A0A023GQ04_DROME Loading...

SR-related CTD associated factor 6, isoform E

AlphaFold DB , UniProt , Accession A0A023GQ04, Species DROME (Drosophila melanogaster, Fruit fly), Gene scaf6, Length 251 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
1M42.7Very low68.1Low231 Ų231100.1 Ų100.1100%1.13852%0.522SS*.  0122.10-70.6-173178.500106.5V3M1-V3 PolarHBondContact O-N 3.12Å
2D51.1Low69.5Low137 Ų137101.4 Ų101.473%0.73352%0.515SS*.  trans-75.3106.1-173-159-114.7000109.1Q4D2-Q4 VanDerWaalsContact C-N 3.35Å; D2-Q4 PolarHBondContact O-N 3.26Å; D2-Q4 VanDerWaalsContact O-N 3.12Å; D2-Q4 WeakPolarHBondContact OD1-CG 3.1Å; D2-Q4 PolarHBondContact OD1-NE2 3.29Å
3V59.2Low70.9Confident53 Ų53100.7 Ų100.732%0.32151%0.513SS..  trans-84.283.9179.9174.40000107.1M1 P5 Y54 F57M1-V3 PolarHBondContact O-N 3.12Å; V3-P5 WeakPolarHBondContact O-CD 3.37Å; V3-Y54 HydrophobicContact CG1-CD2 3.57Å; V3-Y54 HydrophobicContact CG1-CG 4.22Å; V3-F57 HydrophobicContact CG1-CB 4.24Å; V3-F57 HydrophobicContact CG1-CD1 4.2Å; V3-F57 HydrophobicContact CG1-CG 4.31Å; V3-F57 HydrophobicContact CG2-CB 4.5Å; V3-F57 HydrophobicContact CG2-CG 4.48Å
4Q60.8Low72.3Confident121 Ų12196.4 Ų96.457%0.56549%0.492SS*.PPolyproline II helixtrans-69.7120.7-178.2-68.5-153.1-8.300110.6D2D2-Q4 VanDerWaalsContact C-N 3.35Å; D2-Q4 PolarHBondContact O-N 3.26Å; D2-Q4 VanDerWaalsContact O-N 3.12Å; D2-Q4 WeakPolarHBondContact OD1-CG 3.1Å; D2-Q4 PolarHBondContact OD1-NE2 3.29Å
5P65.5Low73.4Confident66 Ų6690 Ų9043%0.42946%0.459SS..PPolyproline II helixtrans-65.8143.1172.626.9-31.6000109.2V3 R7 Y54V3-P5 WeakPolarHBondContact O-CD 3.37Å; P5-R7 PolarHBondContact O-N 3.36Å; P5-Y54 HydrophobicContact CB-CD2 4.37Å; P5-Y54 HydrophobicContact CB-CE2 3.89Å
6P70.5Confident74.4Confident8 Ų886.4 Ų86.45%0.05244%0.441CS..PPolyproline II helixtrans-54.1131.9173.9-1723.5000110.6D8 L11 R12 I15 F51 Y54P6-D8 PolarHBondContact O-N 3.17Å; P6-L11 HydrophobicContact CB-CB 4.35Å; P6-L11 HydrophobicContact CB-CD2 4.21Å; P6-L11 HydrophobicContact CB-CG 4.39Å; P6-R12 HydrophobicContact CB-CB 4.4Å; P6-R12 HydrophobicContact CG-CB 4.22Å; P6-I15 HydrophobicContact CG-CD1 3.72Å; P6-F51 HydrophobicContact CB-CD1 3.97Å; P6-F51 HydrophobicContact CB-CE1 3.77Å; P6-F51 HydrophobicContact CB-CZ 4.13Å; P6-F51 HydrophobicContact CG-CD1 3.62Å; P6-F51 HydrophobicContact CG-CE1 3.96Å; P6-F51 HydrophobicContact CG-CG 4.07Å; P6-Y54 HydrophobicContact CG-CD1 4.32Å
7R69.4Low75.4Confident241 Ų24189.7 Ų89.791%0.90945%0.451SS*.SBendtrans-63.1-25.2173-73.7-173.5-90.1-144.9-5.8112.1P5 A9P5-R7 PolarHBondContact O-N 3.36Å; R7-A9 PolarHBondContact O-N 3.46Å
8D80.3Confident76.2Confident87 Ų8785.5 Ų85.547%0.46543%0.43SS..  trans-82.2112.7176.2-164.1-70.2000110.8P6 S10 L11 R12P6-D8 PolarHBondContact O-N 3.17Å; D8-S10 PolarHBondContact O-N 3.16Å; D8-S10 WeakPolarHBondContact OD1-CA 3.46Å; D8-S10 VanDerWaalsContact OD1-CB 3.3Å; D8-S10 WeakPolarHBondContact OD1-CB 3.46Å; D8-S10 PolarHBondContact OD1-N 3.03Å; D8-S10 PolarHBondContact OD1-OG 3.18Å; D8-L11 HydrophobicContact CB-CB 4.02Å; D8-L11 PolarHBondContact O-N 3.47Å; D8-L11 PolarHBondContact OD1-N 3.49Å; D8-L11 VanDerWaalsContact OD1-N 3.15Å; D8-R12 PolarHBondContact O-N 3.01Å
9A81.9Confident77Confident68 Ų6881 Ų8156%0.56241%0.408SS*.Hα-helixtrans-60.9-31.5-179.500000112.5R7 N13R7-A9 PolarHBondContact O-N 3.46Å; A9-N13 WeakPolarHBondContact O-CB 3.23Å; A9-N13 PolarHBondContact O-N 3.35Å; A9-N13 VanDerWaalsContact O-N 3.08Å; A9-N13 PolarHBondContact O-ND2 2.87Å
10S83.3Confident77.7Confident58 Ų5882.8 Ų82.841%0.40642%0.415SS..Hα-helixtrans-72.2-41.6179.878.60000111.3D8 N13 I14D8-S10 PolarHBondContact O-N 3.16Å; D8-S10 WeakPolarHBondContact OD1-CA 3.46Å; D8-S10 VanDerWaalsContact OD1-CB 3.3Å; D8-S10 WeakPolarHBondContact OD1-CB 3.46Å; D8-S10 PolarHBondContact OD1-N 3.03Å; D8-S10 PolarHBondContact OD1-OG 3.18Å; S10-N13 PolarHBondContact O-N 3.07Å; S10-I14 WeakPolarHBondContact O-CD1 3.49Å; S10-I14 VanDerWaalsContact O-CG1 3.27Å; S10-I14 WeakPolarHBondContact O-CG1 3.5Å; S10-I14 PolarHBondContact O-N 2.98Å
11L84.2Confident78.3Confident31 Ų3183 Ų8316%0.16241%0.413CS..Hα-helixtrans-66-42.3176.9-171.861.4000111.3P6 D8 N13 I14 I15 K42 F45 F51P6-L11 HydrophobicContact CB-CB 4.35Å; P6-L11 HydrophobicContact CB-CD2 4.21Å; P6-L11 HydrophobicContact CB-CG 4.39Å; D8-L11 HydrophobicContact CB-CB 4.02Å; D8-L11 PolarHBondContact O-N 3.47Å; D8-L11 PolarHBondContact OD1-N 3.49Å; D8-L11 VanDerWaalsContact OD1-N 3.15Å; L11-N13 PolarHBondContact O-N 3.33Å; L11-I14 PolarHBondContact O-N 3.49Å; L11-I15 HydrophobicContact CD1-CD1 4.39Å; L11-I15 HydrophobicContact CG-CD1 3.94Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 2.95Å; L11-K42 WeakPolarHBondContact CD1-O 3.28Å; L11-F45 HydrophobicContact CD1-CD1 4.21Å; L11-F45 HydrophobicContact CD1-CE1 4.44Å; L11-F51 HydrophobicContact CD2-CD2 3.62Å; L11-F51 HydrophobicContact CD2-CE2 3.64Å; L11-F51 HydrophobicContact CD2-CG 4.39Å; L11-F51 HydrophobicContact CD2-CZ 4.45Å
12R85.6Confident80.6Confident116 Ų11672.1 Ų72.144%0.43836%0.359SS..Hα-helixtrans-57.9-47.3173.8179.4176.5174.8-178.10.3111.9P6 D8 I14 I15 D16P6-R12 HydrophobicContact CB-CB 4.4Å; P6-R12 HydrophobicContact CG-CB 4.22Å; D8-R12 PolarHBondContact O-N 3.01Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 3.47Å; R12-I15 PolarHBondContact O-N 2.94Å; R12-D16 WeakPolarHBondContact CG-OD2 3.42Å; R12-D16 IonicContact NE-OD2 2.8Å; R12-D16 WeakPolarHBondContact O-CB 3.42Å; R12-D16 VanDerWaalsContact O-CG 3.25Å; R12-D16 PolarHBondContact O-N 3Å
13N87.8Confident82.4Confident92 Ų9266.2 Ų66.249%0.49233%0.33SS..Hα-helixtrans-61.7-38.7177.7-87.5-82.7000112.6A9 S10 L11 K17A9-N13 WeakPolarHBondContact O-CB 3.23Å; A9-N13 PolarHBondContact O-N 3.35Å; A9-N13 VanDerWaalsContact O-N 3.08Å; A9-N13 PolarHBondContact O-ND2 2.87Å; S10-N13 PolarHBondContact O-N 3.07Å; L11-N13 PolarHBondContact O-N 3.33Å; N13-K17 VanDerWaalsContact O-CB 3.29Å; N13-K17 WeakPolarHBondContact O-CB 3.26Å; N13-K17 VanDerWaalsContact O-CG 3.3Å; N13-K17 WeakPolarHBondContact O-CG 3.43Å; N13-K17 PolarHBondContact O-N 3.33Å
14I89.3Confident83.8Confident41 Ų4173 Ų7321%0.2135%0.349CS..Hα-helixtrans-65.4-46176.6-67.5163.6000110.3S10 L11 R12 L18 K42 F43 F45S10-I14 WeakPolarHBondContact O-CD1 3.49Å; S10-I14 VanDerWaalsContact O-CG1 3.27Å; S10-I14 WeakPolarHBondContact O-CG1 3.5Å; S10-I14 PolarHBondContact O-N 2.98Å; L11-I14 PolarHBondContact O-N 3.49Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 3.47Å; I14-L18 VanDerWaalsContact O-CB 3.3Å; I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 PolarHBondContact O-N 2.9Å; I14-K42 HydrophobicContact CD1-CB 4.23Å; I14-K42 HydrophobicContact CD1-CD 3.88Å; I14-F43 HydrophobicContact CG2-CE1 4.07Å; I14-F43 HydrophobicContact CG2-CZ 4.07Å; I14-F45 HydrophobicContact CG2-CE1 4.18Å; I14-F45 HydrophobicContact CG2-CZ 4.42Å
15I89.8Confident85.1Confident0 Ų070.6 Ų70.60%034%0.341CS..Hα-helixtrans-62.9-46.4178.3-68163.8000110.8P6 L11 R12 L18 A19 F45 F51 Y54 Y55P6-I15 HydrophobicContact CG-CD1 3.72Å; L11-I15 HydrophobicContact CD1-CD1 4.39Å; L11-I15 HydrophobicContact CG-CD1 3.94Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 2.95Å; R12-I15 PolarHBondContact O-N 2.94Å; I15-L18 PolarHBondContact O-N 2.9Å; I15-A19 WeakPolarHBondContact O-CB 3.37Å; I15-A19 PolarHBondContact O-N 3.4Å; I15-F45 HydrophobicContact CB-CZ 4.37Å; I15-F45 HydrophobicContact CD1-CD1 4.11Å; I15-F45 HydrophobicContact CD1-CE1 4.37Å; I15-F45 HydrophobicContact CD1-CG 4.24Å; I15-F45 HydrophobicContact CG1-CD1 3.69Å; I15-F45 HydrophobicContact CG1-CD2 4.03Å; I15-F45 HydrophobicContact CG1-CE1 3.48Å; I15-F45 VanDerWaalsContact CG1-CE1 3.48Å; I15-F45 HydrophobicContact CG1-CE2 3.86Å; I15-F45 HydrophobicContact CG1-CG 3.96Å; I15-F45 HydrophobicContact CG1-CZ 3.58Å; I15-F51 HydrophobicContact CD1-CB 3.9Å; I15-F51 HydrophobicContact CD1-CG 4.46Å; I15-Y54 HydrophobicContact CB-CD1 4.4Å; I15-Y54 HydrophobicContact CB-CE1 4.31Å; I15-Y54 HydrophobicContact CD1-CD1 4.27Å; I15-Y54 HydrophobicContact CG2-CD1 3.61Å; I15-Y54 HydrophobicContact CG2-CE1 3.73Å; I15-Y55 HydrophobicContact CG2-CD2 4Å; I15-Y55 HydrophobicContact CG2-CG 4.39Å
16D89.1Confident86.1Confident32 Ų3268.4 Ų68.417%0.17133%0.33CS..Hα-helixtrans-64-44.8-179.7-70.8-23000111.2R12 A19 E20 Y54 R58R12-D16 WeakPolarHBondContact CG-OD2 3.42Å; R12-D16 IonicContact NE-OD2 2.8Å; R12-D16 WeakPolarHBondContact O-CB 3.42Å; R12-D16 VanDerWaalsContact O-CG 3.25Å; R12-D16 PolarHBondContact O-N 3Å; D16-A19 PolarHBondContact O-N 3.44Å; D16-E20 WeakPolarHBondContact O-CB 3.25Å; D16-E20 PolarHBondContact O-N 2.88Å; D16-Y54 PolarHBondContact OD1-OH 2.91Å; D16-R58 WeakPolarHBondContact OD1-CD 3.23Å; D16-R58 IonicContact OD1-CZ 2.83Å; D16-R58 IonicContact OD1-NE 3.43Å; D16-R58 PolarHBondContact OD1-NE 2.87Å; D16-R58 IonicContact OD1-NH2 3.41Å
17K90.8Very high86.9Confident143 Ų14372.4 Ų72.462%0.62236%0.356SS*.Hα-helixtrans-63.9-41.2176.2-78.4-178.6175.3-70.10112.6N13 F21N13-K17 VanDerWaalsContact O-CB 3.29Å; N13-K17 WeakPolarHBondContact O-CB 3.26Å; N13-K17 VanDerWaalsContact O-CG 3.3Å; N13-K17 WeakPolarHBondContact O-CG 3.43Å; N13-K17 PolarHBondContact O-N 3.33Å; K17-F21 VanDerWaalsContact O-CB 3.31Å; K17-F21 WeakPolarHBondContact O-CB 3.42Å; K17-F21 PolarHBondContact O-N 3.48Å
18L91.1Very high87.7Confident14 Ų1468.2 Ų68.27%0.07335%0.347CS..Hα-helixtrans-69.8-39.9178.5-174.960000111.2I14 I15 F21 V22 T33 F43 F45 L46 Y55I14-L18 VanDerWaalsContact O-CB 3.3Å; I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 PolarHBondContact O-N 2.9Å; I15-L18 PolarHBondContact O-N 2.9Å; L18-F21 PolarHBondContact O-N 2.91Å; L18-V22 HydrophobicContact CD1-CG2 4Å; L18-V22 HydrophobicContact CG-CG2 4.24Å; L18-V22 WeakPolarHBondContact O-CB 3.46Å; L18-V22 WeakPolarHBondContact O-CG2 3.29Å; L18-V22 PolarHBondContact O-N 3.44Å; L18-T33 HydrophobicContact CD1-CG2 3.83Å; L18-T33 HydrophobicContact CD2-CG2 4.13Å; L18-F43 HydrophobicContact CD2-CD1 4.1Å; L18-F43 HydrophobicContact CD2-CE1 4.09Å; L18-F45 HydrophobicContact CD2-CE2 3.98Å; L18-F45 HydrophobicContact CD2-CZ 3.79Å; L18-L46 HydrophobicContact CD2-CD1 3.82Å; L18-L46 HydrophobicContact CD2-CD2 3.71Å; L18-L46 HydrophobicContact CD2-CG 4.09Å; L18-Y55 HydrophobicContact CB-CE2 4.4Å; L18-Y55 HydrophobicContact CD2-CE2 4.14Å; L18-Y55 HydrophobicContact CG-CE2 4.03Å
19A90.3Very high88.2Confident0 Ų067.6 Ų67.60%034%0.34CS..Hα-helixtrans-62.4-44.1177.900000112.1I15 D16 F21 A23 Y55 R58 V59I15-A19 WeakPolarHBondContact O-CB 3.37Å; I15-A19 PolarHBondContact O-N 3.4Å; D16-A19 PolarHBondContact O-N 3.44Å; A19-F21 VanDerWaalsContact C-N 3.34Å; A19-A23 WeakPolarHBondContact O-CB 3.38Å; A19-A23 PolarHBondContact O-N 3.28Å; A19-Y55 HydrophobicContact CB-CD2 4.24Å; A19-Y55 HydrophobicContact CB-CE2 4.26Å; A19-R58 HydrophobicContact CB-CB 3.67Å; A19-V59 HydrophobicContact CB-CB 4.5Å; A19-V59 HydrophobicContact CB-CG2 3.65Å
20E90.9Very high88.6Confident117 Ų11767.1 Ų67.155%0.54733%0.326SS..Hα-helixtrans-59.5-45.8172.8-178.1-176.68300111.4D16 A23 R24D16-E20 WeakPolarHBondContact O-CB 3.25Å; D16-E20 PolarHBondContact O-N 2.88Å; E20-A23 PolarHBondContact O-N 3.38Å; E20-R24 WeakPolarHBondContact O-CB 3.36Å; E20-R24 PolarHBondContact O-N 3.28Å
21F90.9Very high88.8Confident88 Ų8867.2 Ų67.239%0.38633%0.33SS..Hα-helixtrans-65.1-44.5-178.5-174-101.5000112.5K17 L18 A19 R24 N25 F29K17-F21 VanDerWaalsContact O-CB 3.31Å; K17-F21 WeakPolarHBondContact O-CB 3.42Å; K17-F21 PolarHBondContact O-N 3.48Å; L18-F21 PolarHBondContact O-N 2.91Å; A19-F21 VanDerWaalsContact C-N 3.34Å; F21-R24 PolarHBondContact O-N 2.97Å; F21-N25 WeakPolarHBondContact CD2-ND2 3.38Å; F21-N25 WeakPolarHBondContact CE2-ND2 3.49Å; F21-N25 WeakPolarHBondContact O-CB 3.41Å; F21-N25 PolarHBondContact O-N 3.48Å; F21-N25 PolarHBondContact O-ND2 2.84Å; F21-F29 HydrophobicContact CD1-CB 4.3Å; F21-F29 HydrophobicContact CD1-CD1 4.42Å; F21-F29 HydrophobicContact CE1-CB 3.91Å; F21-F29 AromaticContact CE1-CD1 3.31Å; F21-F29 HydrophobicContact CE1-CD1 3.31Å; F21-F29 AromaticContact CE1-CE1 3.95Å; F21-F29 HydrophobicContact CE1-CE1 3.95Å; F21-F29 AromaticContact CE1-CG 3.8Å; F21-F29 HydrophobicContact CE1-CG 3.8Å; F21-F29 AromaticContact CZ-CD1 3.66Å; F21-F29 HydrophobicContact CZ-CD1 3.66Å; F21-F29 AromaticContact CZ-CE1 3.79Å; F21-F29 HydrophobicContact CZ-CE1 3.79Å; F21-F29 HydrophobicContact CZ-CG 4.35Å
22V91.8Very high89Confident1 Ų169.7 Ų69.71%0.00634%0.343CS..Hα-helixtrans-69.4-39.2177.4171.40000111.2L18 R24 G26 E30 V59L18-V22 HydrophobicContact CD1-CG2 4Å; L18-V22 HydrophobicContact CG-CG2 4.24Å; L18-V22 WeakPolarHBondContact O-CB 3.46Å; L18-V22 WeakPolarHBondContact O-CG2 3.29Å; L18-V22 PolarHBondContact O-N 3.44Å; V22-R24 VanDerWaalsContact C-N 3.27Å; V22-R24 PolarHBondContact O-N 3.28Å; V22-G26 CarbonylContact O-C 3.59Å; V22-G26 VanDerWaalsContact O-CA 3.25Å; V22-G26 WeakPolarHBondContact O-CA 3.24Å; V22-G26 PolarHBondContact O-N 2.97Å; V22-E30 HydrophobicContact CG1-CB 3.93Å; V22-E30 HydrophobicContact CG2-CB 3.91Å; V22-V59 HydrophobicContact CG1-CG1 4.27Å
23A88.5Confident89.1Confident13 Ų1365.3 Ų65.311%0.10733%0.329CS..Hα-helixtrans-63.7-33177.300000113.1A19 E20 E62 Q63A19-A23 WeakPolarHBondContact O-CB 3.38Å; A19-A23 PolarHBondContact O-N 3.28Å; E20-A23 PolarHBondContact O-N 3.38Å; A23-E62 HydrophobicContact CB-CB 3.55Å; A23-Q63 HydrophobicContact CB-CB 4.49Å; A23-Q63 HydrophobicContact CB-CG 3.6Å
24R87.6Confident89.2Confident195 Ų19564.2 Ų64.274%0.73632%0.32SS*.Hα-helixtrans-83.1-40.2-179.8-168175.3-179.6102.90.1113.5E20 F21 V22 L66E20-R24 WeakPolarHBondContact O-CB 3.36Å; E20-R24 PolarHBondContact O-N 3.28Å; F21-R24 PolarHBondContact O-N 2.97Å; V22-R24 VanDerWaalsContact C-N 3.27Å; V22-R24 PolarHBondContact O-N 3.28Å; R24-L66 HydrophobicContact CB-CD2 4.32Å; R24-L66 HydrophobicContact CG-CD2 4.39Å
25N88.5Confident89.1Confident72 Ų7269.3 Ų69.339%0.38534%0.343SS..Hα-helixtrans-99.5-10.7-173.9-60.3-84.7000113.6F21 F29F21-N25 WeakPolarHBondContact CD2-ND2 3.38Å; F21-N25 WeakPolarHBondContact CE2-ND2 3.49Å; F21-N25 WeakPolarHBondContact O-CB 3.41Å; F21-N25 PolarHBondContact O-N 3.48Å; F21-N25 PolarHBondContact O-ND2 2.84Å; N25-F29 HydrophobicContact CB-CB 4.45Å; N25-F29 HydrophobicContact CB-CD2 3.3Å; N25-F29 HydrophobicContact CB-CE2 3.53Å; N25-F29 HydrophobicContact CB-CG 3.9Å; N25-F29 HydrophobicContact CB-CZ 4.27Å
26G86.5Confident89.1Confident19 Ų1977.3 Ų77.320%0.19638%0.378CS..  trans98.2168.117900000114.4V22 E28 F29V22-G26 CarbonylContact O-C 3.59Å; V22-G26 VanDerWaalsContact O-CA 3.25Å; V22-G26 WeakPolarHBondContact O-CA 3.24Å; V22-G26 PolarHBondContact O-N 2.97Å; G26-E28 PolarHBondContact O-N 3.14Å; G26-F29 PolarHBondContact O-N 3.49Å
27P86.4Confident89Confident92 Ų9279.1 Ų79.160%0.59739%0.385SS*.THydrogen-bonded Turntrans-66.8-17.1-174.427.2-35.3000114.1F29 E30 A31P27-F29 PolarHBondContact O-N 3.32Å; P27-E30 VanDerWaalsContact O-CB 3.28Å; P27-E30 WeakPolarHBondContact O-CB 3.28Å; P27-E30 PolarHBondContact O-N 2.89Å; P27-E30 VanDerWaalsContact O-N 3.1Å; P27-A31 PolarHBondContact O-N 2.92Å
28E88Confident88.7Confident153 Ų15378.3 Ų78.372%0.71538%0.383SS*.Hα-helixtrans-60.5-35.3174.4-71179.277.300112G26 E30 A31 I32G26-E28 PolarHBondContact O-N 3.14Å; E28-E30 VanDerWaalsContact C-N 3.29Å; E28-E30 PolarHBondContact O-N 3.02Å; E28-A31 PolarHBondContact O-N 3.4Å; E28-I32 WeakPolarHBondContact O-CG1 3.5Å; E28-I32 PolarHBondContact O-N 3.19Å; E28-I32 VanDerWaalsContact O-N 3.08Å
29F89.7Confident88.3Confident75 Ų7584.6 Ų84.633%0.32942%0.417SS..Hα-helixtrans-70.7-26.1176.6-83.6-87000113.2F21 N25 G26 P27 T33F21-F29 HydrophobicContact CD1-CB 4.3Å; F21-F29 HydrophobicContact CD1-CD1 4.42Å; F21-F29 HydrophobicContact CE1-CB 3.91Å; F21-F29 AromaticContact CE1-CD1 3.31Å; F21-F29 HydrophobicContact CE1-CD1 3.31Å; F21-F29 AromaticContact CE1-CE1 3.95Å; F21-F29 HydrophobicContact CE1-CE1 3.95Å; F21-F29 AromaticContact CE1-CG 3.8Å; F21-F29 HydrophobicContact CE1-CG 3.8Å; F21-F29 AromaticContact CZ-CD1 3.66Å; F21-F29 HydrophobicContact CZ-CD1 3.66Å; F21-F29 AromaticContact CZ-CE1 3.79Å; F21-F29 HydrophobicContact CZ-CE1 3.79Å; F21-F29 HydrophobicContact CZ-CG 4.35Å; N25-F29 HydrophobicContact CB-CB 4.45Å; N25-F29 HydrophobicContact CB-CD2 3.3Å; N25-F29 HydrophobicContact CB-CE2 3.53Å; N25-F29 HydrophobicContact CB-CG 3.9Å; N25-F29 HydrophobicContact CB-CZ 4.27Å; G26-F29 PolarHBondContact O-N 3.49Å; P27-F29 PolarHBondContact O-N 3.32Å; F29-T33 VanDerWaalsContact O-CB 3.32Å; F29-T33 WeakPolarHBondContact O-CB 3.38Å; F29-T33 PolarHBondContact O-N 3.18Å; F29-T33 PolarHBondContact O-OG1 2.94Å
30E90.1Very high88Confident57 Ų5787 Ų8727%0.26643%0.43SS..Hα-helixtrans-64.2-47.9169.8-175-178.7109.700110.2V22 P27 E28 I32 T33 K34 L46 Y55V22-E30 HydrophobicContact CG1-CB 3.93Å; V22-E30 HydrophobicContact CG2-CB 3.91Å; P27-E30 VanDerWaalsContact O-CB 3.28Å; P27-E30 WeakPolarHBondContact O-CB 3.28Å; P27-E30 PolarHBondContact O-N 2.89Å; P27-E30 VanDerWaalsContact O-N 3.1Å; E28-E30 VanDerWaalsContact C-N 3.29Å; E28-E30 PolarHBondContact O-N 3.02Å; E30-I32 VanDerWaalsContact C-N 3.35Å; E30-I32 PolarHBondContact O-N 3.07Å; E30-T33 PolarHBondContact O-N 2.94Å; E30-K34 WeakPolarHBondContact O-CB 3.45Å; E30-K34 PolarHBondContact O-N 3.42Å; E30-L46 HydrophobicContact CG-CD2 4.27Å; E30-Y55 HydrophobicContact CG-CE1 4.5Å; E30-Y55 WeakPolarHBondContact CG-OH 3.37Å; E30-Y55 WeakPolarHBondContact OE2-CE1 3.43Å; E30-Y55 VanDerWaalsContact OE2-CZ 3.3Å; E30-Y55 PolarHBondContact OE2-OH 2.9Å
31A88.4Confident87.6Confident60 Ų6086.1 Ų86.150%0.49644%0.435SS..Hα-helixtrans-61.1-41.9179.700000112.3P27 E28 K34 Q35P27-A31 PolarHBondContact O-N 2.92Å; E28-A31 PolarHBondContact O-N 3.4Å; A31-K34 PolarHBondContact O-N 3.38Å; A31-Q35 PolarHBondContact O-N 2.91Å
32I88.8Confident87.1Confident84 Ų8487 Ų8743%0.43144%0.438SS..Hα-helixtrans-64.5-45.9176.1-64.9165.5000111.1E28 E30 K34 Q35 K36E28-I32 WeakPolarHBondContact O-CG1 3.5Å; E28-I32 PolarHBondContact O-N 3.19Å; E28-I32 VanDerWaalsContact O-N 3.08Å; E30-I32 VanDerWaalsContact C-N 3.35Å; E30-I32 PolarHBondContact O-N 3.07Å; I32-K34 VanDerWaalsContact C-N 3.33Å; I32-Q35 PolarHBondContact O-N 3.44Å; I32-K36 HydrophobicContact CG2-CD 4.44Å; I32-K36 WeakPolarHBondContact O-CB 3.42Å; I32-K36 PolarHBondContact O-N 3.38Å
33T87.9Confident86.8Confident24 Ų2488.4 Ų88.415%0.14744%0.444CS..Hα-helixtrans-64.8-41.4180-56.70000110.8L18 F29 E30 K36 Q37 F43 L46L18-T33 HydrophobicContact CD1-CG2 3.83Å; L18-T33 HydrophobicContact CD2-CG2 4.13Å; F29-T33 VanDerWaalsContact O-CB 3.32Å; F29-T33 WeakPolarHBondContact O-CB 3.38Å; F29-T33 PolarHBondContact O-N 3.18Å; F29-T33 PolarHBondContact O-OG1 2.94Å; E30-T33 PolarHBondContact O-N 2.94Å; T33-K36 PolarHBondContact O-N 2.96Å; T33-Q37 HydrophobicContact CG2-CG 4.23Å; T33-Q37 VanDerWaalsContact O-CB 3.31Å; T33-Q37 WeakPolarHBondContact O-CB 3.39Å; T33-Q37 WeakPolarHBondContact O-CG 3.26Å; T33-Q37 PolarHBondContact O-N 3.28Å; T33-F43 HydrophobicContact CG2-CD1 4.12Å; T33-F43 HydrophobicContact CG2-CE1 3.94Å; T33-L46 HydrophobicContact CG2-CD1 4.17Å
34K88.8Confident86.6Confident68 Ų6893.9 Ų93.930%0.29647%0.468SS..Hα-helixtrans-55.5-58.4174.3-168.1165.6178.8163.40109E30 A31 I32 K36 Q37 Q38 L46 Y47E30-K34 WeakPolarHBondContact O-CB 3.45Å; E30-K34 PolarHBondContact O-N 3.42Å; A31-K34 PolarHBondContact O-N 3.38Å; I32-K34 VanDerWaalsContact C-N 3.33Å; K34-K36 PolarHBondContact O-N 3.33Å; K34-Q37 CarbonylContact O-C 3.52Å; K34-Q37 PolarHBondContact O-N 3.39Å; K34-Q38 PolarHBondContact O-N 2.93Å; K34-Q38 VanDerWaalsContact O-N 3.08Å; K34-L46 HydrophobicContact CB-CD1 4.33Å; K34-L46 HydrophobicContact CD-CB 4.45Å; K34-L46 VanDerWaalsContact CE-O 3.23Å; K34-L46 WeakPolarHBondContact CE-O 3.24Å; K34-L46 HydrophobicContact CG-CB 4.33Å; K34-L46 PolarHBondContact NZ-O 3.4Å; K34-Y47 HydrophobicContact CD-CD1 4.4Å; K34-Y47 HydrophobicContact CD-CE1 4.08Å; K34-Y47 VanDerWaalsContact CE-CE1 3.42Å; K34-Y47 HydrophobicContact CG-CD1 4.16Å; K34-Y47 HydrophobicContact CG-CD2 4.42Å; K34-Y47 HydrophobicContact CG-CE1 3.47Å; K34-Y47 VanDerWaalsContact CG-CE1 3.47Å; K34-Y47 HydrophobicContact CG-CE2 3.76Å; K34-Y47 VanDerWaalsContact CG-OH 3.29Å; K34-Y47 WeakPolarHBondContact CG-OH 3.38Å; K34-Y47 PolarHBondContact O-OH 3.46Å
35Q88.1Confident86.6Confident148 Ų14885 Ų8569%0.69244%0.435SS*.Hα-helixtrans-57.5-43.1-179.8-175.1177.5-16.700113.6A31 I32A31-Q35 PolarHBondContact O-N 2.91Å; I32-Q35 PolarHBondContact O-N 3.44Å
36K88.1Confident86.5Confident169 Ų16982.1 Ų82.174%0.73542%0.419SS*.Hα-helixtrans-69.5-32.6-179.8-83.6-171.3163-171.70113.5I32 T33 K34I32-K36 HydrophobicContact CG2-CD 4.44Å; I32-K36 WeakPolarHBondContact O-CB 3.42Å; I32-K36 PolarHBondContact O-N 3.38Å; T33-K36 PolarHBondContact O-N 2.96Å; K34-K36 PolarHBondContact O-N 3.33Å
37Q88.1Confident86.3Confident70 Ų7086.2 Ų86.233%0.32743%0.429SS..THydrogen-bonded Turntrans-109.119.7-172.7-57.7-7140.600113.3T33 K34 N39 N40 F43T33-Q37 HydrophobicContact CG2-CG 4.23Å; T33-Q37 VanDerWaalsContact O-CB 3.31Å; T33-Q37 WeakPolarHBondContact O-CB 3.39Å; T33-Q37 WeakPolarHBondContact O-CG 3.26Å; T33-Q37 PolarHBondContact O-N 3.28Å; K34-Q37 CarbonylContact O-C 3.52Å; K34-Q37 PolarHBondContact O-N 3.39Å; Q37-N39 PolarHBondContact O-N 2.73Å; Q37-N39 VanDerWaalsContact O-N 3.11Å; Q37-N40 HydrophobicContact CB-CB 4.36Å; Q37-N40 WeakPolarHBondContact O-CB 3.3Å; Q37-N40 PolarHBondContact O-N 2.88Å; Q37-F43 HydrophobicContact CB-CB 3.88Å; Q37-F43 HydrophobicContact CB-CD1 4.18Å; Q37-F43 HydrophobicContact CB-CD2 3.69Å; Q37-F43 HydrophobicContact CB-CE2 4.24Å; Q37-F43 HydrophobicContact CB-CG 3.65Å; Q37-F43 HydrophobicContact CG-CD1 4.28Å; Q37-F43 HydrophobicContact CG-CD2 3.9Å; Q37-F43 HydrophobicContact CG-CE1 4.3Å; Q37-F43 HydrophobicContact CG-CE2 3.92Å; Q37-F43 HydrophobicContact CG-CG 4.08Å; Q37-F43 HydrophobicContact CG-CZ 4.12Å
38Q83.5Confident86Confident125 Ų12583.2 Ų83.258%0.58442%0.415SS*.THydrogen-bonded Turntrans-58.5-25.8-177.374.4-175.9-25.100114.4K34 Y47K34-Q38 PolarHBondContact O-N 2.93Å; K34-Q38 VanDerWaalsContact O-N 3.08Å; Q38-Y47 VanDerWaalsContact CA-OH 3.29Å; Q38-Y47 WeakPolarHBondContact CA-OH 3.46Å; Q38-Y47 HydrophobicContact CB-CE2 4.36Å; Q38-Y47 WeakPolarHBondContact CB-OH 3.09Å
39N83.1Confident85.6Confident147 Ų14778.6 Ų78.679%0.78641%0.409SS*.THydrogen-bonded Turntrans-966179.6-59.994.4000113.3Q37Q37-N39 PolarHBondContact O-N 2.73Å; Q37-N39 VanDerWaalsContact O-N 3.11Å
40N84.4Confident84.9Confident49 Ų4982 Ų8226%0.26243%0.426SS..  trans-105.5115.1-175.6-169.3-22.4000110.7Q37 K42 F43Q37-N40 HydrophobicContact CB-CB 4.36Å; Q37-N40 WeakPolarHBondContact O-CB 3.3Å; Q37-N40 PolarHBondContact O-N 2.88Å; N40-K42 PolarHBondContact O-N 3.06Å; N40-K42 VanDerWaalsContact O-N 3.07Å; N40-K42 VanDerWaalsContact OD1-CB 3.32Å; N40-K42 WeakPolarHBondContact OD1-CB 3.11Å; N40-K42 PolarHBondContact OD1-N 3.37Å; N40-F43 HydrophobicContact CB-CD2 3.94Å; N40-F43 PolarHBondContact O-N 3.18Å
41P82.7Confident84.4Confident100 Ų10081.6 Ų81.665%0.64942%0.423SS*.G310 helixtrans-62.7-20.2-17925.5-34.3000112.7F43 E44P41-F43 PolarHBondContact O-N 3.39Å; P41-E44 WeakPolarHBondContact O-CB 3.12Å; P41-E44 PolarHBondContact O-N 3.01Å
42K80.3Confident84.2Confident107 Ų10779.4 Ų79.447%0.46541%0.405SS..G310 helixtrans-68.9-18.3174.2-61-169.2174.9-161.10113.5L11 I14 N40 F45L11-K42 WeakPolarHBondContact CD1-O 3.28Å; I14-K42 HydrophobicContact CD1-CB 4.23Å; I14-K42 HydrophobicContact CD1-CD 3.88Å; N40-K42 PolarHBondContact O-N 3.06Å; N40-K42 VanDerWaalsContact O-N 3.07Å; N40-K42 VanDerWaalsContact OD1-CB 3.32Å; N40-K42 WeakPolarHBondContact OD1-CB 3.11Å; N40-K42 PolarHBondContact OD1-N 3.37Å; K42-F45 VanDerWaalsContact O-CD1 3.31Å; K42-F45 WeakPolarHBondContact O-CD1 3.39Å; K42-F45 WeakPolarHBondContact O-CE1 3.14Å
43F85.8Confident84Confident29 Ų2980.5 Ų80.513%0.12741%0.412CS..G310 helixtrans-109.610.6178.4-69.3-91.7000112.4I14 L18 T33 Q37 N40 P41 F45 L46I14-F43 HydrophobicContact CG2-CE1 4.07Å; I14-F43 HydrophobicContact CG2-CZ 4.07Å; L18-F43 HydrophobicContact CD2-CD1 4.1Å; L18-F43 HydrophobicContact CD2-CE1 4.09Å; T33-F43 HydrophobicContact CG2-CD1 4.12Å; T33-F43 HydrophobicContact CG2-CE1 3.94Å; Q37-F43 HydrophobicContact CB-CB 3.88Å; Q37-F43 HydrophobicContact CB-CD1 4.18Å; Q37-F43 HydrophobicContact CB-CD2 3.69Å; Q37-F43 HydrophobicContact CB-CE2 4.24Å; Q37-F43 HydrophobicContact CB-CG 3.65Å; Q37-F43 HydrophobicContact CG-CD1 4.28Å; Q37-F43 HydrophobicContact CG-CD2 3.9Å; Q37-F43 HydrophobicContact CG-CE1 4.3Å; Q37-F43 HydrophobicContact CG-CE2 3.92Å; Q37-F43 HydrophobicContact CG-CG 4.08Å; Q37-F43 HydrophobicContact CG-CZ 4.12Å; N40-F43 HydrophobicContact CB-CD2 3.94Å; N40-F43 PolarHBondContact O-N 3.18Å; P41-F43 PolarHBondContact O-N 3.39Å; F43-F45 HydrophobicContact CD1-CE1 4.48Å; F43-F45 HydrophobicContact CD1-CZ 4.38Å; F43-F45 PolarHBondContact O-N 3.42Å; F43-F45 VanDerWaalsContact O-N 3.15Å; F43-L46 HydrophobicContact CB-CD1 4.22Å; F43-L46 HydrophobicContact CD1-CD1 3.93Å; F43-L46 WeakPolarHBondContact O-CB 3.33Å; F43-L46 PolarHBondContact O-N 2.94Å
44E85Confident83.8Confident128 Ų12880.1 Ų80.160%0.59841%0.408SS*.G310 helixtrans-58.8-29.3-180-167.1174.592.700112P41 L46 Y47 G48P41-E44 WeakPolarHBondContact O-CB 3.12Å; P41-E44 PolarHBondContact O-N 3.01Å; E44-L46 PolarHBondContact O-N 2.92Å; E44-Y47 WeakPolarHBondContact O-CA 3.48Å; E44-Y47 WeakPolarHBondContact O-CB 3.49Å; E44-Y47 PolarHBondContact O-N 3.33Å; E44-G48 PolarHBondContact O-N 3.04Å; E44-G48 VanDerWaalsContact O-O 3.08Å
45F86.1Confident83.8Confident10 Ų1077.2 Ų77.24%0.04440%0.395CS..G310 helixtrans-57.9-21174.870.6-98.8000114.3L11 I14 I15 L18 K42 F43 Y47 G48 F51 A52 Y55L11-F45 HydrophobicContact CD1-CD1 4.21Å; L11-F45 HydrophobicContact CD1-CE1 4.44Å; I14-F45 HydrophobicContact CG2-CE1 4.18Å; I14-F45 HydrophobicContact CG2-CZ 4.42Å; I15-F45 HydrophobicContact CB-CZ 4.37Å; I15-F45 HydrophobicContact CD1-CD1 4.11Å; I15-F45 HydrophobicContact CD1-CE1 4.37Å; I15-F45 HydrophobicContact CD1-CG 4.24Å; I15-F45 HydrophobicContact CG1-CD1 3.69Å; I15-F45 HydrophobicContact CG1-CD2 4.03Å; I15-F45 HydrophobicContact CG1-CE1 3.48Å; I15-F45 VanDerWaalsContact CG1-CE1 3.48Å; I15-F45 HydrophobicContact CG1-CE2 3.86Å; I15-F45 HydrophobicContact CG1-CG 3.96Å; I15-F45 HydrophobicContact CG1-CZ 3.58Å; L18-F45 HydrophobicContact CD2-CE2 3.98Å; L18-F45 HydrophobicContact CD2-CZ 3.79Å; K42-F45 VanDerWaalsContact O-CD1 3.31Å; K42-F45 WeakPolarHBondContact O-CD1 3.39Å; K42-F45 WeakPolarHBondContact O-CE1 3.14Å; F43-F45 HydrophobicContact CD1-CE1 4.48Å; F43-F45 HydrophobicContact CD1-CZ 4.38Å; F43-F45 PolarHBondContact O-N 3.42Å; F43-F45 VanDerWaalsContact O-N 3.15Å; F45-Y47 VanDerWaalsContact C-N 3.31Å; F45-G48 VanDerWaalsContact CA-O 3.3Å; F45-G48 WeakPolarHBondContact CA-O 3.42Å; F45-F51 HydrophobicContact CB-CB 4.04Å; F45-A52 WeakPolarHBondContact O-CB 3.45Å; F45-Y55 HydrophobicContact CD2-CD1 4.26Å; F45-Y55 HydrophobicContact CD2-CD2 4.14Å; F45-Y55 AromaticContact CD2-CG 3.78Å; F45-Y55 HydrophobicContact CD2-CG 3.78Å; F45-Y55 HydrophobicContact CE2-CD1 4.34Å; F45-Y55 AromaticContact CE2-CD2 3.59Å; F45-Y55 HydrophobicContact CE2-CD2 3.59Å; F45-Y55 HydrophobicContact CE2-CE2 4.07Å; F45-Y55 AromaticContact CE2-CG 3.73Å; F45-Y55 HydrophobicContact CE2-CG 3.73Å
46L86Confident83.7Confident10 Ų1075.8 Ų75.85%0.05239%0.388CS..G310 helixtrans-75.5-21.6174.1-67.1179.7000113.1L18 E30 T33 K34 F43 E44 Y55L18-L46 HydrophobicContact CD2-CD1 3.82Å; L18-L46 HydrophobicContact CD2-CD2 3.71Å; L18-L46 HydrophobicContact CD2-CG 4.09Å; E30-L46 HydrophobicContact CG-CD2 4.27Å; T33-L46 HydrophobicContact CG2-CD1 4.17Å; K34-L46 HydrophobicContact CB-CD1 4.33Å; K34-L46 HydrophobicContact CD-CB 4.45Å; K34-L46 VanDerWaalsContact CE-O 3.23Å; K34-L46 WeakPolarHBondContact CE-O 3.24Å; K34-L46 HydrophobicContact CG-CB 4.33Å; K34-L46 PolarHBondContact NZ-O 3.4Å; F43-L46 HydrophobicContact CB-CD1 4.22Å; F43-L46 HydrophobicContact CD1-CD1 3.93Å; F43-L46 WeakPolarHBondContact O-CB 3.33Å; F43-L46 PolarHBondContact O-N 2.94Å; E44-L46 PolarHBondContact O-N 2.92Å; L46-Y55 HydrophobicContact CD2-CD1 4.11Å; L46-Y55 HydrophobicContact CD2-CE1 3.59Å; L46-Y55 HydrophobicContact CD2-CE2 4.13Å
47Y83.6Confident83.7Confident105 Ų10573.4 Ų73.441%0.41238%0.378SS..THydrogen-bonded Turntrans-99.2-13.1-178.8-67.2-84.6000112.6K34 Q38 E44 F45K34-Y47 HydrophobicContact CD-CD1 4.4Å; K34-Y47 HydrophobicContact CD-CE1 4.08Å; K34-Y47 VanDerWaalsContact CE-CE1 3.42Å; K34-Y47 HydrophobicContact CG-CD1 4.16Å; K34-Y47 HydrophobicContact CG-CD2 4.42Å; K34-Y47 HydrophobicContact CG-CE1 3.47Å; K34-Y47 VanDerWaalsContact CG-CE1 3.47Å; K34-Y47 HydrophobicContact CG-CE2 3.76Å; K34-Y47 VanDerWaalsContact CG-OH 3.29Å; K34-Y47 WeakPolarHBondContact CG-OH 3.38Å; K34-Y47 PolarHBondContact O-OH 3.46Å; Q38-Y47 VanDerWaalsContact CA-OH 3.29Å; Q38-Y47 WeakPolarHBondContact CA-OH 3.46Å; Q38-Y47 HydrophobicContact CB-CE2 4.36Å; Q38-Y47 WeakPolarHBondContact CB-OH 3.09Å; E44-Y47 WeakPolarHBondContact O-CA 3.48Å; E44-Y47 WeakPolarHBondContact O-CB 3.49Å; E44-Y47 PolarHBondContact O-N 3.33Å; F45-Y47 VanDerWaalsContact C-N 3.31Å
48G79.8Confident83.7Confident29 Ų2972.4 Ų72.430%0.29937%0.371SS..SBendtrans142.4-166.6-179.600000110.9E44 F45E44-G48 PolarHBondContact O-N 3.04Å; E44-G48 VanDerWaalsContact O-O 3.08Å; F45-G48 VanDerWaalsContact CA-O 3.3Å; F45-G48 WeakPolarHBondContact CA-O 3.42Å
49G79.1Confident84Confident57 Ų5767 Ų6759%0.58835%0.347SS*.SBendtrans96.6-174.2175.900000114.8F51 A52G49-F51 VanDerWaalsContact C-N 3.27Å; G49-F51 PolarHBondContact O-N 2.86Å; G49-A52 WeakPolarHBondContact O-CB 3.47Å; G49-A52 PolarHBondContact O-N 2.92Å
50E76.2Confident84.2Confident147 Ų14762.7 Ų62.769%0.68733%0.331SS*.THydrogen-bonded Turntrans-61.6-32.9-167.9-162.3177.499.700113
51F79.7Confident84.3Confident48 Ų4862 Ų6221%0.21133%0.332CS..THydrogen-bonded Turntrans-97.8-0.2-175.8-52.1-61000114.7P6 L11 I15 F45 G49 N53 Y54 Y55P6-F51 HydrophobicContact CB-CD1 3.97Å; P6-F51 HydrophobicContact CB-CE1 3.77Å; P6-F51 HydrophobicContact CB-CZ 4.13Å; P6-F51 HydrophobicContact CG-CD1 3.62Å; P6-F51 HydrophobicContact CG-CE1 3.96Å; P6-F51 HydrophobicContact CG-CG 4.07Å; L11-F51 HydrophobicContact CD2-CD2 3.62Å; L11-F51 HydrophobicContact CD2-CE2 3.64Å; L11-F51 HydrophobicContact CD2-CG 4.39Å; L11-F51 HydrophobicContact CD2-CZ 4.45Å; I15-F51 HydrophobicContact CD1-CB 3.9Å; I15-F51 HydrophobicContact CD1-CG 4.46Å; F45-F51 HydrophobicContact CB-CB 4.04Å; G49-F51 VanDerWaalsContact C-N 3.27Å; G49-F51 PolarHBondContact O-N 2.86Å; F51-N53 VanDerWaalsContact C-N 3.25Å; F51-N53 PolarHBondContact O-N 3.37Å; F51-Y54 PolarHBondContact O-N 2.8Å; F51-Y55 PolarHBondContact O-N 3.25Å
52A83.5Confident84.6Confident14 Ų1458.6 Ų58.612%0.11631%0.308CS..Hα-helixtrans-62.1-35177.200000111.9F45 G49 Q56F45-A52 WeakPolarHBondContact O-CB 3.45Å; G49-A52 WeakPolarHBondContact O-CB 3.47Å; G49-A52 PolarHBondContact O-N 2.92Å; A52-Q56 WeakPolarHBondContact O-CB 3.23Å; A52-Q56 WeakPolarHBondContact O-CG 3.32Å; A52-Q56 PolarHBondContact O-N 3.24Å; A52-Q56 PolarHBondContact O-NE2 2.92Å
53N84.1Confident84.8Confident106 Ų10657.4 Ų57.457%0.56730%0.304SS*.Hα-helixtrans-69.3-40.1175.6-68.5-63.7000112F51 F57F51-N53 VanDerWaalsContact C-N 3.25Å; F51-N53 PolarHBondContact O-N 3.37Å; N53-F57 WeakPolarHBondContact O-CB 3.44Å; N53-F57 PolarHBondContact O-N 2.81Å
54Y84.8Confident84.7Confident17 Ų1758.8 Ų58.87%0.06732%0.321CS..Hα-helixtrans-64.2-45.5175.7178.6-93.8000110.9V3 P5 P6 I15 D16 F51 F57 R58V3-Y54 HydrophobicContact CG1-CD2 3.57Å; V3-Y54 HydrophobicContact CG1-CG 4.22Å; P5-Y54 HydrophobicContact CB-CD2 4.37Å; P5-Y54 HydrophobicContact CB-CE2 3.89Å; P6-Y54 HydrophobicContact CG-CD1 4.32Å; I15-Y54 HydrophobicContact CB-CD1 4.4Å; I15-Y54 HydrophobicContact CB-CE1 4.31Å; I15-Y54 HydrophobicContact CD1-CD1 4.27Å; I15-Y54 HydrophobicContact CG2-CD1 3.61Å; I15-Y54 HydrophobicContact CG2-CE1 3.73Å; D16-Y54 PolarHBondContact OD1-OH 2.91Å; F51-Y54 PolarHBondContact O-N 2.8Å; Y54-F57 PolarHBondContact O-N 2.71Å; Y54-R58 HydrophobicContact CD1-CG 4.17Å; Y54-R58 HydrophobicContact CE1-CG 3.72Å; Y54-R58 HydrophobicContact CE2-CG 4.25Å; Y54-R58 WeakPolarHBondContact O-CB 3.41Å; Y54-R58 VanDerWaalsContact O-CG 3.27Å; Y54-R58 WeakPolarHBondContact O-CG 3.11Å; Y54-R58 PolarHBondContact O-N 2.85Å
55Y87.6Confident84.6Confident7 Ų756.9 Ų56.93%0.02731%0.314CS..Hα-helixtrans-59.8-49.4175.2169.3-108.1000112.5I15 L18 A19 E30 F45 L46 F51 F57 R58 V59I15-Y55 HydrophobicContact CG2-CD2 4Å; I15-Y55 HydrophobicContact CG2-CG 4.39Å; L18-Y55 HydrophobicContact CB-CE2 4.4Å; L18-Y55 HydrophobicContact CD2-CE2 4.14Å; L18-Y55 HydrophobicContact CG-CE2 4.03Å; A19-Y55 HydrophobicContact CB-CD2 4.24Å; A19-Y55 HydrophobicContact CB-CE2 4.26Å; E30-Y55 HydrophobicContact CG-CE1 4.5Å; E30-Y55 WeakPolarHBondContact CG-OH 3.37Å; E30-Y55 WeakPolarHBondContact OE2-CE1 3.43Å; E30-Y55 VanDerWaalsContact OE2-CZ 3.3Å; E30-Y55 PolarHBondContact OE2-OH 2.9Å; F45-Y55 HydrophobicContact CD2-CD1 4.26Å; F45-Y55 HydrophobicContact CD2-CD2 4.14Å; F45-Y55 AromaticContact CD2-CG 3.78Å; F45-Y55 HydrophobicContact CD2-CG 3.78Å; F45-Y55 HydrophobicContact CE2-CD1 4.34Å; F45-Y55 AromaticContact CE2-CD2 3.59Å; F45-Y55 HydrophobicContact CE2-CD2 3.59Å; F45-Y55 HydrophobicContact CE2-CE2 4.07Å; F45-Y55 AromaticContact CE2-CG 3.73Å; F45-Y55 HydrophobicContact CE2-CG 3.73Å; L46-Y55 HydrophobicContact CD2-CD1 4.11Å; L46-Y55 HydrophobicContact CD2-CE1 3.59Å; L46-Y55 HydrophobicContact CD2-CE2 4.13Å; F51-Y55 PolarHBondContact O-N 3.25Å; Y55-F57 VanDerWaalsContact C-N 3.34Å; Y55-F57 PolarHBondContact O-N 2.75Å; Y55-R58 PolarHBondContact O-N 3.21Å; Y55-V59 HydrophobicContact CD1-CG2 4.46Å; Y55-V59 HydrophobicContact CD2-CG2 3.87Å; Y55-V59 HydrophobicContact CE1-CG2 4.03Å; Y55-V59 HydrophobicContact CE2-CG2 3.42Å; Y55-V59 VanDerWaalsContact CE2-CG2 3.42Å; Y55-V59 HydrophobicContact CG-CG2 4.38Å; Y55-V59 VanDerWaalsContact CZ-CG2 3.5Å; Y55-V59 VanDerWaalsContact O-CG2 3.3Å; Y55-V59 WeakPolarHBondContact O-CG2 3.31Å; Y55-V59 PolarHBondContact O-N 3.44Å
56Q86.3Confident84.4Confident118 Ų11859.2 Ų59.255%0.55133%0.327SS*.Hα-helixtrans-60.9-41.8177.7-78.5168.186.400112.4A52 V59 A60A52-Q56 WeakPolarHBondContact O-CB 3.23Å; A52-Q56 WeakPolarHBondContact O-CG 3.32Å; A52-Q56 PolarHBondContact O-N 3.24Å; A52-Q56 PolarHBondContact O-NE2 2.92Å; Q56-V59 PolarHBondContact O-N 2.96Å; Q56-A60 VanDerWaalsContact O-CB 3.24Å; Q56-A60 WeakPolarHBondContact O-CB 3.36Å; Q56-A60 PolarHBondContact O-N 3.45Å
57F88.1Confident83.8Confident119 Ų11965.9 Ų65.952%0.52236%0.356SS..Hα-helixtrans-61.1-44.8175174.9-97.9000111.5V3 N53 Y54 Y55 A60 A61V3-F57 HydrophobicContact CG1-CB 4.24Å; V3-F57 HydrophobicContact CG1-CD1 4.2Å; V3-F57 HydrophobicContact CG1-CG 4.31Å; V3-F57 HydrophobicContact CG2-CB 4.5Å; V3-F57 HydrophobicContact CG2-CG 4.48Å; N53-F57 WeakPolarHBondContact O-CB 3.44Å; N53-F57 PolarHBondContact O-N 2.81Å; Y54-F57 PolarHBondContact O-N 2.71Å; Y55-F57 VanDerWaalsContact C-N 3.34Å; Y55-F57 PolarHBondContact O-N 2.75Å; F57-A60 PolarHBondContact O-N 3.26Å; F57-A61 VanDerWaalsContact O-CB 3.23Å; F57-A61 WeakPolarHBondContact O-CB 3.15Å; F57-A61 PolarHBondContact O-N 3.32Å
58R88.8Confident83Confident49 Ų4966 Ų6619%0.18536%0.36CS..Hα-helixtrans-63.6-45.9177.5-71.6-68.7-63.712817112D16 A19 Y54 Y55 A60 A61 E62D16-R58 WeakPolarHBondContact OD1-CD 3.23Å; D16-R58 IonicContact OD1-CZ 2.83Å; D16-R58 IonicContact OD1-NE 3.43Å; D16-R58 PolarHBondContact OD1-NE 2.87Å; D16-R58 IonicContact OD1-NH2 3.41Å; A19-R58 HydrophobicContact CB-CB 3.67Å; Y54-R58 HydrophobicContact CD1-CG 4.17Å; Y54-R58 HydrophobicContact CE1-CG 3.72Å; Y54-R58 HydrophobicContact CE2-CG 4.25Å; Y54-R58 WeakPolarHBondContact O-CB 3.41Å; Y54-R58 VanDerWaalsContact O-CG 3.27Å; Y54-R58 WeakPolarHBondContact O-CG 3.11Å; Y54-R58 PolarHBondContact O-N 2.85Å; Y55-R58 PolarHBondContact O-N 3.21Å; R58-A60 VanDerWaalsContact C-N 3.34Å; R58-A60 PolarHBondContact O-N 3.43Å; R58-A61 PolarHBondContact O-N 2.82Å; R58-E62 IonicContact CZ-OE1 3.72Å; R58-E62 IonicContact CZ-OE2 3.47Å; R58-E62 IonicContact NH1-OE1 3.61Å; R58-E62 PolarHBondContact NH1-OE1 3.46Å; R58-E62 IonicContact NH1-OE2 3.45Å; R58-E62 PolarHBondContact NH1-OE2 3.04Å; R58-E62 VanDerWaalsContact NH2-CD 3.33Å; R58-E62 IonicContact NH2-OE1 3.86Å; R58-E62 PolarHBondContact NH2-OE1 3.25Å; R58-E62 IonicContact NH2-OE2 2.65Å; R58-E62 PolarHBondContact NH2-OE2 3.12Å; R58-E62 PolarHBondContact O-N 2.82Å
59V88.5Confident82.1Confident11 Ų1170.6 Ų70.67%0.06737%0.373CS..Hα-helixtrans-59.8-45.7176.1171.80000110.8A19 V22 Y55 Q56 E62 Q63A19-V59 HydrophobicContact CB-CB 4.5Å; A19-V59 HydrophobicContact CB-CG2 3.65Å; V22-V59 HydrophobicContact CG1-CG1 4.27Å; Y55-V59 HydrophobicContact CD1-CG2 4.46Å; Y55-V59 HydrophobicContact CD2-CG2 3.87Å; Y55-V59 HydrophobicContact CE1-CG2 4.03Å; Y55-V59 HydrophobicContact CE2-CG2 3.42Å; Y55-V59 VanDerWaalsContact CE2-CG2 3.42Å; Y55-V59 HydrophobicContact CG-CG2 4.38Å; Y55-V59 VanDerWaalsContact CZ-CG2 3.5Å; Y55-V59 VanDerWaalsContact O-CG2 3.3Å; Y55-V59 WeakPolarHBondContact O-CG2 3.31Å; Y55-V59 PolarHBondContact O-N 3.44Å; Q56-V59 PolarHBondContact O-N 2.96Å; V59-E62 PolarHBondContact O-N 3.37Å; V59-Q63 WeakPolarHBondContact O-CB 3.25Å; V59-Q63 VanDerWaalsContact O-CG 3.31Å; V59-Q63 WeakPolarHBondContact O-CG 3.49Å; V59-Q63 PolarHBondContact O-N 3.47Å
60A87.1Confident81.2Confident56 Ų5670.2 Ų70.246%0.46337%0.365SS..Hα-helixtrans-66.5-40.2178.500000112.2Q56 F57 R58 A64Q56-A60 VanDerWaalsContact O-CB 3.24Å; Q56-A60 WeakPolarHBondContact O-CB 3.36Å; Q56-A60 PolarHBondContact O-N 3.45Å; F57-A60 PolarHBondContact O-N 3.26Å; R58-A60 VanDerWaalsContact C-N 3.34Å; R58-A60 PolarHBondContact O-N 3.43Å; A60-A64 WeakPolarHBondContact O-CB 3.27Å; A60-A64 PolarHBondContact O-N 2.99Å
61A87.3Confident80Confident34 Ų3466.8 Ų66.828%0.28135%0.351SS..Hα-helixtrans-63.4-45.1176.400000111.5F57 R58 A64 L65F57-A61 VanDerWaalsContact O-CB 3.23Å; F57-A61 WeakPolarHBondContact O-CB 3.15Å; F57-A61 PolarHBondContact O-N 3.32Å; R58-A61 PolarHBondContact O-N 2.82Å; A61-A64 PolarHBondContact O-N 2.94Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 PolarHBondContact O-N 3.44Å
62E88.4Confident78.5Confident30 Ų3071.3 Ų71.314%0.1438%0.377CS..Hα-helixtrans-69-41.6177.9-113.377.9148.900111.6A23 R58 V59 A64 L65 L66A23-E62 HydrophobicContact CB-CB 3.55Å; R58-E62 IonicContact CZ-OE1 3.72Å; R58-E62 IonicContact CZ-OE2 3.47Å; R58-E62 IonicContact NH1-OE1 3.61Å; R58-E62 PolarHBondContact NH1-OE1 3.46Å; R58-E62 IonicContact NH1-OE2 3.45Å; R58-E62 PolarHBondContact NH1-OE2 3.04Å; R58-E62 VanDerWaalsContact NH2-CD 3.33Å; R58-E62 IonicContact NH2-OE1 3.86Å; R58-E62 PolarHBondContact NH2-OE1 3.25Å; R58-E62 IonicContact NH2-OE2 2.65Å; R58-E62 PolarHBondContact NH2-OE2 3.12Å; R58-E62 PolarHBondContact O-N 2.82Å; V59-E62 PolarHBondContact O-N 3.37Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 2.89Å; E62-L65 PolarHBondContact O-N 3.37Å; E62-L66 WeakPolarHBondContact O-CD1 3.3Å; E62-L66 PolarHBondContact O-N 3.37Å
63Q85.4Confident76.8Confident81 Ų8175.5 Ų75.538%0.37939%0.394SS..Hα-helixtrans-62.9-39.1173.6-76.4-175.952.500112.1A23 V59 L66 K67A23-Q63 HydrophobicContact CB-CB 4.49Å; A23-Q63 HydrophobicContact CB-CG 3.6Å; V59-Q63 WeakPolarHBondContact O-CB 3.25Å; V59-Q63 VanDerWaalsContact O-CG 3.31Å; V59-Q63 WeakPolarHBondContact O-CG 3.49Å; V59-Q63 PolarHBondContact O-N 3.47Å; Q63-L66 PolarHBondContact O-N 3.22Å; Q63-K67 WeakPolarHBondContact O-CB 3.28Å; Q63-K67 PolarHBondContact O-N 3.33Å
64A83.9Confident75.1Confident58 Ų5877.1 Ų77.148%0.47940%0.398SS..Hα-helixtrans-66.1-38.6174.900000111.2A60 A61 E62 K67 Q68A60-A64 WeakPolarHBondContact O-CB 3.27Å; A60-A64 PolarHBondContact O-N 2.99Å; A61-A64 PolarHBondContact O-N 2.94Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 2.89Å; A64-K67 CarbonylContact O-C 3.43Å; A64-K67 PolarHBondContact O-N 3.45Å; A64-Q68 WeakPolarHBondContact O-CA 3.34Å; A64-Q68 WeakPolarHBondContact O-CB 3.2Å; A64-Q68 PolarHBondContact O-N 2.88Å
65L83.4Confident73.1Confident88 Ų8882.8 Ų82.846%0.46143%0.429SS..Hα-helixtrans-65.4-43174.6-17665.3000111.6A61 E62 Q68 Q69A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 PolarHBondContact O-N 3.44Å; E62-L65 PolarHBondContact O-N 3.37Å; L65-Q68 PolarHBondContact O-N 2.87Å; L65-Q69 WeakPolarHBondContact O-CB 3.46Å; L65-Q69 WeakPolarHBondContact O-CG 3.47Å; L65-Q69 PolarHBondContact O-N 2.79Å
66L80.1Confident71.2Confident60 Ų6087.6 Ų87.631%0.31446%0.461SS..Hα-helixtrans-64.3-43175.4-90.972.6000111.2R24 E62 Q63 Q69 A70R24-L66 HydrophobicContact CB-CD2 4.32Å; R24-L66 HydrophobicContact CG-CD2 4.39Å; E62-L66 WeakPolarHBondContact O-CD1 3.3Å; E62-L66 PolarHBondContact O-N 3.37Å; Q63-L66 PolarHBondContact O-N 3.22Å; L66-Q69 PolarHBondContact O-N 2.88Å; L66-A70 WeakPolarHBondContact O-CB 3.23Å; L66-A70 PolarHBondContact O-N 3.44Å
67K75.1Confident69.3Low150 Ų15088.6 Ų88.665%0.65248%0.478SS*.Hα-helixtrans-64.7-38.2172.1-93.9-178170.8177.50112.3Q63 A64 A70 I71Q63-K67 WeakPolarHBondContact O-CB 3.28Å; Q63-K67 PolarHBondContact O-N 3.33Å; A64-K67 CarbonylContact O-C 3.43Å; A64-K67 PolarHBondContact O-N 3.45Å; K67-A70 CarbonylContact O-C 3.33Å; K67-A70 WeakPolarHBondContact O-CB 3.47Å; K67-A70 PolarHBondContact O-N 3.41Å; K67-I71 VanDerWaalsContact O-CB 3.28Å; K67-I71 WeakPolarHBondContact O-CB 3.43Å; K67-I71 WeakPolarHBondContact O-CD1 3.35Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.38Å; K67-I71 PolarHBondContact O-N 2.93Å
68Q65.4Low67.4Low108 Ų10886.6 Ų86.651%0.50549%0.49SS..Hα-helixtrans-68.2-39178.1-175.469.278.200110.9A64 L65 A70 I71 N72A64-Q68 WeakPolarHBondContact O-CA 3.34Å; A64-Q68 WeakPolarHBondContact O-CB 3.2Å; A64-Q68 PolarHBondContact O-N 2.88Å; L65-Q68 PolarHBondContact O-N 2.87Å; Q68-A70 VanDerWaalsContact C-N 3.31Å; Q68-I71 PolarHBondContact O-N 3.38Å; Q68-N72 VanDerWaalsContact O-CB 3.3Å; Q68-N72 WeakPolarHBondContact O-CB 3.44Å; Q68-N72 PolarHBondContact O-N 3.47Å
69Q61.9Low65.1Low124 Ų12488.8 Ų88.858%0.57952%0.519SS*.Hα-helixtrans-66-34.9171.6-73.7176.86.900111.6L65 L66L65-Q69 WeakPolarHBondContact O-CB 3.46Å; L65-Q69 WeakPolarHBondContact O-CG 3.47Å; L65-Q69 PolarHBondContact O-N 2.79Å; L66-Q69 PolarHBondContact O-N 2.88Å
70A59.5Low63.2Low50 Ų5094.4 Ų94.441%0.41356%0.556SS.*Hα-helixtrans-72.8-28.8171.500000113.4L66 K67 Q68 Q74L66-A70 WeakPolarHBondContact O-CB 3.23Å; L66-A70 PolarHBondContact O-N 3.44Å; K67-A70 CarbonylContact O-C 3.33Å; K67-A70 WeakPolarHBondContact O-CB 3.47Å; K67-A70 PolarHBondContact O-N 3.41Å; Q68-A70 VanDerWaalsContact C-N 3.31Å; A70-Q74 WeakPolarHBondContact O-CG 3.43Å; A70-Q74 PolarHBondContact O-NE2 2.83Å
71I52.1Low61.2Low75 Ų7597.6 Ų97.639%0.38558%0.575SS.*Hα-helixtrans-81.3-32.1177.1-79.4163.7000111.4K67 Q68 Q73 Q74 L75K67-I71 VanDerWaalsContact O-CB 3.28Å; K67-I71 WeakPolarHBondContact O-CB 3.43Å; K67-I71 WeakPolarHBondContact O-CD1 3.35Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.38Å; K67-I71 PolarHBondContact O-N 2.93Å; Q68-I71 PolarHBondContact O-N 3.38Å; I71-Q73 PolarHBondContact O-N 3.5Å; I71-Q74 CarbonylContact O-C 3.57Å; I71-Q74 PolarHBondContact O-N 2.91Å; I71-L75 HydrophobicContact CG2-CD1 3.86Å
72N47.6Very low59Low142 Ų14298.7 Ų98.776%0.75959%0.59SS**THydrogen-bonded Turntrans-76.21179.1-150.827000113.6Q68Q68-N72 VanDerWaalsContact O-CB 3.3Å; Q68-N72 WeakPolarHBondContact O-CB 3.44Å; Q68-N72 PolarHBondContact O-N 3.47Å
73Q48.2Very low56.7Low103 Ų103105.5 Ų105.548%0.48162%0.621SS.*THydrogen-bonded Turntrans-104.22.1168.7-152.8150.1106.100112.7I71I71-Q73 PolarHBondContact O-N 3.5Å
74Q48.2Very low54.9Low139 Ų139110.8 Ų110.865%0.6564%0.639SS**SBendtrans-156.269.5-177.436.1172.23.300109.7A70 I71A70-Q74 WeakPolarHBondContact O-CG 3.43Å; A70-Q74 PolarHBondContact O-NE2 2.83Å; I71-Q74 CarbonylContact O-C 3.57Å; I71-Q74 PolarHBondContact O-N 2.91Å
75L41.8Very low53Low137 Ų137114.9 Ų114.972%0.71765%0.65SS**  trans-156.7134.3150.2-104.7130000112I71I71-L75 HydrophobicContact CG2-CD1 3.86Å
76P48.3Very low50.9Low108 Ų108117.5 Ų117.570%0.70166%0.659SS**  trans-64155.8169.628.3-33.9000111G78P76-G78 PolarHBondContact O-N 2.93Å
77P45.7Very low49.5Very low139 Ų139123.5 Ų123.590%0.90369%0.685SS**SBendtrans-72.7112.7-174.128.6-32.4000111
78G49.4Very low48.2Very low76 Ų76121.7 Ų121.778%0.78469%0.689SS**  trans150.196.7158.400000115.7P76P76-G78 PolarHBondContact O-N 2.93Å
79A40.7Very low47.6Very low96 Ų96121.7 Ų121.779%0.79370%0.699SS**  trans180129.2131.700000111
80P46.9Very low47Very low129 Ų129122 Ų12284%0.83871%0.712SS**  trans-89.7160.316236.8-31.8000111.6
81S45.3Very low46.1Very low123 Ų123128.2 Ų128.286%0.8673%0.734SS**  trans-53.2147.8-178.3-51.80000116.2
82G41.3Very low46Very low57 Ų57133.9 Ų133.959%0.58876%0.759SS**  trans102.5138136.300000118
83H41.2Very low45.5Very low172 Ų172136.3 Ų136.380%0.79677%0.766SS**  trans96.1119153.7-46.3-63.2000117.9
84Y47.5Very low45.1Very low193 Ų193136.7 Ų136.776%0.75778%0.78SS**  trans-58.8168.2167.948.6-109000112.1
85M44.5Very low44.7Very low143 Ų143138.9 Ų138.970%0.70479%0.79SS**  trans94.2119.8164.9-88.9148.762.600119.1
86Q38.1Very low44.8Very low143 Ų143138 Ų13867%0.66879%0.793SS**  trans81.996.7145.5-72.8149.851.900117.1P88Q86-P88 WeakPolarHBondContact O-CD 3.33Å
87H50.9Low44.7Very low186 Ų186139.1 Ų139.186%0.86180%0.8SS**  trans-59.8132.3149.415.2-105.7000111.2
88P46.8Very low44.1Very low112 Ų112135.8 Ų135.873%0.72779%0.79SS**  trans-116.4162.9144.75.817.6000111.1Q86Q86-P88 WeakPolarHBondContact O-CD 3.33Å
89P54.3Low43.3Very low109 Ų109140.3 Ų140.371%0.70880%0.796SS**  trans-74.5163.1-16531.3-35.1000113.6M91P89-M91 PolarHBondContact O-N 3.18Å
90P48.3Very low43.3Very low131 Ų131146.3 Ų146.385%0.85180%0.799SS**  trans-72.4115.4178.228.9-31.6000110.4
91M42Very low43.4Very low180 Ų180145.8 Ų145.889%0.88780%0.796SS**  trans-82.5117.8163.9-70.4-145.477.700109.4P89 Q93P89-M91 PolarHBondContact O-N 3.18Å; M91-Q93 PolarHBondContact O-N 3.4Å
92Q49.7Very low43.8Very low193 Ų193145.4 Ų145.490%0.90279%0.791SS**  trans-59.9113.1171.8-169.616816.600109.4
93Q36.5Very low44.6Very low193 Ų193148.2 Ų148.290%0.90280%0.798SS**  trans-107.2121.8179.3-158.416649.300111.2M91M91-Q93 PolarHBondContact O-N 3.4Å
94S38.7Very low44.3Very low111 Ų111146.9 Ų146.978%0.77680%0.797SS**PPolyproline II helixtrans-64.8138.4-174-380000113.1
95Q40.3Very low43.7Very low186 Ų186146.6 Ų146.687%0.86980%0.803SS**PPolyproline II helixtrans-69.3150.8168.5-65.5176.7-0.800111.6
96P44.3Very low43.4Very low119 Ų119147.9 Ų147.977%0.77381%0.807SS**PPolyproline II helixtrans-103152.4151.234.3-25.7000111.9
97P46.9Very low43.6Very low131 Ų131146.6 Ų146.685%0.85181%0.811SS**  trans-104.5157.8-161.938.3-31.5000115.4
98G32.9Very low43.4Very low68 Ų68143.5 Ų143.570%0.70181%0.808SS**  trans95.4141.1158.800000114.3
99L32.3Very low43.2Very low172 Ų172145.3 Ų145.390%0.90181%0.806SS**  cis-156.214017.6-72.2165.3000107.9
100Y40.5Very low43.2Very low221 Ų221146 Ų14687%0.86781%0.81SS**  trans-71.9155.6163.3-81-92.5000110.5
101P48.4Very low43.3Very low119 Ų119144.8 Ų144.877%0.77380%0.803SS**  -137.1165.5109.533.8-19.4000114.5
102P54.9Low43.1Very low114 Ų114144.6 Ų144.674%0.7480%0.8SS**  trans-107.7-158.8-169.739.8-24.2000112
103P57.2Low42.6Very low116 Ų116141.3 Ų141.375%0.75379%0.793SS**  -121.9177.6-82.237.3-20.6000113.1
104N35.7Very low42.9Very low144 Ų144136 Ų13677%0.7778%0.783SS**  trans90.6113.9149.4-140.941.8000119.2
105Q34.8Very low42.8Very low187 Ų187139.5 Ų139.587%0.87479%0.787SS**  175.8105125-93170.5100.800111.2
106Q37Very low42.5Very low170 Ų170137.6 Ų137.679%0.79478%0.782SS**PPolyproline II helixtrans-97.5143.7156.7-74.2-178.4-56.800108.8
107P43.9Very low42.5Very low117 Ų117139.3 Ų139.376%0.7679%0.785SS**PPolyproline II helixtrans-87.6159.9156.3-7.226.2000112
108P45.4Very low42.1Very low121 Ų121139.8 Ų139.879%0.78678%0.777SS**PPolyproline II helixtrans-90.8145-14834.8-34.4000114.4
109H44Very low42.8Very low149 Ų149144.1 Ų144.169%0.6978%0.78SS**PPolyproline II helixtrans-82.3140.4155.735.3-95.8000109.3
110P54.1Low43.3Very low123 Ų123144.3 Ų144.380%0.79978%0.776SS**PPolyproline II helixtrans-73.6155.817128.6-30.8000112.2
111P50.6Low43.3Very low107 Ų107141.2 Ų141.270%0.69577%0.769SS**PPolyproline II helixtrans-100.2168.9-16239.1-34.5000115
112E36.4Very low42.8Very low175 Ų175140.7 Ų140.782%0.81876%0.764SS**  trans79128.3151.4-99.3165.657.600118.1
113T38.9Very low42.1Very low124 Ų124143.2 Ų143.276%0.76177%0.766SS**  cis-143.7126.932.930.30000114.3
114A44.4Very low41.4Very low83 Ų83144.6 Ų144.669%0.68676%0.762SS**  trans48.2108.6142.700000120
115Q36.9Very low41.4Very low184 Ų184141.9 Ų141.986%0.8675%0.754SS**  49.5116.469.3-66.1168.3-103.400111.1
116D32.8Very low41.3Very low146 Ų146144.5 Ų144.578%0.78176%0.756SS**  -174.3119.872.6-169-97.6000108.9
117N44.4Very low42.3Very low154 Ų154141.9 Ų141.982%0.82475%0.754SS**  trans-17276.7135.8-159.47.7000109.2
118M39.6Very low42.6Very low141 Ų141141.7 Ų141.770%0.69575%0.753SS**  trans-82.8138.9169.6-173.5174.672.400109.2
119Q47.3Very low42.8Very low160 Ų160144 Ų14475%0.74876%0.758SS**  trans45.384.9150.9-69.9165-0.300117.1
120Q41.8Very low42.6Very low175 Ų175142 Ų14282%0.81876%0.762SS**  trans-155.190.4141.5-153.8158.9102.100111.6
121Q40.3Very low42Very low156 Ų156139.4 Ų139.473%0.72976%0.757SS**  trans-15580.2142.4-151.8146.78600112.5H124Q121-H124 VanDerWaalsContact CD-CD2 3.49Å; Q121-H124 PolarHBondContact NE2-NE2 2.87Å
122T39.5Very low41.8Very low108 Ų108143 Ų14366%0.66377%0.77SS**  trans-24.3129.41374.60000113.8H124T122-H124 PolarHBondContact O-N 3.41Å
123Q39.8Very low41.8Very low168 Ų168138.3 Ų138.379%0.78577%0.769SS**  trans2688.3136.6-164.6-177.7108.100116.3
124H41.3Very low41.6Very low144 Ų144136 Ų13667%0.66777%0.77SS**  trans-109.377.6161.1-71.7-33.7000109.9Q121 T122Q121-H124 VanDerWaalsContact CD-CD2 3.49Å; Q121-H124 PolarHBondContact NE2-NE2 2.87Å; T122-H124 PolarHBondContact O-N 3.41Å
125S36Very low42.7Very low87 Ų87137.9 Ų137.961%0.60878%0.775SS**  trans-61.4130.4150.442.50000108.9
126W33.7Very low43.6Very low243 Ų243135.2 Ų135.292%0.9277%0.773SS**  trans-44.9136.3172.6-64.690.1000112.3
127P57.1Low44.2Very low114 Ų114135.2 Ų135.274%0.7477%0.773SS**  trans-74.5144.6167.329-29.9000110.5
128P50.6Low44.6Very low113 Ų113133.4 Ų133.473%0.73476%0.764SS**  trans-75.3146.4176.631.5-31.9000110.8S130P128-S130 PolarHBondContact O-N 3.2Å
129N49.4Very low44.6Very low170 Ų170135 Ų13591%0.90977%0.77SS**  trans-61.3109168.3-179.443000109.7
130S40.4Very low44.7Very low108 Ų108135.6 Ų135.676%0.75577%0.772SS**  trans-123.1113.4172.846.50000109.8P128P128-S130 PolarHBondContact O-N 3.2Å
131G41.6Very low44.7Very low68 Ų68131.8 Ų131.870%0.70177%0.771SS**  trans-79.1166-17900000114.9
132N46.5Very low45.1Very low182 Ų182133 Ų13397%0.97378%0.782SS**  trans56.5118.2145.8-125.642.6000120.3
133G35.7Very low45.6Very low76 Ų76130.2 Ų130.278%0.78478%0.775SS**  trans173.598.6156.800000116.5
134G34.2Very low46.2Very low76 Ų76128.6 Ų128.678%0.78477%0.772SS**  trans74.8140.7138.700000122.2
135P68.7Low46.8Very low123 Ų123126.8 Ų126.880%0.79977%0.773SS**  trans-95.5172.2-174.440.4-35.8000114.6
136P54.1Low47.8Very low127 Ų127129.7 Ų129.783%0.82578%0.779SS**  -144.6141.2101.135.6-18.2000117.2
137N46.1Very low48.9Very low146 Ų146120.7 Ų120.778%0.78176%0.756SS**  trans19.6112.5145.7-146.649.7000123.5
138N53.3Low49Very low116 Ų116122.5 Ų122.562%0.6276%0.757SS**  75.3109.3120.5-152.932.1000122.7
139Q40.1Very low50.2Low176 Ų176122 Ų12282%0.82275%0.748SS**  -159.7141.9122.8-154.2118.483.700111.5
140Q49.3Very low51.5Low171 Ų171119.8 Ų119.880%0.79974%0.735SS**  trans-60.6133.3-170.9-71145.4-77.200115.4
141A40.6Very low53.5Low95 Ų95118.8 Ų118.879%0.78573%0.725SS**  trans-150.1125.7143.900000109.7G143A141-G143 PolarHBondContact O-N 3.1Å; A141-G143 VanDerWaalsContact O-N 3.12Å
142N49.3Very low55.5Low181 Ų181119.2 Ų119.297%0.96872%0.717SS**SBendtrans-60.6101.9-179.9-176.952.6000111.6
143G49.9Very low57.3Low51 Ų51115.8 Ų115.853%0.52670%0.695SS.*SBendtrans170.9128.7171.200000109.2A141 P145A141-G143 PolarHBondContact O-N 3.1Å; A141-G143 VanDerWaalsContact O-N 3.12Å; G143-P145 WeakPolarHBondContact O-CD 3.48Å
144N52.7Low59.7Low134 Ų134116.6 Ų116.672%0.71768%0.681SS**  trans-51.5106.7-177.6-8223.6000110.7M146 A147N144-M146 PolarHBondContact O-N 3.33Å; N144-A147 HydrophobicContact CB-CB 4.26Å; N144-A147 WeakPolarHBondContact O-CB 3.41Å; N144-A147 PolarHBondContact O-N 3.38Å
145P54.6Low62.3Low105 Ų105118.1 Ų118.168%0.68267%0.668SS**Hα-helixtrans-69.9-20.3-170.826.7-33.6000112.7G143 N149G143-P145 WeakPolarHBondContact O-CD 3.48Å; P145-N149 PolarHBondContact O-N 2.96Å
146M55.1Low63.3Low148 Ų148114.9 Ų114.973%0.72965%0.652SS**Hα-helixtrans-71.5-27.5173.5-75.2-179.4-82.900113.2N144 L150N144-M146 PolarHBondContact O-N 3.33Å; M146-L150 PolarHBondContact O-N 3.31Å; M146-L150 VanDerWaalsContact O-N 3.16Å
147A58.6Low65.1Low55 Ų55113.5 Ų113.546%0.45564%0.636SS.*Hα-helixtrans-71.4-44.3179.800000111.1N144 N149 L150 T151N144-A147 HydrophobicContact CB-CB 4.26Å; N144-A147 WeakPolarHBondContact O-CB 3.41Å; N144-A147 PolarHBondContact O-N 3.38Å; A147-N149 PolarHBondContact O-N 2.93Å; A147-L150 PolarHBondContact O-N 3.2Å; A147-T151 PolarHBondContact O-N 3.01Å; A147-T151 PolarHBondContact O-OG1 2.59Å
148M59.2Low67.2Low152 Ų152111.7 Ų111.775%0.74962%0.621SS**Hα-helixtrans-62.7-39.9175.6-87.3-129.6-86.200112.7T151 S152M148-T151 PolarHBondContact O-N 2.95Å; M148-S152 WeakPolarHBondContact O-CB 3.39Å; M148-S152 PolarHBondContact O-N 3.34Å; M148-S152 PolarHBondContact O-OG 2.8Å; M148-S152 VanDerWaalsContact O-OG 3.07Å
149N74.8Confident69.1Low103 Ų103112.5 Ų112.555%0.55162%0.623SS**Hα-helixtrans-66.6-42.5178.9-167.610.4000112.3P145 A147 Q153P145-N149 PolarHBondContact O-N 2.96Å; A147-N149 PolarHBondContact O-N 2.93Å; N149-Q153 VanDerWaalsContact O-CB 3.23Å; N149-Q153 WeakPolarHBondContact O-CB 3.2Å; N149-Q153 PolarHBondContact O-N 3.27Å
150L76.3Confident71.5Confident122 Ų122110.6 Ų110.664%0.63961%0.614SS**Hα-helixtrans-64.8-40.4175-11271.3000112.1M146 A147 Q153 L154M146-L150 PolarHBondContact O-N 3.31Å; M146-L150 VanDerWaalsContact O-N 3.16Å; A147-L150 PolarHBondContact O-N 3.2Å; L150-Q153 PolarHBondContact O-N 2.97Å; L150-L154 VanDerWaalsContact O-CB 3.26Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 PolarHBondContact O-N 3.39Å
151T83.1Confident73.6Confident87 Ų87107.1 Ų107.153%0.53460%0.598SS.*Hα-helixtrans-66.3-44.5178.2-53.80000111.6A147 M148 Q153 L154 E155A147-T151 PolarHBondContact O-N 3.01Å; A147-T151 PolarHBondContact O-OG1 2.59Å; M148-T151 PolarHBondContact O-N 2.95Å; T151-Q153 VanDerWaalsContact C-N 3.35Å; T151-Q153 PolarHBondContact O-N 3.5Å; T151-L154 PolarHBondContact O-N 3.24Å; T151-E155 PolarHBondContact O-N 3.48Å
152S83.3Confident76.1Confident77 Ų77108.8 Ų108.854%0.53859%0.587SS.*Hα-helixtrans-64.2-39.1175.7-61.80000112.4M148 E155 A156M148-S152 WeakPolarHBondContact O-CB 3.39Å; M148-S152 PolarHBondContact O-N 3.34Å; M148-S152 PolarHBondContact O-OG 2.8Å; M148-S152 VanDerWaalsContact O-OG 3.07Å; S152-E155 PolarHBondContact O-N 3.27Å; S152-A156 PolarHBondContact O-N 3.24Å
153Q84.8Confident78.2Confident111 Ų111103 Ų10352%0.51956%0.561SS.*Hα-helixtrans-69-37.1176.8-164.6167.293.800111.9N149 L150 T151 A156 I157N149-Q153 VanDerWaalsContact O-CB 3.23Å; N149-Q153 WeakPolarHBondContact O-CB 3.2Å; N149-Q153 PolarHBondContact O-N 3.27Å; L150-Q153 PolarHBondContact O-N 2.97Å; T151-Q153 VanDerWaalsContact C-N 3.35Å; T151-Q153 PolarHBondContact O-N 3.5Å; Q153-A156 PolarHBondContact O-N 3.13Å; Q153-I157 HydrophobicContact CG-CD1 4.34Å; Q153-I157 VanDerWaalsContact O-CG1 3.28Å; Q153-I157 WeakPolarHBondContact O-CG1 3.29Å; Q153-I157 PolarHBondContact O-N 2.95Å
154L86.3Confident80.3Confident93 Ų93104.9 Ų104.949%0.48756%0.559SS.*Hα-helixtrans-63.2-41172.5-173.673000111.7L150 T151 I157 K158L150-L154 VanDerWaalsContact O-CB 3.26Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 PolarHBondContact O-N 3.39Å; T151-L154 PolarHBondContact O-N 3.24Å; L154-I157 PolarHBondContact O-N 2.92Å; L154-K158 WeakPolarHBondContact O-CB 3.34Å; L154-K158 VanDerWaalsContact O-CG 3.3Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 3.05Å
155E88.6Confident82.3Confident107 Ų107106.3 Ų106.350%0.555%0.554SS.*Hα-helixtrans-64.1-42.2176.4-158.9100.1107.300111.5T151 S152 K158 M159T151-E155 PolarHBondContact O-N 3.48Å; S152-E155 PolarHBondContact O-N 3.27Å; E155-K158 WeakPolarHBondContact O-CB 3.32Å; E155-K158 PolarHBondContact O-N 3.46Å; E155-M159 PolarHBondContact O-N 3.38Å
156A89.8Confident84.1Confident56 Ų56105.9 Ų105.946%0.46354%0.543SS..Hα-helixtrans-63.1-44.117600000112S152 Q153 K158 M159 Q160S152-A156 PolarHBondContact O-N 3.24Å; Q153-A156 PolarHBondContact O-N 3.13Å; A156-K158 VanDerWaalsContact C-N 3.33Å; A156-K158 PolarHBondContact O-N 2.85Å; A156-M159 PolarHBondContact O-N 2.65Å; A156-Q160 WeakPolarHBondContact O-CB 3.38Å; A156-Q160 PolarHBondContact O-N 3.23Å
157I90.6Very high85.9Confident97 Ų97104.3 Ų104.350%0.49753%0.534SS..Hα-helixtrans-65-38.6176.1-67.7167.2000110.7Q153 L154 Q160 Q161Q153-I157 HydrophobicContact CG-CD1 4.34Å; Q153-I157 VanDerWaalsContact O-CG1 3.28Å; Q153-I157 WeakPolarHBondContact O-CG1 3.29Å; Q153-I157 PolarHBondContact O-N 2.95Å; L154-I157 PolarHBondContact O-N 2.92Å; I157-Q160 PolarHBondContact O-N 3.07Å; I157-Q161 WeakPolarHBondContact O-CB 3.39Å; I157-Q161 PolarHBondContact O-N 2.91Å
158K92Very high87.6Confident108 Ų108105.7 Ų105.747%0.4753%0.533SS..Hα-helixtrans-64.2-41.7174.3-78.9176.1179.5176.60112.2L154 E155 A156 Q161 K162L154-K158 WeakPolarHBondContact O-CB 3.34Å; L154-K158 VanDerWaalsContact O-CG 3.3Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 3.05Å; E155-K158 WeakPolarHBondContact O-CB 3.32Å; E155-K158 PolarHBondContact O-N 3.46Å; A156-K158 VanDerWaalsContact C-N 3.33Å; A156-K158 PolarHBondContact O-N 2.85Å; K158-Q161 PolarHBondContact O-N 3.43Å; K158-K162 WeakPolarHBondContact O-CB 3.3Å; K158-K162 PolarHBondContact O-N 3Å
159M91.8Very high89.4Confident134 Ų134104.2 Ų104.266%0.6652%0.524SS*.Hα-helixtrans-63.1-42.8173.8-83.3-170.4-173.500111.6E155 A156 Q161 K162 S163E155-M159 PolarHBondContact O-N 3.38Å; A156-M159 PolarHBondContact O-N 2.65Å; M159-Q161 VanDerWaalsContact C-N 3.35Å; M159-Q161 PolarHBondContact O-N 3.45Å; M159-K162 WeakPolarHBondContact O-CB 3.33Å; M159-K162 PolarHBondContact O-N 3.07Å; M159-S163 PolarHBondContact O-N 2.83Å
160Q91.9Very high90.2Very high136 Ų136105.6 Ų105.664%0.63653%0.527SS*.Hα-helixtrans-63.5-42.3176.6-169.2178.4-1800111.3A156 I157 K162 S163 L164A156-Q160 WeakPolarHBondContact O-CB 3.38Å; A156-Q160 PolarHBondContact O-N 3.23Å; I157-Q160 PolarHBondContact O-N 3.07Å; Q160-K162 VanDerWaalsContact C-N 3.3Å; Q160-K162 PolarHBondContact O-N 2.89Å; Q160-S163 PolarHBondContact O-N 2.85Å; Q160-L164 PolarHBondContact O-N 3.39Å
161Q91.6Very high91Very high98 Ų98102.9 Ų102.946%0.45852%0.519SS..Hα-helixtrans-60.6-40.3173.9-172.6-177.217.100111.6I157 K158 M159 R165I157-Q161 WeakPolarHBondContact O-CB 3.39Å; I157-Q161 PolarHBondContact O-N 2.91Å; K158-Q161 PolarHBondContact O-N 3.43Å; M159-Q161 VanDerWaalsContact C-N 3.35Å; M159-Q161 PolarHBondContact O-N 3.45Å; Q161-R165 WeakPolarHBondContact O-CB 3.18Å; Q161-R165 VanDerWaalsContact O-CG 3.25Å; Q161-R165 WeakPolarHBondContact O-CG 3.31Å; Q161-R165 PolarHBondContact O-N 3.38Å
162K93.8Very high91.4Very high129 Ų129103.7 Ų103.756%0.56152%0.516SS*.Hα-helixtrans-63.7-48.7176.4-169-167.4169.5-170.90111K158 M159 Q160 L164 R165 E166K158-K162 WeakPolarHBondContact O-CB 3.3Å; K158-K162 PolarHBondContact O-N 3Å; M159-K162 WeakPolarHBondContact O-CB 3.33Å; M159-K162 PolarHBondContact O-N 3.07Å; Q160-K162 VanDerWaalsContact C-N 3.3Å; Q160-K162 PolarHBondContact O-N 2.89Å; K162-L164 VanDerWaalsContact C-N 3.34Å; K162-L164 PolarHBondContact O-N 3.03Å; K162-R165 WeakPolarHBondContact O-CB 3.29Å; K162-R165 PolarHBondContact O-N 3.35Å; K162-R165 VanDerWaalsContact O-N 3.14Å; K162-E166 WeakPolarHBondContact O-CG 3.03Å; K162-E166 PolarHBondContact O-N 3.45Å
163S93.3Very high91.8Very high59 Ų59102.5 Ų102.541%0.41351%0.511SS..Hα-helixtrans-60.3-42.9179.2-1780000112.2M159 Q160 R165 E166 Q167M159-S163 PolarHBondContact O-N 2.83Å; Q160-S163 PolarHBondContact O-N 2.85Å; S163-R165 VanDerWaalsContact C-N 3.35Å; S163-R165 PolarHBondContact O-N 2.81Å; S163-E166 PolarHBondContact O-N 2.94Å; S163-Q167 PolarHBondContact O-N 2.8Å
164L94.3Very high92.3Very high92 Ų92103 Ų10348%0.48252%0.517SS..Hα-helixtrans-64.7-39.9176.5-128.473000111.9Q160 K162 E166 Q167 I168Q160-L164 PolarHBondContact O-N 3.39Å; K162-L164 VanDerWaalsContact C-N 3.34Å; K162-L164 PolarHBondContact O-N 3.03Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-Q167 PolarHBondContact O-N 3.44Å; L164-I168 VanDerWaalsContact O-CG1 3.29Å; L164-I168 WeakPolarHBondContact O-CG1 3.29Å; L164-I168 PolarHBondContact O-N 2.83Å
165R93.9Very high92.6Very high164 Ų164104 Ų10462%0.61952%0.523SS*.Hα-helixtrans-63-41175.2-78176.6169.2-164.9-3.1111.9Q161 K162 S163 I168 Q169Q161-R165 WeakPolarHBondContact O-CB 3.18Å; Q161-R165 VanDerWaalsContact O-CG 3.25Å; Q161-R165 WeakPolarHBondContact O-CG 3.31Å; Q161-R165 PolarHBondContact O-N 3.38Å; K162-R165 WeakPolarHBondContact O-CB 3.29Å; K162-R165 PolarHBondContact O-N 3.35Å; K162-R165 VanDerWaalsContact O-N 3.14Å; S163-R165 VanDerWaalsContact C-N 3.35Å; S163-R165 PolarHBondContact O-N 2.81Å; R165-I168 PolarHBondContact O-N 3.24Å; R165-Q169 WeakPolarHBondContact O-CB 3.48Å; R165-Q169 PolarHBondContact O-N 3.23Å
166E94.3Very high92.9Very high96 Ų96102.3 Ų102.345%0.44952%0.523SS..Hα-helixtrans-64.7-40.4176.3-71.6171.9111.400111.4K162 S163 L164 Q169 Q170K162-E166 WeakPolarHBondContact O-CG 3.03Å; K162-E166 PolarHBondContact O-N 3.45Å; S163-E166 PolarHBondContact O-N 2.94Å; L164-E166 VanDerWaalsContact C-N 3.34Å; E166-Q169 PolarHBondContact O-N 2.83Å; E166-Q170 WeakPolarHBondContact O-CG 3.45Å; E166-Q170 PolarHBondContact O-N 3.49Å
167Q92.9Very high93Very high114 Ų114102.5 Ų102.553%0.53352%0.524SS..Hα-helixtrans-63.5-43.7174-79.1-176.1-7.500112.7S163 L164 Q169 Q170 S171S163-Q167 PolarHBondContact O-N 2.8Å; L164-Q167 PolarHBondContact O-N 3.44Å; Q167-Q169 VanDerWaalsContact C-N 3.35Å; Q167-Q170 PolarHBondContact O-N 2.98Å; Q167-S171 WeakPolarHBondContact O-CB 3.5Å; Q167-S171 PolarHBondContact O-N 3.29Å; Q167-S171 PolarHBondContact O-OG 2.73Å
168I93.4Very high93Very high84 Ų84104.3 Ų104.343%0.43153%0.531SS..Hα-helixtrans-59.4-50.3175.7-68.3163.4000109.2L164 R165 Q170 S171 E172L164-I168 VanDerWaalsContact O-CG1 3.29Å; L164-I168 WeakPolarHBondContact O-CG1 3.29Å; L164-I168 PolarHBondContact O-N 2.83Å; R165-I168 PolarHBondContact O-N 3.24Å; I168-Q170 VanDerWaalsContact C-N 3.3Å; I168-Q170 PolarHBondContact O-N 2.99Å; I168-S171 PolarHBondContact O-N 3.29Å; I168-S171 VanDerWaalsContact O-N 3.07Å; I168-S171 PolarHBondContact O-OG 3.06Å; I168-E172 HydrophobicContact CG2-CG 4.24Å; I168-E172 WeakPolarHBondContact O-CG 3.38Å; I168-E172 PolarHBondContact O-N 3.08Å
169Q95.9Very high93.2Very high122 Ų122104.3 Ų104.357%0.5753%0.532SS*.Hα-helixtrans-57.8-41.5-179.3-174.362.872.700112.7R165 E166 Q167 A173R165-Q169 WeakPolarHBondContact O-CB 3.48Å; R165-Q169 PolarHBondContact O-N 3.23Å; E166-Q169 PolarHBondContact O-N 2.83Å; Q167-Q169 VanDerWaalsContact C-N 3.35Å; Q169-A173 WeakPolarHBondContact O-CB 3.3Å; Q169-A173 PolarHBondContact O-N 3.41Å
170Q93.3Very high93.3Very high131 Ų131101.1 Ų101.161%0.61252%0.52SS*.Hα-helixtrans-68.5-41.3176.2-75.1178.512.700112E166 Q167 I168 E172 A173 N174E166-Q170 WeakPolarHBondContact O-CG 3.45Å; E166-Q170 PolarHBondContact O-N 3.49Å; Q167-Q170 PolarHBondContact O-N 2.98Å; I168-Q170 VanDerWaalsContact C-N 3.3Å; I168-Q170 PolarHBondContact O-N 2.99Å; Q170-E172 VanDerWaalsContact C-N 3.32Å; Q170-E172 PolarHBondContact O-N 2.81Å; Q170-A173 PolarHBondContact O-N 3.25Å; Q170-N174 WeakPolarHBondContact O-CB 3.49Å; Q170-N174 PolarHBondContact O-N 2.88Å
171S91.7Very high93.5Very high66 Ų6697.6 Ų97.646%0.46251%0.514SS..Hα-helixtrans-63.8-38.6177.575.60000112Q167 I168 N174 L175Q167-S171 WeakPolarHBondContact O-CB 3.5Å; Q167-S171 PolarHBondContact O-N 3.29Å; Q167-S171 PolarHBondContact O-OG 2.73Å; I168-S171 PolarHBondContact O-N 3.29Å; I168-S171 VanDerWaalsContact O-N 3.07Å; I168-S171 PolarHBondContact O-OG 3.06Å; S171-N174 PolarHBondContact O-N 2.54Å; S171-L175 WeakPolarHBondContact O-CB 3.45Å; S171-L175 PolarHBondContact O-N 3.37Å
172E91.2Very high93.7Very high103 Ų10396 Ų9648%0.48151%0.508SS..Hα-helixtrans-67.2-42175.8-71.817715200111.5I168 Q170 L175 S176I168-E172 HydrophobicContact CG2-CG 4.24Å; I168-E172 WeakPolarHBondContact O-CG 3.38Å; I168-E172 PolarHBondContact O-N 3.08Å; Q170-E172 VanDerWaalsContact C-N 3.32Å; Q170-E172 PolarHBondContact O-N 2.81Å; E172-L175 PolarHBondContact O-N 2.95Å; E172-S176 VanDerWaalsContact O-CB 3.26Å; E172-S176 WeakPolarHBondContact O-CB 3.36Å; E172-S176 PolarHBondContact O-N 3.48Å
173A92.9Very high93.7Very high53 Ų5394.3 Ų94.344%0.43850%0.504SS..Hα-helixtrans-62-43.917500000111.6Q169 Q170 S176 A177Q169-A173 WeakPolarHBondContact O-CB 3.3Å; Q169-A173 PolarHBondContact O-N 3.41Å; Q170-A173 PolarHBondContact O-N 3.25Å; A173-S176 PolarHBondContact O-N 2.99Å; A173-A177 WeakPolarHBondContact O-CB 3.44Å; A173-A177 PolarHBondContact O-N 3.15Å
174N94.9Very high93.7Very high121 Ų12196.4 Ų96.465%0.64751%0.51SS*.Hα-helixtrans-63-44.5176.2-79.8-12.1000112Q170 S171 A177 Q178Q170-N174 WeakPolarHBondContact O-CB 3.49Å; Q170-N174 PolarHBondContact O-N 2.88Å; S171-N174 PolarHBondContact O-N 2.54Å; N174-A177 PolarHBondContact O-N 2.87Å; N174-Q178 PolarHBondContact O-N 3.24Å
175L93.3Very high93.8Very high115 Ų11597.4 Ų97.460%0.60251%0.512SS*.Hα-helixtrans-63.9-42.6177.9-173.267.8000111.4S171 E172 Q178 H179S171-L175 WeakPolarHBondContact O-CB 3.45Å; S171-L175 PolarHBondContact O-N 3.37Å; E172-L175 PolarHBondContact O-N 2.95Å; L175-Q178 PolarHBondContact O-N 3.03Å; L175-H179 WeakPolarHBondContact O-CB 3.35Å; L175-H179 PolarHBondContact O-N 3.49Å
176S93.8Very high93.6Very high71 Ų7192.7 Ų92.750%0.49750%0.496SS..Hα-helixtrans-62.9-42.6177-179.10000112E172 A173 H179 T180E172-S176 VanDerWaalsContact O-CB 3.26Å; E172-S176 WeakPolarHBondContact O-CB 3.36Å; E172-S176 PolarHBondContact O-N 3.48Å; A173-S176 PolarHBondContact O-N 2.99Å; S176-H179 PolarHBondContact O-N 3.33Å; S176-T180 WeakPolarHBondContact O-CB 3.42Å; S176-T180 PolarHBondContact O-N 2.9Å; S176-T180 PolarHBondContact O-OG1 3.13Å
177A93.2Very high93.6Very high59 Ų5991.6 Ų91.649%0.48850%0.496SS..Hα-helixtrans-63.2-44.3176.600000111.6A173 N174 T180 A181A173-A177 WeakPolarHBondContact O-CB 3.44Å; A173-A177 PolarHBondContact O-N 3.15Å; N174-A177 PolarHBondContact O-N 2.87Å; A177-T180 PolarHBondContact O-N 3.07Å; A177-A181 WeakPolarHBondContact O-CB 3.3Å; A177-A181 PolarHBondContact O-N 2.96Å
178Q90.9Very high93.6Very high136 Ų13692.2 Ų92.264%0.63650%0.497SS*.Hα-helixtrans-61.6-46.5176-173.7-174.454.200111.5N174 L175 T180 A181 L182N174-Q178 PolarHBondContact O-N 3.24Å; L175-Q178 PolarHBondContact O-N 3.03Å; Q178-T180 VanDerWaalsContact C-N 3.33Å; Q178-T180 PolarHBondContact O-N 3.47Å; Q178-A181 PolarHBondContact O-N 2.92Å; Q178-L182 WeakPolarHBondContact O-CB 3.38Å; Q178-L182 PolarHBondContact O-N 3.47Å
179H94.6Very high93.6Very high107 Ų10793.2 Ų93.250%0.49550%0.5SS..Hα-helixtrans-58-48.4176.6-173.3136.3000110.5L175 S176 A181 L182 M183L175-H179 WeakPolarHBondContact O-CB 3.35Å; L175-H179 PolarHBondContact O-N 3.49Å; S176-H179 PolarHBondContact O-N 3.33Å; H179-A181 PolarHBondContact O-N 3.08Å; H179-L182 PolarHBondContact O-N 3.03Å; H179-M183 WeakPolarHBondContact CD2-CG 3.29Å; H179-M183 WeakPolarHBondContact NE2-CE 3.31Å; H179-M183 WeakPolarHBondContact NE2-CG 3.3Å; H179-M183 WeakPolarHBondContact O-CG 3.42Å; H179-M183 PolarHBondContact O-N 3.22Å
180T95.1Very high93.6Very high68 Ų6892.3 Ų92.342%0.41750%0.498SS..Hα-helixtrans-61.2-44.4-178.6-57.90000111.3S176 A177 Q178 L182 M183 N184S176-T180 WeakPolarHBondContact O-CB 3.42Å; S176-T180 PolarHBondContact O-N 2.9Å; S176-T180 PolarHBondContact O-OG1 3.13Å; A177-T180 PolarHBondContact O-N 3.07Å; Q178-T180 VanDerWaalsContact C-N 3.33Å; Q178-T180 PolarHBondContact O-N 3.47Å; T180-L182 VanDerWaalsContact C-N 3.34Å; T180-L182 PolarHBondContact O-N 3.26Å; T180-M183 PolarHBondContact O-N 2.93Å; T180-N184 WeakPolarHBondContact O-CB 3.46Å; T180-N184 PolarHBondContact O-N 3.05Å; T180-N184 PolarHBondContact O-ND2 3.39Å
181A94.8Very high93.6Very high61 Ų6191.7 Ų91.750%0.50450%0.495SS..Hα-helixtrans-61.1-43.7176.600000111.9A177 Q178 H179 N184 Q185A177-A181 WeakPolarHBondContact O-CB 3.3Å; A177-A181 PolarHBondContact O-N 2.96Å; Q178-A181 PolarHBondContact O-N 2.92Å; H179-A181 PolarHBondContact O-N 3.08Å; A181-N184 PolarHBondContact O-N 3.36Å; A181-Q185 WeakPolarHBondContact O-CB 3.31Å; A181-Q185 PolarHBondContact O-N 3.47Å
182L95.6Very high93.7Very high64 Ų6493 Ų9334%0.33550%0.497SS..Hα-helixtrans-64.4-45177.7-177.464.4000111.8Q178 H179 T180 Q185 K186Q178-L182 WeakPolarHBondContact O-CB 3.38Å; Q178-L182 PolarHBondContact O-N 3.47Å; H179-L182 PolarHBondContact O-N 3.03Å; T180-L182 VanDerWaalsContact C-N 3.34Å; T180-L182 PolarHBondContact O-N 3.26Å; L182-Q185 WeakPolarHBondContact O-CB 3.48Å; L182-Q185 PolarHBondContact O-N 3.28Å; L182-K186 WeakPolarHBondContact O-CG 3.48Å; L182-K186 PolarHBondContact O-N 2.93Å
183M94.8Very high93.7Very high95 Ų9591 Ų9147%0.46850%0.498SS..Hα-helixtrans-64.5-43.2178.5-71.7-59.3175.500111.5H179 T180 Q185 K186 T187H179-M183 WeakPolarHBondContact CD2-CG 3.29Å; H179-M183 WeakPolarHBondContact NE2-CE 3.31Å; H179-M183 WeakPolarHBondContact NE2-CG 3.3Å; H179-M183 WeakPolarHBondContact O-CG 3.42Å; H179-M183 PolarHBondContact O-N 3.22Å; T180-M183 PolarHBondContact O-N 2.93Å; M183-Q185 VanDerWaalsContact C-N 3.29Å; M183-Q185 PolarHBondContact O-N 3.15Å; M183-K186 PolarHBondContact O-N 2.99Å; M183-K186 VanDerWaalsContact O-N 3.13Å; M183-T187 PolarHBondContact O-N 3.4Å; M183-T187 PolarHBondContact O-OG1 3.24Å; M183-T187 VanDerWaalsContact O-OG1 3.05Å
184N93.9Very high93.8Very high103 Ų10392.7 Ų92.755%0.55150%0.499SS*.Hα-helixtrans-60.2-40.8174-77-20000111.9T180 A181 K186 T187 K188T180-N184 WeakPolarHBondContact O-CB 3.46Å; T180-N184 PolarHBondContact O-N 3.05Å; T180-N184 PolarHBondContact O-ND2 3.39Å; A181-N184 PolarHBondContact O-N 3.36Å; N184-K186 VanDerWaalsContact C-N 3.33Å; N184-K186 PolarHBondContact O-N 2.94Å; N184-T187 PolarHBondContact O-N 3.41Å; N184-K188 WeakPolarHBondContact O-CB 3.31Å; N184-K188 PolarHBondContact O-N 2.96Å
185Q95Very high93.8Very high113 Ų11389.2 Ų89.253%0.52849%0.487SS..Hα-helixtrans-61.9-42.2175-173.5-173.317.400111.5A181 L182 M183 K188 Q189A181-Q185 WeakPolarHBondContact O-CB 3.31Å; A181-Q185 PolarHBondContact O-N 3.47Å; L182-Q185 WeakPolarHBondContact O-CB 3.48Å; L182-Q185 PolarHBondContact O-N 3.28Å; M183-Q185 VanDerWaalsContact C-N 3.29Å; M183-Q185 PolarHBondContact O-N 3.15Å; Q185-K188 PolarHBondContact O-N 3.33Å; Q185-Q189 WeakPolarHBondContact O-CB 3.45Å; Q185-Q189 PolarHBondContact O-N 3.32Å
186K91.3Very high93.8Very high64 Ų6486.6 Ų86.628%0.27848%0.482SS..Hα-helixtrans-66.7-45.5178.5-71.1-65.7-179.7-172.20112.2L182 M183 N184 K188 Q189 I190L182-K186 WeakPolarHBondContact O-CG 3.48Å; L182-K186 PolarHBondContact O-N 2.93Å; M183-K186 PolarHBondContact O-N 2.99Å; M183-K186 VanDerWaalsContact O-N 3.13Å; N184-K186 VanDerWaalsContact C-N 3.33Å; N184-K186 PolarHBondContact O-N 2.94Å; K186-K188 VanDerWaalsContact C-N 3.33Å; K186-K188 PolarHBondContact O-N 3.11Å; K186-Q189 WeakPolarHBondContact O-CB 3.27Å; K186-Q189 PolarHBondContact O-N 2.91Å; K186-I190 WeakPolarHBondContact O-CG1 3.11Å; K186-I190 PolarHBondContact O-N 3.26Å
187T92.9Very high93.7Very high73 Ų7386.1 Ų86.145%0.44848%0.482SS..Hα-helixtrans-57-49.2174.8-57.50000110.3M183 N184 Q189 I190 E191M183-T187 PolarHBondContact O-N 3.4Å; M183-T187 PolarHBondContact O-OG1 3.24Å; M183-T187 VanDerWaalsContact O-OG1 3.05Å; N184-T187 PolarHBondContact O-N 3.41Å; T187-Q189 VanDerWaalsContact C-N 3.32Å; T187-Q189 PolarHBondContact O-N 3.47Å; T187-I190 WeakPolarHBondContact O-CB 3.49Å; T187-I190 PolarHBondContact O-N 2.96Å; T187-E191 HydrophobicContact CG2-CG 4.45Å; T187-E191 WeakPolarHBondContact O-CG 3.28Å; T187-E191 PolarHBondContact O-N 3.08Å
188K94Very high93.6Very high128 Ų12889 Ų8956%0.55749%0.486SS*.Hα-helixtrans-58.9-42.8177.5-175.6174.9179.6174.60112.6N184 Q185 K186 I190 E191 D192N184-K188 WeakPolarHBondContact O-CB 3.31Å; N184-K188 PolarHBondContact O-N 2.96Å; Q185-K188 PolarHBondContact O-N 3.33Å; K186-K188 VanDerWaalsContact C-N 3.33Å; K186-K188 PolarHBondContact O-N 3.11Å; K188-I190 VanDerWaalsContact C-N 3.27Å; K188-I190 PolarHBondContact O-N 3.19Å; K188-E191 PolarHBondContact O-N 3.3Å; K188-D192 WeakPolarHBondContact O-CB 3.49Å; K188-D192 PolarHBondContact O-N 3.07Å
189Q93.5Very high93.4Very high104 Ų10486 Ų8649%0.48648%0.477SS..Hα-helixtrans-61.3-37.1177.3-124.7166.986.700112.4Q185 K186 T187 A193Q185-Q189 WeakPolarHBondContact O-CB 3.45Å; Q185-Q189 PolarHBondContact O-N 3.32Å; K186-Q189 WeakPolarHBondContact O-CB 3.27Å; K186-Q189 PolarHBondContact O-N 2.91Å; T187-Q189 VanDerWaalsContact C-N 3.32Å; T187-Q189 PolarHBondContact O-N 3.47Å; Q189-A193 VanDerWaalsContact O-CB 3.3Å; Q189-A193 WeakPolarHBondContact O-CB 3.27Å; Q189-A193 PolarHBondContact O-N 3.49Å; Q189-A193 VanDerWaalsContact O-N 3.13Å
190I94.6Very high93.1Very high103 Ų10383.5 Ų83.553%0.52847%0.474SS..Hα-helixtrans-69.2-46175.7-66.6164.4000110.1K186 T187 K188 A193 I194K186-I190 WeakPolarHBondContact O-CG1 3.11Å; K186-I190 PolarHBondContact O-N 3.26Å; T187-I190 WeakPolarHBondContact O-CB 3.49Å; T187-I190 PolarHBondContact O-N 2.96Å; K188-I190 VanDerWaalsContact C-N 3.27Å; K188-I190 PolarHBondContact O-N 3.19Å; I190-A193 PolarHBondContact O-N 3.28Å; I190-I194 HydrophobicContact CG2-CD1 3.67Å; I190-I194 HydrophobicContact CG2-CG1 4.35Å; I190-I194 VanDerWaalsContact O-CG1 3.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.43Å; I190-I194 PolarHBondContact O-N 3.42Å
191E92.7Very high92.9Very high119 Ų11985.8 Ų85.856%0.55648%0.48SS*.Hα-helixtrans-59.8-47.7178.3-70.8178.4116.100111.7T187 K188 A193 I194 A195T187-E191 HydrophobicContact CG2-CG 4.45Å; T187-E191 WeakPolarHBondContact O-CG 3.28Å; T187-E191 PolarHBondContact O-N 3.08Å; K188-E191 PolarHBondContact O-N 3.3Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 2.9Å; E191-I194 PolarHBondContact O-N 3.3Å; E191-A195 WeakPolarHBondContact O-CB 3.3Å; E191-A195 PolarHBondContact O-N 2.77Å
192D94.1Very high92.3Very high94 Ų9488.8 Ų88.850%0.50348%0.484SS..Hα-helixtrans-61.7-40.7177.9-72.4-21.9000111.3K188 A195 A196K188-D192 WeakPolarHBondContact O-CB 3.49Å; K188-D192 PolarHBondContact O-N 3.07Å; D192-A195 PolarHBondContact O-N 2.87Å; D192-A196 VanDerWaalsContact O-CB 3.28Å; D192-A196 WeakPolarHBondContact O-CB 3.32Å; D192-A196 PolarHBondContact O-N 3.02Å
193A92.6Very high91.7Very high61 Ų6191.5 Ų91.550%0.50450%0.495SS..Hα-helixtrans-67.6-40.2177.600000112.5Q189 I190 E191 A197Q189-A193 VanDerWaalsContact O-CB 3.3Å; Q189-A193 WeakPolarHBondContact O-CB 3.27Å; Q189-A193 PolarHBondContact O-N 3.49Å; Q189-A193 VanDerWaalsContact O-N 3.13Å; I190-A193 PolarHBondContact O-N 3.28Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 2.9Å; A193-A197 VanDerWaalsContact O-CB 3.31Å; A193-A197 WeakPolarHBondContact O-CB 3.39Å; A193-A197 PolarHBondContact O-N 2.89Å
194I94.9Very high91.2Very high88 Ų8893 Ų9345%0.45150%0.5SS..Hα-helixtrans-64.7-47.8175.4-69.9168.4000109.8I190 E191 A196 A197 Q198I190-I194 HydrophobicContact CG2-CD1 3.67Å; I190-I194 HydrophobicContact CG2-CG1 4.35Å; I190-I194 VanDerWaalsContact O-CG1 3.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.43Å; I190-I194 PolarHBondContact O-N 3.42Å; E191-I194 PolarHBondContact O-N 3.3Å; I194-A196 PolarHBondContact O-N 3.07Å; I194-A197 PolarHBondContact O-N 3.25Å; I194-Q198 HydrophobicContact CG2-CG 4.36Å; I194-Q198 WeakPolarHBondContact O-CB 3.38Å; I194-Q198 WeakPolarHBondContact O-CG 3.31Å; I194-Q198 PolarHBondContact O-N 3.43Å
195A93.7Very high90.6Very high47 Ų4792.7 Ų92.739%0.38850%0.497SS..Hα-helixtrans-59.3-47.4178.700000111E191 D192 A197 Q198 T199E191-A195 WeakPolarHBondContact O-CB 3.3Å; E191-A195 PolarHBondContact O-N 2.77Å; D192-A195 PolarHBondContact O-N 2.87Å; A195-A197 PolarHBondContact O-N 2.91Å; A195-Q198 PolarHBondContact O-N 3.27Å; A195-T199 PolarHBondContact O-N 2.56Å; A195-T199 PolarHBondContact O-OG1 3.49Å; A195-T199 VanDerWaalsContact O-OG1 3.07Å
196A93.6Very high89.7Confident61 Ų6187.9 Ų87.950%0.50448%0.477SS..Hα-helixtrans-61.1-42.4177.100000112.5D192 I194 T199 A200D192-A196 VanDerWaalsContact O-CB 3.28Å; D192-A196 WeakPolarHBondContact O-CB 3.32Å; D192-A196 PolarHBondContact O-N 3.02Å; I194-A196 PolarHBondContact O-N 3.07Å; A196-T199 PolarHBondContact O-N 2.94Å; A196-A200 WeakPolarHBondContact O-CB 3.47Å; A196-A200 PolarHBondContact O-N 2.93Å
197A92Very high89Confident61 Ų6187.4 Ų87.450%0.50449%0.49SS..Hα-helixtrans-64.9-40.517700000112A193 I194 A195 A200 Q201A193-A197 VanDerWaalsContact O-CB 3.31Å; A193-A197 WeakPolarHBondContact O-CB 3.39Å; A193-A197 PolarHBondContact O-N 2.89Å; I194-A197 PolarHBondContact O-N 3.25Å; A195-A197 PolarHBondContact O-N 2.91Å; A197-A200 PolarHBondContact O-N 3.42Å; A197-Q201 VanDerWaalsContact O-CB 3.31Å; A197-Q201 WeakPolarHBondContact O-CB 3.4Å; A197-Q201 PolarHBondContact O-N 3.41Å
198Q91.4Very high88.3Confident120 Ų12090.6 Ų90.656%0.56150%0.5SS*.Hα-helixtrans-63.7-45.9175.3-75.1177.9-13.700111.5I194 A195 Q201 Q202I194-Q198 HydrophobicContact CG2-CG 4.36Å; I194-Q198 WeakPolarHBondContact O-CB 3.38Å; I194-Q198 WeakPolarHBondContact O-CG 3.31Å; I194-Q198 PolarHBondContact O-N 3.43Å; A195-Q198 PolarHBondContact O-N 3.27Å; Q198-Q201 PolarHBondContact O-N 2.94Å; Q198-Q202 WeakPolarHBondContact O-CB 3.49Å; Q198-Q202 PolarHBondContact O-N 3.46Å
199T87.1Confident87.4Confident73 Ų7391.7 Ų91.745%0.44851%0.507SS..Hα-helixtrans-59.6-48.7176.1-58.30000110.9A195 A196 Q201 Q202 E203A195-T199 PolarHBondContact O-N 2.56Å; A195-T199 PolarHBondContact O-OG1 3.49Å; A195-T199 VanDerWaalsContact O-OG1 3.07Å; A196-T199 PolarHBondContact O-N 2.94Å; T199-Q201 VanDerWaalsContact C-N 3.33Å; T199-Q201 PolarHBondContact O-N 2.91Å; T199-Q202 WeakPolarHBondContact O-CB 3.32Å; T199-Q202 PolarHBondContact O-N 3.31Å; T199-Q202 VanDerWaalsContact O-N 3.14Å; T199-E203 HydrophobicContact CG2-CG 4.49Å; T199-E203 WeakPolarHBondContact O-CG 3.36Å; T199-E203 PolarHBondContact O-N 3.14Å
200A88.2Confident86.3Confident53 Ų5389.5 Ų89.544%0.43851%0.512SS..Hα-helixtrans-61.1-41.4178.300000112.1A196 A197 Q202 E203 Q204A196-A200 WeakPolarHBondContact O-CB 3.47Å; A196-A200 PolarHBondContact O-N 2.93Å; A197-A200 PolarHBondContact O-N 3.42Å; A200-Q202 VanDerWaalsContact C-N 3.34Å; A200-E203 PolarHBondContact O-N 3.38Å; A200-Q204 WeakPolarHBondContact O-CB 3.44Å; A200-Q204 PolarHBondContact O-N 2.88Å
201Q89.5Confident84.9Confident117 Ų11788.7 Ų88.755%0.54751%0.508SS..Hα-helixtrans-64.6-40.2175.9-168.2-177.523.600111.6A197 Q198 T199 Q204 M205A197-Q201 VanDerWaalsContact O-CB 3.31Å; A197-Q201 WeakPolarHBondContact O-CB 3.4Å; A197-Q201 PolarHBondContact O-N 3.41Å; Q198-Q201 PolarHBondContact O-N 2.94Å; T199-Q201 VanDerWaalsContact C-N 3.33Å; T199-Q201 PolarHBondContact O-N 2.91Å; Q201-Q204 PolarHBondContact O-N 3.39Å; Q201-M205 HydrophobicContact CG-CE 4.12Å; Q201-M205 WeakPolarHBondContact O-CG 3.5Å; Q201-M205 PolarHBondContact O-N 2.9Å
202Q82.9Confident83.7Confident124 Ų12486.7 Ų86.758%0.57950%0.504SS*.Hα-helixtrans-66.5-42.8177.9-172.2171.915.100111.7Q198 T199 A200 M205 A206Q198-Q202 WeakPolarHBondContact O-CB 3.49Å; Q198-Q202 PolarHBondContact O-N 3.46Å; T199-Q202 WeakPolarHBondContact O-CB 3.32Å; T199-Q202 PolarHBondContact O-N 3.31Å; T199-Q202 VanDerWaalsContact O-N 3.14Å; A200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-M205 PolarHBondContact O-N 2.86Å; Q202-A206 VanDerWaalsContact O-CB 3.28Å; Q202-A206 WeakPolarHBondContact O-CB 3.1Å; Q202-A206 PolarHBondContact O-N 2.86Å
203E82.6Confident82.2Confident120 Ų12086.5 Ų86.556%0.56150%0.503SS*.Hα-helixtrans-62.4-41.8174-73.1-178.1105.400111.7T199 A200 A206 G207T199-E203 HydrophobicContact CG2-CG 4.49Å; T199-E203 WeakPolarHBondContact O-CG 3.36Å; T199-E203 PolarHBondContact O-N 3.14Å; A200-E203 PolarHBondContact O-N 3.38Å; E203-A206 PolarHBondContact O-N 2.92Å; E203-G207 PolarHBondContact O-N 3.16Å
204Q84.7Confident80.8Confident126 Ų12693.6 Ų93.659%0.58952%0.516SS*.Hα-helixtrans-62.2-51176.5-169.3-166.6-47.800111.4A200 Q201 A206 G207 E208A200-Q204 WeakPolarHBondContact O-CB 3.44Å; A200-Q204 PolarHBondContact O-N 2.88Å; Q201-Q204 PolarHBondContact O-N 3.39Å; Q204-A206 VanDerWaalsContact C-N 3.3Å; Q204-A206 PolarHBondContact O-N 3.48Å; Q204-G207 PolarHBondContact O-N 2.95Å; Q204-G207 VanDerWaalsContact O-N 3.16Å; Q204-E208 PolarHBondContact NE2-OE2 3.49Å; Q204-E208 WeakPolarHBondContact O-CG 3.33Å; Q204-E208 PolarHBondContact O-N 3.41Å
205M81.1Confident79.5Confident97 Ų9794.7 Ų94.748%0.47852%0.523SS..Hα-helixtrans-61.9-38.3178.3-72.3-173.7-62.200112Q201 Q202 E208 Q209Q201-M205 HydrophobicContact CG-CE 4.12Å; Q201-M205 WeakPolarHBondContact O-CG 3.5Å; Q201-M205 PolarHBondContact O-N 2.9Å; Q202-M205 PolarHBondContact O-N 2.86Å; M205-E208 PolarHBondContact O-N 2.8Å; M205-Q209 VanDerWaalsContact O-CG 3.25Å; M205-Q209 WeakPolarHBondContact O-CG 3.44Å; M205-Q209 PolarHBondContact O-N 2.79Å
206A77.4Confident78.4Confident13 Ų1398.6 Ų98.611%0.10753%0.531CS..Hα-helixtrans-63.2-42.7175.300000111.5Q202 E203 Q204 Q209 G210 I211 L213Q202-A206 VanDerWaalsContact O-CB 3.28Å; Q202-A206 WeakPolarHBondContact O-CB 3.1Å; Q202-A206 PolarHBondContact O-N 2.86Å; E203-A206 PolarHBondContact O-N 2.92Å; Q204-A206 VanDerWaalsContact C-N 3.3Å; Q204-A206 PolarHBondContact O-N 3.48Å; A206-Q209 CarbonylContact O-C 3.6Å; A206-Q209 PolarHBondContact O-N 2.97Å; A206-G210 PolarHBondContact O-N 3.07Å; A206-I211 CarbonylContact C-O 3.47Å; A206-I211 HydrophobicContact CB-CB 4.42Å; A206-I211 WeakPolarHBondContact O-CA 3.49Å; A206-I211 PolarHBondContact O-N 2.64Å; A206-L213 HydrophobicContact CB-CD1 3.38Å
207G76.3Confident77.2Confident54 Ų5499.9 Ų99.956%0.55753%0.53SS*.Hα-helixtrans-62.5-41.8174.500000113.5E203 Q204 Q209 G210E203-G207 PolarHBondContact O-N 3.16Å; Q204-G207 PolarHBondContact O-N 2.95Å; Q204-G207 VanDerWaalsContact O-N 3.16Å; G207-Q209 VanDerWaalsContact C-N 3.29Å; G207-Q209 PolarHBondContact O-N 3.29Å; G207-G210 PolarHBondContact O-N 3.02Å
208E78.1Confident76.3Confident139 Ų13999.4 Ų99.465%0.6553%0.53SS*.Hα-helixtrans-64.7-32.7176.1-72.9-178.68200112.6Q204 M205 G210Q204-E208 PolarHBondContact NE2-OE2 3.49Å; Q204-E208 WeakPolarHBondContact O-CG 3.33Å; Q204-E208 PolarHBondContact O-N 3.41Å; M205-E208 PolarHBondContact O-N 2.8Å; E208-G210 PolarHBondContact O-N 2.54Å
209Q75Confident75.5Confident152 Ų15298.1 Ų98.171%0.7153%0.531SS*.THydrogen-bonded Turntrans-83.94.3174.8-62-69.11.900113.1M205 A206 G207 I211M205-Q209 VanDerWaalsContact O-CG 3.25Å; M205-Q209 WeakPolarHBondContact O-CG 3.44Å; M205-Q209 PolarHBondContact O-N 2.79Å; A206-Q209 CarbonylContact O-C 3.6Å; A206-Q209 PolarHBondContact O-N 2.97Å; G207-Q209 VanDerWaalsContact C-N 3.29Å; G207-Q209 PolarHBondContact O-N 3.29Å; Q209-I211 HydrophobicContact CB-CD1 4.17Å; Q209-I211 HydrophobicContact CB-CG1 4.07Å; Q209-I211 PolarHBondContact O-N 3.25Å
210G70.1Confident74.8Confident58 Ų5898.3 Ų98.360%0.59853%0.529SS*.THydrogen-bonded Turntrans66.416.3-177.100000114A206 G207 E208 V212A206-G210 PolarHBondContact O-N 3.07Å; G207-G210 PolarHBondContact O-N 3.02Å; E208-G210 PolarHBondContact O-N 2.54Å; G210-V212 PolarHBondContact O-N 3.42Å
211I66.1Low74Confident86 Ų8699.6 Ų99.644%0.44153%0.525SS..  trans-89.1103177.4-56.3179.1000108.1A206 Q209 L213A206-I211 CarbonylContact C-O 3.47Å; A206-I211 HydrophobicContact CB-CB 4.42Å; A206-I211 WeakPolarHBondContact O-CA 3.49Å; A206-I211 PolarHBondContact O-N 2.64Å; Q209-I211 HydrophobicContact CB-CD1 4.17Å; Q209-I211 HydrophobicContact CB-CG1 4.07Å; Q209-I211 PolarHBondContact O-N 3.25Å; I211-L213 HydrophobicContact CG2-CD1 4.4Å; I211-L213 PolarHBondContact O-N 3.49Å
212V65.6Low73.3Confident77 Ų7797.4 Ų97.447%0.46752%0.521SS..  trans-80.5100.2174.9-178.50000108.4G210 R214 D215G210-V212 PolarHBondContact O-N 3.42Å; V212-R214 HydrophobicContact CG1-CB 3.91Å; V212-R214 PolarHBondContact O-N 3.25Å; V212-D215 HydrophobicContact CB-CB 4.4Å; V212-D215 VanDerWaalsContact CB-OD2 3.25Å; V212-D215 WeakPolarHBondContact CB-OD2 3.35Å; V212-D215 HydrophobicContact CG1-CB 4.44Å; V212-D215 WeakPolarHBondContact CG1-OD2 3.39Å; V212-D215 PolarHBondContact O-N 3.44Å
213L63Low72.8Confident90 Ų9095.6 Ų95.647%0.47152%0.515SS..Hα-helixtrans-53.8-27175.8-103.272.1000112.8A206 I211 D215 F216 D217A206-L213 HydrophobicContact CB-CD1 3.38Å; I211-L213 HydrophobicContact CG2-CD1 4.4Å; I211-L213 PolarHBondContact O-N 3.49Å; L213-D215 VanDerWaalsContact C-N 3.34Å; L213-D215 PolarHBondContact O-N 3.39Å; L213-F216 WeakPolarHBondContact O-CB 3.45Å; L213-F216 PolarHBondContact O-N 3.3Å; L213-D217 PolarHBondContact O-N 2.77Å; L213-D217 VanDerWaalsContact O-N 3.13Å
214R64.8Low72.2Confident210 Ų21094.5 Ų94.579%0.79251%0.512SS*.Hα-helixtrans-70.7-26.2179.4-145.416489.1169.38.2113.8V212 D217 G218V212-R214 HydrophobicContact CG1-CB 3.91Å; V212-R214 PolarHBondContact O-N 3.25Å; R214-D217 PolarHBondContact O-N 3.13Å; R214-G218 PolarHBondContact O-N 3.1Å; R214-G218 VanDerWaalsContact O-N 3.1Å
215D67.1Low71.4Confident111 Ų11194.2 Ų94.259%0.59451%0.51SS*.Hα-helixtrans-74.5-34.2173.7-70.8-37.4000110.8V212 L213 G218 V219V212-D215 HydrophobicContact CB-CB 4.4Å; V212-D215 VanDerWaalsContact CB-OD2 3.25Å; V212-D215 WeakPolarHBondContact CB-OD2 3.35Å; V212-D215 HydrophobicContact CG1-CB 4.44Å; V212-D215 WeakPolarHBondContact CG1-OD2 3.39Å; V212-D215 PolarHBondContact O-N 3.44Å; L213-D215 VanDerWaalsContact C-N 3.34Å; L213-D215 PolarHBondContact O-N 3.39Å; D215-G218 PolarHBondContact O-N 3.42Å; D215-V219 WeakPolarHBondContact O-CG2 3.21Å; D215-V219 PolarHBondContact O-N 3.44Å; D215-V219 VanDerWaalsContact O-N 3.12Å
216F69.8Low70.7Confident129 Ų12993 Ų9357%0.56651%0.511SS*.Hα-helixtrans-62.6-43.2169.5-94.7-86.3000111.3L213 G218 V219 L220L213-F216 WeakPolarHBondContact O-CB 3.45Å; L213-F216 PolarHBondContact O-N 3.3Å; F216-G218 VanDerWaalsContact C-N 3.31Å; F216-G218 PolarHBondContact O-N 3.33Å; F216-V219 PolarHBondContact O-N 3.13Å; F216-L220 HydrophobicContact CB-CD1 4.28Å; F216-L220 HydrophobicContact CD1-CD1 4.27Å; F216-L220 WeakPolarHBondContact O-CB 3.45Å; F216-L220 WeakPolarHBondContact O-CG 3.21Å; F216-L220 PolarHBondContact O-N 3.04Å
217D69.6Low70Confident88 Ų8895.6 Ų95.647%0.47153%0.528SS..Hα-helixtrans-61.4-39.1175.8-163.8-107.8000111.9L213 R214 V219 L220 Q221L213-D217 PolarHBondContact O-N 2.77Å; L213-D217 VanDerWaalsContact O-N 3.13Å; R214-D217 PolarHBondContact O-N 3.13Å; D217-V219 VanDerWaalsContact C-N 3.33Å; D217-V219 PolarHBondContact O-N 3.23Å; D217-L220 PolarHBondContact O-N 3.5Å; D217-Q221 WeakPolarHBondContact O-CB 3.45Å; D217-Q221 WeakPolarHBondContact O-CG 3.48Å; D217-Q221 PolarHBondContact O-N 3.02Å
218G71.9Confident69.4Low50 Ų5096 Ų9652%0.51552%0.52SS..Hα-helixtrans-64.6-30.8174.700000114.7R214 D215 F216 P222R214-G218 PolarHBondContact O-N 3.1Å; R214-G218 VanDerWaalsContact O-N 3.1Å; D215-G218 PolarHBondContact O-N 3.42Å; F216-G218 VanDerWaalsContact C-N 3.31Å; F216-G218 PolarHBondContact O-N 3.33Å; G218-P222 WeakPolarHBondContact O-CD 3.4Å
219V74.2Confident68.6Low93 Ų9397.4 Ų97.456%0.56452%0.524SS*.Hα-helixtrans-83.6-34.7174.1176.40000111.5D215 F216 D217 P222D215-V219 WeakPolarHBondContact O-CG2 3.21Å; D215-V219 PolarHBondContact O-N 3.44Å; D215-V219 VanDerWaalsContact O-N 3.12Å; F216-V219 PolarHBondContact O-N 3.13Å; D217-V219 VanDerWaalsContact C-N 3.33Å; D217-V219 PolarHBondContact O-N 3.23Å; V219-P222 WeakPolarHBondContact O-CG 3.25Å
220L72.3Confident67.9Low78 Ų7896 Ų9641%0.40852%0.521SS..Hα-helixtrans-81.3-35.9-176.6-70.6171.2000112.7F216 D217 I223 I224F216-L220 HydrophobicContact CB-CD1 4.28Å; F216-L220 HydrophobicContact CD1-CD1 4.27Å; F216-L220 WeakPolarHBondContact O-CB 3.45Å; F216-L220 WeakPolarHBondContact O-CG 3.21Å; F216-L220 PolarHBondContact O-N 3.04Å; D217-L220 PolarHBondContact O-N 3.5Å; L220-I223 CarbonylContact O-C 3.34Å; L220-I223 WeakPolarHBondContact O-CA 3.48Å; L220-I223 WeakPolarHBondContact O-CB 3.28Å; L220-I223 PolarHBondContact O-N 3.29Å; L220-I224 HydrophobicContact CB-CD1 3.98Å; L220-I224 WeakPolarHBondContact O-CB 3.25Å; L220-I224 WeakPolarHBondContact O-CG1 3.07Å; L220-I224 PolarHBondContact O-N 3.43Å
221Q72.9Confident67.6Low79 Ų7996.2 Ų96.237%0.36951%0.513SS..Hα-helixtrans-48.7-55.8176.5-98.8-74.2-44.500113.1D217 I223 I224 E225D217-Q221 WeakPolarHBondContact O-CB 3.45Å; D217-Q221 WeakPolarHBondContact O-CG 3.48Å; D217-Q221 PolarHBondContact O-N 3.02Å; Q221-I223 PolarHBondContact O-N 3.22Å; Q221-I224 PolarHBondContact O-N 3.46Å; Q221-I224 VanDerWaalsContact O-N 3.13Å; Q221-E225 WeakPolarHBondContact O-CB 3.23Å; Q221-E225 WeakPolarHBondContact O-CG 3.11Å; Q221-E225 PolarHBondContact O-N 3.45Å; Q221-E225 PolarHBondContact OE1-OE2 3.07Å
222P73.5Confident67.5Low71 Ų7196.4 Ų96.446%0.46151%0.514SS..Hα-helixtrans-64-29.4179.422.6-32.3000112.6G218 V219 S226G218-P222 WeakPolarHBondContact O-CD 3.4Å; V219-P222 WeakPolarHBondContact O-CG 3.25Å; P222-S226 WeakPolarHBondContact O-CB 3.46Å; P222-S226 PolarHBondContact O-N 2.82Å; P222-S226 PolarHBondContact O-OG 3.23Å
223I71.8Confident67.3Low87 Ų8795.3 Ų95.345%0.44651%0.51SS..Hα-helixtrans-72.3-43.8174.5-61.1172.5000110.4L220 Q221 S226 C227L220-I223 CarbonylContact O-C 3.34Å; L220-I223 WeakPolarHBondContact O-CA 3.48Å; L220-I223 WeakPolarHBondContact O-CB 3.28Å; L220-I223 PolarHBondContact O-N 3.29Å; Q221-I223 PolarHBondContact O-N 3.22Å; I223-S226 WeakPolarHBondContact CA-OG 3.48Å; I223-S226 PolarHBondContact O-N 3.5Å; I223-S226 PolarHBondContact O-OG 2.77Å; I223-C227 WeakPolarHBondContact O-CB 3.28Å; I223-C227 PolarHBondContact O-N 3.16Å; I223-C227 PolarHBondContact O-SG 3.04Å; I223-C227 VanDerWaalsContact O-SG 3.34Å
224I71.5Confident67.3Low96 Ų9693.8 Ų93.849%0.49251%0.511SS..Hα-helixtrans-64.8-43.5177.6-67.1162.9000110.6L220 Q221 C227 T228L220-I224 HydrophobicContact CB-CD1 3.98Å; L220-I224 WeakPolarHBondContact O-CB 3.25Å; L220-I224 WeakPolarHBondContact O-CG1 3.07Å; L220-I224 PolarHBondContact O-N 3.43Å; Q221-I224 PolarHBondContact O-N 3.46Å; Q221-I224 VanDerWaalsContact O-N 3.13Å; I224-C227 CarbonylContact O-C 3.22Å; I224-C227 PolarHBondContact O-N 3.06Å; I224-T228 PolarHBondContact O-N 2.89Å
225E67.4Low67.3Low120 Ų12085.6 Ų85.656%0.56149%0.492SS*.Hα-helixtrans-66.5-39.3175.1-70.8-175.5107.700111.5Q221 C227 T228Q221-E225 WeakPolarHBondContact O-CB 3.23Å; Q221-E225 WeakPolarHBondContact O-CG 3.11Å; Q221-E225 PolarHBondContact O-N 3.45Å; Q221-E225 PolarHBondContact OE1-OE2 3.07Å; E225-C227 VanDerWaalsContact C-N 3.31Å; E225-C227 PolarHBondContact O-N 3.4Å; E225-T228 WeakPolarHBondContact O-CB 3.15Å; E225-T228 WeakPolarHBondContact O-CG2 3.18Å; E225-T228 PolarHBondContact O-N 3.37Å; E225-T228 PolarHBondContact O-OG1 3.21Å
226S67.3Low67.1Low71 Ų7185.4 Ų85.450%0.49749%0.49SS..Hα-helixtrans-69-28.5172.778.40000113.2P222 I223 T228 S231P222-S226 WeakPolarHBondContact O-CB 3.46Å; P222-S226 PolarHBondContact O-N 2.82Å; P222-S226 PolarHBondContact O-OG 3.23Å; I223-S226 WeakPolarHBondContact CA-OG 3.48Å; I223-S226 PolarHBondContact O-N 3.5Å; I223-S226 PolarHBondContact O-OG 2.77Å; S226-T228 PolarHBondContact O-N 2.97Å; S226-S231 WeakPolarHBondContact O-CB 3.44Å; S226-S231 PolarHBondContact O-OG 2.75Å
227C61.5Low66.6Low69 Ų6987.4 Ų87.447%0.46649%0.494SS..THydrogen-bonded Turntrans-89.420.9175.1-75.40000112.4I223 I224 E225 K229 I232I223-C227 WeakPolarHBondContact O-CB 3.28Å; I223-C227 PolarHBondContact O-N 3.16Å; I223-C227 PolarHBondContact O-SG 3.04Å; I223-C227 VanDerWaalsContact O-SG 3.34Å; I224-C227 CarbonylContact O-C 3.22Å; I224-C227 PolarHBondContact O-N 3.06Å; E225-C227 VanDerWaalsContact C-N 3.31Å; E225-C227 PolarHBondContact O-N 3.4Å; C227-K229 PolarHBondContact O-N 3.34Å; C227-I232 HydrophobicContact CB-CD1 4.28Å; C227-I232 WeakPolarHBondContact O-CD1 3.36Å
228T64.5Low66.3Low62 Ų6286.5 Ų86.538%0.3849%0.494SS..  trans-53.4140.1167.928.60000109.9I224 E225 S226 D230 S231 I232I224-T228 PolarHBondContact O-N 2.89Å; E225-T228 WeakPolarHBondContact O-CB 3.15Å; E225-T228 WeakPolarHBondContact O-CG2 3.18Å; E225-T228 PolarHBondContact O-N 3.37Å; E225-T228 PolarHBondContact O-OG1 3.21Å; S226-T228 PolarHBondContact O-N 2.97Å; T228-D230 PolarHBondContact O-N 3.35Å; T228-S231 PolarHBondContact O-N 3.19Å; T228-S231 PolarHBondContact OG1-OG 2.93Å; T228-S231 VanDerWaalsContact OG1-OG 3.07Å; T228-I232 PolarHBondContact O-N 3.04Å; T228-I232 VanDerWaalsContact O-N 3.16Å
229K60.6Low66Low169 Ų16990.1 Ų90.174%0.73550%0.5SS*.Hα-helixtrans-45.9-38.6176.1-175.1-179.5177.4-1770111C227 S233C227-K229 PolarHBondContact O-N 3.34Å; K229-S233 WeakPolarHBondContact O-CA 3.43Å; K229-S233 WeakPolarHBondContact O-CB 3.18Å; K229-S233 PolarHBondContact O-N 2.8Å; K229-S233 PolarHBondContact O-OG 2.8Å
230D59.7Low65.6Low122 Ų12289.9 Ų89.965%0.65250%0.498SS*.Hα-helixtrans-66-38.4177.6-59.1-86.5000114.2T228 A234T228-D230 PolarHBondContact O-N 3.35Å; D230-A234 WeakPolarHBondContact O-CB 3.44Å; D230-A234 PolarHBondContact O-N 3.25Å
231S65.1Low65Low62 Ų6290 Ų9043%0.43450%0.497SS..Hα-helixtrans-71.7-39.4178.1-60.80000111.9S226 T228 G235S226-S231 WeakPolarHBondContact O-CB 3.44Å; S226-S231 PolarHBondContact O-OG 2.75Å; T228-S231 PolarHBondContact O-N 3.19Å; T228-S231 PolarHBondContact OG1-OG 2.93Å; T228-S231 VanDerWaalsContact OG1-OG 3.07Å; S231-G235 PolarHBondContact O-N 3.12Å
232I63Low64.5Low90 Ų9094.9 Ų94.946%0.46251%0.512SS..Hα-helixtrans-70.4-43.1174.1-59.2172.9000110.2C227 T228 L236C227-I232 HydrophobicContact CB-CD1 4.28Å; C227-I232 WeakPolarHBondContact O-CD1 3.36Å; T228-I232 PolarHBondContact O-N 3.04Å; T228-I232 VanDerWaalsContact O-N 3.16Å; I232-L236 HydrophobicContact CG2-CD1 3.93Å; I232-L236 WeakPolarHBondContact O-CB 3.46Å; I232-L236 WeakPolarHBondContact O-CD1 3.35Å; I232-L236 VanDerWaalsContact O-CG 3.28Å; I232-L236 WeakPolarHBondContact O-CG 3.46Å; I232-L236 PolarHBondContact O-N 2.77Å
233S61.9Low63.9Low54 Ų5498.5 Ų98.538%0.37852%0.521SS..Hα-helixtrans-64-45.5176.7-58.50000111.4K229 L236 W237K229-S233 WeakPolarHBondContact O-CA 3.43Å; K229-S233 WeakPolarHBondContact O-CB 3.18Å; K229-S233 PolarHBondContact O-N 2.8Å; K229-S233 PolarHBondContact O-OG 2.8Å; S233-L236 PolarHBondContact O-N 3.3Å; S233-W237 VanDerWaalsContact O-CB 3.23Å; S233-W237 WeakPolarHBondContact O-CB 3.43Å; S233-W237 PolarHBondContact O-N 3.38Å
234A62.9Low63.4Low59 Ų5997.5 Ų97.549%0.48852%0.521SS..Hα-helixtrans-67.5-38.3179.800000112.1D230 W237 S238D230-A234 WeakPolarHBondContact O-CB 3.44Å; D230-A234 PolarHBondContact O-N 3.25Å; A234-W237 PolarHBondContact O-N 3Å; A234-S238 WeakPolarHBondContact O-CB 3.15Å; A234-S238 PolarHBondContact O-N 3.43Å
235G65.3Low62.8Low38 Ų3899.1 Ų99.139%0.39253%0.525SS..Hα-helixtrans-61.8-47171.900000112.3S231 M239S231-G235 PolarHBondContact O-N 3.12Å; G235-M239 PolarHBondContact O-N 3.42Å
236L62.6Low62.2Low106 Ų10698.3 Ų98.356%0.55552%0.524SS*.Hα-helixtrans-62.3-43.6173.9-75.7165.7000111.9I232 S233 M239 V240I232-L236 HydrophobicContact CG2-CD1 3.93Å; I232-L236 WeakPolarHBondContact O-CB 3.46Å; I232-L236 WeakPolarHBondContact O-CD1 3.35Å; I232-L236 VanDerWaalsContact O-CG 3.28Å; I232-L236 WeakPolarHBondContact O-CG 3.46Å; I232-L236 PolarHBondContact O-N 2.77Å; S233-L236 PolarHBondContact O-N 3.3Å; L236-M239 PolarHBondContact O-N 2.75Å; L236-V240 WeakPolarHBondContact O-CB 3.14Å; L236-V240 WeakPolarHBondContact O-CG2 3.19Å; L236-V240 PolarHBondContact O-N 3.18Å
237W59.6Low61.6Low171 Ų17199.1 Ų99.165%0.64853%0.529SS*.Hα-helixtrans-68.2-39.3-179.3-142.183.7000111.9S233 A234 V240 Q241S233-W237 VanDerWaalsContact O-CB 3.23Å; S233-W237 WeakPolarHBondContact O-CB 3.43Å; S233-W237 PolarHBondContact O-N 3.38Å; A234-W237 PolarHBondContact O-N 3Å; W237-V240 PolarHBondContact O-N 2.84Å; W237-Q241 HydrophobicContact CE3-CG 3.89Å; W237-Q241 HydrophobicContact CH2-CG 4.5Å; W237-Q241 HydrophobicContact CZ3-CG 3.84Å; W237-Q241 VanDerWaalsContact CZ3-NE2 3.26Å; W237-Q241 WeakPolarHBondContact O-CB 3.19Å; W237-Q241 PolarHBondContact O-N 2.83Å
238S63.2Low61.2Low69 Ų69102 Ų10248%0.48354%0.538SS..Hα-helixtrans-64.9-42.5174-175.50000111.6A234 R242A234-S238 WeakPolarHBondContact O-CB 3.15Å; A234-S238 PolarHBondContact O-N 3.43Å; S238-R242 VanDerWaalsContact O-CB 3.26Å; S238-R242 WeakPolarHBondContact O-CB 3.36Å; S238-R242 PolarHBondContact O-N 3.43Å
239M65.1Low60.6Low126 Ų126105.8 Ų105.862%0.62156%0.555SS**Hα-helixtrans-63.9-47.5172.2-82.4-178.8175.400112G235 L236 Q241 R242 F243G235-M239 PolarHBondContact O-N 3.42Å; L236-M239 PolarHBondContact O-N 2.75Å; M239-Q241 PolarHBondContact O-N 2.84Å; M239-R242 PolarHBondContact O-N 3.46Å; M239-R242 VanDerWaalsContact O-N 3.1Å; M239-F243 VanDerWaalsContact O-CD2 3.23Å; M239-F243 WeakPolarHBondContact O-CD2 3.4Å; M239-F243 PolarHBondContact O-N 2.91Å
240V65.7Low60.1Low89 Ų89108 Ų10854%0.53956%0.561SS.*Hα-helixtrans-61.8-39.9178.4169.10000111.9L236 W237 S244L236-V240 WeakPolarHBondContact O-CB 3.14Å; L236-V240 WeakPolarHBondContact O-CG2 3.19Å; L236-V240 PolarHBondContact O-N 3.18Å; W237-V240 PolarHBondContact O-N 2.84Å; V240-S244 WeakPolarHBondContact O-CB 3.43Å; V240-S244 PolarHBondContact O-N 3.1Å; V240-S244 PolarHBondContact O-OG 2.97Å
241Q59.2Low59.6Low80 Ų80112.6 Ų112.637%0.37458%0.583SS.*Hα-helixtrans-64.9-39172.3-92.7-164.9-35.400112.3W237 M239 S244 K245W237-Q241 HydrophobicContact CE3-CG 3.89Å; W237-Q241 HydrophobicContact CH2-CG 4.5Å; W237-Q241 HydrophobicContact CZ3-CG 3.84Å; W237-Q241 VanDerWaalsContact CZ3-NE2 3.26Å; W237-Q241 WeakPolarHBondContact O-CB 3.19Å; W237-Q241 PolarHBondContact O-N 2.83Å; M239-Q241 PolarHBondContact O-N 2.84Å; Q241-S244 PolarHBondContact O-N 3.19Å; Q241-K245 WeakPolarHBondContact O-CB 3.26Å; Q241-K245 VanDerWaalsContact O-CG 3.31Å; Q241-K245 WeakPolarHBondContact O-CG 3.42Å; Q241-K245 PolarHBondContact O-N 3.48Å
242R63.1Low59.3Low182 Ų182115.1 Ų115.169%0.68759%0.59SS**Hα-helixtrans-70.3-36.4-180-162.4165.3178.3172-2.9111.7S238 M239 N246S238-R242 VanDerWaalsContact O-CB 3.26Å; S238-R242 WeakPolarHBondContact O-CB 3.36Å; S238-R242 PolarHBondContact O-N 3.43Å; M239-R242 PolarHBondContact O-N 3.46Å; M239-R242 VanDerWaalsContact O-N 3.1Å; R242-N246 WeakPolarHBondContact O-CB 3.31Å; R242-N246 VanDerWaalsContact O-CG 3.31Å; R242-N246 PolarHBondContact O-N 2.92Å; R242-N246 PolarHBondContact O-ND2 3.43Å; R242-N246 VanDerWaalsContact O-ND2 3.1Å
243F60.5Low59.1Low147 Ų147116.4 Ų116.465%0.64560%0.597SS**Hα-helixtrans-68.4-43.1170.1-82.2-74.2000112.3M239 K245 N246 C247M239-F243 VanDerWaalsContact O-CD2 3.23Å; M239-F243 WeakPolarHBondContact O-CD2 3.4Å; M239-F243 PolarHBondContact O-N 2.91Å; F243-K245 PolarHBondContact O-N 2.88Å; F243-N246 PolarHBondContact O-N 3.36Å; F243-C247 PolarHBondContact O-N 3.05Å
244S61.3Low59Low66 Ų66119.9 Ų119.946%0.46261%0.609SS.*Hα-helixtrans-62.6-41.3176.3-72.10000113.1V240 Q241 C247 I248V240-S244 WeakPolarHBondContact O-CB 3.43Å; V240-S244 PolarHBondContact O-N 3.1Å; V240-S244 PolarHBondContact O-OG 2.97Å; Q241-S244 PolarHBondContact O-N 3.19Å; S244-C247 PolarHBondContact O-N 3.1Å; S244-I248 WeakPolarHBondContact O-CG1 3.23Å; S244-I248 PolarHBondContact O-N 3.49Å
245K59.1Low58.7Low130 Ų130123.5 Ų123.557%0.56562%0.616SS**Hα-helixtrans-69.6-34178.4-73.5176.6178.6178.90112.9Q241 F243Q241-K245 WeakPolarHBondContact O-CB 3.26Å; Q241-K245 VanDerWaalsContact O-CG 3.31Å; Q241-K245 WeakPolarHBondContact O-CG 3.42Å; Q241-K245 PolarHBondContact O-N 3.48Å; F243-K245 PolarHBondContact O-N 2.88Å
246N56.1Low58.3Low103 Ų103128.8 Ų128.855%0.55163%0.63SS**Hα-helixtrans-75.5-28.2176.6-75.5-30.3000113.1R242 F243R242-N246 WeakPolarHBondContact O-CB 3.31Å; R242-N246 VanDerWaalsContact O-CG 3.31Å; R242-N246 PolarHBondContact O-N 2.92Å; R242-N246 PolarHBondContact O-ND2 3.43Å; R242-N246 VanDerWaalsContact O-ND2 3.1Å; F243-N246 PolarHBondContact O-N 3.36Å
247C53.1Low58Low88 Ų88130.3 Ų130.360%0.59564%0.635SS**Hα-helixtrans-72.2-28.5172.4-77.80000113.4F243 S244 L249 Y250F243-C247 PolarHBondContact O-N 3.05Å; S244-C247 PolarHBondContact O-N 3.1Å; C247-L249 VanDerWaalsContact C-N 3.31Å; C247-Y250 PolarHBondContact O-N 3.45Å
248I54Low57.9Low128 Ų128127.4 Ų127.466%0.65664%0.635SS**Hα-helixtrans-75.6-19177.7-68.2170.8000112.3S244 Y250S244-I248 WeakPolarHBondContact O-CG1 3.23Å; S244-I248 PolarHBondContact O-N 3.49Å; I248-Y250 VanDerWaalsContact C-N 3.29Å; I248-Y250 PolarHBondContact O-N 3.34Å
249L52Low57.5Low142 Ų142131.9 Ų131.974%0.74365%0.646SS**THydrogen-bonded Turntrans-841.4175-103.577.5000114.1C247C247-L249 VanDerWaalsContact C-N 3.31Å
250Y50.2Low56.9Low217 Ų217132.4 Ų132.485%0.85165%0.648SS**THydrogen-bonded Turntrans-124.733.9-177.2-113.8-85000113.1C247 I248C247-Y250 PolarHBondContact O-N 3.45Å; I248-Y250 VanDerWaalsContact C-N 3.29Å; I248-Y250 PolarHBondContact O-N 3.34Å
251I48.7Very low56.1Low217 Ų217136.4 Ų136.4100%1.11366%0.658SS**  trans-131.60161.5-56.9-178.5000106.8

Retrieved 251 of 251 residues in 137.7 ms (Link to these results)

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