContact O-N 3.21Å; S238-I240 PolarHBondContact OG-N 2.98Å; S238-S241 PolarHBondContact N-OG 3.13Å; S238-S241 WeakPolarHBondContact O-CB 3.47Å; S238-S241 PolarHBondContact O-N 3Å; S238-S241 PolarHBondContact O-OG 3.24Å; S238-F242 PolarHBondContact O-N 2.94Å
239F86.2Confident76Confident159 Ų159100.1 Ų100.170%0.69749%0.485SS*.Hα-helixtrans-51.9-38170.4177.9-102.6000112.6S241 F242 L243F239-S241 VanDerWaalsContact C-N 3.32Å; F239-S241 PolarHBondContact O-N 3.5Å; F239-F242 PolarHBondContact O-N 3.44Å; F239-L243 PolarHBondContact O-N 2.9Å
240I86.4Confident77.1Confident112 Ų112103.3 Ų103.357%0.57449%0.488SS*.Hα-helixtrans-62.8-40.8177.9-61.9170.5000110.6S238 F242 L243 L244S238-I240 PolarHBondContact O-N 3.21Å; S238-I240 PolarHBondContact OG-N 2.98Å; I240-F242 VanDerWaalsContact C-N 3.35Å; I240-F242 PolarHBondContact O-N 3.33Å; I240-L243 PolarHBondContact O-N 2.85Å; I240-L244 HydrophobicContact CG2-CD1 4.08Å; I240-L244 HydrophobicContact CG2-CG 4.44Å; I240-L244 WeakPolarHBondContact O-CG 2.98Å; I240-L244 PolarHBondContact O-N 3.49Å
241S83.1Confident78.6Confident41 Ų4199.6 Ų99.629%0.28747%0.47SS..Hα-helixtrans-66.1-38.2178.8710000112.3S238 F239 L245S238-S241 PolarHBondContact N-OG 3.13Å; S238-S241 WeakPolarHBondContact O-CB 3.47Å; S238-S241 PolarHBondContact O-N 3Å; S238-S241 PolarHBondContact O-OG 3.24Å; F239-S241 VanDerWaalsContact C-N 3.32Å; F239-S241 PolarHBondContact O-N 3.5Å; S241-L245 WeakPolarHBondContact O-CB 3.27Å; S241-L245 PolarHBondContact O-N 2.68Å
242F84.9Confident80.1Confident89 Ų8999.5 Ų99.539%0.3947%0.472SS..Hα-helixtrans-65.6-43.5174175.6-95.7000111.8W228 T235 S238 F239 I240 L245 S246W228-F242 AromaticContact CH2-CE2 4Å; W228-F242 HydrophobicContact CH2-CE2 4Å; W228-F242 HydrophobicContact CH2-CZ 4.2Å; W228-F242 AromaticContact CZ2-CE2 3.94Å; W228-F242 HydrophobicContact CZ2-CE2 3.94Å; T235-F242 HydrophobicContact CG2-CD2 4.19Å; S238-F242 PolarHBondContact O-N 2.94Å; F239-F242 PolarHBondContact O-N 3.44Å; I240-F242 VanDerWaalsContact C-N 3.35Å; I240-F242 PolarHBondContact O-N 3.33Å; F242-L245 PolarHBondContact O-N 3.19Å; F242-S246 WeakPolarHBondContact O-CB 3.45Å; F242-S246 PolarHBondContact O-N 3.46Å; F242-S246 PolarHBondContact O-OG 3.44Å
243L88.4Confident81.5Confident86 Ų8697.1 Ų97.145%0.4546%0.457SS..Hα-helixtrans-60.6-48.1177.4-177.566000111.4F239 I240 L245 S246 I247F239-L243 PolarHBondContact O-N 2.9Å; I240-L243 PolarHBondContact O-N 2.85Å; L243-L245 VanDerWaalsContact C-N 3.35Å; L243-L245 PolarHBondContact O-N 2.84Å; L243-S246 PolarHBondContact O-N 2.91Å; L243-I247 HydrophobicContact CD1-CD1 4.48Å; L243-I247 HydrophobicContact CG-CD1 4.13Å; L243-I247 WeakPolarHBondContact O-CG1 3.32Å; L243-I247 PolarHBondContact O-N 3.03Å
244L87.6Confident83Confident108 Ų10892.2 Ų92.257%0.56544%0.439SS*.Hα-helixtrans-62.5-40178.2-70.5173.5000112.4I240 I247 K248I240-L244 HydrophobicContact CG2-CD1 4.08Å; I240-L244 HydrophobicContact CG2-CG 4.44Å; I240-L244 WeakPolarHBondContact O-CG 2.98Å; I240-L244 PolarHBondContact O-N 3.49Å; L244-I247 PolarHBondContact O-N 2.91Å; L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 3.47Å
245L86.3Confident84.7Confident21 Ų2193.2 Ų93.211%0.1144%0.444CS..Hα-helixtrans-64.7-42.1175.7-179.263.2000111.8E231 T235 S241 F242 L243 K248 W249E231-L245 HydrophobicContact CB-CD1 3.4Å; E231-L245 HydrophobicContact CB-CD2 3.47Å; E231-L245 VanDerWaalsContact CB-CD2 3.47Å; E231-L245 HydrophobicContact CB-CG 4.07Å; E231-L245 HydrophobicContact CG-CD1 3.73Å; T235-L245 HydrophobicContact CG2-CD2 3.34Å; S241-L245 WeakPolarHBondContact O-CB 3.27Å; S241-L245 PolarHBondContact O-N 2.68Å; F242-L245 PolarHBondContact O-N 3.19Å; L243-L245 VanDerWaalsContact C-N 3.35Å; L243-L245 PolarHBondContact O-N 2.84Å; L245-K248 PolarHBondContact O-N 2.88Å; L245-W249 PolarHBondContact O-N 3.27Å
246S88.1Confident86.4Confident22 Ų2292.4 Ų92.415%0.15444%0.437CS..Hα-helixtrans-61.9-44.1177-59.20000111F242 L243 W249 W250F242-S246 WeakPolarHBondContact O-CB 3.45Å; F242-S246 PolarHBondContact O-N 3.46Å; F242-S246 PolarHBondContact O-OG 3.44Å; L243-S246 PolarHBondContact O-N 2.91Å; S246-W249 PolarHBondContact O-N 3.26Å; S246-W250 VanDerWaalsContact O-CD1 3.25Å; S246-W250 PolarHBondContact O-N 3.48Å
247I91.2Very high88Confident92 Ų9285.4 Ų85.447%0.47241%0.413SS..Hα-helixtrans-59.8-49174.3-68.3166.1000110.3L243 L244 W249 W250 V251L243-I247 HydrophobicContact CD1-CD1 4.48Å; L243-I247 HydrophobicContact CG-CD1 4.13Å; L243-I247 WeakPolarHBondContact O-CG1 3.32Å; L243-I247 PolarHBondContact O-N 3.03Å; L244-I247 PolarHBondContact O-N 2.91Å; I247-W249 VanDerWaalsContact C-N 3.3Å; I247-W249 PolarHBondContact O-N 3.33Å; I247-W250 PolarHBondContact O-N 3.39Å; I247-V251 HydrophobicContact CG2-CG2 4.28Å; I247-V251 WeakPolarHBondContact O-CB 3.38Å; I247-V251 VanDerWaalsContact O-CG2 3.24Å; I247-V251 WeakPolarHBondContact O-CG2 3.19Å; I247-V251 PolarHBondContact O-N 3.49Å
248K89.3Confident89.3Confident121 Ų12180.9 Ų80.953%0.52640%0.397SS..Hα-helixtrans-58.3-41.7178.5-177.2-178.3177-175.60112.1L244 L245 V251 N252L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 3.47Å; L245-K248 PolarHBondContact O-N 2.88Å; K248-V251 PolarHBondContact O-N 3.47Å; K248-N252 PolarHBondContact O-N 2.89Å
249W89.8Confident89.9Confident65 Ų6581 Ų8125%0.24640%0.396CS..Hα-helixtrans-64.3-47.9177.3-178.184000111.5L226 L245 S246 I247 V251 N252 V253L226-W249 PolarHBondContact O-NE1 3.35Å; L245-W249 PolarHBondContact O-N 3.27Å; S246-W249 PolarHBondContact O-N 3.26Å; I247-W249 VanDerWaalsContact C-N 3.3Å; I247-W249 PolarHBondContact O-N 3.33Å; W249-V251 VanDerWaalsContact C-N 3.3Å; W249-V251 PolarHBondContact O-N 3.39Å; W249-N252 WeakPolarHBondContact O-CB 3.43Å; W249-N252 PolarHBondContact O-N 2.97Å; W249-N252 VanDerWaalsContact O-N 3.09Å; W249-V253 HydrophobicContact CD2-CG2 3.92Å; W249-V253 HydrophobicContact CE3-CG2 3.97Å; W249-V253 HydrophobicContact CH2-CG2 3.82Å; W249-V253 HydrophobicContact CZ2-CG2 3.75Å; W249-V253 HydrophobicContact CZ3-CG2 3.92Å; W249-V253 WeakPolarHBondContact O-CG2 3.49Å; W249-V253 PolarHBondContact O-N 3.1Å
250W92.4Very high90.3Very high159 Ų15976.7 Ų76.760%0.60238%0.375SS*.Hα-helixtrans-60.5-38.6175.2-83.3112.2000112.8S246 I247 V253 V254S246-W250 VanDerWaalsContact O-CD1 3.25Å; S246-W250 PolarHBondContact O-N 3.48Å; I247-W250 PolarHBondContact O-N 3.39Å; W250-V253 HydrophobicContact CE3-CB 4.39Å; W250-V253 HydrophobicContact CE3-CG1 4.3Å; W250-V253 HydrophobicContact CZ3-CG1 4.34Å; W250-V253 WeakPolarHBondContact O-CB 3.31Å; W250-V253 PolarHBondContact O-N 2.88Å; W250-V254 VanDerWaalsContact O-CG2 3.32Å; W250-V254 WeakPolarHBondContact O-CG2 3.38Å; W250-V254 PolarHBondContact O-N 3.03Å
251V92Very high90.7Very high63 Ų6376 Ų7638%0.38237%0.372SS..Hα-helixtrans-58.7-48.5172.6168.70000110.3I247 K248 W249 V253 V254 F255I247-V251 HydrophobicContact CG2-CG2 4.28Å; I247-V251 WeakPolarHBondContact O-CB 3.38Å; I247-V251 VanDerWaalsContact O-CG2 3.24Å; I247-V251 WeakPolarHBondContact O-CG2 3.19Å; I247-V251 PolarHBondContact O-N 3.49Å; K248-V251 PolarHBondContact O-N 3.47Å; W249-V251 VanDerWaalsContact C-N 3.3Å; W249-V251 PolarHBondContact O-N 3.39Å; V251-V253 VanDerWaalsContact C-N 3.34Å; V251-V253 PolarHBondContact O-N 2.64Å; V251-V254 PolarHBondContact O-N 3.35Å; V251-F255 HydrophobicContact CG1-CD2 3.51Å; V251-F255 HydrophobicContact CG1-CE2 3.56Å; V251-F255 VanDerWaalsContact O-CD2 3.25Å; V251-F255 WeakPolarHBondContact O-CD2 3.49Å; V251-F255 PolarHBondContact O-N 2.78Å
252N91.1Very high91.4Very high60 Ų6079.1 Ų79.132%0.32138%0.384SS..Hα-helixtrans-60.4-40.7176.1-72.4-13.7000112.7V225 K248 W249 F255 F256V225-N252 HydrophobicContact CG1-CB 4.37Å; K248-N252 PolarHBondContact O-N 2.89Å; W249-N252 WeakPolarHBondContact O-CB 3.43Å; W249-N252 PolarHBondContact O-N 2.97Å; W249-N252 VanDerWaalsContact O-N 3.09Å; N252-F255 PolarHBondContact O-N 3.06Å; N252-F256 VanDerWaalsContact O-CB 3.25Å; N252-F256 WeakPolarHBondContact O-CB 3.46Å; N252-F256 PolarHBondContact O-N 3.44Å
253V92.2Very high92Very high20 Ų2076.4 Ų76.412%0.12137%0.374CS..Hα-helixtrans-59.4-48.3174.9172.20000110.2L226 W249 W250 V251 F256 F257L226-V253 HydrophobicContact CD2-CB 4.5Å; L226-V253 HydrophobicContact CD2-CG2 3.98Å; W249-V253 HydrophobicContact CD2-CG2 3.92Å; W249-V253 HydrophobicContact CE3-CG2 3.97Å; W249-V253 HydrophobicContact CH2-CG2 3.82Å; W249-V253 HydrophobicContact CZ2-CG2 3.75Å; W249-V253 HydrophobicContact CZ3-CG2 3.92Å; W249-V253 WeakPolarHBondContact O-CG2 3.49Å; W249-V253 PolarHBondContact O-N 3.1Å; W250-V253 HydrophobicContact CE3-CB 4.39Å; W250-V253 HydrophobicContact CE3-CG1 4.3Å; W250-V253 HydrophobicContact CZ3-CG1 4.34Å; W250-V253 WeakPolarHBondContact O-CB 3.31Å; W250-V253 PolarHBondContact O-N 2.88Å; V251-V253 VanDerWaalsContact C-N 3.34Å; V251-V253 PolarHBondContact O-N 2.64Å; V253-F256 PolarHBondContact O-N 2.99Å; V253-F257 HydrophobicContact CG1-CD2 3.79Å; V253-F257 HydrophobicContact CG1-CE2 4.05Å; V253-F257 VanDerWaalsContact O-CD2 3.28Å; V253-F257 WeakPolarHBondContact O-CD2 3.36Å; V253-F257 PolarHBondContact O-N 3.43Å
254V93.7Very high92.4Very high69 Ų6974.5 Ų74.542%0.41836%0.364SS..Hα-helixtrans-63.1-47.5178.9172.30000111W250 V251 F256 F257 M258W250-V254 VanDerWaalsContact O-CG2 3.32Å; W250-V254 WeakPolarHBondContact O-CG2 3.38Å; W250-V254 PolarHBondContact O-N 3.03Å; V251-V254 PolarHBondContact O-N 3.35Å; V254-F256 PolarHBondContact O-N 2.88Å; V254-F257 PolarHBondContact O-N 3.16Å; V254-M258 HydrophobicContact CG1-CB 4.45Å; V254-M258 HydrophobicContact CG1-CG 3.59Å; V254-M258 WeakPolarHBondContact O-CB 3.12Å; V254-M258 WeakPolarHBondContact O-CG 3.22Å; V254-M258 PolarHBondContact O-N 2.82Å
255F92.2Very high92.9Very high151 Ų15174.9 Ų74.966%0.66236%0.361SS*.Hα-helixtrans-64.4-27.8177.3-85.4-74.4000113.2V251 N252 P259V251-F255 HydrophobicContact CG1-CD2 3.51Å; V251-F255 HydrophobicContact CG1-CE2 3.56Å; V251-F255 VanDerWaalsContact O-CD2 3.25Å; V251-F255 WeakPolarHBondContact O-CD2 3.49Å; V251-F255 PolarHBondContact O-N 2.78Å; N252-F255 PolarHBondContact O-N 3.06Å; F255-P259 WeakPolarHBondContact O-CD 3.3Å; F255-P259 WeakPolarHBondContact O-CG 3.17Å
256F91.7Very high93.4Very high15 Ų1576 Ų767%0.06637%0.367CS..Hα-helixtrans-73.7-51.6172.9-175.3-90.4000111.3F223 L226 N252 V253 V254 R260F223-F256 HydrophobicContact CD1-CE1 4.32Å; F223-F256 AromaticContact CD1-CZ 3.95Å; F223-F256 HydrophobicContact CD1-CZ 3.95Å; F223-F256 HydrophobicContact CE1-CE1 4.02Å; F223-F256 AromaticContact CE1-CZ 3.89Å; F223-F256 HydrophobicContact CE1-CZ 3.89Å; F223-F256 HydrophobicContact CZ-CZ 4.4Å; L226-F256 HydrophobicContact CD1-CD1 4.1Å; L226-F256 HydrophobicContact CD1-CE1 3.98Å; L226-F256 HydrophobicContact CD1-CZ 4.39Å; L226-F256 HydrophobicContact CD2-CB 4.13Å; L226-F256 HydrophobicContact CD2-CD1 4.25Å; L226-F256 HydrophobicContact CD2-CG 4.12Å; L226-F256 HydrophobicContact CG-CD1 4.48Å; N252-F256 VanDerWaalsContact O-CB 3.25Å; N252-F256 WeakPolarHBondContact O-CB 3.46Å; N252-F256 PolarHBondContact O-N 3.44Å; V253-F256 PolarHBondContact O-N 2.99Å; V254-F256 PolarHBondContact O-N 2.88Å; F256-R260 WeakPolarHBondContact O-CD 3.49Å; F256-R260 PolarHBondContact O-NH1 3.49Å
257F93.4Very high93.9Very high89 Ų8975 Ų7539%0.3936%0.36SS..Hα-helixtrans-82.2-38.7-173.3-73-72.3000114.3L226 V253 V254 R260 L261L226-F257 HydrophobicContact CD1-CE2 4Å; L226-F257 HydrophobicContact CD1-CZ 4.04Å; L226-F257 HydrophobicContact CD2-CE2 4.42Å; V253-F257 HydrophobicContact CG1-CD2 3.79Å; V253-F257 HydrophobicContact CG1-CE2 4.05Å; V253-F257 VanDerWaalsContact O-CD2 3.28Å; V253-F257 WeakPolarHBondContact O-CD2 3.36Å; V253-F257 PolarHBondContact O-N 3.43Å; V254-F257 PolarHBondContact O-N 3.16Å; F257-R260 WeakPolarHBondContact O-CB 3.09Å; F257-R260 PolarHBondContact O-N 3.49Å; F257-L261 HydrophobicContact CB-CD1 4.45Å; F257-L261 WeakPolarHBondContact O-CG 3.33Å; F257-L261 PolarHBondContact O-N 3.02Å
258M94.7Very high94.2Very high99 Ų9971.8 Ų71.849%0.48835%0.345SS..Hα-helixtrans-59.3-49.9-170.9-77.4-65.6173.900114.2V254 R260 L261 I262V254-M258 HydrophobicContact CG1-CB 4.45Å; V254-M258 HydrophobicContact CG1-CG 3.59Å; V254-M258 WeakPolarHBondContact O-CB 3.12Å; V254-M258 WeakPolarHBondContact O-CG 3.22Å; V254-M258 PolarHBondContact O-N 2.82Å; M258-R260 PolarHBondContact O-N 3.34Å; M258-L261 PolarHBondContact O-N 2.9Å; M258-I262 VanDerWaalsContact O-CG1 3.29Å; M258-I262 WeakPolarHBondContact O-CG1 3.37Å; M258-I262 PolarHBondContact O-N 3.44Å
259P93.5Very high94.5Very high61 Ų6168.6 Ų68.640%0.39633%0.334SS..Hα-helixtrans-60-35.6179.4-2435.1000112.6F255 L263F255-P259 WeakPolarHBondContact O-CD 3.3Å; F255-P259 WeakPolarHBondContact O-CG 3.17Å; P259-L263 VanDerWaalsContact O-CG 3.25Å; P259-L263 WeakPolarHBondContact O-CG 3.43Å; P259-L263 PolarHBondContact O-N 3.16Å; P259-L263 VanDerWaalsContact O-N 3.1Å
260R94.3Very high94.9Very high68 Ų6866.7 Ų66.726%0.25733%0.33SS..Hα-helixtrans-67.5-46.8177.4-64.5170.5173.569.9-2110.6M217 S221 F256 F257 M258 I262 L263 L264M217-R260 HydrophobicContact SD-CB 3.9Å; M217-R260 HydrophobicContact SD-CG 3.97Å; S221-R260 PolarHBondContact OG-NE 2.99Å; S221-R260 VanDerWaalsContact OG-NE 3.09Å; S221-R260 PolarHBondContact OG-NH2 2.94Å; F256-R260 WeakPolarHBondContact O-CD 3.49Å; F256-R260 PolarHBondContact O-NH1 3.49Å; F257-R260 WeakPolarHBondContact O-CB 3.09Å; F257-R260 PolarHBondContact O-N 3.49Å; M258-R260 PolarHBondContact O-N 3.34Å; R260-I262 VanDerWaalsContact C-N 3.34Å; R260-I262 PolarHBondContact O-N 2.7Å; R260-L263 PolarHBondContact O-N 3.05Å; R260-L264 WeakPolarHBondContact O-CG 3.42Å; R260-L264 PolarHBondContact O-N 3.33Å
261L95.4Very high95.2Very high97 Ų9760.5 Ų60.551%0.50831%0.307SS..Hα-helixtrans-61.9-40.2176.6-68.2175.4000112.3F257 M258 L263 L264 F265F257-L261 HydrophobicContact CB-CD1 4.45Å; F257-L261 WeakPolarHBondContact O-CG 3.33Å; F257-L261 PolarHBondContact O-N 3.02Å; M258-L261 PolarHBondContact O-N 2.9Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 2.82Å; L261-L264 PolarHBondContact O-N 3.31Å; L261-F265 WeakPolarHBondContact O-CB 3.5Å; L261-F265 PolarHBondContact O-N 3.06Å
262I97Very high95.4Very high106 Ų10660.2 Ų60.254%0.54430%0.304SS..Hα-helixtrans-60.8-43.6175.7-69.7165.6000110.8M258 R260 F265 L266M258-I262 VanDerWaalsContact O-CG1 3.29Å; M258-I262 WeakPolarHBondContact O-CG1 3.37Å; M258-I262 PolarHBondContact O-N 3.44Å; R260-I262 VanDerWaalsContact C-N 3.34Å; R260-I262 PolarHBondContact O-N 2.7Å; I262-F265 PolarHBondContact O-N 2.92Å; I262-L266 VanDerWaalsContact O-CB 3.3Å; I262-L266 WeakPolarHBondContact O-CB 3.35Å; I262-L266 PolarHBondContact O-N 2.89Å
263L97.3Very high95.6Very high32 Ų3262.4 Ų62.417%0.16832%0.315CS..Hα-helixtrans-68-38.5178.8-69.5167.6000112.4I189 L190 M217 P259 R260 L261 L266 C267I189-L263 HydrophobicContact CG2-CD1 3.91Å; L190-L263 HydrophobicContact CD1-CD2 4.02Å; M217-L263 HydrophobicContact CE-CB 3.73Å; M217-L263 HydrophobicContact CE-CD1 3.43Å; M217-L263 VanDerWaalsContact CE-CD1 3.43Å; M217-L263 HydrophobicContact CE-CG 4.24Å; P259-L263 VanDerWaalsContact O-CG 3.25Å; P259-L263 WeakPolarHBondContact O-CG 3.43Å; P259-L263 PolarHBondContact O-N 3.16Å; P259-L263 VanDerWaalsContact O-N 3.1Å; R260-L263 PolarHBondContact O-N 3.05Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 2.82Å; L263-L266 HydrophobicContact CD2-CD2 4.48Å; L263-L266 WeakPolarHBondContact O-CB 3.45Å; L263-L266 PolarHBondContact O-N 3.38Å; L263-C267 PolarHBondContact O-N 3.16Å; L263-C267 PolarHBondContact O-SG 2.87Å
264L97Very high95.8Very high46 Ų4661.9 Ų61.924%0.24131%0.311CS..Hα-helixtrans-66-42.7174-64.3173.7000111.3I210 L213 R260 L261 C267 S268I210-L264 HydrophobicContact CG2-CB 4.37Å; I210-L264 HydrophobicContact CG2-CD2 3.61Å; L213-L264 HydrophobicContact CB-CD2 4.45Å; L213-L264 HydrophobicContact CD2-CD2 4.19Å; L213-L264 HydrophobicContact CG-CD2 4.31Å; R260-L264 WeakPolarHBondContact O-CG 3.42Å; R260-L264 PolarHBondContact O-N 3.33Å; L261-L264 PolarHBondContact O-N 3.31Å; L264-C267 WeakPolarHBondContact O-CB 3.38Å; L264-C267 PolarHBondContact O-N 2.94Å; L264-S268 PolarHBondContact O-N 3.35Å
265F97.5Very high95.8Very high116 Ų11658.8 Ų58.851%0.50929%0.292SS..Hα-helixtrans-62-44.5175.3179-103.7000111.6L261 I262 C267 S268 L269 L272L261-F265 WeakPolarHBondContact O-CB 3.5Å; L261-F265 PolarHBondContact O-N 3.06Å; I262-F265 PolarHBondContact O-N 2.92Å; F265-C267 PolarHBondContact O-N 2.74Å; F265-S268 CarbonylContact O-C 3.22Å; F265-S268 PolarHBondContact O-N 2.98Å; F265-S268 PolarHBondContact O-OG 3.5Å; F265-L269 HydrophobicContact CE1-CD1 4.08Å; F265-L269 HydrophobicContact CZ-CD1 4.11Å; F265-L269 PolarHBondContact O-N 2.96Å; F265-L272 HydrophobicContact CE2-CD1 3.74Å; F265-L272 HydrophobicContact CZ-CD1 4.33Å
266L97.9Very high95.9Very high45 Ų4555.9 Ų55.924%0.23629%0.287CS..Hα-helixtrans-53.6-40175.2176.865.1000111.8L190 L194 I262 L263 L269L190-L266 HydrophobicContact CD1-CD2 4.32Å; L194-L266 HydrophobicContact CD2-CD1 4.41Å; L194-L266 HydrophobicContact CD2-CD2 4.01Å; L194-L266 HydrophobicContact CG-CD2 4.46Å; I262-L266 VanDerWaalsContact O-CB 3.3Å; I262-L266 WeakPolarHBondContact O-CB 3.35Å; I262-L266 PolarHBondContact O-N 2.89Å; L263-L266 HydrophobicContact CD2-CD2 4.48Å; L263-L266 WeakPolarHBondContact O-CB 3.45Å; L263-L266 PolarHBondContact O-N 3.38Å; L266-L269 WeakPolarHBondContact O-CB 3.19Å; L266-L269 PolarHBondContact O-N 2.65Å
267C98.2Very high95.9Very high0 Ų059.4 Ų59.40%030%0.3CS..Hα-helixtrans-66-38.2176.6-62.40000112.6S193 I196 V200 I210 L213 L263 L264 F265 P270S193-C267 PolarHBondContact O-SG 2.73Å; S193-C267 VanDerWaalsContact O-SG 3.41Å; I196-C267 HydrophobicContact CG2-CB 3.9Å; V200-C267 WeakPolarHBondContact CG2-O 3.25Å; I210-C267 HydrophobicContact CD1-CB 3.83Å; I210-C267 HydrophobicContact CG1-CB 3.62Å; L213-C267 VanDerWaalsContact CD2-SG 3.58Å; L263-C267 PolarHBondContact O-N 3.16Å; L263-C267 PolarHBondContact O-SG 2.87Å; L264-C267 WeakPolarHBondContact O-CB 3.38Å; L264-C267 PolarHBondContact O-N 2.94Å; F265-C267 PolarHBondContact O-N 2.74Å; C267-P270 WeakPolarHBondContact O-CD 3.26Å
268S96.8Very high95.9Very high25 Ų2555.2 Ų55.218%0.17528%0.281CS..Hα-helixtrans-78.9-17.617970.30000114.2L264 F265 F271 L272L264-S268 PolarHBondContact O-N 3.35Å; F265-S268 CarbonylContact O-C 3.22Å; F265-S268 PolarHBondContact O-N 2.98Å; F265-S268 PolarHBondContact O-OG 3.5Å; S268-F271 WeakPolarHBondContact O-CB 3.47Å; S268-F271 PolarHBondContact O-N 3.45Å; S268-F271 VanDerWaalsContact O-N 3.12Å; S268-L272 PolarHBondContact O-N 3.31Å
269L97.3Very high95.7Very high54 Ų5454.9 Ų54.928%0.28328%0.276SS..Hα-helixtrans-55.5-43.1-172.1-178.265.7000113.9F265 L266 F271 L272 L273F265-L269 HydrophobicContact CE1-CD1 4.08Å; F265-L269 HydrophobicContact CZ-CD1 4.11Å; F265-L269 PolarHBondContact O-N 2.96Å; L266-L269 WeakPolarHBondContact O-CB 3.19Å; L266-L269 PolarHBondContact O-N 2.65Å; L269-F271 VanDerWaalsContact C-N 3.27Å; L269-F271 PolarHBondContact O-N 3.33Å; L269-L272 PolarHBondContact O-N 3.36Å; L269-L272 VanDerWaalsContact O-N 3.13Å; L269-L273 HydrophobicContact CD1-CD1 4.17Å; L269-L273 HydrophobicContact CD1-CD2 4.3Å; L269-L273 HydrophobicContact CD1-CG 3.91Å; L269-L273 HydrophobicContact CD2-CD1 4.29Å; L269-L273 HydrophobicContact CG-CD1 3.8Å; L269-L273 HydrophobicContact CG-CG 4.02Å; L269-L273 WeakPolarHBondContact O-CB 3.41Å; L269-L273 WeakPolarHBondContact O-CG 3.41Å; L269-L273 PolarHBondContact O-N 3.39Å
270P97.9Very high95.5Very high26 Ų2655.3 Ų55.317%0.16927%0.27CS..Hα-helixtrans-61.2-33.7179.5-27.739.7000113.7A197 V200 M201 C267 F274A197-P270 HydrophobicContact CB-CG 3.92Å; A197-P270 WeakPolarHBondContact O-CG 3.23Å; V200-P270 HydrophobicContact CG1-CB 4.49Å; M201-P270 HydrophobicContact CB-CB 3.91Å; M201-P270 HydrophobicContact CG-CB 4.39Å; C267-P270 WeakPolarHBondContact O-CD 3.26Å; P270-F274 VanDerWaalsContact O-CB 3.25Å; P270-F274 WeakPolarHBondContact O-CB 3.37Å; P270-F274 PolarHBondContact O-N 3.5Å
271F97.3Very high95.2Very high28 Ų2853.2 Ų53.212%0.12326%0.264CS..Hα-helixtrans-64.1-49.8173.6174.8-93.8000110.7F87 V200 L207 S268 L269 L273 F274 Q275 F335F87-F271 AromaticContact CE1-CD2 3.82Å; F87-F271 HydrophobicContact CE1-CD2 3.82Å; F87-F271 AromaticContact CZ-CD2 3.59Å; F87-F271 HydrophobicContact CZ-CD2 3.59Å; F87-F271 AromaticContact CZ-CE2 3.9Å; F87-F271 HydrophobicContact CZ-CE2 3.9Å; V200-F271 HydrophobicContact CG1-CB 3.74Å; L207-F271 HydrophobicContact CD1-CB 4.45Å; L207-F271 HydrophobicContact CD1-CD1 4.38Å; L207-F271 HydrophobicContact CD1-CD2 3.82Å; L207-F271 HydrophobicContact CD1-CE2 4.15Å; L207-F271 HydrophobicContact CD1-CG 3.96Å; L207-F271 HydrophobicContact CD2-CB 4.02Å; L207-F271 HydrophobicContact CD2-CG 4.36Å; S268-F271 WeakPolarHBondContact O-CB 3.47Å; S268-F271 PolarHBondContact O-N 3.45Å; S268-F271 VanDerWaalsContact O-N 3.12Å; L269-F271 VanDerWaalsContact C-N 3.27Å; L269-F271 PolarHBondContact O-N 3.33Å; F271-L273 PolarHBondContact O-N 3.03Å; F271-F274 PolarHBondContact O-N 2.89Å; F271-Q275 HydrophobicContact CD1-CG 4.24Å; F271-Q275 HydrophobicContact CE1-CG 3.82Å; F271-Q275 HydrophobicContact CE2-CG 4.15Å; F271-Q275 HydrophobicContact CZ-CG 3.76Å; F271-Q275 WeakPolarHBondContact O-CG 3.44Å; F271-Q275 PolarHBondContact O-N 3.42Å; F271-F335 HydrophobicContact CE1-CE1 4.45Å; F271-F335 HydrophobicContact CE1-CZ 4.32Å
272L96.3Very high94.9Very high58 Ų5848.9 Ų48.930%0.30424%0.241SC..Hα-helixtrans-63.4-43.2-178.7-63.5175.3000112.1F265 S268 L269 F274 Q275 T276F265-L272 HydrophobicContact CE2-CD1 3.74Å; F265-L272 HydrophobicContact CZ-CD1 4.33Å; S268-L272 PolarHBondContact O-N 3.31Å; L269-L272 PolarHBondContact O-N 3.36Å; L269-L272 VanDerWaalsContact O-N 3.13Å; L272-F274 VanDerWaalsContact C-N 3.34Å; L272-F274 PolarHBondContact O-N 3.31Å; L272-Q275 PolarHBondContact O-N 3.35Å; L272-T276 WeakPolarHBondContact O-CB 3.15Å; L272-T276 PolarHBondContact O-N 3.21Å; L272-T276 PolarHBondContact O-OG1 2.92Å
273L96.1Very high94.5Very high105 Ų10544.6 Ų44.655%0.5522%0.22SC..Hα-helixtrans-62.2-41.8175.5-70.6177.7000111.6L269 F271 T276 Y277L269-L273 HydrophobicContact CD1-CD1 4.17Å; L269-L273 HydrophobicContact CD1-CD2 4.3Å; L269-L273 HydrophobicContact CD1-CG 3.91Å; L269-L273 HydrophobicContact CD2-CD1 4.29Å; L269-L273 HydrophobicContact CG-CD1 3.8Å; L269-L273 HydrophobicContact CG-CG 4.02Å; L269-L273 WeakPolarHBondContact O-CB 3.41Å; L269-L273 WeakPolarHBondContact O-CG 3.41Å; L269-L273 PolarHBondContact O-N 3.39Å; F271-L273 PolarHBondContact O-N 3.03Å; L273-T276 PolarHBondContact O-N 3.26Å; L273-Y277 WeakPolarHBondContact O-CB 3.21Å; L273-Y277 PolarHBondContact O-N 3.25Å
274F95.9Very high93.8Very high9 Ų944.7 Ų44.74%0.03922%0.223CC..Hα-helixtrans-68.3-41.8178.9-178.5-125.4000112.5Y78 L84 F87 P88 P270 F271 L272 T276 Y277 G278Y78-F274 HydrophobicContact CD1-CZ 4.44Å; Y78-F274 HydrophobicContact CD2-CE2 4.4Å; Y78-F274 AromaticContact CE1-CE2 3.91Å; Y78-F274 HydrophobicContact CE1-CE2 3.91Å; Y78-F274 AromaticContact CE1-CZ 3.65Å; Y78-F274 HydrophobicContact CE1-CZ 3.65Å; Y78-F274 AromaticContact CE2-CE2 3.74Å; Y78-F274 HydrophobicContact CE2-CE2 3.74Å; Y78-F274 HydrophobicContact CE2-CZ 4.32Å; Y78-F274 AromaticContact CZ-CE2 3.46Å; Y78-F274 VanDerWaalsContact CZ-CE2 3.46Å; Y78-F274 AromaticContact CZ-CZ 3.58Å; L84-F274 HydrophobicContact CD2-CZ 4.5Å; L84-F274 WeakPolarHBondContact O-CE1 3.23Å; L84-F274 WeakPolarHBondContact O-CZ 3.46Å; F87-F274 HydrophobicContact CD1-CD1 4.34Å; F87-F274 HydrophobicContact CD2-CD1 4.27Å; F87-F274 AromaticContact CD2-CE1 3.97Å; F87-F274 HydrophobicContact CD2-CE1 3.97Å; F87-F274 HydrophobicContact CE1-CD1 4.42Å; F87-F274 HydrophobicContact CE2-CD1 4.32Å; F87-F274 HydrophobicContact CE2-CE1 4.23Å; F87-F274 HydrophobicContact CG-CD1 4.29Å; F87-F274 HydrophobicContact CG-CE1 4.25Å; F87-F274 HydrophobicContact CZ-CD1 4.4Å; P88-F274 HydrophobicContact CB-CD2 4.26Å; P88-F274 HydrophobicContact CB-CE2 4.25Å; P88-F274 HydrophobicContact CG-CB 4.41Å; P88-F274 HydrophobicContact CG-CD2 3.67Å; P88-F274 HydrophobicContact CG-CE2 4.06Å; P88-F274 HydrophobicContact CG-CG 3.99Å; P270-F274 VanDerWaalsContact O-CB 3.25Å; P270-F274 WeakPolarHBondContact O-CB 3.37Å; P270-F274 PolarHBondContact O-N 3.5Å; F271-F274 PolarHBondContact O-N 2.89Å; L272-F274 VanDerWaalsContact C-N 3.34Å; L272-F274 PolarHBondContact O-N 3.31Å; F274-T276 VanDerWaalsContact C-N 3.32Å; F274-T276 PolarHBondContact O-N 3.05Å; F274-Y277 HydrophobicContact CD2-CD1 4.15Å; F274-Y277 HydrophobicContact CE2-CD1 4.22Å; F274-Y277 WeakPolarHBondContact O-CB 3.47Å; F274-Y277 PolarHBondContact O-N 3.4Å; F274-G278 PolarHBondContact O-N 3.28Å
275Q95.2Very high92.8Very high5 Ų549.4 Ų49.42%0.02324%0.243CC..Hα-helixtrans-63-40173.5-66.3-55.1-71.400111.6F271 L272 G278 Y279 F335 S336F271-Q275 HydrophobicContact CD1-CG 4.24Å; F271-Q275 HydrophobicContact CE1-CG 3.82Å; F271-Q275 HydrophobicContact CE2-CG 4.15Å; F271-Q275 HydrophobicContact CZ-CG 3.76Å; F271-Q275 WeakPolarHBondContact O-CG 3.44Å; F271-Q275 PolarHBondContact O-N 3.42Å; L272-Q275 PolarHBondContact O-N 3.35Å; Q275-G278 PolarHBondContact O-N 3.45Å; Q275-Y279 PolarHBondContact O-N 3.39Å; Q275-F335 HydrophobicContact CB-CD1 3.95Å; Q275-F335 HydrophobicContact CB-CE1 4.21Å; Q275-F335 HydrophobicContact CG-CD1 3.9Å; Q275-F335 HydrophobicContact CG-CE1 4.26Å; Q275-S336 PolarHBondContact OE1-OG 3.29Å
276T93.2Very high91.4Very high90 Ų9046.1 Ų46.155%0.55224%0.238SC*.Hα-helixtrans-64.7-40.5175.6-56.50000111.6L272 L273 F274 Y279 Y280L272-T276 WeakPolarHBondContact O-CB 3.15Å; L272-T276 PolarHBondContact O-N 3.21Å; L272-T276 PolarHBondContact O-OG1 2.92Å; L273-T276 PolarHBondContact O-N 3.26Å; F274-T276 VanDerWaalsContact C-N 3.32Å; F274-T276 PolarHBondContact O-N 3.05Å; T276-Y279 PolarHBondContact O-N 2.93Å; T276-Y280 WeakPolarHBondContact O-CB 3.26Å; T276-Y280 PolarHBondContact O-N 3.49Å
277Y92.3Very high89.6Confident89 Ų8955.4 Ų55.435%0.34927%0.269SS..Hα-helixtrans-61.6-46.6174.3167.7-100.5000111.7Y78 L273 F274 Y279 Y280 L281Y78-Y277 AromaticContact CD2-CE1 3.65Å; Y78-Y277 HydrophobicContact CD2-CE1 3.65Å; Y78-Y277 HydrophobicContact CE2-CE1 4.29Å; Y78-Y277 HydrophobicContact CG-CE1 4.25Å; L273-Y277 WeakPolarHBondContact O-CB 3.21Å; L273-Y277 PolarHBondContact O-N 3.25Å; F274-Y277 HydrophobicContact CD2-CD1 4.15Å; F274-Y277 HydrophobicContact CE2-CD1 4.22Å; F274-Y277 WeakPolarHBondContact O-CB 3.47Å; F274-Y277 PolarHBondContact O-N 3.4Å; Y277-Y279 PolarHBondContact O-N 3.21Å; Y277-Y280 PolarHBondContact O-N 3.25Å; Y277-L281 HydrophobicContact CE1-CD2 4.18Å; Y277-L281 WeakPolarHBondContact O-CB 2.93Å; Y277-L281 PolarHBondContact O-N 3.01Å
278G92.1Very high87.6Confident0 Ų058.4 Ų58.40%029%0.29CS..Hα-helixtrans-58.8-46175.100000112.2F274 Q275 Y280 L281 Y282F274-G278 PolarHBondContact O-N 3.28Å; Q275-G278 PolarHBondContact O-N 3.45Å; G278-Y280 PolarHBondContact O-N 2.97Å; G278-L281 PolarHBondContact O-N 3.13Å; G278-Y282 PolarHBondContact O-N 3.38Å
279Y91.8Very high85.6Confident93 Ų9366.1 Ų66.137%0.36532%0.321SS..Hα-helixtrans-59.1-46.3174.3178.5-94.3000112.1Q275 T276 Y277 L281 C283 S284 P334Q275-Y279 PolarHBondContact O-N 3.39Å; T276-Y279 PolarHBondContact O-N 2.93Å; Y277-Y279 PolarHBondContact O-N 3.21Å; Y279-L281 VanDerWaalsContact C-N 3.27Å; Y279-L281 PolarHBondContact O-N 2.67Å; Y279-C283 HydrophobicContact CD1-CB 4.49Å; Y279-C283 HydrophobicContact CD2-CB 3.58Å; Y279-C283 WeakPolarHBondContact CD2-SG 3.37Å; Y279-C283 HydrophobicContact CE1-CB 4.42Å; Y279-C283 HydrophobicContact CE2-CB 3.5Å; Y279-C283 HydrophobicContact CG-CB 4.1Å; Y279-C283 WeakPolarHBondContact O-CA 3.33Å; Y279-C283 WeakPolarHBondContact O-CB 3.23Å; Y279-C283 PolarHBondContact O-N 3.38Å; Y279-S284 PolarHBondContact O-N 2.93Å; Y279-P334 HydrophobicContact CD2-CB 3.65Å; Y279-P334 HydrophobicContact CD2-CG 3.63Å; Y279-P334 HydrophobicContact CE2-CB 3.86Å; Y279-P334 HydrophobicContact CE2-CG 3.85Å; Y279-P334 HydrophobicContact CG-CG 4.34Å
280Y88.8Confident83.5Confident70 Ų7073.2 Ų73.228%0.27535%0.352SS..Hα-helixtrans-64.2-34.3178.4-176.9-100.7000112.3T276 Y277 G278 A286 R287 S288 R315T276-Y280 WeakPolarHBondContact O-CB 3.26Å; T276-Y280 PolarHBondContact O-N 3.49Å; Y277-Y280 PolarHBondContact O-N 3.25Å; G278-Y280 PolarHBondContact O-N 2.97Å; Y280-A286 HydrophobicContact CE2-CB 3.87Å; Y280-A286 PolarHBondContact OH-O 3.35Å; Y280-R287 PolarHBondContact OH-O 2.99Å; Y280-S288 WeakPolarHBondContact OH-CA 3.37Å; Y280-S288 PolarHBondContact OH-N 3.28Å; Y280-R315 VanDerWaalsContact O-CZ 3.29Å; Y280-R315 PolarHBondContact O-NH1 2.97Å; Y280-R315 PolarHBondContact O-NH2 3.33Å
281L87.9Confident81.9Confident24 Ų2475.7 Ų75.713%0.12637%0.368CS..Hα-helixtrans-72-42.3-178.8-177.159.7000112.7Y78 Y277 G278 Y279 P313Y78-L281 WeakPolarHBondContact O-CD2 3.15Å; Y277-L281 HydrophobicContact CE1-CD2 4.18Å; Y277-L281 WeakPolarHBondContact O-CB 2.93Å; Y277-L281 PolarHBondContact O-N 3.01Å; G278-L281 PolarHBondContact O-N 3.13Å; Y279-L281 VanDerWaalsContact C-N 3.27Å; Y279-L281 PolarHBondContact O-N 2.67Å; L281-P313 HydrophobicContact CD1-CB 3.89Å; L281-P313 HydrophobicContact CD1-CG 3.88Å; L281-P313 HydrophobicContact CD2-CG 4.17Å; L281-P313 HydrophobicContact CG-CB 4.1Å; L281-P313 HydrophobicContact CG-CG 3.73Å
282Y88.7Confident80.7Confident6 Ų680.7 Ų80.72%0.02439%0.394CS..Hα-helixtrans-102.4-30.7-173.9-73.8-95.2000114.6Y78 I79 F80 E81 L84 G278 P313 L325 P326 W328Y78-Y282 PolarHBondContact O-OH 3.44Å; I79-Y282 VanDerWaalsContact C-OH 3.31Å; I79-Y282 PolarHBondContact O-OH 3.47Å; F80-Y282 PolarHBondContact N-OH 3.29Å; F80-Y282 PolarHBondContact O-OH 3.03Å; E81-Y282 HydrophobicContact CB-CE1 3.98Å; E81-Y282 PolarHBondContact N-OH 2.97Å; E81-Y282 VanDerWaalsContact N-OH 3.11Å; L84-Y282 HydrophobicContact CD1-CD2 3.83Å; L84-Y282 HydrophobicContact CD1-CE2 3.68Å; L84-Y282 HydrophobicContact CD2-CE2 4.17Å; L84-Y282 HydrophobicContact CG-CE2 4.08Å; G278-Y282 PolarHBondContact O-N 3.38Å; Y282-P313 HydrophobicContact CD1-CG 4.33Å; Y282-P313 HydrophobicContact CD2-CG 4.5Å; Y282-P313 HydrophobicContact CE1-CG 3.83Å; Y282-P313 HydrophobicContact CE2-CG 3.99Å; Y282-L325 WeakPolarHBondContact O-CD2 3.26Å; Y282-P326 HydrophobicContact CD1-CG 4.19Å; Y282-W328 HydrophobicContact CD2-CZ2 4.42Å; Y282-W328 HydrophobicContact CG-CH2 4.38Å; Y282-W328 HydrophobicContact CG-CZ2 4.12Å
283C88.7Confident79.9Confident16 Ų1680.3 Ų80.311%0.10839%0.39CS..THydrogen-bonded Turntrans-106.6-18.6-169.7-47.50000114.3Y279 W328 C329Y279-C283 HydrophobicContact CD1-CB 4.49Å; Y279-C283 HydrophobicContact CD2-CB 3.58Å; Y279-C283 WeakPolarHBondContact CD2-SG 3.37Å; Y279-C283 HydrophobicContact CE1-CB 4.42Å; Y279-C283 HydrophobicContact CE2-CB 3.5Å; Y279-C283 HydrophobicContact CG-CB 4.1Å; Y279-C283 WeakPolarHBondContact O-CA 3.33Å; Y279-C283 WeakPolarHBondContact O-CB 3.23Å; Y279-C283 PolarHBondContact O-N 3.38Å; C283-W328 WeakPolarHBondContact SG-CZ3 3.28Å; C283-C329 HydrophobicContact CB-CB 3.69Å; C283-C329 WeakPolarHBondContact CB-SG 3.45Å; C283-C329 WeakPolarHBondContact SG-CA 3.41Å; C283-C329 WeakPolarHBondContact SG-CB 3.42Å; C283-C329 CovalentContact SG-SG 2.03Å; C283-C329 PolarHBondContact SG-SG 3.11Å
284S83.9Confident78.7Confident33 Ų3378.8 Ų78.823%0.23139%0.387CS..  trans-97.9144.8-177.8-178.70000112.2Y279 A286 R315Y279-S284 PolarHBondContact O-N 2.93Å; S284-A286 PolarHBondContact OG-N 2.92Å; S284-R315 VanDerWaalsContact C-NH2 3.28Å; S284-R315 PolarHBondContact O-NE 3.39Å; S284-R315 PolarHBondContact O-NH2 3.3Å
285H74.4Confident77.5Confident145 Ų14583.1 Ų83.167%0.67142%0.418SS*.  trans-92.2-2.6171.9-64.6-73.2000114.3
286A68Low76.7Confident47 Ų4789.7 Ų89.739%0.38845%0.446SS..SBendtrans-68.1145.9-17600000113Y280 S284 S288 R315Y280-A286 HydrophobicContact CE2-CB 3.87Å; Y280-A286 PolarHBondContact OH-O 3.35Å; S284-A286 PolarHBondContact OG-N 2.92Å; A286-S288 PolarHBondContact O-N 2.95Å; A286-R315 PolarHBondContact O-NE 3.48Å; A286-R315 PolarHBondContact O-NH1 3Å; A286-R315 PolarHBondContact O-NH2 3.5Å
287R60.8Low76.3Confident240 Ų24086.2 Ų86.291%0.90642%0.424SS*.PPolyproline II helixtrans-63.2129.5175.7-75.3-177.4178.1175.9-0.2110.9Y280Y280-R287 PolarHBondContact OH-O 2.99Å
288S56.9Low76Confident63 Ų6384.4 Ų84.444%0.44142%0.423SS..PPolyproline II helixtrans-77.4156.6176.785.20000112.6Y280 A286Y280-S288 WeakPolarHBondContact OH-CA 3.37Å; Y280-S288 PolarHBondContact OH-N 3.28Å; A286-S288 PolarHBondContact O-N 2.95Å
289F54.4Low75.9Confident187 Ų18789 Ų8982%0.8245%0.451SS*.PPolyproline II helixtrans-68.2158.9162.4-67-86.9000110.8T291F289-T291 PolarHBondContact O-N 3.46Å; F289-T291 VanDerWaalsContact O-N 3.11Å
290H52.3Low75.8Confident203 Ų20388.3 Ų88.394%0.9446%0.458SS*.  trans-44.3115.9173.2-86.5-87.3000111.3
291T64.1Low75.9Confident79 Ų7985.2 Ų85.249%0.48545%0.446SS..  trans-92.4149.9174.751.30000110.9F289 F293F289-T291 PolarHBondContact O-N 3.46Å; F289-T291 VanDerWaalsContact O-N 3.11Å; T291-F293 PolarHBondContact O-N 3.5Å; T291-F293 PolarHBondContact OG1-O 2.93Å
292I72.5Confident76Confident132 Ų13285.7 Ų85.768%0.67745%0.449SS*.SBendtrans-66.2-22.3172.8-63.4166.5000111.4
293F80Confident76.1Confident51 Ų5189.2 Ų89.222%0.22447%0.468CS..SBendtrans-86.6158.3-177.8-60.5-68.3000112.7I73 Y76 G77 T291 S295I73-F293 WeakPolarHBondContact O-CE1 3.43Å; Y76-F293 VanDerWaalsContact C-CD1 3.42Å; G77-F293 VanDerWaalsContact N-CD1 3.33Å; G77-F293 VanDerWaalsContact N-CE1 3.28Å; T291-F293 PolarHBondContact O-N 3.5Å; T291-F293 PolarHBondContact OG1-O 2.93Å; F293-S295 PolarHBondContact O-N 3.24Å
294P71.3Confident76.3Confident73 Ų7389.8 Ų89.847%0.47447%0.468SS..  trans-53.2138176.1-23.333.2000111.9K296P294-K296 VanDerWaalsContact C-N 3.25Å; P294-K296 PolarHBondContact O-N 3.48Å
295S71.1Confident76.6Confident100 Ų10088.2 Ų88.270%0.69946%0.457SS*.SBendtrans-73.3-16.7178.654.90000113.7F293F293-S295 PolarHBondContact O-N 3.24Å
296K77.8Confident77.3Confident143 Ų14386.2 Ų86.262%0.62245%0.451SS*.SBendtrans-126.6138.8177.6-66.6-172.8178.1-174.80110.1P294P294-K296 VanDerWaalsContact C-N 3.25Å; P294-K296 PolarHBondContact O-N 3.48Å
297I83.6Confident78.3Confident17 Ų1790.4 Ų90.49%0.08747%0.467CS..  trans-74.2130.7174.2-58.4166.9000108.5I79 V299 L301 L302 I312 L316I79-I297 HydrophobicContact CD1-CG1 4.11Å; I79-I297 HydrophobicContact CD1-CG2 4.39Å; I79-I297 HydrophobicContact CG1-CG1 4.48Å; I79-I297 HydrophobicContact CG2-CD1 3.52Å; I79-I297 HydrophobicContact CG2-CG1 3.96Å; I79-I297 HydrophobicContact CG2-CG2 4.34Å; I297-V299 PolarHBondContact O-N 2.88Å; I297-L301 HydrophobicContact CG2-CB 3.9Å; I297-L302 HydrophobicContact CG2-CB 4.06Å; I297-I312 HydrophobicContact CD1-CG2 3.47Å; I297-I312 VanDerWaalsContact CD1-CG2 3.47Å; I297-L316 HydrophobicContact CD1-CB 3.48Å; I297-L316 VanDerWaalsContact CD1-CB 3.48Å; I297-L316 HydrophobicContact CD1-CD1 4.15Å; I297-L316 HydrophobicContact CD1-CG 4.42Å; I297-L316 HydrophobicContact CG1-CB 3.84Å; I297-L316 HydrophobicContact CG1-CD1 4.24Å; I297-L316 HydrophobicContact CG1-CG 4.5Å
298P87.6Confident79.7Confident50 Ų5083.9 Ų83.933%0.32545%0.446SS..  trans-54.4132.8169-25.634.2000111.7Y76 P300 L301 L302Y76-P298 HydrophobicContact CE1-CG 4.39Å; P298-P300 VanDerWaalsContact C-CD 3.42Å; P298-P300 VanDerWaalsContact C-N 3.33Å; P298-L301 HydrophobicContact CB-CD1 4.33Å; P298-L301 HydrophobicContact CB-CG 4.37Å; P298-L301 HydrophobicContact CG-CD1 4.06Å; P298-L301 WeakPolarHBondContact O-CB 3.41Å; P298-L301 PolarHBondContact O-N 3.13Å; P298-L302 PolarHBondContact O-N 3.46Å
299V88.4Confident81.1Confident97 Ų9784 Ų8459%0.58846%0.457SS*.Hα-helixtrans-50.9-42.6-176.2-179.60000113.7I297 L301 L302 N303I297-V299 PolarHBondContact O-N 2.88Å; V299-L301 VanDerWaalsContact C-N 3.28Å; V299-L301 PolarHBondContact O-N 3.48Å; V299-L302 PolarHBondContact O-N 2.03Å; V299-N303 PolarHBondContact O-N 2.98Å
300P91Very high82.7Confident78 Ų7877 Ų7751%0.50643%0.427SS..Hα-helixtrans-60.4-35.9177.1-24.535.4000113.6P43 P298 Y304P43-P300 HydrophobicContact CB-CB 4.22Å; P43-P300 HydrophobicContact CG-CB 4.3Å; P298-P300 VanDerWaalsContact C-CD 3.42Å; P298-P300 VanDerWaalsContact C-N 3.33Å; P300-Y304 WeakPolarHBondContact O-CB 3.27Å; P300-Y304 PolarHBondContact O-N 2.73Å
301L91.3Very high84.4Confident5 Ų569.1 Ų69.13%0.02639%0.394CS..Hα-helixtrans-75.3-35.2177.9-65.3-178.4000111.9P42 P43 F72 Y76 I297 P298 V299 G305P42-L301 HydrophobicContact CB-CD2 4.02Å; P43-L301 HydrophobicContact CG-CD2 4.41Å; F72-L301 HydrophobicContact CE2-CD1 4.06Å; F72-L301 HydrophobicContact CE2-CD2 4.08Å; Y76-L301 HydrophobicContact CD1-CD1 4.1Å; Y76-L301 HydrophobicContact CD2-CD1 3.95Å; Y76-L301 HydrophobicContact CE1-CD1 3.97Å; Y76-L301 HydrophobicContact CE2-CD1 3.8Å; Y76-L301 HydrophobicContact CG-CD1 4.09Å; I297-L301 HydrophobicContact CG2-CB 3.9Å; P298-L301 HydrophobicContact CB-CD1 4.33Å; P298-L301 HydrophobicContact CB-CG 4.37Å; P298-L301 HydrophobicContact CG-CD1 4.06Å; P298-L301 WeakPolarHBondContact O-CB 3.41Å; P298-L301 PolarHBondContact O-N 3.13Å; V299-L301 VanDerWaalsContact C-N 3.28Å; V299-L301 PolarHBondContact O-N 3.48Å; L301-G305 PolarHBondContact O-N 2.92Å
302L89.2Confident85.5Confident35 Ų3566.4 Ų66.418%0.18338%0.377CS..Hα-helixtrans-61.8-51174.117960000110.4I297 P298 V299 Y304 G305 L306 I312 T317I297-L302 HydrophobicContact CG2-CB 4.06Å; P298-L302 PolarHBondContact O-N 3.46Å; V299-L302 PolarHBondContact O-N 2.03Å; L302-Y304 PolarHBondContact O-N 3.23Å; L302-G305 PolarHBondContact O-N 3.39Å; L302-L306 HydrophobicContact CD1-CD1 4.34Å; L302-L306 HydrophobicContact CD1-CG 4.46Å; L302-L306 HydrophobicContact CG-CD1 4.26Å; L302-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 3.07Å; L302-I312 HydrophobicContact CD1-CD1 3.56Å; L302-T317 HydrophobicContact CD1-CG2 4.35Å
303N91.4Very high86.1Confident79 Ų7960.1 Ų60.142%0.42235%0.345SS..Hα-helixtrans-59.6-46.6177.7-68.3-4.6000111.2V299 G305 L306 D307V299-N303 PolarHBondContact O-N 2.98Å; N303-G305 VanDerWaalsContact C-N 3.29Å; N303-G305 PolarHBondContact O-N 2.89Å; N303-L306 PolarHBondContact O-N 2.88Å; N303-L306 VanDerWaalsContact O-N 3.13Å; N303-D307 WeakPolarHBondContact O-CB 3.39Å; N303-D307 PolarHBondContact O-N 3.31Å
304Y92.3Very high85.8Confident29 Ų2959.9 Ų59.911%0.11435%0.347CS..Hα-helixtrans-55.7-43.8176.2179.3-88.2000112.4F40 K41 P43 F80 P300 L302 H308 F310F40-Y304 HydrophobicContact CD2-CE1 4.12Å; F40-Y304 AromaticContact CE2-CE1 3.77Å; F40-Y304 HydrophobicContact CE2-CE1 3.77Å; K41-Y304 PolarHBondContact N-OH 3.2Å; K41-Y304 WeakPolarHBondContact O-CE2 3.35Å; P43-Y304 HydrophobicContact CG-CD2 4.32Å; P43-Y304 HydrophobicContact CG-CG 4.47Å; F80-Y304 HydrophobicContact CE2-CD1 4.17Å; F80-Y304 HydrophobicContact CE2-CE1 4.43Å; F80-Y304 HydrophobicContact CZ-CD1 4.04Å; P300-Y304 WeakPolarHBondContact O-CB 3.27Å; P300-Y304 PolarHBondContact O-N 2.73Å; L302-Y304 PolarHBondContact O-N 3.23Å; Y304-H308 AromaticContact CD2-CE1 3.53Å; Y304-H308 AromaticContact CD2-ND1 3.82Å; Y304-H308 AromaticContact CE1-ND1 3.94Å; Y304-H308 AromaticContact CE2-CE1 3.19Å; Y304-H308 WeakPolarHBondContact CE2-CE1 3.49Å; Y304-H308 AromaticContact CE2-ND1 3.75Å; Y304-H308 AromaticContact CE2-NE2 3.84Å; Y304-H308 AromaticContact CG-ND1 3.98Å; Y304-H308 AromaticContact CZ-CE1 3.51Å; Y304-H308 AromaticContact CZ-ND1 3.79Å; Y304-H308 AromaticContact CZ-NE2 3.88Å; Y304-H308 PolarHBondContact O-N 3Å; Y304-H308 PolarHBondContact O-ND1 3.42Å; Y304-F310 AromaticContact CE1-CE2 3.95Å; Y304-F310 HydrophobicContact CE1-CE2 3.95Å
305G89.7Confident85.8Confident0 Ų060 Ų600%034%0.338CS..Hα-helixtrans-62.9-43.1177.100000113L301 L302 N303 H308 G309 F310L301-G305 PolarHBondContact O-N 2.92Å; L302-G305 PolarHBondContact O-N 3.39Å; N303-G305 VanDerWaalsContact C-N 3.29Å; N303-G305 PolarHBondContact O-N 2.89Å; G305-H308 PolarHBondContact O-N 3.06Å; G305-G309 PolarHBondContact O-N 3.43Å; G305-F310 PolarHBondContact O-N 2.91Å
306L88.9Confident86Confident102 Ų10257.2 Ų57.253%0.53432%0.315SS..Hα-helixtrans-66.7-43.5178.2-65.7173.9000112L302 N303 H308 G309 I312L302-L306 HydrophobicContact CD1-CD1 4.34Å; L302-L306 HydrophobicContact CD1-CG 4.46Å; L302-L306 HydrophobicContact CG-CD1 4.26Å; L302-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 3.07Å; N303-L306 PolarHBondContact O-N 2.88Å; N303-L306 VanDerWaalsContact O-N 3.13Å; L306-H308 PolarHBondContact O-N 3.17Å; L306-G309 PolarHBondContact O-N 2.93Å; L306-I312 HydrophobicContact CD2-CD1 4.35Å; L306-I312 HydrophobicContact CG-CD1 4.48Å
307D90.4Very high85.6Confident136 Ų13652.2 Ų52.273%0.72730%0.297SS*.Hα-helixtrans-62.2-31.7179.6-67-22.2000112.3N303N303-D307 WeakPolarHBondContact O-CB 3.39Å; N303-D307 PolarHBondContact O-N 3.31Å
308H89.4Confident84.6Confident102 Ų10258 Ų5847%0.47233%0.328SS..THydrogen-bonded Turntrans-92.82.5177.1-66.578.8000113.5Y304 G305 L306 F310Y304-H308 AromaticContact CD2-CE1 3.53Å; Y304-H308 AromaticContact CD2-ND1 3.82Å; Y304-H308 AromaticContact CE1-ND1 3.94Å; Y304-H308 AromaticContact CE2-CE1 3.19Å; Y304-H308 WeakPolarHBondContact CE2-CE1 3.49Å; Y304-H308 AromaticContact CE2-ND1 3.75Å; Y304-H308 AromaticContact CE2-NE2 3.84Å; Y304-H308 AromaticContact CG-ND1 3.98Å; Y304-H308 AromaticContact CZ-CE1 3.51Å; Y304-H308 AromaticContact CZ-ND1 3.79Å; Y304-H308 AromaticContact CZ-NE2 3.88Å; Y304-H308 PolarHBondContact O-N 3Å; Y304-H308 PolarHBondContact O-ND1 3.42Å; G305-H308 PolarHBondContact O-N 3.06Å; L306-H308 PolarHBondContact O-N 3.17Å; H308-F310 VanDerWaalsContact C-N 3.29Å; H308-F310 HydrophobicContact CB-CD1 4.24Å; H308-F310 HydrophobicContact CB-CD2 4.08Å; H308-F310 HydrophobicContact CB-CE1 3.99Å; H308-F310 HydrophobicContact CB-CE2 3.82Å; H308-F310 HydrophobicContact CB-CG 4.27Å; H308-F310 HydrophobicContact CB-CZ 3.76Å; H308-F310 PolarHBondContact O-N 3.27Å
309G86.7Confident83.1Confident66 Ų6662.1 Ų62.168%0.6834%0.343SS*.THydrogen-bonded Turntrans65.627.6-179.200000114.1G305 L306G305-G309 PolarHBondContact O-N 3.43Å; L306-G309 PolarHBondContact O-N 2.93Å
310F88.3Confident81.4Confident39 Ų3963.6 Ų63.617%0.17136%0.357CS..  trans-76133.4176.3-63.8-25.9000111.2F40 F80 N82 Y304 G305 H308 I312F40-F310 HydrophobicContact CD2-CE2 4.39Å; F40-F310 HydrophobicContact CE2-CE2 4.27Å; F80-F310 HydrophobicContact CB-CB 4.43Å; F80-F310 HydrophobicContact CB-CD2 4.18Å; F80-F310 HydrophobicContact CB-CG 4.48Å; F80-F310 HydrophobicContact CD1-CB 4.11Å; F80-F310 AromaticContact CD1-CD2 3.96Å; F80-F310 HydrophobicContact CD1-CD2 3.96Å; F80-F310 HydrophobicContact CD2-CD2 4.12Å; F80-F310 HydrophobicContact CD2-CE2 4.47Å; F80-F310 HydrophobicContact CE1-CD2 4.37Å; F80-F310 HydrophobicContact CE2-CD2 4.5Å; F80-F310 HydrophobicContact CG-CB 4.47Å; F80-F310 AromaticContact CG-CD2 3.84Å; F80-F310 HydrophobicContact CG-CD2 3.84Å; F80-F310 HydrophobicContact CG-CG 4.5Å; N82-F310 WeakPolarHBondContact ND2-CE1 3.5Å; N82-F310 VanDerWaalsContact ND2-CZ 3.27Å; N82-F310 WeakPolarHBondContact ND2-CZ 3.35Å; Y304-F310 AromaticContact CE1-CE2 3.95Å; Y304-F310 HydrophobicContact CE1-CE2 3.95Å; G305-F310 PolarHBondContact O-N 2.91Å; H308-F310 VanDerWaalsContact C-N 3.29Å; H308-F310 HydrophobicContact CB-CD1 4.24Å; H308-F310 HydrophobicContact CB-CD2 4.08Å; H308-F310 HydrophobicContact CB-CE1 3.99Å; H308-F310 HydrophobicContact CB-CE2 3.82Å; H308-F310 HydrophobicContact CB-CG 4.27Å; H308-F310 HydrophobicContact CB-CZ 3.76Å; H308-F310 PolarHBondContact O-N 3.27Å; F310-I312 PolarHBondContact O-N 3.24Å
311S87.8Confident79.5Confident38 Ų3863.5 Ų63.527%0.26636%0.358SS..  trans-66.7132.6169-45.60000109.8E81E81-S311 PolarHBondContact N-O 3.39Å; E81-S311 WeakPolarHBondContact OE2-CB 3.49Å; E81-S311 PolarHBondContact OE2-OG 3.27Å
312I87.4Confident77.7Confident22 Ų2268.4 Ų68.411%0.11339%0.393CS..  trans-116142-179.9-58.5176.1000108.3I79 I297 L302 L306 F310 V314 T317I79-I312 HydrophobicContact CG2-CG2 4.41Å; I297-I312 HydrophobicContact CD1-CG2 3.47Å; I297-I312 VanDerWaalsContact CD1-CG2 3.47Å; L302-I312 HydrophobicContact CD1-CD1 3.56Å; L306-I312 HydrophobicContact CD2-CD1 4.35Å; L306-I312 HydrophobicContact CG-CD1 4.48Å; F310-I312 PolarHBondContact O-N 3.24Å; I312-V314 PolarHBondContact O-N 3.1Å; I312-V314 VanDerWaalsContact O-N 3.16Å; I312-T317 HydrophobicContact CB-CG2 4.13Å; I312-T317 HydrophobicContact CG2-CG2 3.75Å
313P84.5Confident76.2Confident1 Ų169.3 Ų69.31%0.00640%0.401CS..  trans-55.8122.1173.6-26.234.9000111.1I79 L281 Y282 R315 L316I79-P313 WeakPolarHBondContact O-CD 3.27Å; L281-P313 HydrophobicContact CD1-CB 3.89Å; L281-P313 HydrophobicContact CD1-CG 3.88Å; L281-P313 HydrophobicContact CD2-CG 4.17Å; L281-P313 HydrophobicContact CG-CB 4.1Å; L281-P313 HydrophobicContact CG-CG 3.73Å; Y282-P313 HydrophobicContact CD1-CG 4.33Å; Y282-P313 HydrophobicContact CD2-CG 4.5Å; Y282-P313 HydrophobicContact CE1-CG 3.83Å; Y282-P313 HydrophobicContact CE2-CG 3.99Å; P313-R315 PolarHBondContact O-N 2.88Å; P313-L316 HydrophobicContact CB-CD1 4.07Å; P313-L316 HydrophobicContact CB-CG 4.29Å; P313-L316 HydrophobicContact CG-CD1 4.02Å; P313-L316 PolarHBondContact O-N 2.86Å
314V73.4Confident75.4Confident45 Ų4574.3 Ų74.327%0.27342%0.422SS..THydrogen-bonded Turntrans-49.2-30-178.4-172.30000113.2I312 L316 T317 P323I312-V314 PolarHBondContact O-N 3.1Å; I312-V314 VanDerWaalsContact O-N 3.16Å; V314-L316 VanDerWaalsContact C-N 3.31Å; V314-L316 PolarHBondContact O-N 3.47Å; V314-T317 PolarHBondContact O-OG1 3.26Å; V314-P323 HydrophobicContact CB-CB 4.23Å; V314-P323 HydrophobicContact CB-CG 4.44Å; V314-P323 HydrophobicContact CG1-CB 3.92Å; V314-P323 HydrophobicContact CG1-CG 3.81Å; V314-P323 HydrophobicContact CG2-CB 3.28Å; V314-P323 HydrophobicContact CG2-CG 3.72Å
315R72.3Confident75Confident77 Ų7776.9 Ų76.929%0.29144%0.437SS..THydrogen-bonded Turntrans-75.3-19.8-177.2-54.9177.8-168.1166.41.2113.7Y280 S284 A286 P313Y280-R315 VanDerWaalsContact O-CZ 3.29Å; Y280-R315 PolarHBondContact O-NH1 2.97Å; Y280-R315 PolarHBondContact O-NH2 3.33Å; S284-R315 VanDerWaalsContact C-NH2 3.28Å; S284-R315 PolarHBondContact O-NE 3.39Å; S284-R315 PolarHBondContact O-NH2 3.3Å; A286-R315 PolarHBondContact O-NE 3.48Å; A286-R315 PolarHBondContact O-NH1 3Å; A286-R315 PolarHBondContact O-NH2 3.5Å; P313-R315 PolarHBondContact O-N 2.88Å
316L74.4Confident75Confident40 Ų4077.6 Ų77.621%0.20944%0.441CS..THydrogen-bonded Turntrans-98.4-13.3-177.8-66.8175.3000112.5I79 I297 P313 V314I79-L316 HydrophobicContact CG1-CD1 4.32Å; I297-L316 HydrophobicContact CD1-CB 3.48Å; I297-L316 VanDerWaalsContact CD1-CB 3.48Å; I297-L316 HydrophobicContact CD1-CD1 4.15Å; I297-L316 HydrophobicContact CD1-CG 4.42Å; I297-L316 HydrophobicContact CG1-CB 3.84Å; I297-L316 HydrophobicContact CG1-CD1 4.24Å; I297-L316 HydrophobicContact CG1-CG 4.5Å; P313-L316 HydrophobicContact CB-CD1 4.07Å; P313-L316 HydrophobicContact CB-CG 4.29Å; P313-L316 HydrophobicContact CG-CD1 4.02Å; P313-L316 PolarHBondContact O-N 2.86Å; V314-L316 VanDerWaalsContact C-N 3.31Å; V314-L316 PolarHBondContact O-N 3.47Å
317T69Low75.1Confident38 Ų3877.1 Ų77.123%0.23344%0.443CS..SBendtrans-84.9138.9172.751.10000110.1L302 I312 V314 E319L302-T317 HydrophobicContact CD1-CG2 4.35Å; I312-T317 HydrophobicContact CB-CG2 4.13Å; I312-T317 HydrophobicContact CG2-CG2 3.75Å; V314-T317 PolarHBondContact O-OG1 3.26Å; T317-E319 PolarHBondContact O-N 2.91Å
318N62.8Low75.2Confident138 Ų13870.7 Ų70.774%0.73841%0.408SS*.SBendtrans-74.5-1.3175.6-71.5-26000113.1
319E57.2Low75.3Confident138 Ų13866.9 Ų66.965%0.64539%0.393SS*.  trans-106.2142.9-165.2-64.4-171.217100113.8T317 S321T317-E319 PolarHBondContact O-N 2.91Å; E319-S321 VanDerWaalsContact C-N 3.35Å
320S51.4Low75.5Confident128 Ų12868.4 Ų68.490%0.89539%0.393SS*.  trans-9113.9176.549.20000113.6S322S320-S322 PolarHBondContact O-N 3.45Å
321S52.3Low75.7Confident75 Ų7570.3 Ų70.352%0.52440%0.402SS..SBendtrans-62.6129.8171.849.70000109.6E319 P323E319-S321 VanDerWaalsContact C-N 3.35Å; S321-P323 VanDerWaalsContact O-CD 3.28Å; S321-P323 WeakPolarHBondContact O-CD 3.15Å
322S52.2Low75.9Confident109 Ų10973.5 Ų73.576%0.76243%0.43SS*.  trans-47.9110.9178.4-65.40000110.1S320 H324S320-S322 PolarHBondContact O-N 3.45Å; S322-H324 PolarHBondContact O-N 3.37Å
323P59.5Low76Confident54 Ų5476.1 Ų76.135%0.35145%0.448SS..  trans-70.3122.4-172.227-33.8000109V314 S321 L325V314-P323 HydrophobicContact CB-CB 4.23Å; V314-P323 HydrophobicContact CB-CG 4.44Å; V314-P323 HydrophobicContact CG1-CB 3.92Å; V314-P323 HydrophobicContact CG1-CG 3.81Å; V314-P323 HydrophobicContact CG2-CB 3.28Å; V314-P323 HydrophobicContact CG2-CG 3.72Å; S321-P323 VanDerWaalsContact O-CD 3.28Å; S321-P323 WeakPolarHBondContact O-CD 3.15Å; P323-L325 VanDerWaalsContact C-N 3.29Å; P323-L325 PolarHBondContact O-N 3.39Å
324H74.1Confident76.3Confident184 Ų18478 Ų7885%0.85246%0.461SS*.  trans-65.797.1163.8-74.1-73.6000107.6S322S322-H324 PolarHBondContact O-N 3.37Å
325L84.4Confident77.2Confident83 Ų8379 Ų7944%0.43546%0.462SS..  trans-57.7138173.1-76.7157.2000109.1Y282 P323 V327Y282-L325 WeakPolarHBondContact O-CD2 3.26Å; P323-L325 VanDerWaalsContact C-N 3.29Å; P323-L325 PolarHBondContact O-N 3.39Å; L325-V327 PolarHBondContact O-N 2.87Å
326P89.1Confident78.1Confident14 Ų1475.4 Ų75.49%0.09145%0.448CS..  trans-56.1141.3172.9-25.933.9000111.7Y282 W328 C329Y282-P326 HydrophobicContact CD1-CG 4.19Å; P326-W328 HydrophobicContact CB-CD2 4.24Å; P326-W328 HydrophobicContact CB-CG 4.24Å; P326-W328 HydrophobicContact CB-CZ2 4.08Å; P326-W328 HydrophobicContact CG-CZ2 4.16Å; P326-W328 PolarHBondContact O-N 3.39Å; P326-W328 VanDerWaalsContact O-N 3.13Å; P326-C329 VanDerWaalsContact O-CB 3.23Å; P326-C329 WeakPolarHBondContact O-CB 3.1Å; P326-C329 PolarHBondContact O-N 3.36Å; P326-C329 PolarHBondContact O-SG 3.04Å
327V90.9Very high79Confident93 Ų9375.9 Ų75.956%0.56445%0.448SS*.G310 helixtrans-57.4-35.6-174.8-178.20000111.7L325 C329 S330 F331L325-V327 PolarHBondContact O-N 2.87Å; V327-C329 PolarHBondContact O-N 2.93Å; V327-S330 PolarHBondContact O-N 3.49Å; V327-S330 VanDerWaalsContact O-N 3.09Å; V327-S330 PolarHBondContact O-OG 3.03Å; V327-F331 HydrophobicContact CG1-CE1 3.84Å; V327-F331 HydrophobicContact CG1-CZ 4Å
328W92.5Very high80Confident0 Ų077.4 Ų77.40%046%0.46CS..G310 helixtrans-67.7-14.4-179.859.6-94.9000114.6E81 L84 Y282 C283 P326 S330 F331 P334 H339E81-W328 VanDerWaalsContact OE1-CD1 3.29Å; E81-W328 PolarHBondContact OE1-NE1 3.16Å; L84-W328 HydrophobicContact CD1-CH2 4.38Å; L84-W328 HydrophobicContact CD1-CZ2 3.99Å; Y282-W328 HydrophobicContact CD2-CZ2 4.42Å; Y282-W328 HydrophobicContact CG-CH2 4.38Å; Y282-W328 HydrophobicContact CG-CZ2 4.12Å; C283-W328 WeakPolarHBondContact SG-CZ3 3.28Å; P326-W328 HydrophobicContact CB-CD2 4.24Å; P326-W328 HydrophobicContact CB-CG 4.24Å; P326-W328 HydrophobicContact CB-CZ2 4.08Å; P326-W328 HydrophobicContact CG-CZ2 4.16Å; P326-W328 PolarHBondContact O-N 3.39Å; P326-W328 VanDerWaalsContact O-N 3.13Å; W328-S330 PolarHBondContact O-N 2.94Å; W328-F331 HydrophobicContact CB-CD2 3.69Å; W328-F331 HydrophobicContact CB-CE2 3.73Å; W328-F331 HydrophobicContact CB-CG 4.38Å; W328-F331 HydrophobicContact CB-CZ 4.45Å; W328-F331 PolarHBondContact O-N 3.23Å; W328-P334 WeakPolarHBondContact O-CA 3.5Å; W328-H339 HydrophobicContact CB-CB 3.74Å; W328-H339 AromaticContact CD1-CD2 3.41Å; W328-H339 VanDerWaalsContact CD1-CD2 3.41Å; W328-H339 AromaticContact CD1-CG 3.9Å; W328-H339 HydrophobicContact CG-CB 4.21Å
329C91.3Very high81.4Confident23 Ų2373.1 Ų73.116%0.15544%0.435CS..G310 helixtrans-61.5-26170.4-66.80000112.3C283 P326 V327C283-C329 HydrophobicContact CB-CB 3.69Å; C283-C329 WeakPolarHBondContact CB-SG 3.45Å; C283-C329 WeakPolarHBondContact SG-CA 3.41Å; C283-C329 WeakPolarHBondContact SG-CB 3.42Å; C283-C329 CovalentContact SG-SG 2.03Å; C283-C329 PolarHBondContact SG-SG 3.11Å; P326-C329 VanDerWaalsContact O-CB 3.23Å; P326-C329 WeakPolarHBondContact O-CB 3.1Å; P326-C329 PolarHBondContact O-N 3.36Å; P326-C329 PolarHBondContact O-SG 3.04Å; V327-C329 PolarHBondContact O-N 2.93Å
330S91.5Very high83Confident97 Ų9766.6 Ų66.668%0.67841%0.405SS*.G310 helixtrans-87.9-5.9178.869.60000114.2V327 W328V327-S330 PolarHBondContact O-N 3.49Å; V327-S330 VanDerWaalsContact O-N 3.09Å; V327-S330 PolarHBondContact O-OG 3.03Å; W328-S330 PolarHBondContact O-N 2.94Å
331F92.5Very high84.8Confident80 Ų8061.9 Ų61.935%0.35137%0.369SS..SBendtrans-76154.3-177.1-62.4-11.6000112V327 W328 P333 P334 H339V327-F331 HydrophobicContact CG1-CE1 3.84Å; V327-F331 HydrophobicContact CG1-CZ 4Å; W328-F331 HydrophobicContact CB-CD2 3.69Å; W328-F331 HydrophobicContact CB-CE2 3.73Å; W328-F331 HydrophobicContact CB-CG 4.38Å; W328-F331 HydrophobicContact CB-CZ 4.45Å; W328-F331 PolarHBondContact O-N 3.23Å; F331-P333 VanDerWaalsContact C-C 3.49Å; F331-P333 CarbonylContact C-O 3.55Å; F331-P333 WeakPolarHBondContact CB-O 3.41Å; F331-P333 CarbonylContact O-C 3.3Å; F331-P334 VanDerWaalsContact O-CA 3.32Å; F331-P334 WeakPolarHBondContact O-CA 3.44Å; F331-P334 WeakPolarHBondContact O-CB 3.12Å; F331-P334 WeakPolarHBondContact O-CD 3.46Å; F331-P334 VanDerWaalsContact O-N 3.07Å; F331-H339 HydrophobicContact CE2-CB 4.01Å; F331-H339 AromaticContact CE2-ND1 3.78Å; F331-H339 AromaticContact CZ-ND1 3.9Å
332A90.9Very high86.5Confident105 Ų10565.3 Ų65.387%0.86837%0.374SS*.SBendtrans-123.1101174.700000110.1
333P89.9Confident88.1Confident76 Ų7663.2 Ų63.249%0.49436%0.359SS..SBendcis-75.6156.7-1.831.9-35.8000113.6F331 F335F331-P333 VanDerWaalsContact C-C 3.49Å; F331-P333 CarbonylContact C-O 3.55Å; F331-P333 WeakPolarHBondContact CB-O 3.41Å; F331-P333 CarbonylContact O-C 3.3Å; P333-F335 HydrophobicContact CB-CD1 4.29Å; P333-F335 HydrophobicContact CB-CD2 4.32Å; P333-F335 HydrophobicContact CB-CE1 4.02Å; P333-F335 HydrophobicContact CB-CE2 4.06Å; P333-F335 HydrophobicContact CB-CG 4.43Å; P333-F335 HydrophobicContact CB-CZ 3.9Å; P333-F335 HydrophobicContact CG-CD1 4.4Å; P333-F335 HydrophobicContact CG-CD2 3.58Å; P333-F335 HydrophobicContact CG-CE1 4.19Å; P333-F335 HydrophobicContact CG-CE2 3.31Å; P333-F335 HydrophobicContact CG-CG 4.13Å; P333-F335 HydrophobicContact CG-CZ 3.65Å; P333-F335 PolarHBondContact O-N 3.21Å
334P90.2Very high89.2Confident41 Ų4165.3 Ų65.327%0.26637%0.365SS..  trans-81.261.5-175.334.5-37.4000112.2Y279 W328 F331 S336Y279-P334 HydrophobicContact CD2-CB 3.65Å; Y279-P334 HydrophobicContact CD2-CG 3.63Å; Y279-P334 HydrophobicContact CE2-CB 3.86Å; Y279-P334 HydrophobicContact CE2-CG 3.85Å; Y279-P334 HydrophobicContact CG-CG 4.34Å; W328-P334 WeakPolarHBondContact O-CA 3.5Å; F331-P334 VanDerWaalsContact O-CA 3.32Å; F331-P334 WeakPolarHBondContact O-CA 3.44Å; F331-P334 WeakPolarHBondContact O-CB 3.12Å; F331-P334 WeakPolarHBondContact O-CD 3.46Å; F331-P334 VanDerWaalsContact O-N 3.07Å; P334-S336 PolarHBondContact O-N 3.08Å
335F92Very high89.6Confident67 Ų6759.8 Ų59.829%0.29434%0.336SS..  trans-82.7116.2179.8-66.6-27.2000111.5F271 Q275 P333F271-F335 HydrophobicContact CE1-CE1 4.45Å; F271-F335 HydrophobicContact CE1-CZ 4.32Å; Q275-F335 HydrophobicContact CB-CD1 3.95Å; Q275-F335 HydrophobicContact CB-CE1 4.21Å; Q275-F335 HydrophobicContact CG-CD1 3.9Å; Q275-F335 HydrophobicContact CG-CE1 4.26Å; P333-F335 HydrophobicContact CB-CD1 4.29Å; P333-F335 HydrophobicContact CB-CD2 4.32Å; P333-F335 HydrophobicContact CB-CE1 4.02Å; P333-F335 HydrophobicContact CB-CE2 4.06Å; P333-F335 HydrophobicContact CB-CG 4.43Å; P333-F335 HydrophobicContact CB-CZ 3.9Å; P333-F335 HydrophobicContact CG-CD1 4.4Å; P333-F335 HydrophobicContact CG-CD2 3.58Å; P333-F335 HydrophobicContact CG-CE1 4.19Å; P333-F335 HydrophobicContact CG-CE2 3.31Å; P333-F335 HydrophobicContact CG-CG 4.13Å; P333-F335 HydrophobicContact CG-CZ 3.65Å; P333-F335 PolarHBondContact O-N 3.21Å
336S92.9Very high89.6Confident1 Ų160.9 Ų60.91%0.00734%0.342CS..Hα-helixtrans-69.5-36.2174.863.30000111.6Q275 P334 S338 H339 I340Q275-S336 PolarHBondContact OE1-OG 3.29Å; P334-S336 PolarHBondContact O-N 3.08Å; S336-S338 PolarHBondContact O-N 3.14Å; S336-H339 PolarHBondContact O-N 3.45Å; S336-I340 WeakPolarHBondContact O-CD1 3.37Å; S336-I340 VanDerWaalsContact O-CG1 3.23Å; S336-I340 WeakPolarHBondContact O-CG1 3.36Å; S336-I340 PolarHBondContact O-N 3.26Å
337Y92.6Very high89.3Confident50 Ų5061.2 Ų61.220%0.19634%0.344CS..Hα-helixtrans-57.9-50.1-171.4-178.5-100.7000113.2V85 F87 S204 H339 Q341V85-Y337 HydrophobicContact CG1-CE2 4.13Å; F87-Y337 AromaticContact CE2-CD2 3.74Å; F87-Y337 HydrophobicContact CE2-CD2 3.74Å; F87-Y337 AromaticContact CE2-CE2 3.79Å; F87-Y337 HydrophobicContact CE2-CE2 3.79Å; S204-Y337 PolarHBondContact OG-OH 3.03Å; Y337-H339 VanDerWaalsContact C-N 3.34Å; Y337-H339 PolarHBondContact O-N 3.07Å; Y337-Q341 HydrophobicContact CD1-CG 4.29Å; Y337-Q341 HydrophobicContact CD2-CG 4.29Å; Y337-Q341 HydrophobicContact CE1-CG 3.93Å; Y337-Q341 HydrophobicContact CE2-CG 3.92Å; Y337-Q341 HydrophobicContact CG-CG 4.46Å; Y337-Q341 VanDerWaalsContact O-CB 3.27Å; Y337-Q341 WeakPolarHBondContact O-CB 3.47Å; Y337-Q341 WeakPolarHBondContact O-CG 3.23Å; Y337-Q341 PolarHBondContact O-N 2.78Å
338S89.7Confident88.8Confident70 Ų7058.1 Ų58.149%0.4933%0.331SS..Hα-helixtrans-66.7-36.7-178.851.50000112.3S336 K342S336-S338 PolarHBondContact O-N 3.14Å; S338-K342 WeakPolarHBondContact O-CB 3.37Å; S338-K342 PolarHBondContact O-N 2.87Å
339H91.5Very high88.4Confident47 Ų4762.9 Ų62.922%0.21836%0.356CS..Hα-helixtrans-64.8-53176.6179.675.1000111.5W328 F331 S336 Y337 Q341 K342 S343W328-H339 HydrophobicContact CB-CB 3.74Å; W328-H339 AromaticContact CD1-CD2 3.41Å; W328-H339 VanDerWaalsContact CD1-CD2 3.41Å; W328-H339 AromaticContact CD1-CG 3.9Å; W328-H339 HydrophobicContact CG-CB 4.21Å; F331-H339 HydrophobicContact CE2-CB 4.01Å; F331-H339 AromaticContact CE2-ND1 3.78Å; F331-H339 AromaticContact CZ-ND1 3.9Å; S336-H339 PolarHBondContact O-N 3.45Å; Y337-H339 VanDerWaalsContact C-N 3.34Å; Y337-H339 PolarHBondContact O-N 3.07Å; H339-Q341 VanDerWaalsContact C-N 3.34Å; H339-Q341 PolarHBondContact O-N 2.84Å; H339-K342 PolarHBondContact O-N 3.5Å; H339-K342 VanDerWaalsContact O-N 3.15Å; H339-S343 PolarHBondContact O-N 2.91Å; H339-S343 PolarHBondContact O-OG 3.01Å
340I90.9Very high87.9Confident2 Ų268.2 Ų68.21%0.0137%0.373CS..Hα-helixtrans-67.2-38.9-175.3-57.4161.9000110.3E81 L84 V85 S336 K342 S343 Q344 W345E81-I340 HydrophobicContact CG-CD1 3.96Å; E81-I340 HydrophobicContact CG-CG1 4.26Å; E81-I340 WeakPolarHBondContact O-CD1 3.42Å; L84-I340 HydrophobicContact CB-CD1 3.78Å; L84-I340 HydrophobicContact CD1-CD1 4.07Å; V85-I340 HydrophobicContact CG2-CB 3.7Å; V85-I340 HydrophobicContact CG2-CG2 3.4Å; S336-I340 WeakPolarHBondContact O-CD1 3.37Å; S336-I340 VanDerWaalsContact O-CG1 3.23Å; S336-I340 WeakPolarHBondContact O-CG1 3.36Å; S336-I340 PolarHBondContact O-N 3.26Å; I340-K342 VanDerWaalsContact C-N 3.26Å; I340-K342 PolarHBondContact O-N 3.5Å; I340-S343 PolarHBondContact O-N 2.96Å; I340-S343 PolarHBondContact O-OG 3.38Å; I340-Q344 HydrophobicContact CG2-CB 4.48Å; I340-Q344 HydrophobicContact CG2-CG 3.72Å; I340-Q344 VanDerWaalsContact O-CB 3.28Å; I340-Q344 WeakPolarHBondContact O-CB 3.18Å; I340-Q344 WeakPolarHBondContact O-CG 3.25Å; I340-Q344 PolarHBondContact O-N 2.85Å; I340-W345 HydrophobicContact CG2-CZ3 4.08Å
341Q89.7Confident87.1Confident29 Ų2965.3 Ų65.314%0.13636%0.358CS..Hα-helixtrans-57-41.5173.4-77.7-72-76.500112.3V85 Y337 H339 W345 V347V85-Q341 HydrophobicContact CG2-CG 4.49Å; Y337-Q341 HydrophobicContact CD1-CG 4.29Å; Y337-Q341 HydrophobicContact CD2-CG 4.29Å; Y337-Q341 HydrophobicContact CE1-CG 3.93Å; Y337-Q341 HydrophobicContact CE2-CG 3.92Å; Y337-Q341 HydrophobicContact CG-CG 4.46Å; Y337-Q341 VanDerWaalsContact O-CB 3.27Å; Y337-Q341 WeakPolarHBondContact O-CB 3.47Å; Y337-Q341 WeakPolarHBondContact O-CG 3.23Å; Y337-Q341 PolarHBondContact O-N 2.78Å; H339-Q341 VanDerWaalsContact C-N 3.34Å; H339-Q341 PolarHBondContact O-N 2.84Å; Q341-W345 VanDerWaalsContact NE2-CZ3 3.34Å; Q341-W345 PolarHBondContact O-N 2.84Å; Q341-V347 HydrophobicContact CB-CB 4.06Å; Q341-V347 HydrophobicContact CB-CG1 4.47Å; Q341-V347 HydrophobicContact CB-CG2 4.11Å; Q341-V347 WeakPolarHBondContact O-CB 3.38Å; Q341-V347 WeakPolarHBondContact O-CG2 3.49Å; Q341-V347 PolarHBondContact O-N 3.11Å
342K88.8Confident86.4Confident146 Ų14662.6 Ų62.664%0.63535%0.346SS*.Hα-helixtrans-72.8-43.5178.1-174.6175.1179.5179.40112.5S338 H339 I340 D346S338-K342 WeakPolarHBondContact O-CB 3.37Å; S338-K342 PolarHBondContact O-N 2.87Å; H339-K342 PolarHBondContact O-N 3.5Å; H339-K342 VanDerWaalsContact O-N 3.15Å; I340-K342 VanDerWaalsContact C-N 3.26Å; I340-K342 PolarHBondContact O-N 3.5Å; K342-D346 WeakPolarHBondContact O-CA 3.36Å; K342-D346 PolarHBondContact O-N 2.81Å
343S85.8Confident86Confident65 Ų6561.8 Ų61.846%0.45532%0.321SS..Hα-helixtrans-77.1-30.4-174.463.70000114H339 I340H339-S343 PolarHBondContact O-N 2.91Å; H339-S343 PolarHBondContact O-OG 3.01Å; I340-S343 PolarHBondContact O-N 2.96Å; I340-S343 PolarHBondContact O-OG 3.38Å
344Q82.6Confident85.7Confident99 Ų9963.3 Ų63.346%0.46332%0.321SS..Hα-helixtrans-97.8-29.8-176.1-65-68.9-6100113.4I340I340-Q344 HydrophobicContact CG2-CB 4.48Å; I340-Q344 HydrophobicContact CG2-CG 3.72Å; I340-Q344 VanDerWaalsContact O-CB 3.28Å; I340-Q344 WeakPolarHBondContact O-CB 3.18Å; I340-Q344 WeakPolarHBondContact O-CG 3.25Å; I340-Q344 PolarHBondContact O-N 2.85Å
345W82.9Confident85.3Confident68 Ų6868.5 Ų68.526%0.25835%0.346SS..Hα-helixtrans-130.413.1-173-63.9-77.5000113.9V85 F86 I340 Q341 V347V85-W345 HydrophobicContact CB-CH2 3.97Å; V85-W345 HydrophobicContact CB-CZ3 3.94Å; V85-W345 HydrophobicContact CG1-CH2 3.9Å; V85-W345 HydrophobicContact CG1-CZ3 3.82Å; V85-W345 HydrophobicContact CG2-CH2 3.92Å; V85-W345 HydrophobicContact CG2-CZ3 3.45Å; V85-W345 VanDerWaalsContact CG2-CZ3 3.45Å; F86-W345 HydrophobicContact CE2-CH2 4.43Å; F86-W345 HydrophobicContact CZ-CZ2 4.49Å; I340-W345 HydrophobicContact CG2-CZ3 4.08Å; Q341-W345 VanDerWaalsContact NE2-CZ3 3.34Å; Q341-W345 PolarHBondContact O-N 2.84Å; W345-V347 HydrophobicContact CB-CG2 4.03Å; W345-V347 PolarHBondContact O-N 3.37Å
346D84.3Confident84.9Confident105 Ų10575.8 Ų75.856%0.56137%0.372SS*.  trans50.732.1180-66.6-48.7000113.7K342 G348K342-D346 WeakPolarHBondContact O-CA 3.36Å; K342-D346 PolarHBondContact O-N 2.81Å; D346-G348 PolarHBondContact O-N 2.91Å; D346-G348 VanDerWaalsContact O-N 3.12Å
347V81.3Confident84.6Confident22 Ų2277.8 Ų77.813%0.13338%0.381CS..  trans-64.7117.3179.3176.20000109Q341 W345 H418Q341-V347 HydrophobicContact CB-CB 4.06Å; Q341-V347 HydrophobicContact CB-CG1 4.47Å; Q341-V347 HydrophobicContact CB-CG2 4.11Å; Q341-V347 WeakPolarHBondContact O-CB 3.38Å; Q341-V347 WeakPolarHBondContact O-CG2 3.49Å; Q341-V347 PolarHBondContact O-N 3.11Å; W345-V347 HydrophobicContact CB-CG2 4.03Å; W345-V347 PolarHBondContact O-N 3.37Å; V347-H418 WeakPolarHBondContact CA-O 3.15Å; V347-H418 WeakPolarHBondContact CG1-O 3.47Å
348G80.7Confident84.4Confident27 Ų2779.6 Ų79.628%0.27839%0.393SS..SBendtrans173.6158.3-173.500000110.9D346 W350 G351 H418D346-G348 PolarHBondContact O-N 2.91Å; D346-G348 VanDerWaalsContact O-N 3.12Å; G348-W350 PolarHBondContact O-N 2.75Å; G348-W350 VanDerWaalsContact O-N 3.07Å; G348-G351 PolarHBondContact O-N 2.71Å; G348-H418 PolarHBondContact N-O 3.22Å; G348-H418 WeakPolarHBondContact O-CA 3.45Å
349L83.4Confident84.4Confident100 Ų10080.2 Ų80.252%0.52440%0.395SS..THydrogen-bonded Turntrans-57.8116.5179.6-174.772.8000109.7G351 L417 H418L349-G351 PolarHBondContact O-N 3.47Å; L349-L417 HydrophobicContact CD1-CB 4.13Å; L349-H418 VanDerWaalsContact CD1-CE1 3.45Å; L349-H418 WeakPolarHBondContact CD1-CE1 3.34Å
350W81.1Confident84.3Confident136 Ų13679.8 Ų79.852%0.51540%0.395SS..THydrogen-bonded Turntrans64.14.6-175.8-44.7114.2000116.3G348 Y352 Y353 L417G348-W350 PolarHBondContact O-N 2.75Å; G348-W350 VanDerWaalsContact O-N 3.07Å; W350-Y352 PolarHBondContact O-N 2.72Å; W350-Y352 VanDerWaalsContact O-N 3.15Å; W350-Y353 HydrophobicContact CB-CD2 4.45Å; W350-Y353 AromaticContact CE3-CD1 3.99Å; W350-Y353 HydrophobicContact CE3-CD1 3.99Å; W350-Y353 AromaticContact CE3-CD2 3.79Å; W350-Y353 HydrophobicContact CE3-CD2 3.79Å; W350-Y353 AromaticContact CE3-CE1 3.81Å; W350-Y353 HydrophobicContact CE3-CE1 3.81Å; W350-Y353 AromaticContact CE3-CE2 3.61Å; W350-Y353 HydrophobicContact CE3-CE2 3.61Å; W350-Y353 AromaticContact CE3-CG 3.98Å; W350-Y353 HydrophobicContact CE3-CG 3.98Å; W350-Y353 AromaticContact CE3-CZ 3.61Å; W350-Y353 HydrophobicContact CZ3-CD1 4.27Å; W350-Y353 AromaticContact CZ3-CE1 3.69Å; W350-Y353 HydrophobicContact CZ3-CE1 3.69Å; W350-Y353 HydrophobicContact CZ3-CE2 4.01Å; W350-Y353 AromaticContact CZ3-CZ 3.54Å; W350-Y353 PolarHBondContact O-N 3.31Å; W350-Y353 VanDerWaalsContact O-N 3.11Å; W350-L417 HydrophobicContact CE3-CD2 4.34Å; W350-L417 HydrophobicContact CH2-CD2 3.21Å; W350-L417 HydrophobicContact CZ2-CD2 3.7Å; W350-L417 HydrophobicContact CZ3-CD2 3.58Å; W350-L417 PolarHBondContact N-O 3.29Å
351G75.7Confident84.2Confident36 Ų3682.1 Ų82.137%0.37141%0.405SS..THydrogen-bonded Turntrans-59-31.5-176.100000113.7G348 L349G348-G351 PolarHBondContact O-N 2.71Å; L349-G351 PolarHBondContact O-N 3.47Å
352Y78.4Confident84.3Confident22 Ų2285.9 Ų85.99%0.08643%0.425CS..THydrogen-bonded Turntrans-86.5-9.7-178.4-170.8-114.9000114.9W350 Q354 Q357 N360 F361 N420 V421 Q422W350-Y352 PolarHBondContact O-N 2.72Å; W350-Y352 VanDerWaalsContact O-N 3.15Å; Y352-Q354 PolarHBondContact O-N 3.49Å; Y352-Q357 HydrophobicContact CD2-CG 4.39Å; Y352-Q357 HydrophobicContact CE1-CB 3.88Å; Y352-Q357 HydrophobicContact CE1-CG 4.01Å; Y352-Q357 HydrophobicContact CE2-CG 3.86Å; Y352-Q357 VanDerWaalsContact CZ-CD 3.46Å; Y352-Q357 PolarHBondContact OH-OE1 2.97Å; Y352-N360 PolarHBondContact OH-ND2 3.21Å; Y352-F361 HydrophobicContact CD1-CE2 4.18Å; Y352-F361 HydrophobicContact CD1-CZ 4.25Å; Y352-F361 HydrophobicContact CE1-CE2 4.29Å; Y352-N420 WeakPolarHBondContact CD2-OD1 3.36Å; Y352-N420 HydrophobicContact CE2-CB 4.4Å; Y352-N420 WeakPolarHBondContact CE2-OD1 3.06Å; Y352-V421 HydrophobicContact CD1-CG1 4.49Å; Y352-V421 HydrophobicContact CE1-CG1 4Å; Y352-Q422 VanDerWaalsContact CE1-OE1 3.27Å; Y352-Q422 VanDerWaalsContact OH-CD 3.24Å; Y352-Q422 PolarHBondContact OH-NE2 3.27Å; Y352-Q422 VanDerWaalsContact OH-NE2 3.13Å; Y352-Q422 PolarHBondContact OH-OE1 3.2Å
353Y80.9Confident84.4Confident88 Ų8880.5 Ų80.535%0.34540%0.403SS..  trans-78.396.2-169.7-79.7-114.3000111.4W350 F361 V416W350-Y353 HydrophobicContact CB-CD2 4.45Å; W350-Y353 AromaticContact CE3-CD1 3.99Å; W350-Y353 HydrophobicContact CE3-CD1 3.99Å; W350-Y353 AromaticContact CE3-CD2 3.79Å; W350-Y353 HydrophobicContact CE3-CD2 3.79Å; W350-Y353 AromaticContact CE3-CE1 3.81Å; W350-Y353 HydrophobicContact CE3-CE1 3.81Å; W350-Y353 AromaticContact CE3-CE2 3.61Å; W350-Y353 HydrophobicContact CE3-CE2 3.61Å; W350-Y353 AromaticContact CE3-CG 3.98Å; W350-Y353 HydrophobicContact CE3-CG 3.98Å; W350-Y353 AromaticContact CE3-CZ 3.61Å; W350-Y353 HydrophobicContact CZ3-CD1 4.27Å; W350-Y353 AromaticContact CZ3-CE1 3.69Å; W350-Y353 HydrophobicContact CZ3-CE1 3.69Å; W350-Y353 HydrophobicContact CZ3-CE2 4.01Å; W350-Y353 AromaticContact CZ3-CZ 3.54Å; W350-Y353 PolarHBondContact O-N 3.31Å; W350-Y353 VanDerWaalsContact O-N 3.11Å; Y353-F361 AromaticContact CD1-CZ 3.95Å; Y353-F361 HydrophobicContact CD1-CZ 3.95Å; Y353-F361 HydrophobicContact CD2-CZ 4.06Å; Y353-F361 AromaticContact CE1-CE1 3.86Å; Y353-F361 HydrophobicContact CE1-CE1 3.86Å; Y353-F361 AromaticContact CE1-CZ 3.72Å; Y353-F361 HydrophobicContact CE1-CZ 3.72Å; Y353-F361 HydrophobicContact CE2-CE1 4.22Å; Y353-F361 AromaticContact CE2-CZ 3.83Å; Y353-F361 HydrophobicContact CE2-CZ 3.83Å; Y353-F361 HydrophobicContact CG-CZ 4.12Å; Y353-F361 AromaticContact CZ-CE1 3.69Å; Y353-F361 AromaticContact CZ-CZ 3.66Å; Y353-V416 WeakPolarHBondContact CE2-O 3.35Å; Y353-V416 VanDerWaalsContact OH-CG1 3.28Å; Y353-V416 WeakPolarHBondContact OH-CG1 2.89Å; Y353-V416 PolarHBondContact OH-O 2.86Å
354Q83.3Confident84.8Confident108 Ų10877.6 Ų77.651%0.50538%0.382SS..  trans-132.6147.5173.4-58.6179.7-5.300109.9Y352 R356 Q357Y352-Q354 PolarHBondContact O-N 3.49Å; Q354-R356 PolarHBondContact O-N 3.4Å; Q354-R356 VanDerWaalsContact O-N 3.08Å; Q354-Q357 HydrophobicContact CB-CG 4.21Å; Q354-Q357 WeakPolarHBondContact O-CB 3.23Å; Q354-Q357 PolarHBondContact O-N 2.84Å
355L83.7Confident85.3Confident151 Ų15177.5 Ų77.579%0.79138%0.384SS*.G310 helixtrans-56.3-29.4179-68.3176.2000112.9Q357 I358L355-Q357 PolarHBondContact O-N 3.5Å; L355-I358 HydrophobicContact CB-CD1 4.48Å; L355-I358 HydrophobicContact CD2-CD1 4.04Å; L355-I358 WeakPolarHBondContact O-CD1 3.17Å; L355-I358 VanDerWaalsContact O-CG1 3.24Å; L355-I358 WeakPolarHBondContact O-CG1 3.19Å; L355-I358 PolarHBondContact O-N 2.93Å
356R83.5Confident85.9Confident219 Ų21976.2 Ų76.283%0.82639%0.385SS*.G310 helixtrans-64.6-22.6175.9-63.5-178.3-179.5-174.9-0113.3Q354 P359Q354-R356 PolarHBondContact O-N 3.4Å; Q354-R356 VanDerWaalsContact O-N 3.08Å; R356-P359 WeakPolarHBondContact O-CD 3.42Å
357Q85.7Confident86.5Confident44 Ų4471.2 Ų71.221%0.20636%0.358CS..G310 helixtrans-90.70.2-177.4-54.5-60.9-6.100113.4Y352 Q354 L355 P359 N360 F361Y352-Q357 HydrophobicContact CD2-CG 4.39Å; Y352-Q357 HydrophobicContact CE1-CB 3.88Å; Y352-Q357 HydrophobicContact CE1-CG 4.01Å; Y352-Q357 HydrophobicContact CE2-CG 3.86Å; Y352-Q357 VanDerWaalsContact CZ-CD 3.46Å; Y352-Q357 PolarHBondContact OH-OE1 2.97Å; Q354-Q357 HydrophobicContact CB-CG 4.21Å; Q354-Q357 WeakPolarHBondContact O-CB 3.23Å; Q354-Q357 PolarHBondContact O-N 2.84Å; L355-Q357 PolarHBondContact O-N 3.5Å; Q357-P359 VanDerWaalsContact C-CD 3.41Å; Q357-P359 VanDerWaalsContact C-N 3.3Å; Q357-N360 WeakPolarHBondContact O-CA 3.02Å; Q357-N360 VanDerWaalsContact O-CB 3.32Å; Q357-N360 WeakPolarHBondContact O-CB 3.5Å; Q357-N360 PolarHBondContact O-N 2.78Å; Q357-N360 PolarHBondContact OE1-ND2 3.03Å; Q357-F361 HydrophobicContact CB-CD2 4.34Å; Q357-F361 HydrophobicContact CB-CE2 4.16Å; Q357-F361 WeakPolarHBondContact O-CD2 3.28Å; Q357-F361 PolarHBondContact O-N 2.92Å; Q357-F361 VanDerWaalsContact O-N 3.16Å
358I88.1Confident87.3Confident87 Ų8771.2 Ų71.245%0.44636%0.358SS..Hα-helixtrans-49.3-43.5178.1-69.8168.6000112.8L355 N360 F361 I362L355-I358 HydrophobicContact CB-CD1 4.48Å; L355-I358 HydrophobicContact CD2-CD1 4.04Å; L355-I358 WeakPolarHBondContact O-CD1 3.17Å; L355-I358 VanDerWaalsContact O-CG1 3.24Å; L355-I358 WeakPolarHBondContact O-CG1 3.19Å; L355-I358 PolarHBondContact O-N 2.93Å; I358-N360 VanDerWaalsContact C-N 3.26Å; I358-N360 PolarHBondContact O-N 3.09Å; I358-F361 WeakPolarHBondContact O-CB 3.5Å; I358-F361 PolarHBondContact O-N 3.48Å; I358-F361 VanDerWaalsContact O-N 3.15Å; I358-I362 HydrophobicContact CG2-CD1 3.93Å; I358-I362 HydrophobicContact CG2-CG1 4.4Å; I358-I362 WeakPolarHBondContact O-CG1 3.36Å; I358-I362 PolarHBondContact O-N 3.08Å
359P89.4Confident88Confident83 Ų8372.8 Ų72.854%0.53936%0.363SS..Hα-helixtrans-57.9-36.7175.9-26.136.3000113.7R356 Q357 I362 L363R356-P359 WeakPolarHBondContact O-CD 3.42Å; Q357-P359 VanDerWaalsContact C-CD 3.41Å; Q357-P359 VanDerWaalsContact C-N 3.3Å; P359-I362 PolarHBondContact O-N 3.41Å; P359-L363 PolarHBondContact O-N 3.43Å
360N88.9Confident88.7Confident39 Ų3968.9 Ų68.921%0.20934%0.342CS..Hα-helixtrans-69.6-36.6177.8-72-35.5000112Y352 Q357 I358 L363 S364 V421 Q422Y352-N360 PolarHBondContact OH-ND2 3.21Å; Q357-N360 WeakPolarHBondContact O-CA 3.02Å; Q357-N360 VanDerWaalsContact O-CB 3.32Å; Q357-N360 WeakPolarHBondContact O-CB 3.5Å; Q357-N360 PolarHBondContact O-N 2.78Å; Q357-N360 PolarHBondContact OE1-ND2 3.03Å; I358-N360 VanDerWaalsContact C-N 3.26Å; I358-N360 PolarHBondContact O-N 3.09Å; N360-L363 PolarHBondContact O-N 2.95Å; N360-S364 PolarHBondContact O-N 3.34Å; N360-V421 HydrophobicContact CB-CG1 4.35Å; N360-Q422 HydrophobicContact CB-CB 4.06Å
361F90.7Very high89.5Confident51 Ų5162.4 Ų62.422%0.22432%0.318CS..Hα-helixtrans-63.4-44.7171-77.9-85.1000111.6Y352 Y353 Q357 I358 L363 S364 L365 V421Y352-F361 HydrophobicContact CD1-CE2 4.18Å; Y352-F361 HydrophobicContact CD1-CZ 4.25Å; Y352-F361 HydrophobicContact CE1-CE2 4.29Å; Y353-F361 AromaticContact CD1-CZ 3.95Å; Y353-F361 HydrophobicContact CD1-CZ 3.95Å; Y353-F361 HydrophobicContact CD2-CZ 4.06Å; Y353-F361 AromaticContact CE1-CE1 3.86Å; Y353-F361 HydrophobicContact CE1-CE1 3.86Å; Y353-F361 AromaticContact CE1-CZ 3.72Å; Y353-F361 HydrophobicContact CE1-CZ 3.72Å; Y353-F361 HydrophobicContact CE2-CE1 4.22Å; Y353-F361 AromaticContact CE2-CZ 3.83Å; Y353-F361 HydrophobicContact CE2-CZ 3.83Å; Y353-F361 HydrophobicContact CG-CZ 4.12Å; Y353-F361 AromaticContact CZ-CE1 3.69Å; Y353-F361 AromaticContact CZ-CZ 3.66Å; Q357-F361 HydrophobicContact CB-CD2 4.34Å; Q357-F361 HydrophobicContact CB-CE2 4.16Å; Q357-F361 WeakPolarHBondContact O-CD2 3.28Å; Q357-F361 PolarHBondContact O-N 2.92Å; Q357-F361 VanDerWaalsContact O-N 3.16Å; I358-F361 WeakPolarHBondContact O-CB 3.5Å; I358-F361 PolarHBondContact O-N 3.48Å; I358-F361 VanDerWaalsContact O-N 3.15Å; F361-L363 VanDerWaalsContact C-N 3.29Å; F361-L363 PolarHBondContact O-N 3.07Å; F361-S364 PolarHBondContact O-N 2.64Å; F361-S364 PolarHBondContact O-OG 3.16Å; F361-L365 PolarHBondContact O-N 3.01Å; F361-V421 HydrophobicContact CB-CG1 4.38Å; F361-V421 HydrophobicContact CD1-CB 4.1Å; F361-V421 HydrophobicContact CD1-CG1 3.74Å; F361-V421 HydrophobicContact CD1-CG2 3.91Å; F361-V421 HydrophobicContact CD2-CG1 4.06Å; F361-V421 HydrophobicContact CE1-CB 3.93Å; F361-V421 HydrophobicContact CE1-CG1 3.93Å; F361-V421 HydrophobicContact CE1-CG2 3.95Å; F361-V421 HydrophobicContact CE2-CG1 4.22Å; F361-V421 HydrophobicContact CG-CG1 3.81Å; F361-V421 HydrophobicContact CZ-CB 4.32Å; F361-V421 HydrophobicContact CZ-CG1 4.16Å
362I91.7Very high90.5Very high108 Ų10864.7 Ų64.755%0.55432%0.317SS*.Hα-helixtrans-59.6-42.1176.7-65.9168.8000110.7I358 P359 S364 L365I358-I362 HydrophobicContact CG2-CD1 3.93Å; I358-I362 HydrophobicContact CG2-CG1 4.4Å; I358-I362 WeakPolarHBondContact O-CG1 3.36Å; I358-I362 PolarHBondContact O-N 3.08Å; P359-I362 PolarHBondContact O-N 3.41Å; I362-S364 VanDerWaalsContact C-N 3.3Å; I362-S364 PolarHBondContact O-N 2.85Å; I362-L365 WeakPolarHBondContact O-CB 3.4Å; I362-L365 PolarHBondContact O-N 3.36Å
363L90.8Very high91.4Very high33 Ų3367.5 Ų67.517%0.17333%0.333CS..Hα-helixtrans-61.3-38179.6-173.362.1000112.5P359 N360 F361 Y501 W515 T516P359-L363 PolarHBondContact O-N 3.43Å; N360-L363 PolarHBondContact O-N 2.95Å; F361-L363 VanDerWaalsContact C-N 3.29Å; F361-L363 PolarHBondContact O-N 3.07Å; L363-Y501 HydrophobicContact CD1-CE1 3.73Å; L363-Y501 HydrophobicContact CG-CE1 4.42Å; L363-Y501 WeakPolarHBondContact O-CE1 3.37Å; L363-Y501 PolarHBondContact O-OH 2.8Å; L363-W515 HydrophobicContact CD1-CH2 4.41Å; L363-W515 HydrophobicContact CD1-CZ3 4.15Å; L363-T516 WeakPolarHBondContact CD2-OG1 3.48Å
364S92.8Very high92.2Very high3 Ų363.3 Ų63.32%0.02132%0.317CS..Hα-helixtrans-83.9-16.4177.872.80000114.6N360 F361 I362 P366 V367 V368 V421N360-S364 PolarHBondContact O-N 3.34Å; F361-S364 PolarHBondContact O-N 2.64Å; F361-S364 PolarHBondContact O-OG 3.16Å; I362-S364 VanDerWaalsContact C-N 3.3Å; I362-S364 PolarHBondContact O-N 2.85Å; S364-P366 VanDerWaalsContact C-CD 3.42Å; S364-P366 VanDerWaalsContact C-N 3.34Å; S364-V367 WeakPolarHBondContact O-CG1 3.21Å; S364-V367 PolarHBondContact O-N 3.32Å; S364-V367 VanDerWaalsContact O-N 3.15Å; S364-V368 WeakPolarHBondContact O-CG2 3.42Å; S364-V368 PolarHBondContact O-N 3.32Å; S364-V368 VanDerWaalsContact O-N 3.15Å; S364-V421 WeakPolarHBondContact CB-O 3.39Å; S364-V421 VanDerWaalsContact OG-CG2 3.25Å; S364-V421 WeakPolarHBondContact OG-CG2 3.12Å
365L94.4Very high93Very high97 Ų9758.7 Ų58.751%0.50830%0.297SS..Hα-helixtrans-54.5-39.1-173-176.964000114.1F361 I362 V367 V368 T369F361-L365 PolarHBondContact O-N 3.01Å; I362-L365 WeakPolarHBondContact O-CB 3.4Å; I362-L365 PolarHBondContact O-N 3.36Å; L365-V367 PolarHBondContact O-N 3.38Å; L365-V368 PolarHBondContact O-N 2.99Å; L365-T369 VanDerWaalsContact O-CB 3.29Å; L365-T369 WeakPolarHBondContact O-CB 3.36Å; L365-T369 PolarHBondContact O-N 3.08Å; L365-T369 PolarHBondContact O-OG1 3.3Å
366P95.8Very high93.6Very high42 Ų4255.3 Ų55.327%0.27328%0.279SS..Hα-helixtrans-60.8-44.7178-26.637000113.3S364 L370 Y497S364-P366 VanDerWaalsContact C-CD 3.42Å; S364-P366 VanDerWaalsContact C-N 3.34Å; P366-L370 VanDerWaalsContact O-CB 3.24Å; P366-L370 WeakPolarHBondContact O-CB 3.12Å; P366-L370 PolarHBondContact O-N 2.56Å; P366-Y497 HydrophobicContact CB-CD1 4.37Å; P366-Y497 HydrophobicContact CB-CD2 3.65Å; P366-Y497 HydrophobicContact CB-CE1 4.18Å; P366-Y497 HydrophobicContact CB-CE2 3.47Å; P366-Y497 VanDerWaalsContact CB-CE2 3.47Å; P366-Y497 HydrophobicContact CB-CG 4.12Å; P366-Y497 HydrophobicContact CG-CD2 4.14Å; P366-Y497 HydrophobicContact CG-CE2 4.02Å
367V96.7Very high94.3Very high0 Ų047.6 Ų47.60%026%0.256CS..Hα-helixtrans-69.8-38.6179.667.60000111.2S364 L365 L370 C371 L424 I428 F429S364-V367 WeakPolarHBondContact O-CG1 3.21Å; S364-V367 PolarHBondContact O-N 3.32Å; S364-V367 VanDerWaalsContact O-N 3.15Å; L365-V367 PolarHBondContact O-N 3.38Å; V367-L370 PolarHBondContact O-N 2.61Å; V367-C371 WeakPolarHBondContact O-CB 3.17Å; V367-C371 PolarHBondContact O-N 3.21Å; V367-C371 PolarHBondContact O-SG 3.02Å; V367-L424 HydrophobicContact CG1-CD2 4.45Å; V367-L424 HydrophobicContact CG1-CG 4.17Å; V367-I428 HydrophobicContact CG2-CB 3.8Å; V367-I428 HydrophobicContact CG2-CG1 4.06Å; V367-I428 HydrophobicContact CG2-CG2 3.76Å; V367-F429 HydrophobicContact CG2-CE2 4.11Å
368V96.9Very high94.8Very high21 Ų2146.6 Ų46.613%0.12725%0.251CS..Hα-helixtrans-59.1-53.4176174.90000109.8S364 L365 L370 C371 F372 V416 L424S364-V368 WeakPolarHBondContact O-CG2 3.42Å; S364-V368 PolarHBondContact O-N 3.32Å; S364-V368 VanDerWaalsContact O-N 3.15Å; L365-V368 PolarHBondContact O-N 2.99Å; V368-L370 VanDerWaalsContact C-N 3.3Å; V368-L370 PolarHBondContact O-N 3.06Å; V368-C371 WeakPolarHBondContact O-CB 3.39Å; V368-C371 PolarHBondContact O-N 3.47Å; V368-F372 HydrophobicContact CG1-CD2 3.75Å; V368-F372 HydrophobicContact CG1-CE2 3.71Å; V368-F372 VanDerWaalsContact O-CD2 3.23Å; V368-F372 WeakPolarHBondContact O-CD2 3.34Å; V368-F372 PolarHBondContact O-N 3.2Å; V368-V416 HydrophobicContact CG1-CG2 4.3Å; V368-V416 HydrophobicContact CG2-CG2 3.85Å; V368-L424 HydrophobicContact CG2-CD2 3.4Å; V368-L424 VanDerWaalsContact CG2-CD2 3.4Å
369T96.6Very high95.3Very high61 Ų6146.8 Ų46.837%0.37425%0.247SC..Hα-helixtrans-58.1-45.5-179.9-57.60000110.8L365 C371 F372 I373L365-T369 VanDerWaalsContact O-CB 3.29Å; L365-T369 WeakPolarHBondContact O-CB 3.36Å; L365-T369 PolarHBondContact O-N 3.08Å; L365-T369 PolarHBondContact O-OG1 3.3Å; T369-C371 PolarHBondContact O-N 2.93Å; T369-F372 PolarHBondContact O-N 3.11Å; T369-I373 HydrophobicContact CG2-CD1 3.64Å; T369-I373 HydrophobicContact CG2-CG1 4.28Å; T369-I373 WeakPolarHBondContact O-CB 3.34Å; T369-I373 VanDerWaalsContact O-CG1 3.26Å; T369-I373 WeakPolarHBondContact O-CG1 3.34Å; T369-I373 PolarHBondContact O-N 2.83Å
370L96.9Very high95.7Very high18 Ų1852.3 Ų52.39%0.09426%0.257CS..Hα-helixtrans-62-43.3178.9-172.967.2000112.2P366 V367 V368 C374 I435 Y438 C439P366-L370 VanDerWaalsContact O-CB 3.24Å; P366-L370 WeakPolarHBondContact O-CB 3.12Å; P366-L370 PolarHBondContact O-N 2.56Å; V367-L370 PolarHBondContact O-N 2.61Å; V368-L370 VanDerWaalsContact C-N 3.3Å; V368-L370 PolarHBondContact O-N 3.06Å; L370-C374 WeakPolarHBondContact O-CB 3.44Å; L370-C374 PolarHBondContact O-N 2.9Å; L370-I435 HydrophobicContact CB-CD1 4.27Å; L370-I435 HydrophobicContact CD2-CD1 3.55Å; L370-I435 HydrophobicContact CD2-CG1 3.65Å; L370-I435 HydrophobicContact CG-CD1 3.56Å; L370-I435 HydrophobicContact CG-CG1 4.24Å; L370-Y438 HydrophobicContact CD1-CD1 3.99Å; L370-Y438 HydrophobicContact CD1-CE1 3.87Å; L370-C439 VanDerWaalsContact CD2-SG 3.59Å
371C98.2Very high96Very high0 Ų056.7 Ų56.70%027%0.27CS..Hα-helixtrans-59.9-47175.6-75.10000112.1V367 V368 T369 C374 A375 M408 C412V367-C371 WeakPolarHBondContact O-CB 3.17Å; V367-C371 PolarHBondContact O-N 3.21Å; V367-C371 PolarHBondContact O-SG 3.02Å; V368-C371 WeakPolarHBondContact O-CB 3.39Å; V368-C371 PolarHBondContact O-N 3.47Å; T369-C371 PolarHBondContact O-N 2.93Å; C371-C374 PolarHBondContact O-N 3.22Å; C371-A375 WeakPolarHBondContact O-CB 3.4Å; C371-A375 PolarHBondContact O-N 3.36Å; C371-M408 HydrophobicContact CB-CE 4.34Å; C371-M408 HydrophobicContact CB-CG 4.27Å; C371-M408 HydrophobicContact CB-SD 4.16Å; C371-M408 WeakPolarHBondContact O-CE 3.48Å; C371-C412 HydrophobicContact CB-CB 4.05Å
372F98Very high96.3Very high83 Ų8354.6 Ų54.636%0.36426%0.263SS..Hα-helixtrans-68-43.4-179.6-80.1-73.6000112.3V368 T369 C374 A375 I376 L409V368-F372 HydrophobicContact CG1-CD2 3.75Å; V368-F372 HydrophobicContact CG1-CE2 3.71Å; V368-F372 VanDerWaalsContact O-CD2 3.23Å; V368-F372 WeakPolarHBondContact O-CD2 3.34Å; V368-F372 PolarHBondContact O-N 3.2Å; T369-F372 PolarHBondContact O-N 3.11Å; F372-C374 VanDerWaalsContact C-N 3.34Å; F372-C374 PolarHBondContact O-N 2.8Å; F372-A375 PolarHBondContact O-N 3.28Å; F372-I376 WeakPolarHBondContact O-CB 3.43Å; F372-I376 VanDerWaalsContact O-CG1 3.24Å; F372-I376 WeakPolarHBondContact O-CG1 3.5Å; F372-I376 PolarHBondContact O-N 2.9Å; F372-L409 HydrophobicContact CD1-CD1 3.99Å; F372-L409 HydrophobicContact CE1-CD1 3.66Å; F372-L409 HydrophobicContact CZ-CD1 4.35Å
373I97.5Very high96.6Very high81 Ų8151.7 Ų51.742%0.41525%0.251SS..Hα-helixtrans-63.5-42.3176.2-64.1173.5000110.5T369 I376 T377 Y438T369-I373 HydrophobicContact CG2-CD1 3.64Å; T369-I373 HydrophobicContact CG2-CG1 4.28Å; T369-I373 WeakPolarHBondContact O-CB 3.34Å; T369-I373 VanDerWaalsContact O-CG1 3.26Å; T369-I373 WeakPolarHBondContact O-CG1 3.34Å; T369-I373 PolarHBondContact O-N 2.83Å; I373-I376 PolarHBondContact O-N 3.49Å; I373-T377 WeakPolarHBondContact O-CB 3.24Å; I373-T377 PolarHBondContact O-N 3.48Å; I373-T377 PolarHBondContact O-OG1 2.87Å; I373-Y438 VanDerWaalsContact CG2-OH 3.27Å; I373-Y438 WeakPolarHBondContact CG2-OH 3.36Å
374C97.7Very high96.9Very high0 Ų055 Ų550%026%0.264CS..Hα-helixtrans-57-51174.4177.40000110.8L370 C371 F372 I376 T377 F378 M408 Y438L370-C374 WeakPolarHBondContact O-CB 3.44Å; L370-C374 PolarHBondContact O-N 2.9Å; C371-C374 PolarHBondContact O-N 3.22Å; F372-C374 VanDerWaalsContact C-N 3.34Å; F372-C374 PolarHBondContact O-N 2.8Å; C374-I376 PolarHBondContact O-N 2.72Å; C374-T377 PolarHBondContact O-N 3.41Å; C374-F378 WeakPolarHBondContact O-CD2 3.42Å; C374-F378 PolarHBondContact O-N 3.29Å; C374-M408 HydrophobicContact CB-CE 3.93Å; C374-M408 HydrophobicContact CB-SD 4.38Å; C374-Y438 HydrophobicContact CB-CD1 3.64Å; C374-Y438 HydrophobicContact CB-CD2 4.18Å; C374-Y438 HydrophobicContact CB-CE1 3.93Å; C374-Y438 HydrophobicContact CB-CE2 4.44Å; C374-Y438 HydrophobicContact CB-CG 3.77Å; C374-Y438 VanDerWaalsContact SG-CG 3.58Å
375A98.3Very high97.1Very high11 Ų1155 Ų559%0.09126%0.264CS..Hα-helixtrans-59.9-44.5178.800000112.5C371 F372 T377 F378 Y379 V405 M408 L409C371-A375 WeakPolarHBondContact O-CB 3.4Å; C371-A375 PolarHBondContact O-N 3.36Å; F372-A375 PolarHBondContact O-N 3.28Å; A375-T377 VanDerWaalsContact C-N 3.34Å; A375-T377 PolarHBondContact O-N 3.24Å; A375-F378 PolarHBondContact O-N 3.31Å; A375-Y379 VanDerWaalsContact O-CB 3.31Å; A375-Y379 WeakPolarHBondContact O-CB 3.48Å; A375-Y379 PolarHBondContact O-N 3.45Å; A375-V405 HydrophobicContact CB-CG1 3.93Å; A375-M408 HydrophobicContact CB-CE 4.19Å; A375-L409 HydrophobicContact CB-CD1 4.46Å
376I98.2Very high97.3Very high81 Ų8150.9 Ų50.942%0.41524%0.242SC..Hα-helixtrans-62.2-42.4176.9-69.2165000111F372 I373 C374 Y379 R380F372-I376 WeakPolarHBondContact O-CB 3.43Å; F372-I376 VanDerWaalsContact O-CG1 3.24Å; F372-I376 WeakPolarHBondContact O-CG1 3.5Å; F372-I376 PolarHBondContact O-N 2.9Å; I373-I376 PolarHBondContact O-N 3.49Å; C374-I376 PolarHBondContact O-N 2.72Å; I376-Y379 PolarHBondContact O-N 3.39Å; I376-R380 HydrophobicContact CG2-CG 4.33Å; I376-R380 WeakPolarHBondContact O-CB 3.33Å; I376-R380 VanDerWaalsContact O-CG 3.32Å; I376-R380 WeakPolarHBondContact O-CG 3.43Å; I376-R380 PolarHBondContact O-N 3.33Å
377T96.7Very high97.3Very high56 Ų5657.4 Ų57.434%0.34426%0.261SS..Hα-helixtrans-62-49.1-179.2-56.20000110.8I373 C374 A375 R380 R381 Y438I373-T377 WeakPolarHBondContact O-CB 3.24Å; I373-T377 PolarHBondContact O-N 3.48Å; I373-T377 PolarHBondContact O-OG1 2.87Å; C374-T377 PolarHBondContact O-N 3.41Å; A375-T377 VanDerWaalsContact C-N 3.34Å; A375-T377 PolarHBondContact O-N 3.24Å; T377-R380 PolarHBondContact O-N 3.09Å; T377-R381 PolarHBondContact O-N 2.96Å; T377-R381 VanDerWaalsContact O-N 3.07Å; T377-Y438 HydrophobicContact CG2-CE2 4.04Å; T377-Y438 PolarHBondContact OG1-OH 3.31Å
378F97.1Very high97.3Very high23 Ų2359.7 Ų59.710%0.10128%0.275CS..Hα-helixtrans-66.9-40177.9-84.8-71.7000112.5C374 A375 R380 R381 A382 Y386 M401 V405 I434 Y438C374-F378 WeakPolarHBondContact O-CD2 3.42Å; C374-F378 PolarHBondContact O-N 3.29Å; A375-F378 PolarHBondContact O-N 3.31Å; F378-R380 PolarHBondContact O-N 3.27Å; F378-R381 WeakPolarHBondContact O-CB 3.37Å; F378-R381 PolarHBondContact O-N 2.51Å; F378-A382 PolarHBondContact O-N 2.98Å; F378-Y386 HydrophobicContact CB-CE2 4.31Å; F378-Y386 WeakPolarHBondContact CB-OH 3.43Å; F378-Y386 WeakPolarHBondContact O-CE2 3.21Å; F378-M401 HydrophobicContact CD1-CB 4.38Å; F378-M401 HydrophobicContact CD1-CG 4.5Å; F378-M401 HydrophobicContact CE1-CB 4.4Å; F378-M401 HydrophobicContact CE1-CE 3.88Å; F378-M401 HydrophobicContact CE1-CG 4.04Å; F378-M401 HydrophobicContact CE2-CE 4.16Å; F378-M401 HydrophobicContact CZ-CE 3.66Å; F378-V405 HydrophobicContact CB-CG2 3.85Å; F378-V405 HydrophobicContact CD2-CG2 4.21Å; F378-V405 HydrophobicContact CG-CG2 4.07Å; F378-I434 HydrophobicContact CD2-CD1 4.1Å; F378-I434 HydrophobicContact CE2-CD1 3.97Å; F378-I434 HydrophobicContact CE2-CG1 4.13Å; F378-Y438 HydrophobicContact CE2-CD2 4.13Å
379Y97.8Very high97.2Very high91 Ų9165 Ų6536%0.35730%0.297SS..Hα-helixtrans-60.1-45.9175.1-178.6-90.3000112.2A375 I376 R381 A382 P383 Y386 R387A375-Y379 VanDerWaalsContact O-CB 3.31Å; A375-Y379 WeakPolarHBondContact O-CB 3.48Å; A375-Y379 PolarHBondContact O-N 3.45Å; I376-Y379 PolarHBondContact O-N 3.39Å; Y379-R381 VanDerWaalsContact C-N 3.28Å; Y379-R381 PolarHBondContact O-N 2.91Å; Y379-A382 CarbonylContact O-C 3.59Å; Y379-A382 PolarHBondContact O-N 3.08Å; Y379-P383 HydrophobicContact CE1-CB 4.27Å; Y379-P383 VanDerWaalsContact O-CA 3.26Å; Y379-P383 WeakPolarHBondContact O-CA 3.28Å; Y379-P383 WeakPolarHBondContact O-CD 3.16Å; Y379-Y386 HydrophobicContact CD2-CD2 4.24Å; Y379-Y386 HydrophobicContact CD2-CG 4.02Å; Y379-R387 PolarHBondContact OH-NE 2.92Å; Y379-R387 PolarHBondContact OH-NH2 2.97Å
380R97.6Very high97Very high200 Ų20062.1 Ų62.176%0.75528%0.279SS*.Hα-helixtrans-64.9-33.4178.5-76179.3175.4177.9-0.6112.5I376 T377 F378I376-R380 HydrophobicContact CG2-CG 4.33Å; I376-R380 WeakPolarHBondContact O-CB 3.33Å; I376-R380 VanDerWaalsContact O-CG 3.32Å; I376-R380 WeakPolarHBondContact O-CG 3.43Å; I376-R380 PolarHBondContact O-N 3.33Å; T377-R380 PolarHBondContact O-N 3.09Å; F378-R380 PolarHBondContact O-N 3.27Å
381R95.9Very high96.7Very high130 Ų13067.1 Ų67.149%0.49131%0.305SS..Hα-helixtrans-64.1-44.9175.4176.8-178.6168.876.67.9112.1T377 F378 Y379 D398T377-R381 PolarHBondContact O-N 2.96Å; T377-R381 VanDerWaalsContact O-N 3.07Å; F378-R381 WeakPolarHBondContact O-CB 3.37Å; F378-R381 PolarHBondContact O-N 2.51Å; Y379-R381 VanDerWaalsContact C-N 3.28Å; Y379-R381 PolarHBondContact O-N 2.91Å; R381-D398 IonicContact CZ-OD1 3.72Å; R381-D398 IonicContact NE-OD1 2.86Å; R381-D398 PolarHBondContact NE-OD1 2.82Å; R381-D398 IonicContact NH2-OD1 3.72Å
382A97.2Very high96.5Very high7 Ų773 Ų736%0.05833%0.328CS..  trans-139.863.4-172.400000113.2F378 Y379 K384 A385 Y386 D398F378-A382 PolarHBondContact O-N 2.98Å; Y379-A382 CarbonylContact O-C 3.59Å; Y379-A382 PolarHBondContact O-N 3.08Å; A382-K384 VanDerWaalsContact C-N 3.26Å; A382-K384 PolarHBondContact O-N 2.98Å; A382-K384 VanDerWaalsContact O-N 3.14Å; A382-A385 HydrophobicContact CB-CB 4.02Å; A382-A385 WeakPolarHBondContact O-CB 3.26Å; A382-A385 PolarHBondContact O-N 3.3Å; A382-Y386 HydrophobicContact CB-CE2 4.27Å; A382-Y386 WeakPolarHBondContact O-CD2 3.41Å; A382-Y386 PolarHBondContact O-N 2.68Å; A382-D398 HydrophobicContact CB-CB 3.59Å; A382-D398 VanDerWaalsContact CB-CG 3.44Å
383P97.4Very high96.3Very high48 Ų4869.8 Ų69.831%0.31232%0.317SS..Hα-helixtrans-60.2-33.7-170.322.8-34.1000113.4Y379 Y386 R387Y379-P383 HydrophobicContact CE1-CB 4.27Å; Y379-P383 VanDerWaalsContact O-CA 3.26Å; Y379-P383 WeakPolarHBondContact O-CA 3.28Å; Y379-P383 WeakPolarHBondContact O-CD 3.16Å; P383-Y386 PolarHBondContact O-N 2.87Å; P383-R387 WeakPolarHBondContact O-CB 3.36Å; P383-R387 VanDerWaalsContact O-CG 3.24Å; P383-R387 WeakPolarHBondContact O-CG 3.27Å; P383-R387 PolarHBondContact O-N 3.24Å
384K97.2Very high96.2Very high103 Ų10372.3 Ų72.345%0.44833%0.327SS..Hα-helixtrans-66.6-36.5177.3-60.4175.8-171.1154.80112.3A382 T388 Y392 E394A382-K384 VanDerWaalsContact C-N 3.26Å; A382-K384 PolarHBondContact O-N 2.98Å; A382-K384 VanDerWaalsContact O-N 3.14Å; K384-T388 WeakPolarHBondContact O-CB 3.5Å; K384-T388 WeakPolarHBondContact O-CG2 3.14Å; K384-T388 PolarHBondContact O-N 3.4Å; K384-T388 VanDerWaalsContact O-N 3.08Å; K384-T388 PolarHBondContact O-OG1 3.31Å; K384-Y392 CarbonylContact C-O 3.52Å; K384-Y392 HydrophobicContact CB-CD1 3.87Å; K384-Y392 HydrophobicContact CB-CE1 4.17Å; K384-Y392 HydrophobicContact CD-CD1 4.06Å; K384-Y392 HydrophobicContact CD-CE1 3.56Å; K384-E394 IonicContact NZ-OE1 2.84Å; K384-E394 PolarHBondContact NZ-OE1 3.31Å
385A97.3Very high96Very high2 Ų274.6 Ų74.62%0.01734%0.342CS..Hα-helixtrans-61.6-47.8175.400000110.6A382 T388 F389 G390 Y392 A393 D398 V402A382-A385 HydrophobicContact CB-CB 4.02Å; A382-A385 WeakPolarHBondContact O-CB 3.26Å; A382-A385 PolarHBondContact O-N 3.3Å; A385-T388 PolarHBondContact O-N 3.26Å; A385-T388 PolarHBondContact O-OG1 3.46Å; A385-F389 PolarHBondContact O-N 3.31Å; A385-F389 VanDerWaalsContact O-N 3.16Å; A385-G390 PolarHBondContact O-N 2.93Å; A385-Y392 WeakPolarHBondContact CA-O 3.33Å; A385-Y392 PolarHBondContact N-O 2.96Å; A385-A393 HydrophobicContact CB-CB 3.91Å; A385-D398 HydrophobicContact CB-CB 4.38Å; A385-V402 HydrophobicContact CB-CG2 4.12Å
386Y97.6Very high95.7Very high11 Ų1180 Ų804%0.04337%0.366CS..Hα-helixtrans-70.3-38.6179.8-65.1-79.3000113.4F378 Y379 A382 P383 T388 F389 V402 V405 F406F378-Y386 HydrophobicContact CB-CE2 4.31Å; F378-Y386 WeakPolarHBondContact CB-OH 3.43Å; F378-Y386 WeakPolarHBondContact O-CE2 3.21Å; Y379-Y386 HydrophobicContact CD2-CD2 4.24Å; Y379-Y386 HydrophobicContact CD2-CG 4.02Å; A382-Y386 HydrophobicContact CB-CE2 4.27Å; A382-Y386 WeakPolarHBondContact O-CD2 3.41Å; A382-Y386 PolarHBondContact O-N 2.68Å; P383-Y386 PolarHBondContact O-N 2.87Å; Y386-T388 VanDerWaalsContact C-N 3.25Å; Y386-T388 PolarHBondContact O-N 3.08Å; Y386-F389 PolarHBondContact O-N 3.48Å; Y386-V402 HydrophobicContact CD1-CG2 4.34Å; Y386-V402 HydrophobicContact CE1-CB 4.45Å; Y386-V402 HydrophobicContact CE1-CG2 4.17Å; Y386-V405 HydrophobicContact CE1-CB 3.72Å; Y386-V405 HydrophobicContact CE1-CG1 3.97Å; Y386-V405 HydrophobicContact CE1-CG2 3.79Å; Y386-F406 HydrophobicContact CD1-CE2 4.35Å
387R97.2Very high95.5Very high179 Ų17979 Ų7968%0.67536%0.36SS*.Hα-helixtrans-65.7-27.7177.5-72.9174.7-173.8-170.4-1.2113.3Y379 P383Y379-R387 PolarHBondContact OH-NE 2.92Å; Y379-R387 PolarHBondContact OH-NH2 2.97Å; P383-R387 WeakPolarHBondContact O-CB 3.36Å; P383-R387 VanDerWaalsContact O-CG 3.24Å; P383-R387 WeakPolarHBondContact O-CG 3.27Å; P383-R387 PolarHBondContact O-N 3.24Å
388T95.6Very high95.5Very high48 Ų4876.8 Ų76.829%0.29435%0.346SS..THydrogen-bonded Turntrans-104.412-179.664.50000112.9K384 A385 Y386 G390 L391 Y392K384-T388 WeakPolarHBondContact O-CB 3.5Å; K384-T388 WeakPolarHBondContact O-CG2 3.14Å; K384-T388 PolarHBondContact O-N 3.4Å; K384-T388 VanDerWaalsContact O-N 3.08Å; K384-T388 PolarHBondContact O-OG1 3.31Å; A385-T388 PolarHBondContact O-N 3.26Å; A385-T388 PolarHBondContact O-OG1 3.46Å; Y386-T388 VanDerWaalsContact C-N 3.25Å; Y386-T388 PolarHBondContact O-N 3.08Å; T388-G390 PolarHBondContact O-N 2.93Å; T388-G390 VanDerWaalsContact O-N 3.15Å; T388-L391 WeakPolarHBondContact O-CB 3.42Å; T388-L391 VanDerWaalsContact O-CG 3.24Å; T388-L391 WeakPolarHBondContact O-CG 3.35Å; T388-L391 PolarHBondContact O-N 2.92Å; T388-Y392 PolarHBondContact OG1-N 3.44Å; T388-Y392 VanDerWaalsContact OG1-N 3.08Å; T388-Y392 PolarHBondContact OG1-O 2.68Å; T388-Y392 VanDerWaalsContact OG1-O 3.11Å
389F94.7Very high95.4Very high133 Ų13379.1 Ų79.158%0.58335%0.354SS*.THydrogen-bonded Turntrans49.140.3-173.5-59.8-85.3000112.4Y215 A385 Y386 L391 F406Y215-F389 VanDerWaalsContact CE2-O 3.27Å; Y215-F389 WeakPolarHBondContact CE2-O 3.05Å; A385-F389 PolarHBondContact O-N 3.31Å; A385-F389 VanDerWaalsContact O-N 3.16Å; Y386-F389 PolarHBondContact O-N 3.48Å; F389-L391 VanDerWaalsContact C-N 3.25Å; F389-L391 PolarHBondContact O-N 3.26Å; F389-F406 HydrophobicContact CD1-CD2 4.32Å; F389-F406 AromaticContact CD1-CE2 3.59Å; F389-F406 HydrophobicContact CD1-CE2 3.59Å; F389-F406 AromaticContact CD1-CZ 3.9Å; F389-F406 HydrophobicContact CD1-CZ 3.9Å; F389-F406 HydrophobicContact CE1-CE1 4.38Å; F389-F406 AromaticContact CE1-CE2 3.93Å; F389-F406 HydrophobicContact CE1-CE2 3.93Å; F389-F406 AromaticContact CE1-CZ 3.78Å; F389-F406 HydrophobicContact CE1-CZ 3.78Å
390G93.7Very high95.3Very high0 Ų075.8 Ų75.80%034%0.342CS..THydrogen-bonded Turntrans719.5178.800000115.5A385 T388 Y392 R399A385-G390 PolarHBondContact O-N 2.93Å; T388-G390 PolarHBondContact O-N 2.93Å; T388-G390 VanDerWaalsContact O-N 3.15Å; G390-Y392 VanDerWaalsContact C-N 3.27Å; G390-Y392 PolarHBondContact O-N 3.04Å; G390-R399 WeakPolarHBondContact O-CG 3.27Å; G390-R399 PolarHBondContact O-NH1 3.44Å
391L90.7Very high95.3Very high122 Ų12266.3 Ų66.364%0.63931%0.306SS*.SBendtrans-63.1-38.7171.5-65.8174.9000111.1T388 F389T388-L391 WeakPolarHBondContact O-CB 3.42Å; T388-L391 VanDerWaalsContact O-CG 3.24Å; T388-L391 WeakPolarHBondContact O-CG 3.35Å; T388-L391 PolarHBondContact O-N 2.92Å; F389-L391 VanDerWaalsContact C-N 3.25Å; F389-L391 PolarHBondContact O-N 3.26Å
392Y93.2Very high95.4Very high124 Ų12460.1 Ų60.149%0.48628%0.283SS..SBendtrans-119121.5171-179.3-88.1000110.3K384 A385 T388 G390 E394K384-Y392 CarbonylContact C-O 3.52Å; K384-Y392 HydrophobicContact CB-CD1 3.87Å; K384-Y392 HydrophobicContact CB-CE1 4.17Å; K384-Y392 HydrophobicContact CD-CD1 4.06Å; K384-Y392 HydrophobicContact CD-CE1 3.56Å; A385-Y392 WeakPolarHBondContact CA-O 3.33Å; A385-Y392 PolarHBondContact N-O 2.96Å; T388-Y392 PolarHBondContact OG1-N 3.44Å; T388-Y392 VanDerWaalsContact OG1-N 3.08Å; T388-Y392 PolarHBondContact OG1-O 2.68Å; T388-Y392 VanDerWaalsContact OG1-O 3.11Å; G390-Y392 VanDerWaalsContact C-N 3.27Å; G390-Y392 PolarHBondContact O-N 3.04Å; Y392-E394 HydrophobicContact CE1-CG 4.34Å
393A94.5Very high95.4Very high15 Ų1560.4 Ų60.412%0.12428%0.284CS..  trans-142.8143.6174.700000109.7A385 R399A385-A393 HydrophobicContact CB-CB 3.91Å; A393-R399 HydrophobicContact CB-CB 3.72Å; A393-R399 HydrophobicContact CB-CG 4.5Å
394E93.9Very high95.4Very high135 Ų13558.1 Ų58.163%0.63127%0.269SS*.SBendtrans-74.5-31-177.8-65.4178-178.900111.8K384 Y392K384-E394 IonicContact NZ-OE1 2.84Å; K384-E394 PolarHBondContact NZ-OE1 3.31Å; Y392-E394 HydrophobicContact CE1-CG 4.34Å
395C93.9Very high95.5Very high47 Ų4753.5 Ų53.532%0.31825%0.25SC..SBendtrans-133.2160.2169.778.50000112.1M397 D398 R399C395-M397 PolarHBondContact O-N 3.05Å; C395-D398 PolarHBondContact O-N 3.39Å; C395-D398 PolarHBondContact SG-N 2.89Å; C395-D398 PolarHBondContact SG-OD2 2.82Å; C395-R399 PolarHBondContact O-N 3.32Å
396E92.5Very high95.5Very high126 Ų12657 Ų5759%0.58926%0.264SS*.Hα-helixtrans-64.6-38.3-178.2-171.8176.3-177.300112.3D398 R399 I400E396-D398 VanDerWaalsContact C-N 3.32Å; E396-D398 PolarHBondContact O-N 3.37Å; E396-R399 WeakPolarHBondContact O-CB 2.95Å; E396-R399 PolarHBondContact O-N 2.86Å; E396-I400 HydrophobicContact CG-CD1 3.78Å; E396-I400 HydrophobicContact CG-CG1 4.24Å; E396-I400 WeakPolarHBondContact O-CB 3.23Å; E396-I400 WeakPolarHBondContact O-CG1 3.21Å; E396-I400 PolarHBondContact O-N 2.85Å
397M94.2Very high95.5Very high60 Ų6056.9 Ų56.930%0.29627%0.265SS..Hα-helixtrans-57.4-46.2176.6-173.8-142.9-63.100111.2C395 R399 I400 M401C395-M397 PolarHBondContact O-N 3.05Å; M397-R399 VanDerWaalsContact C-N 3.27Å; M397-R399 PolarHBondContact O-N 3.49Å; M397-I400 PolarHBondContact O-N 2.85Å; M397-I400 VanDerWaalsContact O-N 3.16Å; M397-M401 HydrophobicContact CG-CG 4.3Å; M397-M401 VanDerWaalsContact O-CG 3.28Å; M397-M401 WeakPolarHBondContact O-CG 3.39Å; M397-M401 PolarHBondContact O-N 3.29Å
398D96.1Very high95.6Very high8 Ų848.4 Ų48.44%0.04323%0.232CC..Hα-helixtrans-63.4-36-178.8-65.4-29.1000111.6R381 A382 A385 C395 E396 V402R381-D398 IonicContact CZ-OD1 3.72Å; R381-D398 IonicContact NE-OD1 2.86Å; R381-D398 PolarHBondContact NE-OD1 2.82Å; R381-D398 IonicContact NH2-OD1 3.72Å; A382-D398 HydrophobicContact CB-CB 3.59Å; A382-D398 VanDerWaalsContact CB-CG 3.44Å; A385-D398 HydrophobicContact CB-CB 4.38Å; C395-D398 PolarHBondContact O-N 3.39Å; C395-D398 PolarHBondContact SG-N 2.89Å; C395-D398 PolarHBondContact SG-OD2 2.82Å; E396-D398 VanDerWaalsContact C-N 3.32Å; E396-D398 PolarHBondContact O-N 3.37Å; D398-V402 WeakPolarHBondContact O-CG2 3.46Å
399R95.9Very high95.7Very high73 Ų7348.4 Ų48.428%0.27523%0.231SC..Hα-helixtrans-63-52.3171.8-172.8179.9-53.6-129.20.7111.1Y215 V219 G390 A393 C395 E396 M397 M401 V402Y215-R399 VanDerWaalsContact OH-CG 3.32Å; Y215-R399 WeakPolarHBondContact OH-CG 3.2Å; Y215-R399 PolarHBondContact OH-O 3.44Å; V219-R399 VanDerWaalsContact CG1-CD 3.42Å; V219-R399 HydrophobicContact CG1-CG 4.26Å; G390-R399 WeakPolarHBondContact O-CG 3.27Å; G390-R399 PolarHBondContact O-NH1 3.44Å; A393-R399 HydrophobicContact CB-CB 3.72Å; A393-R399 HydrophobicContact CB-CG 4.5Å; C395-R399 PolarHBondContact O-N 3.32Å; E396-R399 WeakPolarHBondContact O-CB 2.95Å; E396-R399 PolarHBondContact O-N 2.86Å; M397-R399 VanDerWaalsContact C-N 3.27Å; M397-R399 PolarHBondContact O-N 3.49Å; R399-M401 PolarHBondContact O-N 2.95Å; R399-V402 WeakPolarHBondContact O-CB 3.22Å; R399-V402 WeakPolarHBondContact O-CG2 3.27Å; R399-V402 PolarHBondContact O-N 3.29Å
400I95.5Very high95.9Very high21 Ų2147.1 Ų47.111%0.10823%0.225CC..Hα-helixtrans-58.5-36.3-177.5-76.4176.6000111.8V141 Y185 E396 M397 V402 P403 Y404V141-I400 HydrophobicContact CB-CG2 4.3Å; V141-I400 HydrophobicContact CG1-CG2 3.61Å; V141-I400 HydrophobicContact CG2-CG2 4.03Å; Y185-I400 HydrophobicContact CE1-CD1 3.92Å; Y185-I400 HydrophobicContact CE1-CG1 4Å; Y185-I400 HydrophobicContact CE1-CG2 3.91Å; Y185-I400 WeakPolarHBondContact OH-CG2 3.27Å; E396-I400 HydrophobicContact CG-CD1 3.78Å; E396-I400 HydrophobicContact CG-CG1 4.24Å; E396-I400 WeakPolarHBondContact O-CB 3.23Å; E396-I400 WeakPolarHBondContact O-CG1 3.21Å; E396-I400 PolarHBondContact O-N 2.85Å; M397-I400 PolarHBondContact O-N 2.85Å; M397-I400 VanDerWaalsContact O-N 3.16Å; I400-V402 VanDerWaalsContact C-N 3.34Å; I400-V402 PolarHBondContact O-N 3.39Å; I400-P403 VanDerWaalsContact O-CD 3.32Å; I400-P403 WeakPolarHBondContact O-CD 3.49Å; I400-P403 WeakPolarHBondContact O-CG 3.18Å; I400-Y404 HydrophobicContact CG2-CE2 4.21Å; I400-Y404 WeakPolarHBondContact O-CD2 3.32Å; I400-Y404 WeakPolarHBondContact O-CE2 3.33Å
401M96.6Very high96Very high0 Ų047.4 Ų47.40%023%0.226CC..Hα-helixtrans-74.3-19.4-178.1-70.7-54.6-62.400114.3V141 L142 F378 M397 R399 Y404 V405 I434 W437V141-M401 HydrophobicContact CG1-SD 3.6Å; V141-M401 VanDerWaalsContact CG1-SD 3.6Å; L142-M401 HydrophobicContact CD2-SD 4.21Å; F378-M401 HydrophobicContact CD1-CB 4.38Å; F378-M401 HydrophobicContact CD1-CG 4.5Å; F378-M401 HydrophobicContact CE1-CB 4.4Å; F378-M401 HydrophobicContact CE1-CE 3.88Å; F378-M401 HydrophobicContact CE1-CG 4.04Å; F378-M401 HydrophobicContact CE2-CE 4.16Å; F378-M401 HydrophobicContact CZ-CE 3.66Å; M397-M401 HydrophobicContact CG-CG 4.3Å; M397-M401 VanDerWaalsContact O-CG 3.28Å; M397-M401 WeakPolarHBondContact O-CG 3.39Å; M397-M401 PolarHBondContact O-N 3.29Å; R399-M401 PolarHBondContact O-N 2.95Å; M401-Y404 WeakPolarHBondContact O-CB 3.29Å; M401-Y404 PolarHBondContact O-N 3.03Å; M401-Y404 VanDerWaalsContact O-N 3.15Å; M401-Y404 HydrophobicContact SD-CD2 4.35Å; M401-V405 PolarHBondContact O-N 2.97Å; M401-V405 VanDerWaalsContact O-N 3.13Å; M401-I434 HydrophobicContact CE-CB 4.34Å; M401-I434 HydrophobicContact CE-CD1 3.37Å; M401-I434 HydrophobicContact CE-CG1 3.57Å; M401-W437 HydrophobicContact CE-CE3 4.11Å; M401-W437 HydrophobicContact CE-CZ3 4.44Å; M401-W437 HydrophobicContact SD-CE3 4.26Å; M401-W437 HydrophobicContact SD-CZ3 4.25Å
402V97.7Very high96.3Very high1 Ų141.6 Ų41.61%0.00620%0.196CC..Hα-helixtrans-50-57.4-178.4174.40000113.6Y215 A385 Y386 D398 R399 I400 Y404 V405 F406Y215-V402 HydrophobicContact CE2-CB 4.37Å; Y215-V402 HydrophobicContact CE2-CG1 4.18Å; A385-V402 HydrophobicContact CB-CG2 4.12Å; Y386-V402 HydrophobicContact CD1-CG2 4.34Å; Y386-V402 HydrophobicContact CE1-CB 4.45Å; Y386-V402 HydrophobicContact CE1-CG2 4.17Å; D398-V402 WeakPolarHBondContact O-CG2 3.46Å; R399-V402 WeakPolarHBondContact O-CB 3.22Å; R399-V402 WeakPolarHBondContact O-CG2 3.27Å; R399-V402 PolarHBondContact O-N 3.29Å; I400-V402 VanDerWaalsContact C-N 3.34Å; I400-V402 PolarHBondContact O-N 3.39Å; V402-Y404 VanDerWaalsContact C-N 3.27Å; V402-Y404 PolarHBondContact O-N 3.44Å; V402-V405 PolarHBondContact O-N 2.89Å; V402-F406 HydrophobicContact CG1-CD2 3.58Å; V402-F406 HydrophobicContact CG1-CE2 3.53Å; V402-F406 WeakPolarHBondContact O-CD2 3.38Å; V402-F406 PolarHBondContact O-N 3.02Å; V402-F406 VanDerWaalsContact O-N 3.12Å
403P97.7Very high96.5Very high13 Ų1337.6 Ų37.68%0.08419%0.186CC..Hα-helixtrans-64.1-31.3-178.227.5-39.2000112.6Y212 Y215 I400 F406 H407Y212-P403 HydrophobicContact CD1-CB 3.73Å; Y212-P403 HydrophobicContact CD1-CG 4.11Å; Y212-P403 HydrophobicContact CE1-CB 4.04Å; Y212-P403 HydrophobicContact CE1-CG 4.45Å; Y215-P403 HydrophobicContact CD1-CB 4.03Å; Y215-P403 HydrophobicContact CD1-CG 3.52Å; Y215-P403 HydrophobicContact CD2-CB 4.42Å; Y215-P403 HydrophobicContact CE1-CG 3.76Å; Y215-P403 HydrophobicContact CG-CB 3.95Å; Y215-P403 HydrophobicContact CG-CG 3.97Å; I400-P403 VanDerWaalsContact O-CD 3.32Å; I400-P403 WeakPolarHBondContact O-CD 3.49Å; I400-P403 WeakPolarHBondContact O-CG 3.18Å; P403-F406 PolarHBondContact O-N 3.37Å; P403-H407 WeakPolarHBondContact O-CB 3.41Å; P403-H407 PolarHBondContact O-N 3.43Å
404Y98.1Very high96.5Very high0 Ų041.1 Ų41.10%020%0.197CC..Hα-helixtrans-66.8-41.6178.5-65.7-88.1000112.4L181 Y185 Y212 I400 M401 V402 M408 P433 W437L181-Y404 HydrophobicContact CD1-CE1 3.93Å; Y185-Y404 WeakPolarHBondContact CE2-OH 3.15Å; Y185-Y404 WeakPolarHBondContact OH-CE2 3.26Å; Y185-Y404 PolarHBondContact OH-OH 3.05Å; Y212-Y404 AromaticContact CE1-CD1 3.62Å; Y212-Y404 HydrophobicContact CE1-CD1 3.62Å; Y212-Y404 HydrophobicContact CE1-CD2 4.29Å; Y212-Y404 AromaticContact CE1-CE1 3.96Å; Y212-Y404 HydrophobicContact CE1-CE1 3.96Å; Y212-Y404 AromaticContact CE1-CG 3.82Å; Y212-Y404 HydrophobicContact CE1-CG 3.82Å; Y212-Y404 AromaticContact CZ-CD1 3.97Å; I400-Y404 HydrophobicContact CG2-CE2 4.21Å; I400-Y404 WeakPolarHBondContact O-CD2 3.32Å; I400-Y404 WeakPolarHBondContact O-CE2 3.33Å; M401-Y404 WeakPolarHBondContact O-CB 3.29Å; M401-Y404 PolarHBondContact O-N 3.03Å; M401-Y404 VanDerWaalsContact O-N 3.15Å; M401-Y404 HydrophobicContact SD-CD2 4.35Å; V402-Y404 VanDerWaalsContact C-N 3.27Å; V402-Y404 PolarHBondContact O-N 3.44Å; Y404-M408 VanDerWaalsContact O-CB 3.31Å; Y404-M408 WeakPolarHBondContact O-CB 3.11Å; Y404-M408 PolarHBondContact O-N 2.79Å; Y404-P433 HydrophobicContact CD1-CG 3.9Å; Y404-P433 HydrophobicContact CE1-CG 3.76Å; Y404-W437 HydrophobicContact CD1-CH2 4.24Å; Y404-W437 AromaticContact CD1-CZ3 3.81Å; Y404-W437 HydrophobicContact CD1-CZ3 3.81Å; Y404-W437 HydrophobicContact CD2-CZ3 4.43Å; Y404-W437 AromaticContact CE1-CH2 3.61Å; Y404-W437 HydrophobicContact CE1-CH2 3.61Å; Y404-W437 AromaticContact CE1-CZ3 3.63Å; Y404-W437 HydrophobicContact CE1-CZ3 3.63Å; Y404-W437 HydrophobicContact CE2-CZ3 4.29Å; Y404-W437 HydrophobicContact CG-CZ3 4.2Å; Y404-W437 AromaticContact CZ-CH2 3.82Å; Y404-W437 AromaticContact CZ-CZ3 3.89Å
405V98.3Very high96.4Very high5 Ų534.7 Ų34.73%0.0317%0.167CC..Hα-helixtrans-66.9-46.9176.5175.20000110.5A375 F378 Y386 M401 V402 M408 L409 I434A375-V405 HydrophobicContact CB-CG1 3.93Å; F378-V405 HydrophobicContact CB-CG2 3.85Å; F378-V405 HydrophobicContact CD2-CG2 4.21Å; F378-V405 HydrophobicContact CG-CG2 4.07Å; Y386-V405 HydrophobicContact CE1-CB 3.72Å; Y386-V405 HydrophobicContact CE1-CG1 3.97Å; Y386-V405 HydrophobicContact CE1-CG2 3.79Å; M401-V405 PolarHBondContact O-N 2.97Å; M401-V405 VanDerWaalsContact O-N 3.13Å; V402-V405 PolarHBondContact O-N 2.89Å; V405-M408 PolarHBondContact O-N 2.77Å; V405-L409 WeakPolarHBondContact O-CB 3.35Å; V405-L409 PolarHBondContact O-N 2.97Å; V405-I434 HydrophobicContact CB-CD1 4.41Å; V405-I434 HydrophobicContact CG2-CD1 3.48Å; V405-I434 VanDerWaalsContact CG2-CD1 3.48Å
406F98.2Very high96.4Very high75 Ų7533.9 Ų33.933%0.32916%0.16SC..Hα-helixtrans-64.7-41.3179.2-78.5-56.7000112.5Y386 F389 V402 P403 L409 F410Y386-F406 HydrophobicContact CD1-CE2 4.35Å; F389-F406 HydrophobicContact CD1-CD2 4.32Å; F389-F406 AromaticContact CD1-CE2 3.59Å; F389-F406 HydrophobicContact CD1-CE2 3.59Å; F389-F406 AromaticContact CD1-CZ 3.9Å; F389-F406 HydrophobicContact CD1-CZ 3.9Å; F389-F406 HydrophobicContact CE1-CE1 4.38Å; F389-F406 AromaticContact CE1-CE2 3.93Å; F389-F406 HydrophobicContact CE1-CE2 3.93Å; F389-F406 AromaticContact CE1-CZ 3.78Å; F389-F406 HydrophobicContact CE1-CZ 3.78Å; V402-F406 HydrophobicContact CG1-CD2 3.58Å; V402-F406 HydrophobicContact CG1-CE2 3.53Å; V402-F406 WeakPolarHBondContact O-CD2 3.38Å; V402-F406 PolarHBondContact O-N 3.02Å; V402-F406 VanDerWaalsContact O-N 3.12Å; P403-F406 PolarHBondContact O-N 3.37Å; F406-L409 PolarHBondContact O-N 3.25Å; F406-F410 VanDerWaalsContact O-CB 3.23Å; F406-F410 WeakPolarHBondContact O-CB 3.42Å; F406-F410 PolarHBondContact O-N 3.06Å
407H98.3Very high96.3Very high10 Ų1030.4 Ų30.45%0.04615%0.146CC..Hα-helixtrans-60.1-49.3175.5-179.8-77000111.6L208 N209 Y212 P403 F410 L411L208-H407 VanDerWaalsContact CD2-CD2 3.4Å; L208-H407 WeakPolarHBondContact CD2-CD2 3.38Å; L208-H407 WeakPolarHBondContact CG-CD2 3.36Å; N209-H407 PolarHBondContact OD1-NE2 3.16Å; Y212-H407 HydrophobicContact CE1-CB 4.24Å; Y212-H407 HydrophobicContact CE2-CB 4.21Å; Y212-H407 AromaticContact CE2-CD2 3.22Å; Y212-H407 WeakPolarHBondContact CE2-CD2 3.41Å; Y212-H407 AromaticContact CE2-CG 3.66Å; Y212-H407 AromaticContact CE2-NE2 3.56Å; Y212-H407 AromaticContact CZ-CD2 3.62Å; Y212-H407 AromaticContact CZ-CG 3.53Å; Y212-H407 VanDerWaalsContact OH-CB 3.28Å; Y212-H407 WeakPolarHBondContact OH-CB 3.28Å; Y212-H407 PolarHBondContact OH-ND1 3.46Å; P403-H407 WeakPolarHBondContact O-CB 3.41Å; P403-H407 PolarHBondContact O-N 3.43Å; H407-F410 PolarHBondContact O-N 2.96Å; H407-L411 WeakPolarHBondContact CE1-CD1 3.47Å; H407-L411 PolarHBondContact O-N 3.14Å
408M98.5Very high96Very high0 Ų029.9 Ų29.90%014%0.142CC..Hα-helixtrans-62.5-45.4177.1179.4-1676700112.1C371 C374 A375 Y404 V405 F410 L411 C412 C432 I434 I435C371-M408 HydrophobicContact CB-CE 4.34Å; C371-M408 HydrophobicContact CB-CG 4.27Å; C371-M408 HydrophobicContact CB-SD 4.16Å; C371-M408 WeakPolarHBondContact O-CE 3.48Å; C374-M408 HydrophobicContact CB-CE 3.93Å; C374-M408 HydrophobicContact CB-SD 4.38Å; A375-M408 HydrophobicContact CB-CE 4.19Å; Y404-M408 VanDerWaalsContact O-CB 3.31Å; Y404-M408 WeakPolarHBondContact O-CB 3.11Å; Y404-M408 PolarHBondContact O-N 2.79Å; V405-M408 PolarHBondContact O-N 2.77Å; M408-F410 VanDerWaalsContact C-N 3.35Å; M408-L411 PolarHBondContact O-N 3.32Å; M408-C412 VanDerWaalsContact O-CB 3.26Å; M408-C412 WeakPolarHBondContact O-CB 3.35Å; M408-C412 PolarHBondContact O-N 3.44Å; M408-C432 HydrophobicContact CB-CB 4.26Å; M408-C432 HydrophobicContact CG-CB 4.27Å; M408-I434 HydrophobicContact CB-CG2 3.93Å; M408-I434 HydrophobicContact CG-CG2 4.24Å; M408-I434 HydrophobicContact SD-CG2 3.72Å; M408-I435 HydrophobicContact SD-CD1 4Å
409L97.8Very high95.6Very high49 Ų4930.9 Ų30.926%0.25715%0.148SC..Hα-helixtrans-66-38.2-179.4-17664.5000112F372 A375 V405 F406 S413F372-L409 HydrophobicContact CD1-CD1 3.99Å; F372-L409 HydrophobicContact CE1-CD1 3.66Å; F372-L409 HydrophobicContact CZ-CD1 4.35Å; A375-L409 HydrophobicContact CB-CD1 4.46Å; V405-L409 WeakPolarHBondContact O-CB 3.35Å; V405-L409 PolarHBondContact O-N 2.97Å; F406-L409 PolarHBondContact O-N 3.25Å; L409-S413 VanDerWaalsContact O-CB 3.27Å; L409-S413 WeakPolarHBondContact O-CB 3.43Å; L409-S413 PolarHBondContact O-N 3.16Å; L409-S413 PolarHBondContact O-OG 3.2Å
410F97.8Very high95.2Very high106 Ų10628.6 Ų28.647%0.46514%0.141SC..Hα-helixtrans-63.4-51.7174.3175.1-91.1000110.8L208 F406 H407 M408 C412 S413 Y414L208-F410 HydrophobicContact CD1-CD1 3.72Å; L208-F410 HydrophobicContact CD1-CE1 3.88Å; L208-F410 HydrophobicContact CD1-CG 4.35Å; L208-F410 HydrophobicContact CD2-CD1 3.45Å; L208-F410 VanDerWaalsContact CD2-CD1 3.45Å; L208-F410 HydrophobicContact CD2-CE1 4.07Å; L208-F410 HydrophobicContact CD2-CG 4.35Å; L208-F410 HydrophobicContact CG-CD1 4.25Å; F406-F410 VanDerWaalsContact O-CB 3.23Å; F406-F410 WeakPolarHBondContact O-CB 3.42Å; F406-F410 PolarHBondContact O-N 3.06Å; H407-F410 PolarHBondContact O-N 2.96Å; M408-F410 VanDerWaalsContact C-N 3.35Å; F410-C412 VanDerWaalsContact C-N 3.3Å; F410-C412 PolarHBondContact O-N 3.06Å; F410-S413 PolarHBondContact O-N 3.17Å; F410-Y414 HydrophobicContact CZ-CD2 4.48Å; F410-Y414 WeakPolarHBondContact O-CB 3.45Å; F410-Y414 PolarHBondContact O-N 3.05Å
411L97.4Very high94.7Very high5 Ų527.6 Ų27.63%0.02614%0.136CC..Hα-helixtrans-61.3-39.5178.4-73178.7000112.2N205 L208 H407 M408 G415 M427 I428N205-L411 HydrophobicContact CB-CD2 4.32Å; L208-L411 HydrophobicContact CD2-CD1 4.09Å; L208-L411 HydrophobicContact CD2-CD2 3.69Å; L208-L411 HydrophobicContact CD2-CG 3.52Å; H407-L411 WeakPolarHBondContact CE1-CD1 3.47Å; H407-L411 PolarHBondContact O-N 3.14Å; M408-L411 PolarHBondContact O-N 3.32Å; L411-G415 WeakPolarHBondContact O-CA 2.94Å; L411-G415 PolarHBondContact O-N 3.02Å; L411-M427 HydrophobicContact CB-CE 4.25Å; L411-M427 HydrophobicContact CD2-CE 4.43Å; L411-M427 HydrophobicContact CD2-SD 4.13Å; L411-M427 VanDerWaalsContact O-CE 3.25Å; L411-M427 WeakPolarHBondContact O-CE 3.27Å; L411-I428 HydrophobicContact CB-CD1 3.89Å
412C97.3Very high94.2Very high0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-62.4-55.6176.2-169.80000111.2C371 M408 F410 Y414 G415 V416 I428C371-C412 HydrophobicContact CB-CB 4.05Å; M408-C412 VanDerWaalsContact O-CB 3.26Å; M408-C412 WeakPolarHBondContact O-CB 3.35Å; M408-C412 PolarHBondContact O-N 3.44Å; F410-C412 VanDerWaalsContact C-N 3.3Å; F410-C412 PolarHBondContact O-N 3.06Å; C412-Y414 PolarHBondContact O-N 2.84Å; C412-G415 PolarHBondContact O-N 3.14Å; C412-V416 VanDerWaalsContact O-CG2 3.32Å; C412-V416 WeakPolarHBondContact O-CG2 3.12Å; C412-V416 PolarHBondContact O-N 2.79Å; C412-I428 HydrophobicContact CB-CD1 4.29Å
413S96.2Very high93.9Very high40 Ų4030.4 Ų30.428%0.2815%0.151SC..Hα-helixtrans-62.7-45.5-179-55.90000111.8L409 F410 V416 L417L409-S413 VanDerWaalsContact O-CB 3.27Å; L409-S413 WeakPolarHBondContact O-CB 3.43Å; L409-S413 PolarHBondContact O-N 3.16Å; L409-S413 PolarHBondContact O-OG 3.2Å; F410-S413 PolarHBondContact O-N 3.17Å; S413-V416 PolarHBondContact O-N 2.88Å; S413-L417 WeakPolarHBondContact O-CB 3.39Å; S413-L417 WeakPolarHBondContact O-CD1 3.33Å; S413-L417 WeakPolarHBondContact O-CG 3.42Å; S413-L417 PolarHBondContact O-N 3.04Å
414Y94.4Very high93.7Very high89 Ų8929.9 Ų29.935%0.34915%0.148SC..Hα-helixtrans-62.5-45.1177.8-175.3-100.2000111.2F410 C412 V416 L417 H418 I419F410-Y414 HydrophobicContact CZ-CD2 4.48Å; F410-Y414 WeakPolarHBondContact O-CB 3.45Å; F410-Y414 PolarHBondContact O-N 3.05Å; C412-Y414 PolarHBondContact O-N 2.84Å; Y414-V416 PolarHBondContact O-N 3.27Å; Y414-L417 PolarHBondContact O-N 3.22Å; Y414-H418 HydrophobicContact CD2-CB 4.14Å; Y414-H418 AromaticContact CD2-CG 3.8Å; Y414-H418 AromaticContact CD2-ND1 3.55Å; Y414-H418 HydrophobicContact CE1-CB 4.2Å; Y414-H418 HydrophobicContact CE2-CB 3.78Å; Y414-H418 AromaticContact CE2-CD2 3.87Å; Y414-H418 AromaticContact CE2-CG 3.54Å; Y414-H418 AromaticContact CE2-ND1 3.76Å; Y414-H418 HydrophobicContact CG-CB 4.5Å; Y414-H418 WeakPolarHBondContact O-CB 2.97Å; Y414-H418 PolarHBondContact O-N 3.49Å; Y414-I419 HydrophobicContact CD1-CD1 3.77Å; Y414-I419 HydrophobicContact CD1-CG1 4.1Å; Y414-I419 HydrophobicContact CE1-CD1 3.69Å; Y414-I419 HydrophobicContact CE1-CG1 3.83Å
415G92.8Very high93.6Very high1 Ų129.9 Ų29.91%0.0115%0.148CC..Hα-helixtrans-64.3-37178.500000113.5L411 C412 I419L411-G415 WeakPolarHBondContact O-CA 2.94Å; L411-G415 PolarHBondContact O-N 3.02Å; C412-G415 PolarHBondContact O-N 3.14Å; G415-I419 PolarHBondContact O-N 3.32Å
416V93Very high93.4Very high29 Ų2930.9 Ų30.918%0.17615%0.151CC..Hα-helixtrans-68.2-36.9174.4169.70000111.8Y353 V368 C412 S413 Y414 V421 L424Y353-V416 WeakPolarHBondContact CE2-O 3.35Å; Y353-V416 VanDerWaalsContact OH-CG1 3.28Å; Y353-V416 WeakPolarHBondContact OH-CG1 2.89Å; Y353-V416 PolarHBondContact OH-O 2.86Å; V368-V416 HydrophobicContact CG1-CG2 4.3Å; V368-V416 HydrophobicContact CG2-CG2 3.85Å; C412-V416 VanDerWaalsContact O-CG2 3.32Å; C412-V416 WeakPolarHBondContact O-CG2 3.12Å; C412-V416 PolarHBondContact O-N 2.79Å; S413-V416 PolarHBondContact O-N 2.88Å; Y414-V416 PolarHBondContact O-N 3.27Å; V416-V421 HydrophobicContact CG2-CG2 4.33Å; V416-L424 HydrophobicContact CG2-CD2 3.82Å
417L91.2Very high93.3Very high54 Ų5427.9 Ų27.928%0.28314%0.138SC..Hα-helixtrans-92.6-31.3-170.3-66.4173.9000114.4L349 W350 S413 Y414L349-L417 HydrophobicContact CD1-CB 4.13Å; W350-L417 HydrophobicContact CE3-CD2 4.34Å; W350-L417 HydrophobicContact CH2-CD2 3.21Å; W350-L417 HydrophobicContact CZ2-CD2 3.7Å; W350-L417 HydrophobicContact CZ3-CD2 3.58Å; W350-L417 PolarHBondContact N-O 3.29Å; S413-L417 WeakPolarHBondContact O-CB 3.39Å; S413-L417 WeakPolarHBondContact O-CD1 3.33Å; S413-L417 WeakPolarHBondContact O-CG 3.42Å; S413-L417 PolarHBondContact O-N 3.04Å; Y414-L417 PolarHBondContact O-N 3.22Å
418H88.3Confident93.3Very high48 Ų4827.4 Ų27.422%0.22214%0.136CC..Hα-helixtrans-122.1-23-167.3-62.376.6000114.7V347 G348 L349 Y414V347-H418 WeakPolarHBondContact CA-O 3.15Å; V347-H418 WeakPolarHBondContact CG1-O 3.47Å; G348-H418 PolarHBondContact N-O 3.22Å; G348-H418 WeakPolarHBondContact O-CA 3.45Å; L349-H418 VanDerWaalsContact CD1-CE1 3.45Å; L349-H418 WeakPolarHBondContact CD1-CE1 3.34Å; Y414-H418 HydrophobicContact CD2-CB 4.14Å; Y414-H418 AromaticContact CD2-CG 3.8Å; Y414-H418 AromaticContact CD2-ND1 3.55Å; Y414-H418 HydrophobicContact CE1-CB 4.2Å; Y414-H418 HydrophobicContact CE2-CB 3.78Å; Y414-H418 AromaticContact CE2-CD2 3.87Å; Y414-H418 AromaticContact CE2-CG 3.54Å; Y414-H418 AromaticContact CE2-ND1 3.76Å; Y414-H418 HydrophobicContact CG-CB 4.5Å; Y414-H418 WeakPolarHBondContact O-CB 2.97Å; Y414-H418 PolarHBondContact O-N 3.49Å
419I87.5Confident93.3Very high30 Ų3027.4 Ų27.415%0.15414%0.136CC..SBendtrans-112.1156.8-174.7-51.9177.9000108.9Y414 G415 V421 M427Y414-I419 HydrophobicContact CD1-CD1 3.77Å; Y414-I419 HydrophobicContact CD1-CG1 4.1Å; Y414-I419 HydrophobicContact CE1-CD1 3.69Å; Y414-I419 HydrophobicContact CE1-CG1 3.83Å; G415-I419 PolarHBondContact O-N 3.32Å; I419-V421 PolarHBondContact O-N 3.44Å; I419-M427 HydrophobicContact CD1-CE 4.18Å; I419-M427 HydrophobicContact CD1-SD 4.14Å
420N86.1Confident93.3Very high24 Ų2425.1 Ų25.113%0.12812%0.123CC..  trans-44.1103.7158-69.9-13.3000111.3Y352 Q422 V423Y352-N420 WeakPolarHBondContact CD2-OD1 3.36Å; Y352-N420 HydrophobicContact CE2-CB 4.4Å; Y352-N420 WeakPolarHBondContact CE2-OD1 3.06Å; N420-Q422 PolarHBondContact O-N 3.21Å; N420-V423 HydrophobicContact CB-CG2 4.15Å; N420-V423 WeakPolarHBondContact O-CB 3.37Å; N420-V423 PolarHBondContact O-N 2.87Å
421V86.1Confident93.3Very high1 Ų120 Ų201%0.00610%0.101CC..G310 helixtrans-59-27.3-168.277.10000113.1Y352 N360 F361 S364 V416 I419 V423 L424Y352-V421 HydrophobicContact CD1-CG1 4.49Å; Y352-V421 HydrophobicContact CE1-CG1 4Å; N360-V421 HydrophobicContact CB-CG1 4.35Å; F361-V421 HydrophobicContact CB-CG1 4.38Å; F361-V421 HydrophobicContact CD1-CB 4.1Å; F361-V421 HydrophobicContact CD1-CG1 3.74Å; F361-V421 HydrophobicContact CD1-CG2 3.91Å; F361-V421 HydrophobicContact CD2-CG1 4.06Å; F361-V421 HydrophobicContact CE1-CB 3.93Å; F361-V421 HydrophobicContact CE1-CG1 3.93Å; F361-V421 HydrophobicContact CE1-CG2 3.95Å; F361-V421 HydrophobicContact CE2-CG1 4.22Å; F361-V421 HydrophobicContact CG-CG1 3.81Å; F361-V421 HydrophobicContact CZ-CB 4.32Å; F361-V421 HydrophobicContact CZ-CG1 4.16Å; S364-V421 WeakPolarHBondContact CB-O 3.39Å; S364-V421 VanDerWaalsContact OG-CG2 3.25Å; S364-V421 WeakPolarHBondContact OG-CG2 3.12Å; V416-V421 HydrophobicContact CG2-CG2 4.33Å; I419-V421 PolarHBondContact O-N 3.44Å; V421-V423 PolarHBondContact O-N 3Å; V421-L424 WeakPolarHBondContact O-CB 3.34Å; V421-L424 PolarHBondContact O-N 3.45Å
422Q85.6Confident93.3Very high27 Ų2719.8 Ų19.813%0.12610%0.1CC..G310 helixtrans-62-31.8179.471.4-88.224.200112Y352 N360 N420 L424 T516Y352-Q422 VanDerWaalsContact CE1-OE1 3.27Å; Y352-Q422 VanDerWaalsContact OH-CD 3.24Å; Y352-Q422 PolarHBondContact OH-NE2 3.27Å; Y352-Q422 VanDerWaalsContact OH-NE2 3.13Å; Y352-Q422 PolarHBondContact OH-OE1 3.2Å; N360-Q422 HydrophobicContact CB-CB 4.06Å; N420-Q422 PolarHBondContact O-N 3.21Å; Q422-L424 PolarHBondContact O-N 2.88Å; Q422-L424 VanDerWaalsContact O-N 3.13Å; Q422-T516 HydrophobicContact CB-CG2 3.55Å; Q422-T516 VanDerWaalsContact CB-OG1 3.28Å; Q422-T516 WeakPolarHBondContact CB-OG1 3.5Å; Q422-T516 HydrophobicContact CG-CG2 3.29Å; Q422-T516 CarbonylContact O-C 3.45Å; Q422-T516 WeakPolarHBondContact O-CB 3.3Å; Q422-T516 PolarHBondContact O-OG1 3.43Å; Q422-T516 VanDerWaalsContact O-OG1 3.11Å
423V90.7Very high93.3Very high33 Ų3319.8 Ų19.820%0.210%0.1CC..G310 helixtrans-70-10.9177.7-175.40000112.5N420 V421 T425 R426 M427N420-V423 HydrophobicContact CB-CG2 4.15Å; N420-V423 WeakPolarHBondContact O-CB 3.37Å; N420-V423 PolarHBondContact O-N 2.87Å; V421-V423 PolarHBondContact O-N 3Å; V423-T425 PolarHBondContact O-N 3.05Å; V423-R426 VanDerWaalsContact CG1-NH2 3.35Å; V423-R426 PolarHBondContact O-N 3.44Å; V423-M427 WeakPolarHBondContact O-CB 3.21Å; V423-M427 PolarHBondContact O-N 3.16Å
424L94.2Very high93.4Very high2 Ų217.9 Ų17.91%0.019%0.087CC..Hα-helixtrans-65.9-36.7-172.4-173.858.4000113.1V367 V368 V416 V421 Q422 M427 I428V367-L424 HydrophobicContact CG1-CD2 4.45Å; V367-L424 HydrophobicContact CG1-CG 4.17Å; V368-L424 HydrophobicContact CG2-CD2 3.4Å; V368-L424 VanDerWaalsContact CG2-CD2 3.4Å; V416-L424 HydrophobicContact CG2-CD2 3.82Å; V421-L424 WeakPolarHBondContact O-CB 3.34Å; V421-L424 PolarHBondContact O-N 3.45Å; Q422-L424 PolarHBondContact O-N 2.88Å; Q422-L424 VanDerWaalsContact O-N 3.13Å; L424-M427 HydrophobicContact CD1-CE 3.5Å; L424-M427 PolarHBondContact O-N 3.25Å; L424-I428 HydrophobicContact CD1-CD1 4.01Å; L424-I428 HydrophobicContact CD1-CG1 3.63Å; L424-I428 HydrophobicContact CG-CG1 4.02Å; L424-I428 WeakPolarHBondContact O-CB 3.49Å; L424-I428 WeakPolarHBondContact O-CG1 3.31Å; L424-I428 PolarHBondContact O-N 3.41Å
425T95.3Very high93.6Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-56.7-54.8175.7-57.50000109.9P159 A160 V423 M427 I428 F429P159-T425 HydrophobicContact CB-CG2 3.8Å; A160-T425 HydrophobicContact CB-CG2 4.46Å; V423-T425 PolarHBondContact O-N 3.05Å; T425-M427 VanDerWaalsContact C-N 3.34Å; T425-M427 PolarHBondContact O-N 2.7Å; T425-I428 PolarHBondContact O-N 3.24Å; T425-F429 HydrophobicContact CG2-CD2 3.84Å; T425-F429 HydrophobicContact CG2-CE2 4.02Å; T425-F429 VanDerWaalsContact O-CD2 3.26Å; T425-F429 WeakPolarHBondContact O-CD2 3.06Å; T425-F429 PolarHBondContact O-N 3.26Å; T425-F429 VanDerWaalsContact O-N 3.13Å
426R95.4Very high93.8Very high26 Ų2613.6 Ų13.610%0.0987%0.07CC..Hα-helixtrans-55.8-45.4174.9-173.5178.878.3162.6-5.5112.6D66 F163 E170 V423 S430D66-R426 IonicContact OD2-CZ 3.34Å; D66-R426 IonicContact OD2-NH1 3.75Å; D66-R426 PolarHBondContact OD2-NH1 2.82Å; D66-R426 IonicContact OD2-NH2 2.7Å; F163-R426 HydrophobicContact CB-CG 4.04Å; F163-R426 HydrophobicContact CD1-CG 4.28Å; F163-R426 HydrophobicContact CD2-CB 3.95Å; F163-R426 HydrophobicContact CD2-CG 3.73Å; F163-R426 HydrophobicContact CE2-CB 4.11Å; F163-R426 HydrophobicContact CE2-CG 4.27Å; F163-R426 HydrophobicContact CG-CB 4.44Å; F163-R426 HydrophobicContact CG-CG 3.74Å; E170-R426 HydrophobicContact CG-CG 3.87Å; E170-R426 WeakPolarHBondContact OE1-CD 3.24Å; E170-R426 WeakPolarHBondContact OE1-CG 3.48Å; E170-R426 IonicContact OE1-CZ 3.46Å; E170-R426 IonicContact OE1-NE 3.64Å; E170-R426 PolarHBondContact OE1-NE 3.46Å; E170-R426 VanDerWaalsContact OE1-NE 3.16Å; E170-R426 IonicContact OE1-NH1 3.56Å; V423-R426 VanDerWaalsContact CG1-NH2 3.35Å; V423-R426 PolarHBondContact O-N 3.44Å; R426-S430 WeakPolarHBondContact O-CB 3.38Å; R426-S430 PolarHBondContact O-N 2.78Å; R426-S430 PolarHBondContact O-OG 3.29Å
427M95.8Very high94Very high12 Ų1212.3 Ų12.36%0.0596%0.062CC..Hα-helixtrans-66.1-46.3-177.6-174.116966.800112.7L411 I419 V423 L424 T425 S430 S431L411-M427 HydrophobicContact CB-CE 4.25Å; L411-M427 HydrophobicContact CD2-CE 4.43Å; L411-M427 HydrophobicContact CD2-SD 4.13Å; L411-M427 VanDerWaalsContact O-CE 3.25Å; L411-M427 WeakPolarHBondContact O-CE 3.27Å; I419-M427 HydrophobicContact CD1-CE 4.18Å; I419-M427 HydrophobicContact CD1-SD 4.14Å; V423-M427 WeakPolarHBondContact O-CB 3.21Å; V423-M427 PolarHBondContact O-N 3.16Å; L424-M427 HydrophobicContact CD1-CE 3.5Å; L424-M427 PolarHBondContact O-N 3.25Å; T425-M427 VanDerWaalsContact C-N 3.34Å; T425-M427 PolarHBondContact O-N 2.7Å; M427-S430 PolarHBondContact O-OG 3.39Å; M427-S431 VanDerWaalsContact O-CB 3.23Å; M427-S431 WeakPolarHBondContact O-CB 3.28Å; M427-S431 PolarHBondContact O-N 3.36Å; M427-S431 VanDerWaalsContact O-N 3.17Å; M427-S431 PolarHBondContact O-OG 3.07Å
428I97.8Very high94.3Very high0 Ų010.3 Ų10.30%05%0.05CC..Hα-helixtrans-67.5-49.2-178.4-66.9-63.4000110.8V367 L411 C412 L424 T425 S430 S431 C432 I435V367-I428 HydrophobicContact CG2-CB 3.8Å; V367-I428 HydrophobicContact CG2-CG1 4.06Å; V367-I428 HydrophobicContact CG2-CG2 3.76Å; L411-I428 HydrophobicContact CB-CD1 3.89Å; C412-I428 HydrophobicContact CB-CD1 4.29Å; L424-I428 HydrophobicContact CD1-CD1 4.01Å; L424-I428 HydrophobicContact CD1-CG1 3.63Å; L424-I428 HydrophobicContact CG-CG1 4.02Å; L424-I428 WeakPolarHBondContact O-CB 3.49Å; L424-I428 WeakPolarHBondContact O-CG1 3.31Å; L424-I428 PolarHBondContact O-N 3.41Å; T425-I428 PolarHBondContact O-N 3.24Å; I428-S430 VanDerWaalsContact C-N 3.25Å; I428-S430 PolarHBondContact O-N 3.19Å; I428-S431 PolarHBondContact O-N 3.37Å; I428-S431 VanDerWaalsContact O-N 3.13Å; I428-C432 HydrophobicContact CG2-CB 4.21Å; I428-C432 WeakPolarHBondContact O-CB 3.4Å; I428-C432 PolarHBondContact O-N 3.49Å; I428-I435 HydrophobicContact CG2-CB 4.42Å; I428-I435 HydrophobicContact CG2-CG1 4.29Å; I428-I435 HydrophobicContact CG2-CG2 4.5Å
429F97.9Very high94.7Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-66.4-27-177-80.1-66000113.4N158 P159 A160 F164 V367 T425 I435 Y436 Y497 F498N158-F429 HydrophobicContact CB-CD1 4.06Å; N158-F429 HydrophobicContact CB-CE1 4.45Å; N158-F429 HydrophobicContact CB-CG 4.43Å; P159-F429 HydrophobicContact CB-CD2 4.14Å; P159-F429 HydrophobicContact CB-CE2 3.73Å; P159-F429 HydrophobicContact CB-CZ 4.31Å; P159-F429 VanDerWaalsContact CD-CZ 3.43Å; P159-F429 HydrophobicContact CG-CD2 4.21Å; P159-F429 HydrophobicContact CG-CE1 4.36Å; P159-F429 HydrophobicContact CG-CE2 3.43Å; P159-F429 VanDerWaalsContact CG-CE2 3.43Å; P159-F429 HydrophobicContact CG-CZ 3.51Å; A160-F429 HydrophobicContact CB-CB 3.97Å; A160-F429 HydrophobicContact CB-CD2 4.38Å; F164-F429 HydrophobicContact CE2-CB 4.47Å; V367-F429 HydrophobicContact CG2-CE2 4.11Å; T425-F429 HydrophobicContact CG2-CD2 3.84Å; T425-F429 HydrophobicContact CG2-CE2 4.02Å; T425-F429 VanDerWaalsContact O-CD2 3.26Å; T425-F429 WeakPolarHBondContact O-CD2 3.06Å; T425-F429 PolarHBondContact O-N 3.26Å; T425-F429 VanDerWaalsContact O-N 3.13Å; F429-I435 HydrophobicContact CD1-CG2 3.73Å; F429-I435 HydrophobicContact CE1-CG1 4.35Å; F429-I435 HydrophobicContact CE1-CG2 3.74Å; F429-Y436 WeakPolarHBondContact CB-OH 3.37Å; F429-Y436 HydrophobicContact CD1-CD1 4.39Å; F429-Y436 AromaticContact CD1-CE1 3.48Å; F429-Y436 HydrophobicContact CD1-CE1 3.48Å; F429-Y436 VanDerWaalsContact CD1-CE1 3.48Å; F429-Y436 HydrophobicContact CD1-CE2 4.45Å; F429-Y436 AromaticContact CD1-CZ 3.53Å; F429-Y436 WeakPolarHBondContact CD1-OH 3.5Å; F429-Y436 HydrophobicContact CE1-CD1 4.46Å; F429-Y436 AromaticContact CE1-CE1 3.88Å; F429-Y436 HydrophobicContact CE1-CE1 3.88Å; F429-Y436 WeakPolarHBondContact O-CE2 3.34Å; F429-Y436 PolarHBondContact O-OH 3.44Å; F429-Y497 HydrophobicContact CE2-CE1 4.15Å; F429-Y497 HydrophobicContact CZ-CE1 4Å; F429-F498 AromaticContact CE1-CE1 3.91Å; F429-F498 HydrophobicContact CE1-CE1 3.91Å; F429-F498 HydrophobicContact CE1-CE2 4.29Å; F429-F498 AromaticContact CE1-CZ 3.57Å; F429-F498 HydrophobicContact CE1-CZ 3.57Å; F429-F498 HydrophobicContact CZ-CE1 4.42Å; F429-F498 HydrophobicContact CZ-CE2 4.14Å; F429-F498 AromaticContact CZ-CZ 3.88Å; F429-F498 HydrophobicContact CZ-CZ 3.88Å
430S97.5Very high95Very high0 Ų06.6 Ų6.60%03%0.033CC..Hα-helixtrans-87.8-9.717562.70000114.8F173 F174 R426 M427 I428F173-S430 WeakPolarHBondContact CD1-O 3.39Å; F173-S430 WeakPolarHBondContact CE1-O 3.39Å; F174-S430 VanDerWaalsContact CD2-O 3.29Å; F174-S430 WeakPolarHBondContact CD2-O 3.43Å; R426-S430 WeakPolarHBondContact O-CB 3.38Å; R426-S430 PolarHBondContact O-N 2.78Å; R426-S430 PolarHBondContact O-OG 3.29Å; M427-S430 PolarHBondContact O-OG 3.39Å; I428-S430 VanDerWaalsContact C-N 3.25Å; I428-S430 PolarHBondContact O-N 3.19Å
431S97.8Very high95.4Very high0 Ų011.2 Ų11.20%05%0.049CC..Hα-helixtrans-120.4-24.9-175.3-45.40000114.8F173 N205 M427 I428 P433F173-S431 WeakPolarHBondContact CE1-OG 3.34Å; N205-S431 PolarHBondContact ND2-OG 3.09Å; M427-S431 VanDerWaalsContact O-CB 3.23Å; M427-S431 WeakPolarHBondContact O-CB 3.28Å; M427-S431 PolarHBondContact O-N 3.36Å; M427-S431 VanDerWaalsContact O-N 3.17Å; M427-S431 PolarHBondContact O-OG 3.07Å; I428-S431 PolarHBondContact O-N 3.37Å; I428-S431 VanDerWaalsContact O-N 3.13Å; S431-P433 WeakPolarHBondContact O-CD 3.47Å
432C98.1Very high95.6Very high0 Ų012 Ų120%05%0.053CC..  trans-12092.3-164.7-630000111.6M408 I428 I434 I435M408-C432 HydrophobicContact CB-CB 4.26Å; M408-C432 HydrophobicContact CG-CB 4.27Å; I428-C432 HydrophobicContact CG2-CB 4.21Å; I428-C432 WeakPolarHBondContact O-CB 3.4Å; I428-C432 PolarHBondContact O-N 3.49Å; C432-I434 HydrophobicContact CB-CG2 4.18Å; C432-I434 PolarHBondContact O-N 3.02Å; C432-I435 VanDerWaalsContact O-CG2 3.26Å; C432-I435 WeakPolarHBondContact O-CG2 3.36Å; C432-I435 PolarHBondContact O-N 3.13Å
433P97.9Very high95.9Very high0 Ų010.8 Ų10.80%05%0.047CC..THydrogen-bonded Turntrans-61.9-27.9179.523.5-33.2000113.9L134 I178 L181 Y404 S431 I435 Y436 W437L134-P433 HydrophobicContact CD1-CB 3.74Å; I178-P433 HydrophobicContact CD1-CB 3.55Å; I178-P433 HydrophobicContact CD1-CG 3.94Å; L181-P433 HydrophobicContact CD1-CG 4.18Å; Y404-P433 HydrophobicContact CD1-CG 3.9Å; Y404-P433 HydrophobicContact CE1-CG 3.76Å; S431-P433 WeakPolarHBondContact O-CD 3.47Å; P433-I435 PolarHBondContact O-N 2.86Å; P433-I435 VanDerWaalsContact O-N 3.14Å; P433-Y436 WeakPolarHBondContact O-CB 3.45Å; P433-Y436 PolarHBondContact O-N 3.31Å; P433-Y436 VanDerWaalsContact O-N 3.09Å; P433-W437 HydrophobicContact CB-CH2 4.09Å; P433-W437 HydrophobicContact CB-CZ2 3.92Å; P433-W437 HydrophobicContact CG-CH2 4.11Å; P433-W437 HydrophobicContact CG-CZ2 4.43Å; P433-W437 HydrophobicContact CG-CZ3 4.45Å; P433-W437 PolarHBondContact O-N 3.32Å
434I98Very high95.7Very high0 Ų010.9 Ų10.90%05%0.049CC..Hα-helixtrans-54.5-31.2178-174.8170000113.5F378 M401 V405 M408 C432 Y436 W437 Y438F378-I434 HydrophobicContact CD2-CD1 4.1Å; F378-I434 HydrophobicContact CE2-CD1 3.97Å; F378-I434 HydrophobicContact CE2-CG1 4.13Å; M401-I434 HydrophobicContact CE-CB 4.34Å; M401-I434 HydrophobicContact CE-CD1 3.37Å; M401-I434 HydrophobicContact CE-CG1 3.57Å; V405-I434 HydrophobicContact CB-CD1 4.41Å; V405-I434 HydrophobicContact CG2-CD1 3.48Å; V405-I434 VanDerWaalsContact CG2-CD1 3.48Å; M408-I434 HydrophobicContact CB-CG2 3.93Å; M408-I434 HydrophobicContact CG-CG2 4.24Å; M408-I434 HydrophobicContact SD-CG2 3.72Å; C432-I434 HydrophobicContact CB-CG2 4.18Å; C432-I434 PolarHBondContact O-N 3.02Å; I434-Y436 VanDerWaalsContact C-N 3.29Å; I434-Y436 PolarHBondContact O-N 3.35Å; I434-W437 HydrophobicContact CB-CE3 4.31Å; I434-W437 PolarHBondContact O-N 3.47Å; I434-Y438 VanDerWaalsContact O-CB 3.31Å; I434-Y438 WeakPolarHBondContact O-CB 3.31Å; I434-Y438 PolarHBondContact O-N 2.87Å
435I97.6Very high94.9Very high0 Ų015.8 Ų15.80%07%0.072CC..Hα-helixtrans-65.2-37.5-178.9-155.265.3000111.2L370 M408 I428 F429 C432 P433 C439L370-I435 HydrophobicContact CB-CD1 4.27Å; L370-I435 HydrophobicContact CD2-CD1 3.55Å; L370-I435 HydrophobicContact CD2-CG1 3.65Å; L370-I435 HydrophobicContact CG-CD1 3.56Å; L370-I435 HydrophobicContact CG-CG1 4.24Å; M408-I435 HydrophobicContact SD-CD1 4Å; I428-I435 HydrophobicContact CG2-CB 4.42Å; I428-I435 HydrophobicContact CG2-CG1 4.29Å; I428-I435 HydrophobicContact CG2-CG2 4.5Å; F429-I435 HydrophobicContact CD1-CG2 3.73Å; F429-I435 HydrophobicContact CE1-CG1 4.35Å; F429-I435 HydrophobicContact CE1-CG2 3.74Å; C432-I435 VanDerWaalsContact O-CG2 3.26Å; C432-I435 WeakPolarHBondContact O-CG2 3.36Å; C432-I435 PolarHBondContact O-N 3.13Å; P433-I435 PolarHBondContact O-N 2.86Å; P433-I435 VanDerWaalsContact O-N 3.14Å; I435-C439 WeakPolarHBondContact O-CB 3.32Å; I435-C439 PolarHBondContact O-N 3.31Å; I435-C439 VanDerWaalsContact O-N 3.1Å; I435-C439 PolarHBondContact O-SG 3.34Å
436Y98.1Very high93.7Very high0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-70.5-43.7175.8-57.1-67.7000111L134 L154 F155 N158 F174 F429 P433 I434 C439 A440 F498L134-Y436 HydrophobicContact CD2-CD2 3.94Å; L134-Y436 HydrophobicContact CD2-CG 4.17Å; L154-Y436 HydrophobicContact CB-CD1 4.35Å; F155-Y436 HydrophobicContact CB-CD1 4.05Å; F155-Y436 HydrophobicContact CB-CE1 3.95Å; F155-Y436 HydrophobicContact CB-CE2 4.48Å; F155-Y436 HydrophobicContact CB-CG 4.36Å; F155-Y436 HydrophobicContact CD2-CE1 4.26Å; F155-Y436 AromaticContact CD2-CE2 3.98Å; F155-Y436 HydrophobicContact CD2-CE2 3.98Å; F155-Y436 AromaticContact CD2-CZ 3.67Å; N158-Y436 HydrophobicContact CB-CE1 3.71Å; F174-Y436 HydrophobicContact CE2-CE2 4.04Å; F174-Y436 HydrophobicContact CZ-CD2 4.34Å; F174-Y436 AromaticContact CZ-CE2 3.85Å; F174-Y436 HydrophobicContact CZ-CE2 3.85Å; F429-Y436 WeakPolarHBondContact CB-OH 3.37Å; F429-Y436 HydrophobicContact CD1-CD1 4.39Å; F429-Y436 AromaticContact CD1-CE1 3.48Å; F429-Y436 HydrophobicContact CD1-CE1 3.48Å; F429-Y436 VanDerWaalsContact CD1-CE1 3.48Å; F429-Y436 HydrophobicContact CD1-CE2 4.45Å; F429-Y436 AromaticContact CD1-CZ 3.53Å; F429-Y436 WeakPolarHBondContact CD1-OH 3.5Å; F429-Y436 HydrophobicContact CE1-CD1 4.46Å; F429-Y436 AromaticContact CE1-CE1 3.88Å; F429-Y436 HydrophobicContact CE1-CE1 3.88Å; F429-Y436 WeakPolarHBondContact O-CE2 3.34Å; F429-Y436 PolarHBondContact O-OH 3.44Å; P433-Y436 WeakPolarHBondContact O-CB 3.45Å; P433-Y436 PolarHBondContact O-N 3.31Å; P433-Y436 VanDerWaalsContact O-N 3.09Å; I434-Y436 VanDerWaalsContact C-N 3.29Å; I434-Y436 PolarHBondContact O-N 3.35Å; Y436-C439 PolarHBondContact O-N 2.89Å; Y436-A440 WeakPolarHBondContact O-CB 3.45Å; Y436-A440 PolarHBondContact O-N 2.95Å; Y436-F498 HydrophobicContact CD1-CE1 4.23Å; Y436-F498 HydrophobicContact CE1-CE1 4.31Å
437W97.6Very high92.5Very high2 Ų217.5 Ų17.51%0.0088%0.084CC..Hα-helixtrans-61.8-43.6177.6-64-23.4000112.4L134 L137 V141 L142 M401 Y404 P433 I434 A440 Y441L134-W437 HydrophobicContact CD1-CZ2 4.33Å; L137-W437 HydrophobicContact CB-CZ2 4.31Å; L137-W437 HydrophobicContact CD2-CH2 3.78Å; L137-W437 HydrophobicContact CD2-CZ2 3.76Å; L137-W437 HydrophobicContact CG-CH2 3.9Å; L137-W437 HydrophobicContact CG-CZ2 3.75Å; V141-W437 HydrophobicContact CB-CH2 4.38Å; V141-W437 HydrophobicContact CG1-CH2 4.36Å; V141-W437 HydrophobicContact CG1-CZ3 4.07Å; V141-W437 HydrophobicContact CG2-CH2 4.23Å; L142-W437 HydrophobicContact CD1-CB 3.72Å; L142-W437 HydrophobicContact CD1-CD2 4.15Å; L142-W437 HydrophobicContact CD1-CG 3.67Å; M401-W437 HydrophobicContact CE-CE3 4.11Å; M401-W437 HydrophobicContact CE-CZ3 4.44Å; M401-W437 HydrophobicContact SD-CE3 4.26Å; M401-W437 HydrophobicContact SD-CZ3 4.25Å; Y404-W437 HydrophobicContact CD1-CH2 4.24Å; Y404-W437 AromaticContact CD1-CZ3 3.81Å; Y404-W437 HydrophobicContact CD1-CZ3 3.81Å; Y404-W437 HydrophobicContact CD2-CZ3 4.43Å; Y404-W437 AromaticContact CE1-CH2 3.61Å; Y404-W437 HydrophobicContact CE1-CH2 3.61Å; Y404-W437 AromaticContact CE1-CZ3 3.63Å; Y404-W437 HydrophobicContact CE1-CZ3 3.63Å; Y404-W437 HydrophobicContact CE2-CZ3 4.29Å; Y404-W437 HydrophobicContact CG-CZ3 4.2Å; Y404-W437 AromaticContact CZ-CH2 3.82Å; Y404-W437 AromaticContact CZ-CZ3 3.89Å; P433-W437 HydrophobicContact CB-CH2 4.09Å; P433-W437 HydrophobicContact CB-CZ2 3.92Å; P433-W437 HydrophobicContact CG-CH2 4.11Å; P433-W437 HydrophobicContact CG-CZ2 4.43Å; P433-W437 HydrophobicContact CG-CZ3 4.45Å; P433-W437 PolarHBondContact O-N 3.32Å; I434-W437 HydrophobicContact CB-CE3 4.31Å; I434-W437 PolarHBondContact O-N 3.47Å; W437-A440 PolarHBondContact O-N 2.79Å; W437-Y441 VanDerWaalsContact O-CB 3.27Å; W437-Y441 WeakPolarHBondContact O-CB 3.45Å; W437-Y441 PolarHBondContact O-N 2.75Å
438Y96.8Very high90.3Very high12 Ų1221.9 Ų21.95%0.04711%0.114CC..Hα-helixtrans-64-48.6177.5178-109.6000111.7L370 I373 C374 T377 F378 I434 A440 Y441 L442L370-Y438 HydrophobicContact CD1-CD1 3.99Å; L370-Y438 HydrophobicContact CD1-CE1 3.87Å; I373-Y438 VanDerWaalsContact CG2-OH 3.27Å; I373-Y438 WeakPolarHBondContact CG2-OH 3.36Å; C374-Y438 HydrophobicContact CB-CD1 3.64Å; C374-Y438 HydrophobicContact CB-CD2 4.18Å; C374-Y438 HydrophobicContact CB-CE1 3.93Å; C374-Y438 HydrophobicContact CB-CE2 4.44Å; C374-Y438 HydrophobicContact CB-CG 3.77Å; C374-Y438 VanDerWaalsContact SG-CG 3.58Å; T377-Y438 HydrophobicContact CG2-CE2 4.04Å; T377-Y438 PolarHBondContact OG1-OH 3.31Å; F378-Y438 HydrophobicContact CE2-CD2 4.13Å; I434-Y438 VanDerWaalsContact O-CB 3.31Å; I434-Y438 WeakPolarHBondContact O-CB 3.31Å; I434-Y438 PolarHBondContact O-N 2.87Å; Y438-A440 VanDerWaalsContact C-N 3.34Å; Y438-A440 PolarHBondContact O-N 2.72Å; Y438-Y441 PolarHBondContact O-N 3.39Å; Y438-L442 HydrophobicContact CD1-CD1 4.14Å; Y438-L442 HydrophobicContact CE1-CD1 3.54Å; Y438-L442 HydrophobicContact CE1-CG 4.25Å; Y438-L442 HydrophobicContact CE2-CD1 4.4Å; Y438-L442 HydrophobicContact CE2-CD2 4.33Å; Y438-L442 HydrophobicContact CE2-CG 4.27Å; Y438-L442 WeakPolarHBondContact O-CG 3.34Å; Y438-L442 PolarHBondContact O-N 3.04Å
439C96.3Very high88.4Confident0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-61-43.9176.7-67.60000111.7L154 L370 I435 Y436 Y441 L442 L443 V494 F498L154-C439 HydrophobicContact CD1-CB 3.61Å; L370-C439 VanDerWaalsContact CD2-SG 3.59Å; I435-C439 WeakPolarHBondContact O-CB 3.32Å; I435-C439 PolarHBondContact O-N 3.31Å; I435-C439 VanDerWaalsContact O-N 3.1Å; I435-C439 PolarHBondContact O-SG 3.34Å; Y436-C439 PolarHBondContact O-N 2.89Å; C439-Y441 PolarHBondContact O-N 2.95Å; C439-L442 PolarHBondContact O-N 3.2Å; C439-L443 VanDerWaalsContact O-CG 3.31Å; C439-L443 WeakPolarHBondContact O-CG 3.13Å; C439-L443 PolarHBondContact O-N 3Å; C439-L443 VanDerWaalsContact O-N 3.08Å; C439-V494 HydrophobicContact CB-CG1 4.06Å; C439-F498 HydrophobicContact CB-CE2 4.47Å; C439-F498 HydrophobicContact CB-CZ 4.3Å
440A95.1Very high86.5Confident0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-62.9-41.9176.900000112.1V147 L150 A151 L154 Y436 W437 Y438 L442 L443 C444V147-A440 HydrophobicContact CG1-CB 3.9Å; V147-A440 WeakPolarHBondContact O-CB 3.23Å; L150-A440 HydrophobicContact CB-CB 3.97Å; L150-A440 HydrophobicContact CD2-CB 4.31Å; L150-A440 HydrophobicContact CG-CB 4.03Å; A151-A440 HydrophobicContact CB-CB 3.78Å; L154-A440 HydrophobicContact CD1-CB 4.2Å; Y436-A440 WeakPolarHBondContact O-CB 3.45Å; Y436-A440 PolarHBondContact O-N 2.95Å; W437-A440 PolarHBondContact O-N 2.79Å; Y438-A440 VanDerWaalsContact C-N 3.34Å; Y438-A440 PolarHBondContact O-N 2.72Å; A440-L442 PolarHBondContact O-N 2.99Å; A440-L443 PolarHBondContact O-N 3.4Å; A440-C444 WeakPolarHBondContact O-CB 3.19Å; A440-C444 PolarHBondContact O-N 2.8Å; A440-C444 PolarHBondContact O-SG 3.42Å
441Y92.9Very high84.7Confident121 Ų12135.2 Ų35.248%0.47518%0.181SC..Hα-helixtrans-58.5-47.3175.7177.2-96000111.7W437 Y438 C439 L443 C444 E445W437-Y441 VanDerWaalsContact O-CB 3.27Å; W437-Y441 WeakPolarHBondContact O-CB 3.45Å; W437-Y441 PolarHBondContact O-N 2.75Å; Y438-Y441 PolarHBondContact O-N 3.39Å; C439-Y441 PolarHBondContact O-N 2.95Å; Y441-L443 PolarHBondContact O-N 3.05Å; Y441-C444 PolarHBondContact O-N 3.18Å; Y441-E445 PolarHBondContact O-N 3.37Å
442L92Very high82.6Confident18 Ų1836 Ų369%0.09419%0.186CC..Hα-helixtrans-56.7-49.5175.7-69.6176.3000111.6Y438 C439 A440 C444 E445 H491Y438-L442 HydrophobicContact CD1-CD1 4.14Å; Y438-L442 HydrophobicContact CE1-CD1 3.54Å; Y438-L442 HydrophobicContact CE1-CG 4.25Å; Y438-L442 HydrophobicContact CE2-CD1 4.4Å; Y438-L442 HydrophobicContact CE2-CD2 4.33Å; Y438-L442 HydrophobicContact CE2-CG 4.27Å; Y438-L442 WeakPolarHBondContact O-CG 3.34Å; Y438-L442 PolarHBondContact O-N 3.04Å; C439-L442 PolarHBondContact O-N 3.2Å; A440-L442 PolarHBondContact O-N 2.99Å; L442-C444 VanDerWaalsContact C-N 3.31Å; L442-C444 PolarHBondContact O-N 3.35Å; L442-E445 WeakPolarHBondContact O-CB 3.28Å; L442-E445 PolarHBondContact O-N 3.41Å; L442-H491 PolarHBondContact O-CE1 3.05Å; L442-H491 PolarHBondContact O-NE2 2.63Å
443L90.8Very high80.2Confident1 Ų140.1 Ų40.11%0.00521%0.207CC..Hα-helixtrans-63.9-36.6-179.3-65.4177.7000112.3L150 L154 C439 A440 Y441 E445 T446 L447 Y486 H491 L495L150-L443 HydrophobicContact CD2-CB 3.55Å; L150-L443 HydrophobicContact CD2-CD1 4Å; L150-L443 HydrophobicContact CD2-CG 4.43Å; L150-L443 HydrophobicContact CG-CD1 4.39Å; L154-L443 HydrophobicContact CD1-CD1 4.08Å; L154-L443 HydrophobicContact CD2-CD1 4.21Å; C439-L443 VanDerWaalsContact O-CG 3.31Å; C439-L443 WeakPolarHBondContact O-CG 3.13Å; C439-L443 PolarHBondContact O-N 3Å; C439-L443 VanDerWaalsContact O-N 3.08Å; A440-L443 PolarHBondContact O-N 3.4Å; Y441-L443 PolarHBondContact O-N 3.05Å; L443-E445 VanDerWaalsContact C-N 3.28Å; L443-E445 PolarHBondContact O-N 3.42Å; L443-T446 PolarHBondContact O-N 2.65Å; L443-T446 PolarHBondContact O-OG1 3.33Å; L443-L447 PolarHBondContact O-N 2.82Å; L443-Y486 HydrophobicContact CB-CE1 3.86Å; L443-Y486 HydrophobicContact CD2-CD1 4.02Å; L443-Y486 HydrophobicContact CD2-CE1 3.66Å; L443-Y486 HydrophobicContact CG-CE1 4.28Å; L443-H491 HydrophobicContact CD2-CB 3.7Å; L443-L495 HydrophobicContact CD1-CD2 3.8Å; L443-L495 HydrophobicContact CD1-CG 4.18Å; L443-L495 HydrophobicContact CD2-CD1 4.04Å; L443-L495 HydrophobicContact CD2-CG 4.04Å
444C86.7Confident78Confident35 Ų3541.7 Ų41.724%0.23622%0.215CC..Hα-helixtrans-64.9-25.2177.9-76.20000113.9V147 A440 Y441 L442 T446 L447V147-C444 HydrophobicContact CG2-CB 4.26Å; A440-C444 WeakPolarHBondContact O-CB 3.19Å; A440-C444 PolarHBondContact O-N 2.8Å; A440-C444 PolarHBondContact O-SG 3.42Å; Y441-C444 PolarHBondContact O-N 3.18Å; L442-C444 VanDerWaalsContact C-N 3.31Å; L442-C444 PolarHBondContact O-N 3.35Å; C444-T446 PolarHBondContact O-N 2.87Å; C444-T446 VanDerWaalsContact O-N 3.11Å; C444-L447 PolarHBondContact O-N 2.94Å
445E76.7Confident75.5Confident104 Ų10448 Ų4849%0.48625%0.246SC..THydrogen-bonded Turntrans-55.7-28.6175.5-67.4179.5172.400112.4Y441 L442 L443 K490Y441-E445 PolarHBondContact O-N 3.37Å; L442-E445 WeakPolarHBondContact O-CB 3.28Å; L442-E445 PolarHBondContact O-N 3.41Å; L443-E445 VanDerWaalsContact C-N 3.28Å; L443-E445 PolarHBondContact O-N 3.42Å; E445-K490 IonicContact OE2-NZ 2.74Å; E445-K490 PolarHBondContact OE2-NZ 3.21Å
446T71.6Confident73.1Confident35 Ų3554.7 Ų54.722%0.21528%0.282CS..THydrogen-bonded Turntrans-118.46.2-173.9530000114.8L443 C444 P448 Y486 L488 H491L443-T446 PolarHBondContact O-N 2.65Å; L443-T446 PolarHBondContact O-OG1 3.33Å; C444-T446 PolarHBondContact O-N 2.87Å; C444-T446 VanDerWaalsContact O-N 3.11Å; T446-P448 WeakPolarHBondContact O-CD 3.37Å; T446-Y486 WeakPolarHBondContact OG1-CD1 3.45Å; T446-L488 HydrophobicContact CG2-CD1 3.54Å; T446-L488 HydrophobicContact CG2-CG 3.96Å; T446-H491 VanDerWaalsContact CG2-CE1 3.45Å; T446-H491 WeakPolarHBondContact CG2-CE1 3.49Å; T446-H491 PolarHBondContact OG1-CE1 3.39Å; T446-H491 PolarHBondContact OG1-ND1 3.49Å
447L69.3Low70.7Confident28 Ų2862.6 Ų62.615%0.14732%0.316CS..  trans-100.273.6174.9-89156.6000109.6L150 L443 C444 N449 F450 Y486L150-L447 HydrophobicContact CD2-CD1 4.12Å; L443-L447 PolarHBondContact O-N 2.82Å; C444-L447 PolarHBondContact O-N 2.94Å; L447-N449 PolarHBondContact O-N 3.29Å; L447-N449 VanDerWaalsContact O-N 3.08Å; L447-F450 HydrophobicContact CB-CB 4.13Å; L447-F450 HydrophobicContact CD2-CB 3.93Å; L447-F450 HydrophobicContact CD2-CD2 4.44Å; L447-F450 HydrophobicContact CG-CB 4.44Å; L447-Y486 HydrophobicContact CD1-CE1 3.78Å; L447-Y486 WeakPolarHBondContact CD1-OH 2.99Å; L447-Y486 HydrophobicContact CG-CE1 3.9Å
448P49.8Very low68.5Low104 Ų10465.9 Ų65.968%0.67533%0.33SS*.THydrogen-bonded Turntrans-64-17.5-176.722.4-30.6000113.5T446T446-P448 WeakPolarHBondContact O-CD 3.37Å
449N56.8Low66Low146 Ų14670.9 Ų70.978%0.78137%0.367SS*.THydrogen-bonded Turntrans-125.518.9-174-64.5-29.6000115.4L447 E451L447-N449 PolarHBondContact O-N 3.29Å; L447-N449 VanDerWaalsContact O-N 3.08Å; N449-E451 PolarHBondContact O-N 3.42Å
450F60Low63.7Low12 Ų1275 Ų755%0.05340%0.396CS..  trans-8374.7168.8-159.2-93.4000109.5K146 F149 L447 A480K146-F450 WeakPolarHBondContact CD-O 3.32Å; K146-F450 WeakPolarHBondContact CE-O 3.46Å; F149-F450 AromaticContact CD1-CE1 3.68Å; F149-F450 HydrophobicContact CD1-CE1 3.68Å; F149-F450 HydrophobicContact CD1-CZ 4.06Å; F149-F450 AromaticContact CE1-CE1 3.85Å; F149-F450 HydrophobicContact CE1-CE1 3.85Å; F149-F450 AromaticContact CE1-CZ 3.74Å; F149-F450 HydrophobicContact CE1-CZ 3.74Å; L447-F450 HydrophobicContact CB-CB 4.13Å; L447-F450 HydrophobicContact CD2-CB 3.93Å; L447-F450 HydrophobicContact CD2-CD2 4.44Å; L447-F450 HydrophobicContact CG-CB 4.44Å; F450-A480 HydrophobicContact CE2-CB 3.96Å; F450-A480 HydrophobicContact CZ-CB 4.2Å
451E58.4Low61.4Low122 Ų12283.2 Ų83.257%0.5744%0.44SS*.  trans-68.1136.2144.9-70.6-174.5163.800106.2N449 L453N449-E451 PolarHBondContact O-N 3.42Å; E451-L453 VanDerWaalsContact C-N 3.27Å; E451-L453 PolarHBondContact O-N 2.84Å
452P53.8Low59.3Low17 Ų1780.8 Ų80.811%0.1144%0.441CS..  trans-56.5103.7163.623.3-28.9000105.8M454P452-M454 PolarHBondContact O-N 3.21Å
453L47.9Very low57.4Low86 Ų8687.2 Ų87.245%0.4547%0.474SS..THydrogen-bonded Turntrans-63.415.3-167.2-91.6152.8000114.2E451 K479E451-L453 VanDerWaalsContact C-N 3.27Å; E451-L453 PolarHBondContact O-N 2.84Å; L453-K479 HydrophobicContact CD1-CD 4.26Å
454M50.7Low55.6Low33 Ų3392.8 Ų92.816%0.16351%0.508CS..THydrogen-bonded Turntrans-93.3-14.9-177.1-60.1-86.6-36.600113.7S10 P452 N456 Y473S10-M454 WeakPolarHBondContact CB-SD 3.49Å; S10-M454 WeakPolarHBondContact OG-CG 3.47Å; S10-M454 PolarHBondContact OG-SD 3.4Å; P452-M454 PolarHBondContact O-N 3.21Å; M454-N456 PolarHBondContact O-N 3.01Å; M454-Y473 HydrophobicContact CE-CE1 4.18Å; M454-Y473 HydrophobicContact SD-CE1 3.76Å
455M47.5Very low54.5Low131 Ų13192.4 Ų92.465%0.64550%0.504SS*.SBendtrans-61.9-26.8-176.4-77.8-77-78.600112.7
456N45.6Very low53.7Low141 Ų14192.9 Ų92.975%0.75451%0.509SS*.SBendtrans-122.40.2-163.5-75.3-13.5000118.5M454M454-N456 PolarHBondContact O-N 3.01Å
457K47.9Very low53.5Low166 Ų166101.1 Ų101.172%0.72254%0.536SS*.SBendtrans-127.41.5-169.8-88.2-170.6177.7-176.20121.1
458F50.9Low53.7Low71 Ų71102.9 Ų102.931%0.31155%0.545SS..  trans-119.498.3176.9-76.9-77.7000113.6E469 Y472F458-E469 WeakPolarHBondContact CD1-OE1 3.28Å; F458-E469 HydrophobicContact CE1-CG 4.25Å; F458-E469 WeakPolarHBondContact CE1-OE1 3.32Å; F458-E469 WeakPolarHBondContact CE2-OE1 3.15Å; F458-E469 WeakPolarHBondContact CG-OE1 3.19Å; F458-E469 HydrophobicContact CZ-CG 4.32Å; F458-E469 WeakPolarHBondContact CZ-OE1 3.42Å; F458-Y472 HydrophobicContact CE2-CD2 4Å; F458-Y472 HydrophobicContact CE2-CE2 4.4Å; F458-Y472 AromaticContact CZ-CD2 3.65Å; F458-Y472 HydrophobicContact CZ-CD2 3.65Å; F458-Y472 AromaticContact CZ-CE2 3.85Å; F458-Y472 HydrophobicContact CZ-CE2 3.85Å
459S45.5Very low54.9Low118 Ų11899.2 Ų99.283%0.82552%0.519SS*.  trans-133.969.9159.364.40000109.3
460S47.1Very low55.8Low85 Ų8596.2 Ų96.259%0.59450%0.503SS*.  trans-168.9130.8160.850.80000113.5N465S460-N465 PolarHBondContact O-ND2 2.87Å; S460-N465 VanDerWaalsContact O-ND2 3.09Å
461N48.2Very low56.7Low174 Ų174102.2 Ų102.293%0.9353%0.526SS*.  trans-84.2108175.7-74.5-21.8000110.1
462S48Very low57.7Low70 Ų70100.8 Ų100.849%0.4952%0.516SS..  trans-156.2154.2160.281.80000111.8V464 N465S462-V464 VanDerWaalsContact C-N 3.29Å; S462-V464 PolarHBondContact O-N 3.28Å; S462-N465 WeakPolarHBondContact O-CB 3.36Å; S462-N465 PolarHBondContact O-N 3.43Å
463L52.5Low59Low152 Ų152100.5 Ų100.580%0.79651%0.513SS*.THydrogen-bonded Turntrans-69.1-23.9179.4-79.6158.3000113.4N465 I466L463-N465 PolarHBondContact O-N 3.04Å; L463-N465 VanDerWaalsContact O-N 3.1Å; L463-I466 HydrophobicContact CD2-CD1 4.11Å; L463-I466 PolarHBondContact O-N 3.38Å
464V52.3Low60.8Low119 Ų119100.4 Ų100.472%0.72151%0.512SS*.THydrogen-bonded Turntrans-63.5-13.1172.6179.30000111.6S462S462-V464 VanDerWaalsContact C-N 3.29Å; S462-V464 PolarHBondContact O-N 3.28Å
465N63.4Low62.3Low26 Ų26102.9 Ų102.914%0.13952%0.522CS..Hα-helixtrans-80.1-20.6-178.9-123.2-2000114.2S460 S462 L463 R467 N468 E469S460-N465 PolarHBondContact O-ND2 2.87Å; S460-N465 VanDerWaalsContact O-ND2 3.09Å; S462-N465 WeakPolarHBondContact O-CB 3.36Å; S462-N465 PolarHBondContact O-N 3.43Å; L463-N465 PolarHBondContact O-N 3.04Å; L463-N465 VanDerWaalsContact O-N 3.1Å; N465-R467 PolarHBondContact O-N 2.86Å; N465-N468 PolarHBondContact O-N 3.13Å; N465-E469 VanDerWaalsContact O-CB 3.27Å; N465-E469 WeakPolarHBondContact O-CB 3.13Å; N465-E469 WeakPolarHBondContact O-CG 3.35Å; N465-E469 PolarHBondContact O-N 3.04Å
466I61.4Low63.9Low115 Ų11597.2 Ų97.259%0.5949%0.494SS*.Hα-helixtrans-62.9-43.5-173.4-62.3172.6000112.5L463 N468 E469 L470L463-I466 HydrophobicContact CD2-CD1 4.11Å; L463-I466 PolarHBondContact O-N 3.38Å; I466-N468 VanDerWaalsContact C-N 3.33Å; I466-N468 PolarHBondContact O-N 2.94Å; I466-E469 WeakPolarHBondContact O-CB 3.21Å; I466-E469 PolarHBondContact O-N 2.88Å; I466-L470 PolarHBondContact O-N 3.3Å
467R66.3Low65.9Low207 Ų20791.2 Ų91.278%0.78146%0.462SS*.Hα-helixtrans-64.9-40177.7-172176.769.7179.10.8111.3N465 Y471N465-R467 PolarHBondContact O-N 2.86Å; R467-Y471 WeakPolarHBondContact O-CB 3.28Å; R467-Y471 PolarHBondContact O-N 3.18Å; R467-Y471 VanDerWaalsContact O-N 3.09Å
468N74.8Confident67.7Low65 Ų6590 Ų9035%0.34845%0.454SS..Hα-helixtrans-66.1-44.2177.1-68.1-15000110.6N465 I466 Y471 Y472N465-N468 PolarHBondContact O-N 3.13Å; I466-N468 VanDerWaalsContact C-N 3.33Å; I466-N468 PolarHBondContact O-N 2.94Å; N468-Y471 WeakPolarHBondContact O-CB 3.4Å; N468-Y471 PolarHBondContact O-N 2.99Å; N468-Y472 HydrophobicContact CB-CD2 4.47Å; N468-Y472 HydrophobicContact CB-CE2 4.12Å; N468-Y472 WeakPolarHBondContact O-CD2 3.42Å; N468-Y472 PolarHBondContact O-N 3.26Å
469E73.8Confident69.3Low28 Ų2889.6 Ų89.613%0.13145%0.452CS..Hα-helixtrans-55.6-54.9175.3-76.7-89.6138.600111.6K13 F458 N465 I466 Y471 Y472 Y473K13-E469 IonicContact NZ-OE2 2.82Å; K13-E469 PolarHBondContact NZ-OE2 3.45Å; F458-E469 WeakPolarHBondContact CD1-OE1 3.28Å; F458-E469 HydrophobicContact CE1-CG 4.25Å; F458-E469 WeakPolarHBondContact CE1-OE1 3.32Å; F458-E469 WeakPolarHBondContact CE2-OE1 3.15Å; F458-E469 WeakPolarHBondContact CG-OE1 3.19Å; F458-E469 HydrophobicContact CZ-CG 4.32Å; F458-E469 WeakPolarHBondContact CZ-OE1 3.42Å; N465-E469 VanDerWaalsContact O-CB 3.27Å; N465-E469 WeakPolarHBondContact O-CB 3.13Å; N465-E469 WeakPolarHBondContact O-CG 3.35Å; N465-E469 PolarHBondContact O-N 3.04Å; I466-E469 WeakPolarHBondContact O-CB 3.21Å; I466-E469 PolarHBondContact O-N 2.88Å; E469-Y471 VanDerWaalsContact C-N 3.28Å; E469-Y471 PolarHBondContact O-N 3.4Å; E469-Y472 PolarHBondContact O-N 2.88Å; E469-Y472 VanDerWaalsContact O-N 3.08Å; E469-Y473 HydrophobicContact CB-CE2 3.86Å; E469-Y473 WeakPolarHBondContact O-CD2 3.07Å; E469-Y473 WeakPolarHBondContact O-CE2 3.4Å; E469-Y473 PolarHBondContact O-N 2.88Å; E469-Y473 VanDerWaalsContact OE2-CE2 3.3Å; E469-Y473 WeakPolarHBondContact OE2-CE2 3.09Å; E469-Y473 VanDerWaalsContact OE2-CZ 3.26Å; E469-Y473 PolarHBondContact OE2-OH 3.1Å
470L76.2Confident71.2Confident83 Ų8384 Ų8444%0.43541%0.413SS..Hα-helixtrans-57.6-42.9177.7-178.862.8000111.6V17 I466 Y472 Y473 L474V17-L470 HydrophobicContact CG1-CD1 4.47Å; V17-L470 HydrophobicContact CG2-CD1 3.75Å; I466-L470 PolarHBondContact O-N 3.3Å; L470-Y472 VanDerWaalsContact C-N 3.34Å; L470-Y472 PolarHBondContact O-N 3.47Å; L470-Y473 PolarHBondContact O-N 2.92Å; L470-L474 HydrophobicContact CD1-CD1 4.34Å; L470-L474 HydrophobicContact CD1-CG 4.3Å; L470-L474 HydrophobicContact CG-CD1 4.02Å; L470-L474 HydrophobicContact CG-CG 4.42Å; L470-L474 WeakPolarHBondContact O-CB 3.15Å; L470-L474 WeakPolarHBondContact O-CG 3.34Å; L470-L474 PolarHBondContact O-N 3.18Å
471Y79.8Confident73.3Confident138 Ų13880.3 Ų80.354%0.54139%0.387SS..Hα-helixtrans-59.4-42.1175.6171.6-101.6000112.4R467 N468 E469 K475R467-Y471 WeakPolarHBondContact O-CB 3.28Å; R467-Y471 PolarHBondContact O-N 3.18Å; R467-Y471 VanDerWaalsContact O-N 3.09Å; N468-Y471 WeakPolarHBondContact O-CB 3.4Å; N468-Y471 PolarHBondContact O-N 2.99Å; E469-Y471 VanDerWaalsContact C-N 3.28Å; E469-Y471 PolarHBondContact O-N 3.4Å; Y471-K475 HydrophobicContact CE1-CD 4.48Å; Y471-K475 VanDerWaalsContact O-CB 3.28Å; Y471-K475 WeakPolarHBondContact O-CB 3.27Å; Y471-K475 PolarHBondContact O-N 3.43Å
472Y78.2Confident75.3Confident92 Ų9273 Ų7336%0.36135%0.348SS..Hα-helixtrans-65.8-42.5176.2-71.8-63.7000112.4F458 N468 E469 L470 K475 D476F458-Y472 HydrophobicContact CE2-CD2 4Å; F458-Y472 HydrophobicContact CE2-CE2 4.4Å; F458-Y472 AromaticContact CZ-CD2 3.65Å; F458-Y472 HydrophobicContact CZ-CD2 3.65Å; F458-Y472 AromaticContact CZ-CE2 3.85Å; F458-Y472 HydrophobicContact CZ-CE2 3.85Å; N468-Y472 HydrophobicContact CB-CD2 4.47Å; N468-Y472 HydrophobicContact CB-CE2 4.12Å; N468-Y472 WeakPolarHBondContact O-CD2 3.42Å; N468-Y472 PolarHBondContact O-N 3.26Å; E469-Y472 PolarHBondContact O-N 2.88Å; E469-Y472 VanDerWaalsContact O-N 3.08Å; L470-Y472 VanDerWaalsContact C-N 3.34Å; L470-Y472 PolarHBondContact O-N 3.47Å; Y472-K475 WeakPolarHBondContact O-CB 3.44Å; Y472-K475 PolarHBondContact O-N 2.91Å; Y472-D476 PolarHBondContact O-N 3.28Å
473Y81.3Confident77.3Confident10 Ų1070.8 Ų70.84%0.03933%0.332CS..Hα-helixtrans-64-43.8176.4-60.3-52.5000112.1K13 M454 E469 L470 K475 D476 I477K13-Y473 HydrophobicContact CB-CD1 4.31Å; K13-Y473 HydrophobicContact CB-CD2 4.24Å; K13-Y473 HydrophobicContact CB-CE1 4.13Å; K13-Y473 HydrophobicContact CB-CE2 4.11Å; K13-Y473 HydrophobicContact CB-CG 4.39Å; K13-Y473 HydrophobicContact CD-CD2 4.38Å; K13-Y473 HydrophobicContact CD-CE1 3.99Å; K13-Y473 HydrophobicContact CD-CE2 3.47Å; K13-Y473 VanDerWaalsContact CD-CE2 3.47Å; K13-Y473 WeakPolarHBondContact CD-OH 3.27Å; K13-Y473 HydrophobicContact CG-CE2 4.41Å; K13-Y473 PolarHBondContact NZ-OH 3.11Å; M454-Y473 HydrophobicContact CE-CE1 4.18Å; M454-Y473 HydrophobicContact SD-CE1 3.76Å; E469-Y473 HydrophobicContact CB-CE2 3.86Å; E469-Y473 WeakPolarHBondContact O-CD2 3.07Å; E469-Y473 WeakPolarHBondContact O-CE2 3.4Å; E469-Y473 PolarHBondContact O-N 2.88Å; E469-Y473 VanDerWaalsContact OE2-CE2 3.3Å; E469-Y473 WeakPolarHBondContact OE2-CE2 3.09Å; E469-Y473 VanDerWaalsContact OE2-CZ 3.26Å; E469-Y473 PolarHBondContact OE2-OH 3.1Å; L470-Y473 PolarHBondContact O-N 2.92Å; Y473-K475 VanDerWaalsContact C-N 3.27Å; Y473-K475 PolarHBondContact O-N 3.41Å; Y473-D476 PolarHBondContact O-N 3.44Å; Y473-I477 WeakPolarHBondContact O-CB 3.43Å; Y473-I477 WeakPolarHBondContact O-CD1 3.34Å; Y473-I477 WeakPolarHBondContact O-CG1 3.49Å; Y473-I477 PolarHBondContact O-N 2.84Å
474L84.8Confident78.9Confident85 Ų8570 Ų7045%0.44533%0.327SS..Hα-helixtrans-60.7-39174.2-73172.1000111.5V17 L470 Y478V17-L474 HydrophobicContact CG1-CD2 3.85Å; L470-L474 HydrophobicContact CD1-CD1 4.34Å; L470-L474 HydrophobicContact CD1-CG 4.3Å; L470-L474 HydrophobicContact CG-CD1 4.02Å; L470-L474 HydrophobicContact CG-CG 4.42Å; L470-L474 WeakPolarHBondContact O-CB 3.15Å; L470-L474 WeakPolarHBondContact O-CG 3.34Å; L470-L474 PolarHBondContact O-N 3.18Å; L474-Y478 WeakPolarHBondContact O-CB 3.26Å; L474-Y478 PolarHBondContact O-N 3.48Å
475K83Confident80.4Confident84 Ų8468.2 Ų68.237%0.36531%0.311SS..Hα-helixtrans-65.4-40.9175.9-174.4175.2-176.7172.80112.3Y471 Y472 Y473 Y478 K479Y471-K475 HydrophobicContact CE1-CD 4.48Å; Y471-K475 VanDerWaalsContact O-CB 3.28Å; Y471-K475 WeakPolarHBondContact O-CB 3.27Å; Y471-K475 PolarHBondContact O-N 3.43Å; Y472-K475 WeakPolarHBondContact O-CB 3.44Å; Y472-K475 PolarHBondContact O-N 2.91Å; Y473-K475 VanDerWaalsContact C-N 3.27Å; Y473-K475 PolarHBondContact O-N 3.41Å; K475-Y478 PolarHBondContact O-N 3.01Å; K475-K479 HydrophobicContact CG-CD 4.49Å; K475-K479 WeakPolarHBondContact O-CB 3.44Å; K475-K479 VanDerWaalsContact O-CG 3.27Å; K475-K479 WeakPolarHBondContact O-CG 3.33Å; K475-K479 PolarHBondContact O-N 3.36Å
476D81Confident81.5Confident12 Ų1267.1 Ų67.16%0.06431%0.305CS..Hα-helixtrans-70-42.7178.1-73.6-15.3000111.7Y472 Y473 Y478 K479 A480Y472-D476 PolarHBondContact O-N 3.28Å; Y473-D476 PolarHBondContact O-N 3.44Å; D476-Y478 VanDerWaalsContact C-N 3.34Å; D476-Y478 PolarHBondContact O-N 3.47Å; D476-K479 PolarHBondContact O-N 3.03Å; D476-A480 WeakPolarHBondContact O-CB 3.39Å; D476-A480 PolarHBondContact O-N 3.01Å
477I86.7Confident82.6Confident16 Ų1669.4 Ų69.48%0.08231%0.313CS..Hα-helixtrans-57.4-49.5171.4-69164.7000109.9C14 V17 L18 L153 Y473 K479 A480 L481C14-I477 HydrophobicContact CB-CD1 4.13Å; C14-I477 HydrophobicContact CB-CG1 4Å; V17-I477 HydrophobicContact CB-CD1 4.18Å; V17-I477 HydrophobicContact CG1-CD1 4.13Å; L18-I477 HydrophobicContact CD1-CG2 4.49Å; L18-I477 HydrophobicContact CD2-CD1 4.47Å; L18-I477 HydrophobicContact CD2-CG2 3.77Å; L18-I477 HydrophobicContact CG-CD1 4.06Å; L18-I477 HydrophobicContact CG-CG1 4.47Å; L18-I477 HydrophobicContact CG-CG2 4.28Å; L153-I477 HydrophobicContact CD1-CG1 4.36Å; Y473-I477 WeakPolarHBondContact O-CB 3.43Å; Y473-I477 WeakPolarHBondContact O-CD1 3.34Å; Y473-I477 WeakPolarHBondContact O-CG1 3.49Å; Y473-I477 PolarHBondContact O-N 2.84Å; I477-K479 VanDerWaalsContact C-N 3.34Å; I477-K479 PolarHBondContact O-N 2.64Å; I477-A480 PolarHBondContact O-N 3.5Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 WeakPolarHBondContact O-CB 3.47Å; I477-L481 PolarHBondContact O-N 2.96Å
478Y86.9Confident83.7Confident139 Ų13963 Ų6355%0.54529%0.294SS..Hα-helixtrans-61.1-42.7179.7177.8-101000111.8L474 K475 D476 A480 N482L474-Y478 WeakPolarHBondContact O-CB 3.26Å; L474-Y478 PolarHBondContact O-N 3.48Å; K475-Y478 PolarHBondContact O-N 3.01Å; D476-Y478 VanDerWaalsContact C-N 3.34Å; D476-Y478 PolarHBondContact O-N 3.47Å; Y478-A480 PolarHBondContact O-N 3.31Å; Y478-N482 HydrophobicContact CD2-CB 4.16Å; Y478-N482 HydrophobicContact CE2-CB 4.06Å; Y478-N482 WeakPolarHBondContact CE2-ND2 3.09Å; Y478-N482 WeakPolarHBondContact O-CB 3.49Å; Y478-N482 PolarHBondContact O-N 2.89Å; Y478-N482 PolarHBondContact OH-ND2 3.28Å
479K84Confident84.4Confident63 Ų6364.6 Ų64.627%0.27431%0.306SS..Hα-helixtrans-63.2-41.1175.9-77.6175.3174.6-172.60112.9L453 K475 D476 I477 Q485L453-K479 HydrophobicContact CD1-CD 4.26Å; K475-K479 HydrophobicContact CG-CD 4.49Å; K475-K479 WeakPolarHBondContact O-CB 3.44Å; K475-K479 VanDerWaalsContact O-CG 3.27Å; K475-K479 WeakPolarHBondContact O-CG 3.33Å; K475-K479 PolarHBondContact O-N 3.36Å; D476-K479 PolarHBondContact O-N 3.03Å; I477-K479 VanDerWaalsContact C-N 3.34Å; I477-K479 PolarHBondContact O-N 2.64Å; K479-Q485 VanDerWaalsContact CA-OE1 3.29Å; K479-Q485 PolarHBondContact O-OE1 3.26Å
480A86.4Confident85.1Confident1 Ų167.5 Ų67.51%0.00832%0.318CS..Hα-helixtrans-76-39.3-177.600000112.6L150 L153 F450 D476 I477 Y478 Y486L150-A480 HydrophobicContact CD1-CB 4.08Å; L153-A480 HydrophobicContact CD2-CB 3.39Å; F450-A480 HydrophobicContact CE2-CB 3.96Å; F450-A480 HydrophobicContact CZ-CB 4.2Å; D476-A480 WeakPolarHBondContact O-CB 3.39Å; D476-A480 PolarHBondContact O-N 3.01Å; I477-A480 PolarHBondContact O-N 3.5Å; Y478-A480 PolarHBondContact O-N 3.31Å; A480-Y486 PolarHBondContact O-OH 3.25Å
481L90.2Very high85.8Confident8 Ų863.5 Ų63.54%0.04230%0.297CS..Hα-helixtrans-106.8-6.7-167.8-58.7-176.6000114.9L18 L153 L154 C157 I477 P483 L495 L499L18-L481 HydrophobicContact CD1-CD1 4.05Å; L18-L481 HydrophobicContact CD2-CD1 4.26Å; L153-L481 HydrophobicContact CD2-CD1 4.08Å; L153-L481 HydrophobicContact CD2-CD2 3.83Å; L153-L481 HydrophobicContact CD2-CG 3.71Å; L153-L481 HydrophobicContact CG-CD1 4.06Å; L153-L481 HydrophobicContact CG-CD2 4.11Å; L153-L481 HydrophobicContact CG-CG 4.17Å; L154-L481 HydrophobicContact CD2-CD2 4.09Å; C157-L481 HydrophobicContact CB-CD1 4.46Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 WeakPolarHBondContact O-CB 3.47Å; I477-L481 PolarHBondContact O-N 2.96Å; L481-P483 WeakPolarHBondContact O-CD 3.18Å; L481-L495 HydrophobicContact CD2-CD2 4.17Å; L481-L499 HydrophobicContact CB-CD1 4.43Å; L481-L499 HydrophobicContact CD1-CD2 4.43Å; L481-L499 WeakPolarHBondContact O-CD1 3.42Å
482N90.3Very high86.4Confident20 Ų2061.5 Ų61.511%0.10729%0.289CS..  trans-73.6114.3178179.43.7000111.2Y478 L484 Q485 Y486Y478-N482 HydrophobicContact CD2-CB 4.16Å; Y478-N482 HydrophobicContact CE2-CB 4.06Å; Y478-N482 WeakPolarHBondContact CE2-ND2 3.09Å; Y478-N482 WeakPolarHBondContact O-CB 3.49Å; Y478-N482 PolarHBondContact O-N 2.89Å; Y478-N482 PolarHBondContact OH-ND2 3.28Å; N482-L484 PolarHBondContact O-N 3.14Å; N482-L484 VanDerWaalsContact O-N 3.15Å; N482-L484 WeakPolarHBondContact OD1-CB 3.31Å; N482-L484 PolarHBondContact OD1-N 3.23Å; N482-Q485 HydrophobicContact CB-CG 4.15Å; N482-Q485 PolarHBondContact O-N 3.31Å; N482-Y486 WeakPolarHBondContact O-CD2 3.5Å
483P89.1Confident87.2Confident24 Ų2462.3 Ų62.316%0.15630%0.298CS..G310 helixtrans-57.7-32.1179.5-20.631.5000113.2L481 Q485 Y486 R492 L495L481-P483 WeakPolarHBondContact O-CD 3.18Å; P483-Q485 PolarHBondContact O-N 2.88Å; P483-Y486 PolarHBondContact O-N 2.96Å; P483-Y486 VanDerWaalsContact O-N 3.17Å; P483-R492 HydrophobicContact CB-CB 4.4Å; P483-R492 WeakPolarHBondContact O-CG 3.21Å; P483-L495 HydrophobicContact CB-CB 4.18Å; P483-L495 HydrophobicContact CG-CB 3.83Å
484L87.1Confident87.8Confident134 Ų13462.6 Ų62.670%0.70230%0.301SS*.G310 helixtrans-66.9-19.8-175.8-60.8176000113.4N482 Y486N482-L484 PolarHBondContact O-N 3.14Å; N482-L484 VanDerWaalsContact O-N 3.15Å; N482-L484 WeakPolarHBondContact OD1-CB 3.31Å; N482-L484 PolarHBondContact OD1-N 3.23Å; L484-Y486 VanDerWaalsContact C-N 3.26Å; L484-Y486 PolarHBondContact O-N 3.47Å
485Q83.7Confident88.3Confident82 Ų8258.5 Ų58.538%0.38328%0.28SS..G310 helixtrans-76.5-14.2177.7-65.9-167.1300113.5K479 N482 P483K479-Q485 VanDerWaalsContact CA-OE1 3.29Å; K479-Q485 PolarHBondContact O-OE1 3.26Å; N482-Q485 HydrophobicContact CB-CG 4.15Å; N482-Q485 PolarHBondContact O-N 3.31Å; P483-Q485 PolarHBondContact O-N 2.88Å
486Y85.8Confident88.9Confident4 Ų458 Ų582%0.01629%0.285CS..  trans-95.7133.4-176.9-65.9-96.7000110.5L443 T446 L447 A480 N482 P483 L484 H491 R492 L495L443-Y486 HydrophobicContact CB-CE1 3.86Å; L443-Y486 HydrophobicContact CD2-CD1 4.02Å; L443-Y486 HydrophobicContact CD2-CE1 3.66Å; L443-Y486 HydrophobicContact CG-CE1 4.28Å; T446-Y486 WeakPolarHBondContact OG1-CD1 3.45Å; L447-Y486 HydrophobicContact CD1-CE1 3.78Å; L447-Y486 WeakPolarHBondContact CD1-OH 2.99Å; L447-Y486 HydrophobicContact CG-CE1 3.9Å; A480-Y486 PolarHBondContact O-OH 3.25Å; N482-Y486 WeakPolarHBondContact O-CD2 3.5Å; P483-Y486 PolarHBondContact O-N 2.96Å; P483-Y486 VanDerWaalsContact O-N 3.17Å; L484-Y486 VanDerWaalsContact C-N 3.26Å; L484-Y486 PolarHBondContact O-N 3.47Å; Y486-H491 HydrophobicContact CD1-CB 3.81Å; Y486-H491 AromaticContact CD1-ND1 3.9Å; Y486-H491 HydrophobicContact CG-CB 3.97Å; Y486-R492 VanDerWaalsContact O-CZ 3.23Å; Y486-R492 PolarHBondContact O-NE 3.22Å; Y486-R492 PolarHBondContact O-NH2 2.98Å; Y486-L495 HydrophobicContact CD2-CD1 3.47Å; Y486-L495 VanDerWaalsContact CD2-CD1 3.47Å; Y486-L495 HydrophobicContact CE2-CD1 3.19Å; Y486-L495 HydrophobicContact CG-CD1 4.32Å
487H85.3Confident89.6Confident162 Ų16258.4 Ų58.475%0.7529%0.286SS*.  trans-78.3-35.9179-65.7-70.5000112.8
488L89Confident90.1Very high72 Ų7257.7 Ų57.738%0.37728%0.282SS..SBendtrans-80.4129.8-176.3-65.1177.1000111.5T446 K490 H491 R492T446-L488 HydrophobicContact CG2-CD1 3.54Å; T446-L488 HydrophobicContact CG2-CG 3.96Å; L488-K490 VanDerWaalsContact C-N 3.26Å; L488-K490 HydrophobicContact CB-CG 3.99Å; L488-K490 PolarHBondContact O-N 3.5Å; L488-H491 WeakPolarHBondContact O-CB 3.33Å; L488-H491 PolarHBondContact O-N 3.17Å; L488-R492 PolarHBondContact O-N 3.36Å
489V89.8Confident90.5Very high99 Ų9953.2 Ų53.260%0.627%0.268SS*.Hα-helixtrans-55.8-41.3179.3177.50000111.6H491 R492 I493V489-H491 PolarHBondContact O-N 2.95Å; V489-R492 PolarHBondContact O-N 3.33Å; V489-R492 VanDerWaalsContact O-N 3.16Å; V489-I493 HydrophobicContact CG1-CD1 3.78Å; V489-I493 HydrophobicContact CG1-CG1 4.24Å; V489-I493 WeakPolarHBondContact O-CG1 3.49Å; V489-I493 PolarHBondContact O-N 3.46Å
490K89.4Confident91.1Very high89 Ų8951.5 Ų51.539%0.38727%0.268SS..Hα-helixtrans-53.9-38.6176.152.3160.3-178.6161.40113.1E445 L488 V494E445-K490 IonicContact OE2-NZ 2.74Å; E445-K490 PolarHBondContact OE2-NZ 3.21Å; L488-K490 VanDerWaalsContact C-N 3.26Å; L488-K490 HydrophobicContact CB-CG 3.99Å; L488-K490 PolarHBondContact O-N 3.5Å; K490-V494 WeakPolarHBondContact O-CG2 3.38Å; K490-V494 PolarHBondContact O-N 2.81Å
491H90.6Very high91.6Very high0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-73.3-40.1-178.4-62175.1000111.3L442 L443 T446 Y486 L488 V489 V494 L495L442-H491 PolarHBondContact O-CE1 3.05Å; L442-H491 PolarHBondContact O-NE2 2.63Å; L443-H491 HydrophobicContact CD2-CB 3.7Å; T446-H491 VanDerWaalsContact CG2-CE1 3.45Å; T446-H491 WeakPolarHBondContact CG2-CE1 3.49Å; T446-H491 PolarHBondContact OG1-CE1 3.39Å; T446-H491 PolarHBondContact OG1-ND1 3.49Å; Y486-H491 HydrophobicContact CD1-CB 3.81Å; Y486-H491 AromaticContact CD1-ND1 3.9Å; Y486-H491 HydrophobicContact CG-CB 3.97Å; L488-H491 WeakPolarHBondContact O-CB 3.33Å; L488-H491 PolarHBondContact O-N 3.17Å; V489-H491 PolarHBondContact O-N 2.95Å; H491-V494 PolarHBondContact O-N 3.3Å; H491-L495 PolarHBondContact O-N 3.42Å; H491-L495 VanDerWaalsContact O-N 3.11Å
492R92.5Very high91.9Very high96 Ų9653 Ų5336%0.36227%0.273SS..Hα-helixtrans-60.4-46.3174.2-57.2-169.3176.8170.4-0.2111.2P483 Y486 L488 V489 V494 L495 C496P483-R492 HydrophobicContact CB-CB 4.4Å; P483-R492 WeakPolarHBondContact O-CG 3.21Å; Y486-R492 VanDerWaalsContact O-CZ 3.23Å; Y486-R492 PolarHBondContact O-NE 3.22Å; Y486-R492 PolarHBondContact O-NH2 2.98Å; L488-R492 PolarHBondContact O-N 3.36Å; V489-R492 PolarHBondContact O-N 3.33Å; V489-R492 VanDerWaalsContact O-N 3.16Å; R492-V494 VanDerWaalsContact C-N 3.35Å; R492-V494 PolarHBondContact O-N 2.93Å; R492-L495 PolarHBondContact O-N 3.04Å; R492-C496 VanDerWaalsContact O-CB 3.31Å; R492-C496 WeakPolarHBondContact O-CB 3.36Å; R492-C496 PolarHBondContact O-N 3.37Å; R492-C496 PolarHBondContact O-SG 2.71Å
493I94.2Very high92.1Very high108 Ų10854.6 Ų54.655%0.55428%0.284SS*.Hα-helixtrans-58.6-46.1179.1-69.1171.2000110.9V489 L495 C496 Y497V489-I493 HydrophobicContact CG1-CD1 3.78Å; V489-I493 HydrophobicContact CG1-CG1 4.24Å; V489-I493 WeakPolarHBondContact O-CG1 3.49Å; V489-I493 PolarHBondContact O-N 3.46Å; I493-L495 PolarHBondContact O-N 2.98Å; I493-C496 PolarHBondContact O-N 3.2Å; I493-Y497 VanDerWaalsContact O-CB 3.32Å; I493-Y497 WeakPolarHBondContact O-CB 3.49Å; I493-Y497 PolarHBondContact O-N 3.05Å
494V94.4Very high92.5Very high16 Ų1657.3 Ų57.310%0.09730%0.296CS..Hα-helixtrans-60.2-47.4178171.40000111.2C439 K490 H491 R492 Y497 F498C439-V494 HydrophobicContact CB-CG1 4.06Å; K490-V494 WeakPolarHBondContact O-CG2 3.38Å; K490-V494 PolarHBondContact O-N 2.81Å; H491-V494 PolarHBondContact O-N 3.3Å; R492-V494 VanDerWaalsContact C-N 3.35Å; R492-V494 PolarHBondContact O-N 2.93Å; V494-Y497 WeakPolarHBondContact O-CB 3.29Å; V494-Y497 PolarHBondContact O-N 3.42Å; V494-F498 HydrophobicContact CG1-CD2 4.06Å; V494-F498 HydrophobicContact CG1-CE2 4.02Å; V494-F498 VanDerWaalsContact O-CD2 3.24Å; V494-F498 WeakPolarHBondContact O-CD2 3.21Å; V494-F498 PolarHBondContact O-N 3.42Å
495L94.8Very high92.9Very high0 Ų050.9 Ų50.90%026%0.263CS..Hα-helixtrans-69.1-39.6-179.7-71.3172.1000112.9L154 L443 L481 P483 Y486 H491 R492 I493 Y497 F498 L499L154-L495 HydrophobicContact CD2-CD2 4Å; L443-L495 HydrophobicContact CD1-CD2 3.8Å; L443-L495 HydrophobicContact CD1-CG 4.18Å; L443-L495 HydrophobicContact CD2-CD1 4.04Å; L443-L495 HydrophobicContact CD2-CG 4.04Å; L481-L495 HydrophobicContact CD2-CD2 4.17Å; P483-L495 HydrophobicContact CB-CB 4.18Å; P483-L495 HydrophobicContact CG-CB 3.83Å; Y486-L495 HydrophobicContact CD2-CD1 3.47Å; Y486-L495 VanDerWaalsContact CD2-CD1 3.47Å; Y486-L495 HydrophobicContact CE2-CD1 3.19Å; Y486-L495 HydrophobicContact CG-CD1 4.32Å; H491-L495 PolarHBondContact O-N 3.42Å; H491-L495 VanDerWaalsContact O-N 3.11Å; R492-L495 PolarHBondContact O-N 3.04Å; I493-L495 PolarHBondContact O-N 2.98Å; L495-Y497 VanDerWaalsContact C-N 3.28Å; L495-Y497 PolarHBondContact O-N 2.92Å; L495-F498 PolarHBondContact O-N 3.41Å; L495-L499 WeakPolarHBondContact O-CB 3.45Å; L495-L499 WeakPolarHBondContact O-CG 3.39Å; L495-L499 PolarHBondContact O-N 3.49Å
496C95.8Very high93.5Very high72 Ų7247 Ų4749%0.48624%0.244SC..Hα-helixtrans-61.1-38.5172.7-72.90000111.5R492 I493 G500R492-C496 VanDerWaalsContact O-CB 3.31Å; R492-C496 WeakPolarHBondContact O-CB 3.36Å; R492-C496 PolarHBondContact O-N 3.37Å; R492-C496 PolarHBondContact O-SG 2.71Å; I493-C496 PolarHBondContact O-N 3.2Å; C496-G500 VanDerWaalsContact O-CA 3.25Å; C496-G500 WeakPolarHBondContact O-CA 3.34Å; C496-G500 PolarHBondContact O-N 3.35Å
497Y95.8Very high94Very high22 Ų2250 Ų509%0.08626%0.26CS..Hα-helixtrans-62.9-51.8173.7170-124.6000111.4P159 P366 F429 I493 V494 L495 Y501P159-Y497 HydrophobicContact CB-CE1 4.38Å; P159-Y497 HydrophobicContact CB-CE2 4.18Å; P159-Y497 HydrophobicContact CG-CD1 4.01Å; P159-Y497 HydrophobicContact CG-CD2 4.49Å; P159-Y497 HydrophobicContact CG-CE1 3.49Å; P159-Y497 VanDerWaalsContact CG-CE1 3.49Å; P159-Y497 HydrophobicContact CG-CE2 4.01Å; P159-Y497 HydrophobicContact CG-CG 4.49Å; P159-Y497 VanDerWaalsContact CG-CZ 3.47Å; P366-Y497 HydrophobicContact CB-CD1 4.37Å; P366-Y497 HydrophobicContact CB-CD2 3.65Å; P366-Y497 HydrophobicContact CB-CE1 4.18Å; P366-Y497 HydrophobicContact CB-CE2 3.47Å; P366-Y497 VanDerWaalsContact CB-CE2 3.47Å; P366-Y497 HydrophobicContact CB-CG 4.12Å; P366-Y497 HydrophobicContact CG-CD2 4.14Å; P366-Y497 HydrophobicContact CG-CE2 4.02Å; F429-Y497 HydrophobicContact CE2-CE1 4.15Å; F429-Y497 HydrophobicContact CZ-CE1 4Å; I493-Y497 VanDerWaalsContact O-CB 3.32Å; I493-Y497 WeakPolarHBondContact O-CB 3.49Å; I493-Y497 PolarHBondContact O-N 3.05Å; V494-Y497 WeakPolarHBondContact O-CB 3.29Å; V494-Y497 PolarHBondContact O-N 3.42Å; L495-Y497 VanDerWaalsContact C-N 3.28Å; L495-Y497 PolarHBondContact O-N 2.92Å; Y497-Y501 HydrophobicContact CD2-CD1 4.37Å; Y497-Y501 AromaticContact CD2-CD2 3.45Å; Y497-Y501 HydrophobicContact CD2-CD2 3.45Å; Y497-Y501 VanDerWaalsContact CD2-CD2 3.45Å; Y497-Y501 HydrophobicContact CD2-CE1 4.48Å; Y497-Y501 AromaticContact CD2-CE2 3.6Å; Y497-Y501 HydrophobicContact CD2-CE2 3.6Å; Y497-Y501 AromaticContact CD2-CG 3.87Å; Y497-Y501 HydrophobicContact CD2-CG 3.87Å; Y497-Y501 AromaticContact CE2-CD1 3.67Å; Y497-Y501 HydrophobicContact CE2-CD1 3.67Å; Y497-Y501 AromaticContact CE2-CD2 3.61Å; Y497-Y501 HydrophobicContact CE2-CD2 3.61Å; Y497-Y501 AromaticContact CE2-CE1 3.73Å; Y497-Y501 HydrophobicContact CE2-CE1 3.73Å; Y497-Y501 AromaticContact CE2-CE2 3.68Å; Y497-Y501 HydrophobicContact CE2-CE2 3.68Å; Y497-Y501 AromaticContact CE2-CG 3.6Å; Y497-Y501 HydrophobicContact CE2-CG 3.6Å; Y497-Y501 AromaticContact CE2-CZ 3.73Å; Y497-Y501 VanDerWaalsContact O-CB 3.3Å; Y497-Y501 WeakPolarHBondContact O-CB 3.27Å; Y497-Y501 PolarHBondContact O-N 2.94Å
498F96.9Very high94.4Very high0 Ų044.6 Ų44.60%024%0.237CC..Hα-helixtrans-58.5-56.5180-88.1-115.6000112.3L154 N158 P159 F429 Y436 C439 V494 L495 A502L154-F498 HydrophobicContact CB-CD1 4.12Å; L154-F498 HydrophobicContact CB-CE1 3.77Å; L154-F498 HydrophobicContact CD2-CD1 3.82Å; L154-F498 HydrophobicContact CD2-CE1 4.09Å; L154-F498 HydrophobicContact CD2-CG 4.23Å; L154-F498 HydrophobicContact CG-CE1 4.38Å; N158-F498 HydrophobicContact CB-CE1 4.4Å; P159-F498 HydrophobicContact CG-CD2 4.28Å; P159-F498 HydrophobicContact CG-CG 4.29Å; F429-F498 AromaticContact CE1-CE1 3.91Å; F429-F498 HydrophobicContact CE1-CE1 3.91Å; F429-F498 HydrophobicContact CE1-CE2 4.29Å; F429-F498 AromaticContact CE1-CZ 3.57Å; F429-F498 HydrophobicContact CE1-CZ 3.57Å; F429-F498 HydrophobicContact CZ-CE1 4.42Å; F429-F498 HydrophobicContact CZ-CE2 4.14Å; F429-F498 AromaticContact CZ-CZ 3.88Å; F429-F498 HydrophobicContact CZ-CZ 3.88Å; Y436-F498 HydrophobicContact CD1-CE1 4.23Å; Y436-F498 HydrophobicContact CE1-CE1 4.31Å; C439-F498 HydrophobicContact CB-CE2 4.47Å; C439-F498 HydrophobicContact CB-CZ 4.3Å; V494-F498 HydrophobicContact CG1-CD2 4.06Å; V494-F498 HydrophobicContact CG1-CE2 4.02Å; V494-F498 VanDerWaalsContact O-CD2 3.24Å; V494-F498 WeakPolarHBondContact O-CD2 3.21Å; V494-F498 PolarHBondContact O-N 3.42Å; L495-F498 PolarHBondContact O-N 3.41Å; F498-A502 WeakPolarHBondContact O-CB 3.24Å; F498-A502 PolarHBondContact O-N 3.17Å
499L96Very high94.7Very high46 Ų4641.2 Ų41.224%0.24122%0.219CC..Hα-helixtrans-71.2-41.5-176.3-63.2179000112.1C157 L481 L495 A502 T503C157-L499 HydrophobicContact CB-CD2 4.09Å; L481-L499 HydrophobicContact CB-CD1 4.43Å; L481-L499 HydrophobicContact CD1-CD2 4.43Å; L481-L499 WeakPolarHBondContact O-CD1 3.42Å; L495-L499 WeakPolarHBondContact O-CB 3.45Å; L495-L499 WeakPolarHBondContact O-CG 3.39Å; L495-L499 PolarHBondContact O-N 3.49Å; L499-A502 PolarHBondContact O-N 2.61Å; L499-T503 WeakPolarHBondContact O-CB 3.24Å; L499-T503 PolarHBondContact O-N 3.46Å; L499-T503 PolarHBondContact O-OG1 3.38Å; L499-T503 VanDerWaalsContact O-OG1 3.07Å
500G95.6Very high94.9Very high27 Ų2736.5 Ų36.528%0.27819%0.19SC..Hα-helixtrans-61.5-50.6179.500000111.8C496 T503 I504C496-G500 VanDerWaalsContact O-CA 3.25Å; C496-G500 WeakPolarHBondContact O-CA 3.34Å; C496-G500 PolarHBondContact O-N 3.35Å; G500-T503 PolarHBondContact O-N 2.75Å; G500-I504 VanDerWaalsContact O-CB 3.31Å; G500-I504 WeakPolarHBondContact O-CB 3.32Å; G500-I504 WeakPolarHBondContact O-CD1 3.4Å; G500-I504 WeakPolarHBondContact O-CG1 3.48Å; G500-I504 PolarHBondContact O-N 2.92Å
501Y96.3Very high95.1Very high39 Ų3932.4 Ų32.415%0.15317%0.173CC..Hα-helixtrans-67-40.8178-87.1-123.6000112P159 L363 Y497 T503 G505 W515P159-Y501 HydrophobicContact CB-CD1 4.26Å; P159-Y501 HydrophobicContact CB-CG 4.24Å; L363-Y501 HydrophobicContact CD1-CE1 3.73Å; L363-Y501 HydrophobicContact CG-CE1 4.42Å; L363-Y501 WeakPolarHBondContact O-CE1 3.37Å; L363-Y501 PolarHBondContact O-OH 2.8Å; Y497-Y501 HydrophobicContact CD2-CD1 4.37Å; Y497-Y501 AromaticContact CD2-CD2 3.45Å; Y497-Y501 HydrophobicContact CD2-CD2 3.45Å; Y497-Y501 VanDerWaalsContact CD2-CD2 3.45Å; Y497-Y501 HydrophobicContact CD2-CE1 4.48Å; Y497-Y501 AromaticContact CD2-CE2 3.6Å; Y497-Y501 HydrophobicContact CD2-CE2 3.6Å; Y497-Y501 AromaticContact CD2-CG 3.87Å; Y497-Y501 HydrophobicContact CD2-CG 3.87Å; Y497-Y501 AromaticContact CE2-CD1 3.67Å; Y497-Y501 HydrophobicContact CE2-CD1 3.67Å; Y497-Y501 AromaticContact CE2-CD2 3.61Å; Y497-Y501 HydrophobicContact CE2-CD2 3.61Å; Y497-Y501 AromaticContact CE2-CE1 3.73Å; Y497-Y501 HydrophobicContact CE2-CE1 3.73Å; Y497-Y501 AromaticContact CE2-CE2 3.68Å; Y497-Y501 HydrophobicContact CE2-CE2 3.68Å; Y497-Y501 AromaticContact CE2-CG 3.6Å; Y497-Y501 HydrophobicContact CE2-CG 3.6Å; Y497-Y501 AromaticContact CE2-CZ 3.73Å; Y497-Y501 VanDerWaalsContact O-CB 3.3Å; Y497-Y501 WeakPolarHBondContact O-CB 3.27Å; Y497-Y501 PolarHBondContact O-N 2.94Å; Y501-T503 PolarHBondContact O-N 3.29Å; Y501-G505 WeakPolarHBondContact O-CA 3.31Å; Y501-G505 PolarHBondContact O-N 3.34Å; Y501-W515 AromaticContact CD1-CH2 3.81Å; Y501-W515 HydrophobicContact CD1-CH2 3.81Å; Y501-W515 AromaticContact CD1-CZ2 3.53Å; Y501-W515 HydrophobicContact CD1-CZ2 3.53Å; Y501-W515 HydrophobicContact CD2-CH2 4.34Å; Y501-W515 HydrophobicContact CE1-CH2 4.25Å; Y501-W515 HydrophobicContact CE1-CZ2 4.3Å; Y501-W515 AromaticContact CG-CH2 3.88Å; Y501-W515 HydrophobicContact CG-CH2 3.88Å; Y501-W515 AromaticContact CG-CZ2 3.73Å; Y501-W515 HydrophobicContact CG-CZ2 3.73Å; Y501-W515 WeakPolarHBondContact O-CZ2 3.32Å
502A96.5Very high95.2Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-59.8-47.4177.400000111.5F22 F498 L499 C506F22-A502 HydrophobicContact CE1-CB 3.68Å; F22-A502 HydrophobicContact CZ-CB 3.7Å; F498-A502 WeakPolarHBondContact O-CB 3.24Å; F498-A502 PolarHBondContact O-N 3.17Å; L499-A502 PolarHBondContact O-N 2.61Å; A502-C506 WeakPolarHBondContact O-CB 3.39Å; A502-C506 PolarHBondContact O-N 2.92Å; A502-C506 VanDerWaalsContact O-N 3.1Å; A502-C506 PolarHBondContact O-SG 2.52Å
503T96.2Very high95.1Very high54 Ų5431.2 Ų31.233%0.33117%0.172SC..Hα-helixtrans-69.2-49.9-179.4-61.20000112.2L499 G500 Y501 G505 C506 I507L499-T503 WeakPolarHBondContact O-CB 3.24Å; L499-T503 PolarHBondContact O-N 3.46Å; L499-T503 PolarHBondContact O-OG1 3.38Å; L499-T503 VanDerWaalsContact O-OG1 3.07Å; G500-T503 PolarHBondContact O-N 2.75Å; Y501-T503 PolarHBondContact O-N 3.29Å; T503-G505 VanDerWaalsContact C-N 3.31Å; T503-G505 PolarHBondContact O-N 3Å; T503-C506 PolarHBondContact O-N 3.19Å; T503-I507 HydrophobicContact CG2-CD1 3.94Å; T503-I507 WeakPolarHBondContact O-CG1 3.3Å; T503-I507 PolarHBondContact O-N 3.32Å
504I96Very high94.6Very high81 Ų8130.1 Ų30.142%0.41517%0.173SC..Hα-helixtrans-62.3-42.6-179.4-65.3168.3000110.1G500 C506 I507 L508 W515G500-I504 VanDerWaalsContact O-CB 3.31Å; G500-I504 WeakPolarHBondContact O-CB 3.32Å; G500-I504 WeakPolarHBondContact O-CD1 3.4Å; G500-I504 WeakPolarHBondContact O-CG1 3.48Å; G500-I504 PolarHBondContact O-N 2.92Å; I504-C506 PolarHBondContact O-N 3.42Å; I504-I507 PolarHBondContact O-N 3.12Å; I504-L508 HydrophobicContact CG2-CD1 3.49Å; I504-L508 VanDerWaalsContact CG2-CD1 3.49Å; I504-L508 HydrophobicContact CG2-CG 3.96Å; I504-L508 WeakPolarHBondContact O-CG 3.39Å; I504-L508 PolarHBondContact O-N 2.84Å; I504-W515 HydrophobicContact CB-CH2 3.83Å; I504-W515 HydrophobicContact CB-CZ2 4.43Å; I504-W515 HydrophobicContact CB-CZ3 4.04Å; I504-W515 HydrophobicContact CG2-CE3 3.91Å; I504-W515 HydrophobicContact CG2-CH2 3.69Å; I504-W515 HydrophobicContact CG2-CZ3 3.34Å
505G95.5Very high94.2Very high0 Ų030.6 Ų30.60%017%0.173CC..Hα-helixtrans-59.8-44176.400000113.7Y501 T503 I507 L508 H509Y501-G505 WeakPolarHBondContact O-CA 3.31Å; Y501-G505 PolarHBondContact O-N 3.34Å; T503-G505 VanDerWaalsContact C-N 3.31Å; T503-G505 PolarHBondContact O-N 3Å; G505-I507 PolarHBondContact O-N 3.38Å; G505-L508 PolarHBondContact O-N 3.43Å; G505-H509 WeakPolarHBondContact O-CB 3.44Å; G505-H509 PolarHBondContact O-N 3.02Å
506C96.6Very high93Very high0 Ų031.8 Ų31.80%018%0.18CC..Hα-helixtrans-66.5-17175.4-74.70000114.1F22 I25 I26 A502 T503 I504 P510F22-C506 HydrophobicContact CD1-CB 4.48Å; I25-C506 HydrophobicContact CB-CB 4.37Å; I25-C506 HydrophobicContact CG2-CB 3.77Å; I26-C506 HydrophobicContact CD1-CB 4.45Å; I26-C506 HydrophobicContact CG1-CB 3.83Å; A502-C506 WeakPolarHBondContact O-CB 3.39Å; A502-C506 PolarHBondContact O-N 2.92Å; A502-C506 VanDerWaalsContact O-N 3.1Å; A502-C506 PolarHBondContact O-SG 2.52Å; T503-C506 PolarHBondContact O-N 3.19Å; I504-C506 PolarHBondContact O-N 3.42Å; C506-P510 WeakPolarHBondContact O-CD 3.38Å; C506-P510 VanDerWaalsContact O-CG 3.28Å; C506-P510 WeakPolarHBondContact O-CG 3.26Å
507I96.1Very high92.8Very high67 Ų6729.8 Ų29.834%0.34417%0.165SC..Hα-helixtrans-91.3-42.1176-66.8166.2000111.2I25 T503 I504 G505 N511I25-I507 HydrophobicContact CG2-CG1 3.8Å; T503-I507 HydrophobicContact CG2-CD1 3.94Å; T503-I507 WeakPolarHBondContact O-CG1 3.3Å; T503-I507 PolarHBondContact O-N 3.32Å; I504-I507 PolarHBondContact O-N 3.12Å; G505-I507 PolarHBondContact O-N 3.38Å; I507-N511 PolarHBondContact O-ND2 3.2Å
508L94.9Very high92.7Very high49 Ų4930.2 Ų30.226%0.25717%0.169SC..Hα-helixtrans-82.2-49.2-173-65-177.1000113I504 G505 P510 N511 L513 W515I504-L508 HydrophobicContact CG2-CD1 3.49Å; I504-L508 VanDerWaalsContact CG2-CD1 3.49Å; I504-L508 HydrophobicContact CG2-CG 3.96Å; I504-L508 WeakPolarHBondContact O-CG 3.39Å; I504-L508 PolarHBondContact O-N 2.84Å; G505-L508 PolarHBondContact O-N 3.43Å; L508-P510 VanDerWaalsContact C-CD 3.44Å; L508-N511 PolarHBondContact O-N 3.3Å; L508-N511 VanDerWaalsContact O-N 3.14Å; L508-L513 HydrophobicContact CB-CB 3.86Å; L508-L513 HydrophobicContact CD2-CB 4.14Å; L508-L513 HydrophobicContact CD2-CD1 3.49Å; L508-L513 VanDerWaalsContact CD2-CD1 3.49Å; L508-L513 HydrophobicContact CD2-CG 4.41Å; L508-L513 WeakPolarHBondContact O-CB 3.47Å; L508-L513 PolarHBondContact O-N 3.08Å; L508-W515 HydrophobicContact CB-CB 4.27Å; L508-W515 HydrophobicContact CD1-CE3 3.72Å; L508-W515 HydrophobicContact CD1-CZ3 4.22Å
509H94.7Very high92.4Very high0 Ų031.8 Ų31.80%018%0.178CC..G310 helixtrans-56.9-40.1-173.5173.7-82.7000114.3W65 V162 Y168 G505 N511 F512 W515W65-H509 AromaticContact CD1-CD2 3.69Å; W65-H509 AromaticContact CD1-NE2 3.68Å; V162-H509 HydrophobicContact CG1-CB 4.28Å; V162-H509 HydrophobicContact CG2-CB 3.66Å; Y168-H509 AromaticContact CE2-CE1 3.8Å; Y168-H509 AromaticContact CE2-NE2 3.5Å; Y168-H509 WeakPolarHBondContact CE2-NE2 3.36Å; Y168-H509 AromaticContact CZ-NE2 3.62Å; Y168-H509 PolarHBondContact OH-NE2 3.49Å; G505-H509 WeakPolarHBondContact O-CB 3.44Å; G505-H509 PolarHBondContact O-N 3.02Å; H509-N511 PolarHBondContact O-N 3.46Å; H509-F512 PolarHBondContact O-N 3.16Å; H509-W515 HydrophobicContact CB-CB 4.41Å
510P94.9Very high92.2Very high0 Ų031 Ų310%017%0.174CC..G310 helixtrans-62.3-16.2-179.9-26.538.3000115.1I26 K64 C506 L508I26-P510 HydrophobicContact CB-CG 4.19Å; I26-P510 HydrophobicContact CG1-CG 4.18Å; I26-P510 HydrophobicContact CG2-CB 4.35Å; I26-P510 HydrophobicContact CG2-CG 3.76Å; K64-P510 WeakPolarHBondContact CD-O 3.3Å; K64-P510 WeakPolarHBondContact CE-O 3.38Å; K64-P510 WeakPolarHBondContact CG-O 3.45Å; K64-P510 PolarHBondContact NZ-O 3.45Å; C506-P510 WeakPolarHBondContact O-CD 3.38Å; C506-P510 VanDerWaalsContact O-CG 3.28Å; C506-P510 WeakPolarHBondContact O-CG 3.26Å; L508-P510 VanDerWaalsContact C-CD 3.44Å
511N93.6Very high92Very high4 Ų431.3 Ų31.32%0.02117%0.168CC..G310 helixtrans-113.924.6-175.1-60.2-48.9000112.7S29 L32 D34 H35 I507 L508 H509 L513S29-N511 PolarHBondContact O-ND2 3.03Å; S29-N511 PolarHBondContact O-OD1 3.15Å; L32-N511 PolarHBondContact O-OD1 2.95Å; D34-N511 WeakPolarHBondContact OD1-CA 3.22Å; H35-N511 WeakPolarHBondContact CB-O 3.11Å; H35-N511 PolarHBondContact N-O 3.42Å; I507-N511 PolarHBondContact O-ND2 3.2Å; L508-N511 PolarHBondContact O-N 3.3Å; L508-N511 VanDerWaalsContact O-N 3.14Å; H509-N511 PolarHBondContact O-N 3.46Å; N511-L513 PolarHBondContact O-N 3.13Å; N511-L513 VanDerWaalsContact O-N 3.08Å
512F92.2Very high91.7Very high11 Ų1130.7 Ų30.75%0.04817%0.169CC..THydrogen-bonded Turntrans55.723.8-175.6-67.7-79.2000114.8D34 H35 A37 A39 K64 W65 I68 H509D34-F512 HydrophobicContact CB-CD2 3.97Å; H35-F512 HydrophobicContact CB-CB 4.4Å; H35-F512 PolarHBondContact CD2-O 2.93Å; A37-F512 HydrophobicContact CB-CB 3.84Å; A37-F512 HydrophobicContact CB-CD1 4.31Å; A37-F512 HydrophobicContact CB-CG 4.37Å; A39-F512 HydrophobicContact CB-CD1 4.34Å; A39-F512 HydrophobicContact CB-CE1 4.19Å; K64-F512 HydrophobicContact CB-CD1 4.5Å; K64-F512 HydrophobicContact CB-CE1 4.29Å; K64-F512 HydrophobicContact CB-CZ 4.5Å; K64-F512 HydrophobicContact CD-CD1 4.47Å; K64-F512 HydrophobicContact CD-CD2 3.73Å; K64-F512 HydrophobicContact CD-CE1 4.13Å; K64-F512 HydrophobicContact CD-CE2 3.32Å; K64-F512 HydrophobicContact CD-CG 4.29Å; K64-F512 HydrophobicContact CD-CZ 3.55Å; W65-F512 HydrophobicContact CD2-CD1 4.2Å; W65-F512 HydrophobicContact CG-CD1 4.33Å; W65-F512 HydrophobicContact CZ2-CB 4.41Å; W65-F512 WeakPolarHBondContact CZ2-O 3.16Å; I68-F512 HydrophobicContact CD1-CE1 4.04Å; I68-F512 HydrophobicContact CD1-CZ 3.91Å; H509-F512 PolarHBondContact O-N 3.16Å
513L90.5Very high91.4Very high59 Ų5932.9 Ų32.931%0.30918%0.181SC..  trans-78.7138.3169.6-69.9164000108.9H35 L508 N511 W515H35-L513 HydrophobicContact CB-CD2 3.83Å; H35-L513 HydrophobicContact CB-CG 4.14Å; L508-L513 HydrophobicContact CB-CB 3.86Å; L508-L513 HydrophobicContact CD2-CB 4.14Å; L508-L513 HydrophobicContact CD2-CD1 3.49Å; L508-L513 VanDerWaalsContact CD2-CD1 3.49Å; L508-L513 HydrophobicContact CD2-CG 4.41Å; L508-L513 WeakPolarHBondContact O-CB 3.47Å; L508-L513 PolarHBondContact O-N 3.08Å; N511-L513 PolarHBondContact O-N 3.13Å; N511-L513 VanDerWaalsContact O-N 3.08Å; L513-W515 PolarHBondContact O-N 3.19Å
514P83.4Confident91Very high86 Ų8631.3 Ų31.356%0.55817%0.169SC*.  trans-56.8115.5178.7-25.434000111.1
515W85.9Confident90.6Very high25 Ų2527.2 Ų27.210%0.09515%0.149CC..  trans-148.6132.7172.9-174.4-93.5000109.1L363 Y501 I504 L508 H509 L513L363-W515 HydrophobicContact CD1-CH2 4.41Å; L363-W515 HydrophobicContact CD1-CZ3 4.15Å; Y501-W515 AromaticContact CD1-CH2 3.81Å; Y501-W515 HydrophobicContact CD1-CH2 3.81Å; Y501-W515 AromaticContact CD1-CZ2 3.53Å; Y501-W515 HydrophobicContact CD1-CZ2 3.53Å; Y501-W515 HydrophobicContact CD2-CH2 4.34Å; Y501-W515 HydrophobicContact CE1-CH2 4.25Å; Y501-W515 HydrophobicContact CE1-CZ2 4.3Å; Y501-W515 AromaticContact CG-CH2 3.88Å; Y501-W515 HydrophobicContact CG-CH2 3.88Å; Y501-W515 AromaticContact CG-CZ2 3.73Å; Y501-W515 HydrophobicContact CG-CZ2 3.73Å; Y501-W515 WeakPolarHBondContact O-CZ2 3.32Å; I504-W515 HydrophobicContact CB-CH2 3.83Å; I504-W515 HydrophobicContact CB-CZ2 4.43Å; I504-W515 HydrophobicContact CB-CZ3 4.04Å; I504-W515 HydrophobicContact CG2-CE3 3.91Å; I504-W515 HydrophobicContact CG2-CH2 3.69Å; I504-W515 HydrophobicContact CG2-CZ3 3.34Å; L508-W515 HydrophobicContact CB-CB 4.27Å; L508-W515 HydrophobicContact CD1-CE3 3.72Å; L508-W515 HydrophobicContact CD1-CZ3 4.22Å; H509-W515 HydrophobicContact CB-CB 4.41Å; L513-W515 PolarHBondContact O-N 3.19Å
516T69.1Low90.2Very high25 Ų2529.6 Ų29.615%0.15316%0.162CC..  trans-136.90-16762.20000113.5F163 L363 Q422F163-T516 WeakPolarHBondContact CE2-OXT 3.34Å; F163-T516 WeakPolarHBondContact CZ-OXT 3.46Å; L363-T516 WeakPolarHBondContact CD2-OG1 3.48Å; Q422-T516 HydrophobicContact CB-CG2 3.55Å; Q422-T516 VanDerWaalsContact CB-OG1 3.28Å; Q422-T516 WeakPolarHBondContact CB-OG1 3.5Å; Q422-T516 HydrophobicContact CG-CG2 3.29Å; Q422-T516 CarbonylContact O-C 3.45Å; Q422-T516 WeakPolarHBondContact O-CB 3.3Å; Q422-T516 PolarHBondContact O-OG1 3.43Å; Q422-T516 VanDerWaalsContact O-OG1 3.11Å

Retrieved 516 of 516 residues in 258 ms (Link to these results)

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