A0A077ZKV6_TRITR Loading...

DSPc domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKV6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 455 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
1M96Very high95.9Very high28 Ų2874.4 Ų74.414%0.13837%0.366CS..  0-122.20-53.1-159.793.200109.1G5 F6 L8 A11 L32 Y35 E36 L39M1-G5 CarbonylContact O-C 3.21Å; M1-G5 WeakPolarHBondContact O-CA 3.48Å; M1-G5 PolarHBondContact O-N 3.44Å; M1-F6 WeakPolarHBondContact CA-O 3.48Å; M1-F6 PolarHBondContact N-O 3.08Å; M1-L8 HydrophobicContact CE-CB 4.05Å; M1-L8 HydrophobicContact CE-CD1 4.25Å; M1-L8 HydrophobicContact SD-CD1 4.14Å; M1-A11 HydrophobicContact CG-CB 3.67Å; M1-L32 HydrophobicContact SD-CD2 4.08Å; M1-Y35 HydrophobicContact CB-CE1 4.41Å; M1-Y35 HydrophobicContact CE-CD1 4.26Å; M1-Y35 HydrophobicContact SD-CD1 4.24Å; M1-E36 HydrophobicContact CE-CB 3.66Å; M1-E36 HydrophobicContact CE-CG 4.31Å; M1-L39 HydrophobicContact CB-CD1 3.99Å
2K95.6Very high95.9Very high113 Ų11370.8 Ų70.849%0.49135%0.349SS..THydrogen-bonded Turntrans-56-68.4-169.1-175.7177.4165.8-72.70114.8L39K2-L39 HydrophobicContact CB-CD1 4.39Å; K2-L39 HydrophobicContact CB-CD2 4.1Å; K2-L39 HydrophobicContact CG-CD2 4.24Å
3E95Very high95.9Very high148 Ų14872.4 Ų72.469%0.69236%0.36SS*.THydrogen-bonded Turntrans-68.8-43-169.2-45-46.9141.500113.1
4Y94.9Very high95.9Very high162 Ų16273.9 Ų73.964%0.63536%0.36SS*.THydrogen-bonded Turntrans-88.12.8-178.6-64.5-75.9000114.7F6Y4-F6 HydrophobicContact CD1-CE2 4.43Å; Y4-F6 HydrophobicContact CD1-CZ 4.39Å; Y4-F6 HydrophobicContact CD2-CE2 4.41Å; Y4-F6 HydrophobicContact CG-CD2 4.36Å; Y4-F6 AromaticContact CG-CE2 3.91Å; Y4-F6 HydrophobicContact CG-CE2 3.91Å; Y4-F6 HydrophobicContact CG-CZ 4.23Å; Y4-F6 WeakPolarHBondContact O-CD1 3.46Å; Y4-F6 PolarHBondContact O-N 3.32Å
5G94.9Very high95.9Very high34 Ų3473.1 Ų73.135%0.35136%0.361SS..  trans72.5-31-173.400000116.1M1 R43M1-G5 CarbonylContact O-C 3.21Å; M1-G5 WeakPolarHBondContact O-CA 3.48Å; M1-G5 PolarHBondContact O-N 3.44Å; G5-R43 PolarHBondContact O-NH2 3.4Å
6F96.2Very high95.9Very high54 Ų5474.1 Ų74.124%0.23736%0.363CS..  trans-44.4140.7-168.6-51.5-34.6000115.4M1 Y4 E10 A11M1-F6 WeakPolarHBondContact CA-O 3.48Å; M1-F6 PolarHBondContact N-O 3.08Å; Y4-F6 HydrophobicContact CD1-CE2 4.43Å; Y4-F6 HydrophobicContact CD1-CZ 4.39Å; Y4-F6 HydrophobicContact CD2-CE2 4.41Å; Y4-F6 HydrophobicContact CG-CD2 4.36Å; Y4-F6 AromaticContact CG-CE2 3.91Å; Y4-F6 HydrophobicContact CG-CE2 3.91Å; Y4-F6 HydrophobicContact CG-CZ 4.23Å; Y4-F6 WeakPolarHBondContact O-CD1 3.46Å; Y4-F6 PolarHBondContact O-N 3.32Å; F6-E10 HydrophobicContact CB-CB 4.13Å; F6-E10 HydrophobicContact CB-CG 4.02Å; F6-E10 WeakPolarHBondContact CB-OE2 3.29Å; F6-E10 HydrophobicContact CD1-CG 4.12Å; F6-E10 WeakPolarHBondContact CD1-OE2 3.4Å; F6-E10 HydrophobicContact CD2-CG 4.33Å; F6-E10 HydrophobicContact CG-CG 3.94Å; F6-A11 HydrophobicContact CB-CB 4.27Å
7P95.8Very high95.9Very high59 Ų5977.8 Ų77.838%0.38338%0.379SS..  trans-62.1173.7164.630.1-36.3000112E10 A11 E36P7-E10 WeakPolarHBondContact CD-OE2 3.41Å; P7-E10 HydrophobicContact CG-CB 4Å; P7-A11 VanDerWaalsContact O-CB 3.23Å; P7-A11 WeakPolarHBondContact O-CB 3.35Å; P7-A11 PolarHBondContact O-N 3.25Å; P7-E36 WeakPolarHBondContact CA-OE1 3.48Å; P7-E36 WeakPolarHBondContact CB-OE1 3.35Å
8L96.7Very high95.9Very high3 Ų380.1 Ų80.12%0.01639%0.387CS..Hα-helixtrans-60.1-46.6-177.2176.553000112.5M1 A11 L12 M29 L32 K33 E36M1-L8 HydrophobicContact CE-CB 4.05Å; M1-L8 HydrophobicContact CE-CD1 4.25Å; M1-L8 HydrophobicContact SD-CD1 4.14Å; L8-A11 PolarHBondContact O-N 3.38Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.22Å; L8-M29 HydrophobicContact CD1-CE 4.14Å; L8-M29 HydrophobicContact CD2-CE 4.03Å; L8-M29 HydrophobicContact CG-CE 4.18Å; L8-L32 HydrophobicContact CD1-CB 3.6Å; L8-L32 HydrophobicContact CD1-CD1 3.79Å; L8-L32 HydrophobicContact CD1-CG 4.28Å; L8-L32 HydrophobicContact CD2-CB 4.16Å; L8-K33 HydrophobicContact CD2-CB 4.38Å; L8-K33 HydrophobicContact CD2-CD 4.39Å; L8-K33 HydrophobicContact CD2-CG 3.36Å; L8-E36 WeakPolarHBondContact CB-OE2 3.42Å; L8-E36 PolarHBondContact N-OE1 3.15Å
9E96Very high95.8Very high104 Ų10484.9 Ų84.949%0.48640%0.4SS..Hα-helixtrans-63.6-46-177.1-71.764.7-14600111.6L12 N13E9-L12 PolarHBondContact O-N 2.87Å; E9-N13 WeakPolarHBondContact O-CB 3.4Å; E9-N13 PolarHBondContact O-N 3.14Å; E9-N13 PolarHBondContact O-ND2 3.11Å
10E96.8Very high95.6Very high95 Ų9588.4 Ų88.444%0.44442%0.422SS..Hα-helixtrans-66.1-44.6176.5-179.5177.1-152.700111.3F6 P7 L12 N13 Y14F6-E10 HydrophobicContact CB-CB 4.13Å; F6-E10 HydrophobicContact CB-CG 4.02Å; F6-E10 WeakPolarHBondContact CB-OE2 3.29Å; F6-E10 HydrophobicContact CD1-CG 4.12Å; F6-E10 WeakPolarHBondContact CD1-OE2 3.4Å; F6-E10 HydrophobicContact CD2-CG 4.33Å; F6-E10 HydrophobicContact CG-CG 3.94Å; P7-E10 WeakPolarHBondContact CD-OE2 3.41Å; P7-E10 HydrophobicContact CG-CB 4Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.34Å; E10-N13 PolarHBondContact O-N 2.79Å; E10-Y14 WeakPolarHBondContact O-CB 3.22Å; E10-Y14 PolarHBondContact O-N 3.36Å
11A96.8Very high95.5Very high18 Ų1888.8 Ų88.815%0.14943%0.433CS..Hα-helixtrans-62.1-38.6176.600000112.5M1 F6 P7 L8 V15M1-A11 HydrophobicContact CG-CB 3.67Å; F6-A11 HydrophobicContact CB-CB 4.27Å; P7-A11 VanDerWaalsContact O-CB 3.23Å; P7-A11 WeakPolarHBondContact O-CB 3.35Å; P7-A11 PolarHBondContact O-N 3.25Å; L8-A11 PolarHBondContact O-N 3.38Å; A11-V15 WeakPolarHBondContact O-CG2 3.3Å; A11-V15 PolarHBondContact O-N 3.08Å; A11-V15 VanDerWaalsContact O-N 3.16Å
12L95.8Very high95.3Very high32 Ų3289.7 Ų89.717%0.16844%0.438CS..Hα-helixtrans-67.3-42.8175.6-177.668.7000111.2L8 E9 E10 V15 K16 I22 P24 M29L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.22Å; E9-L12 PolarHBondContact O-N 2.87Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.34Å; L12-V15 PolarHBondContact O-N 2.93Å; L12-K16 WeakPolarHBondContact O-CG 3.49Å; L12-K16 PolarHBondContact O-N 3.24Å; L12-I22 HydrophobicContact CD1-CD1 3.69Å; L12-P24 HydrophobicContact CD1-CG 4.1Å; L12-M29 HydrophobicContact CD1-SD 4.38Å; L12-M29 HydrophobicContact CD2-CE 3.94Å; L12-M29 HydrophobicContact CD2-SD 4.32Å
13N96Very high95.2Very high91 Ų9190.7 Ų90.749%0.48745%0.454SS..Hα-helixtrans-66.3-41.6178.6-71.2-17.6000111.9E9 E10 V15 K16 E17E9-N13 WeakPolarHBondContact O-CB 3.4Å; E9-N13 PolarHBondContact O-N 3.14Å; E9-N13 PolarHBondContact O-ND2 3.11Å; E10-N13 PolarHBondContact O-N 2.79Å; N13-V15 VanDerWaalsContact C-N 3.32Å; N13-V15 PolarHBondContact O-N 3.45Å; N13-K16 WeakPolarHBondContact O-CB 3.49Å; N13-K16 PolarHBondContact O-N 3.33Å; N13-E17 PolarHBondContact O-N 2.85Å
14Y96.4Very high95.1Very high93 Ų9386 Ų8637%0.36544%0.436SS..Hα-helixtrans-57.9-42.6172.5-179.2-103000112E10 E17 K18E10-Y14 WeakPolarHBondContact O-CB 3.22Å; E10-Y14 PolarHBondContact O-N 3.36Å; Y14-E17 PolarHBondContact O-N 2.95Å; Y14-K18 HydrophobicContact CE1-CG 4.49Å; Y14-K18 VanDerWaalsContact CE2-CE 3.48Å; Y14-K18 WeakPolarHBondContact O-CG 3.37Å; Y14-K18 PolarHBondContact O-N 3.12Å
15V96Very high95.2Very high62 Ų6284 Ų8438%0.37644%0.436SS..Hα-helixtrans-69.6-37.7176.2178.70000111.9A11 L12 N13 E17 K18 R19 I22A11-V15 WeakPolarHBondContact O-CG2 3.3Å; A11-V15 PolarHBondContact O-N 3.08Å; A11-V15 VanDerWaalsContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 2.93Å; N13-V15 VanDerWaalsContact C-N 3.32Å; N13-V15 PolarHBondContact O-N 3.45Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 3.43Å; V15-K18 PolarHBondContact O-N 2.89Å; V15-R19 WeakPolarHBondContact O-CA 3.44Å; V15-R19 PolarHBondContact O-N 3.35Å; V15-I22 HydrophobicContact CB-CD1 3.98Å; V15-I22 HydrophobicContact CG1-CD1 3.61Å; V15-I22 HydrophobicContact CG1-CG1 4.06Å; V15-I22 HydrophobicContact CG1-CG2 4.06Å
16K95.5Very high95.3Very high90 Ų9091.4 Ų91.439%0.39145%0.453SS..Hα-helixtrans-61-40.5173.2-74.8173.1-178.4168.70112.3L12 N13 R19 N20 I22L12-K16 WeakPolarHBondContact O-CG 3.49Å; L12-K16 PolarHBondContact O-N 3.24Å; N13-K16 WeakPolarHBondContact O-CB 3.49Å; N13-K16 PolarHBondContact O-N 3.33Å; K16-R19 CarbonylContact O-C 3.13Å; K16-R19 PolarHBondContact O-N 3.28Å; K16-N20 VanDerWaalsContact O-CA 3.29Å; K16-N20 WeakPolarHBondContact O-CA 3.48Å; K16-N20 PolarHBondContact O-N 3.13Å; K16-I22 HydrophobicContact CG-CD1 3.79Å; K16-I22 HydrophobicContact CG-CG1 3.83Å
17E95.9Very high95.3Very high136 Ų13690.2 Ų90.264%0.63646%0.457SS*.Hα-helixtrans-62.2-45.1177.8-166.6-144121.800111.3N13 Y14 V15N13-E17 PolarHBondContact O-N 2.85Å; Y14-E17 PolarHBondContact O-N 2.95Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 3.43Å
18K95.5Very high95.4Very high119 Ų11992.6 Ų92.652%0.51746%0.461SS..Hα-helixtrans-78-22.5177.6-52.5-46.7177.5-165.50113.6Y14 V15Y14-K18 HydrophobicContact CE1-CG 4.49Å; Y14-K18 VanDerWaalsContact CE2-CE 3.48Å; Y14-K18 WeakPolarHBondContact O-CG 3.37Å; Y14-K18 PolarHBondContact O-N 3.12Å; V15-K18 PolarHBondContact O-N 2.89Å
19R95Very high95.4Very high172 Ų17294.3 Ų94.365%0.64947%0.47SS*.  trans-149.187.5-177.6-64.1-175.6-176.3158.82110.7V15 K16 C21 I22V15-R19 WeakPolarHBondContact O-CA 3.44Å; V15-R19 PolarHBondContact O-N 3.35Å; K16-R19 CarbonylContact O-C 3.13Å; K16-R19 PolarHBondContact O-N 3.28Å; R19-C21 PolarHBondContact O-N 3.16Å; R19-I22 HydrophobicContact CB-CG2 4.03Å; R19-I22 WeakPolarHBondContact O-CG1 3.47Å; R19-I22 PolarHBondContact O-N 3.38Å
20N91.5Very high95.5Very high155 Ų15593.5 Ų93.583%0.82947%0.466SS*.THydrogen-bonded Turntrans-59-16.8-178.963.8-7.7000115K16K16-N20 VanDerWaalsContact O-CA 3.29Å; K16-N20 WeakPolarHBondContact O-CA 3.48Å; K16-N20 PolarHBondContact O-N 3.13Å
21C92.8Very high95.5Very high96 Ų9694.1 Ų94.165%0.64947%0.469SS*.THydrogen-bonded Turntrans-83.32.5-179.260.80000115.8R19 T23R19-C21 PolarHBondContact O-N 3.16Å; C21-T23 PolarHBondContact O-N 3.37Å
22I91.8Very high95.6Very high47 Ų4795 Ų9524%0.24147%0.471CS..  trans-78.4111.9-174.760.3133.8000114.2L12 V15 K16 R19 P24L12-I22 HydrophobicContact CD1-CD1 3.69Å; V15-I22 HydrophobicContact CB-CD1 3.98Å; V15-I22 HydrophobicContact CG1-CD1 3.61Å; V15-I22 HydrophobicContact CG1-CG1 4.06Å; V15-I22 HydrophobicContact CG1-CG2 4.06Å; K16-I22 HydrophobicContact CG-CD1 3.79Å; K16-I22 HydrophobicContact CG-CG1 3.83Å; R19-I22 HydrophobicContact CB-CG2 4.03Å; R19-I22 WeakPolarHBondContact O-CG1 3.47Å; R19-I22 PolarHBondContact O-N 3.38Å; I22-P24 WeakPolarHBondContact O-CD 3.49Å
23T93.6Very high95.7Very high135 Ų13599 Ų9983%0.82849%0.487SS*.  trans-116.778.9177.444.50000111.2C21 N25C21-T23 PolarHBondContact O-N 3.37Å; T23-N25 PolarHBondContact O-N 3.44Å
24P93.7Very high95.7Very high49 Ų4999.5 Ų99.532%0.31849%0.488SS..  trans-66134-178.327.7-35000112L12 I22 F28 M29L12-P24 HydrophobicContact CD1-CG 4.1Å; I22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-F28 HydrophobicContact CB-CD1 3.97Å; P24-M29 HydrophobicContact CB-CG 4.1Å; P24-M29 HydrophobicContact CB-SD 3.92Å; P24-M29 HydrophobicContact CG-CG 4.03Å; P24-M29 HydrophobicContact CG-SD 3.59Å; P24-M29 VanDerWaalsContact CG-SD 3.59Å
25N96.1Very high95.8Very high120 Ų12098.7 Ų98.764%0.64249%0.485SS*.  trans-58.8141.3170.5-179.3-23000110.1T23 G27 F28 M29T23-N25 PolarHBondContact O-N 3.44Å; N25-G27 PolarHBondContact O-N 3.12Å; N25-G27 VanDerWaalsContact O-N 3.15Å; N25-G27 PolarHBondContact OD1-N 2.9Å; N25-F28 WeakPolarHBondContact O-CA 3.33Å; N25-F28 WeakPolarHBondContact O-CB 3.44Å; N25-F28 PolarHBondContact O-N 3.4Å; N25-M29 PolarHBondContact O-N 3.33Å
26R96.9Very high95.8Very high189 Ų18997.5 Ų97.571%0.71348%0.476SS*.Hα-helixtrans-44.4-44.9172.5177.7-178.8163.7175.8-3.6112.8F28 M29 E30R26-F28 VanDerWaalsContact C-N 3.27Å; R26-F28 PolarHBondContact O-N 3.15Å; R26-M29 WeakPolarHBondContact O-CB 3.41Å; R26-M29 PolarHBondContact O-N 3.39Å; R26-M29 VanDerWaalsContact O-N 3.13Å; R26-E30 IonicContact CZ-OE1 2.74Å; R26-E30 IonicContact NE-OE1 2.95Å; R26-E30 PolarHBondContact NE-OE1 3.46Å; R26-E30 IonicContact NH2-OE1 3.73Å; R26-E30 PolarHBondContact NH2-OE1 2.87Å; R26-E30 WeakPolarHBondContact O-CG 3.11Å; R26-E30 PolarHBondContact O-N 3.26Å
27G97.5Very high95.8Very high30 Ų3095.2 Ų95.231%0.30948%0.477SS..Hα-helixtrans-64.2-29.3179.300000113.8N25 Q31N25-G27 PolarHBondContact O-N 3.12Å; N25-G27 VanDerWaalsContact O-N 3.15Å; N25-G27 PolarHBondContact OD1-N 2.9Å; G27-Q31 VanDerWaalsContact O-CG 3.31Å; G27-Q31 WeakPolarHBondContact O-CG 3.1Å; G27-Q31 PolarHBondContact O-N 3.31Å; G27-Q31 VanDerWaalsContact O-N 3.12Å
28F97.3Very high95.8Very high108 Ų10892.3 Ų92.347%0.47447%0.465SS..Hα-helixtrans-76.2-38172.7-173.5-112.3000111.4P24 N25 R26 E30 Q31 L32P24-F28 HydrophobicContact CB-CD1 3.97Å; N25-F28 WeakPolarHBondContact O-CA 3.33Å; N25-F28 WeakPolarHBondContact O-CB 3.44Å; N25-F28 PolarHBondContact O-N 3.4Å; R26-F28 VanDerWaalsContact C-N 3.27Å; R26-F28 PolarHBondContact O-N 3.15Å; F28-E30 VanDerWaalsContact C-N 3.31Å; F28-E30 PolarHBondContact O-N 3.42Å; F28-Q31 WeakPolarHBondContact O-CB 3.44Å; F28-Q31 PolarHBondContact O-N 3.19Å; F28-L32 HydrophobicContact CD1-CD1 3.96Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.71Å; F28-L32 HydrophobicContact CE1-CD2 4.49Å; F28-L32 HydrophobicContact CE1-CG 4.19Å; F28-L32 HydrophobicContact CZ-CD1 4.32Å; F28-L32 HydrophobicContact CZ-CD2 4.29Å; F28-L32 HydrophobicContact CZ-CG 4.37Å; F28-L32 WeakPolarHBondContact O-CG 3.33Å; F28-L32 PolarHBondContact O-N 2.7Å
29M97Very high95.8Very high40 Ų4087.8 Ų87.820%0.19745%0.447CS..Hα-helixtrans-61.4-38.1171.4-69.6-57.9-5800112.4L8 L12 P24 N25 R26 L32 K33L8-M29 HydrophobicContact CD1-CE 4.14Å; L8-M29 HydrophobicContact CD2-CE 4.03Å; L8-M29 HydrophobicContact CG-CE 4.18Å; L12-M29 HydrophobicContact CD1-SD 4.38Å; L12-M29 HydrophobicContact CD2-CE 3.94Å; L12-M29 HydrophobicContact CD2-SD 4.32Å; P24-M29 HydrophobicContact CB-CG 4.1Å; P24-M29 HydrophobicContact CB-SD 3.92Å; P24-M29 HydrophobicContact CG-CG 4.03Å; P24-M29 HydrophobicContact CG-SD 3.59Å; P24-M29 VanDerWaalsContact CG-SD 3.59Å; N25-M29 PolarHBondContact O-N 3.33Å; R26-M29 WeakPolarHBondContact O-CB 3.41Å; R26-M29 PolarHBondContact O-N 3.39Å; R26-M29 VanDerWaalsContact O-N 3.13Å; M29-L32 PolarHBondContact O-N 3.04Å; M29-L32 HydrophobicContact SD-CD1 4.25Å; M29-K33 WeakPolarHBondContact O-CG 3.4Å; M29-K33 PolarHBondContact O-N 3.4Å
30E97.5Very high95.8Very high87 Ų8783 Ų8341%0.40743%0.434SS..Hα-helixtrans-66.9-40.5174.3-72.3171172.700111.8R26 F28 L32 K33 I34R26-E30 IonicContact CZ-OE1 2.74Å; R26-E30 IonicContact NE-OE1 2.95Å; R26-E30 PolarHBondContact NE-OE1 3.46Å; R26-E30 IonicContact NH2-OE1 3.73Å; R26-E30 PolarHBondContact NH2-OE1 2.87Å; R26-E30 WeakPolarHBondContact O-CG 3.11Å; R26-E30 PolarHBondContact O-N 3.26Å; F28-E30 VanDerWaalsContact C-N 3.31Å; F28-E30 PolarHBondContact O-N 3.42Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.11Å; E30-K33 PolarHBondContact O-N 2.9Å; E30-I34 WeakPolarHBondContact O-CG1 3.36Å; E30-I34 PolarHBondContact O-N 2.9Å; E30-I34 VanDerWaalsContact O-N 3.07Å
31Q97.8Very high95.8Very high108 Ų10877.8 Ų77.851%0.50541%0.412SS..Hα-helixtrans-61.2-39.8171.6-73.8170.3-100112.6G27 F28 I34 Y35G27-Q31 VanDerWaalsContact O-CG 3.31Å; G27-Q31 WeakPolarHBondContact O-CG 3.1Å; G27-Q31 PolarHBondContact O-N 3.31Å; G27-Q31 VanDerWaalsContact O-N 3.12Å; F28-Q31 WeakPolarHBondContact O-CB 3.44Å; F28-Q31 PolarHBondContact O-N 3.19Å; Q31-I34 PolarHBondContact O-N 3.01Å; Q31-Y35 WeakPolarHBondContact O-CB 3.36Å; Q31-Y35 PolarHBondContact O-N 2.76Å
32L97.7Very high95.7Very high36 Ų3676.3 Ų76.319%0.18840%0.403CS..Hα-helixtrans-67-38.7176.8-69.5174.8000112.3M1 L8 F28 M29 E30 I34 Y35 E36M1-L32 HydrophobicContact SD-CD2 4.08Å; L8-L32 HydrophobicContact CD1-CB 3.6Å; L8-L32 HydrophobicContact CD1-CD1 3.79Å; L8-L32 HydrophobicContact CD1-CG 4.28Å; L8-L32 HydrophobicContact CD2-CB 4.16Å; F28-L32 HydrophobicContact CD1-CD1 3.96Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.71Å; F28-L32 HydrophobicContact CE1-CD2 4.49Å; F28-L32 HydrophobicContact CE1-CG 4.19Å; F28-L32 HydrophobicContact CZ-CD1 4.32Å; F28-L32 HydrophobicContact CZ-CD2 4.29Å; F28-L32 HydrophobicContact CZ-CG 4.37Å; F28-L32 WeakPolarHBondContact O-CG 3.33Å; F28-L32 PolarHBondContact O-N 2.7Å; M29-L32 PolarHBondContact O-N 3.04Å; M29-L32 HydrophobicContact SD-CD1 4.25Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.11Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 3Å; L32-Y35 WeakPolarHBondContact O-CB 3.46Å; L32-Y35 PolarHBondContact O-N 3.28Å; L32-Y35 VanDerWaalsContact O-N 3.15Å; L32-E36 PolarHBondContact O-N 3.27Å
33K97.3Very high95.5Very high117 Ų11779.3 Ų79.351%0.50941%0.411SS..Hα-helixtrans-62.6-38.6172.5-72.7-175.6175.9-165.90112.6L8 M29 E30 Y35 E36 G37L8-K33 HydrophobicContact CD2-CB 4.38Å; L8-K33 HydrophobicContact CD2-CD 4.39Å; L8-K33 HydrophobicContact CD2-CG 3.36Å; M29-K33 WeakPolarHBondContact O-CG 3.4Å; M29-K33 PolarHBondContact O-N 3.4Å; E30-K33 PolarHBondContact O-N 2.9Å; K33-Y35 VanDerWaalsContact C-N 3.34Å; K33-E36 PolarHBondContact O-N 3.14Å; K33-G37 PolarHBondContact O-N 3.15Å
34I97.4Very high94.9Very high100 Ų10077.3 Ų77.351%0.51340%0.396SS..Hα-helixtrans-64.9-40.8173-67164.3000110.4E30 Q31 L32 G37 I38E30-I34 WeakPolarHBondContact O-CG1 3.36Å; E30-I34 PolarHBondContact O-N 2.9Å; E30-I34 VanDerWaalsContact O-N 3.07Å; Q31-I34 PolarHBondContact O-N 3.01Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 3Å; I34-G37 PolarHBondContact O-N 3.09Å; I34-I38 HydrophobicContact CG2-CD1 3.99Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.01Å; I34-I38 VanDerWaalsContact O-N 3.11Å
35Y97.8Very high94Very high77 Ų7780.6 Ų80.630%0.30240%0.402SS..Hα-helixtrans-65.6-38178.2-174-114.8000112.9M1 Q31 L32 K33 I38 L39M1-Y35 HydrophobicContact CB-CE1 4.41Å; M1-Y35 HydrophobicContact CE-CD1 4.26Å; M1-Y35 HydrophobicContact SD-CD1 4.24Å; Q31-Y35 WeakPolarHBondContact O-CB 3.36Å; Q31-Y35 PolarHBondContact O-N 2.76Å; L32-Y35 WeakPolarHBondContact O-CB 3.46Å; L32-Y35 PolarHBondContact O-N 3.28Å; L32-Y35 VanDerWaalsContact O-N 3.15Å; K33-Y35 VanDerWaalsContact C-N 3.34Å; Y35-I38 WeakPolarHBondContact O-CB 3.44Å; Y35-I38 PolarHBondContact O-N 3.28Å; Y35-L39 HydrophobicContact CD1-CD1 4.06Å; Y35-L39 HydrophobicContact CD1-CG 4.41Å; Y35-L39 HydrophobicContact CE1-CD1 3.72Å; Y35-L39 HydrophobicContact CE1-CD2 4.37Å; Y35-L39 HydrophobicContact CE1-CG 4.11Å; Y35-L39 WeakPolarHBondContact O-CG 3.36Å; Y35-L39 PolarHBondContact O-N 3.08Å
36E96.6Very high92.7Very high37 Ų3780 Ų8017%0.17340%0.403CS..Hα-helixtrans-57.6-52.8172.5-174.8160.5-125.100112.1M1 P7 L8 L32 K33 I38 L39 D40M1-E36 HydrophobicContact CE-CB 3.66Å; M1-E36 HydrophobicContact CE-CG 4.31Å; P7-E36 WeakPolarHBondContact CA-OE1 3.48Å; P7-E36 WeakPolarHBondContact CB-OE1 3.35Å; L8-E36 WeakPolarHBondContact CB-OE2 3.42Å; L8-E36 PolarHBondContact N-OE1 3.15Å; L32-E36 PolarHBondContact O-N 3.27Å; K33-E36 PolarHBondContact O-N 3.14Å; E36-I38 PolarHBondContact O-N 2.84Å; E36-L39 WeakPolarHBondContact O-CA 3.24Å; E36-L39 WeakPolarHBondContact O-CB 3.19Å; E36-L39 PolarHBondContact O-N 3.22Å; E36-D40 PolarHBondContact O-N 3.31Å
37G96Very high91Very high41 Ų4173.2 Ų73.242%0.42338%0.384SS..Hα-helixtrans-60.5-28.7175.700000113.8K33 I34 A41K33-G37 PolarHBondContact O-N 3.15Å; I34-G37 PolarHBondContact O-N 3.09Å; G37-A41 WeakPolarHBondContact O-CB 3.47Å; G37-A41 PolarHBondContact O-N 3.31Å
38I95.4Very high89.4Confident76 Ų7678 Ų7839%0.3940%0.401SS..Hα-helixtrans-71.2-40.5171.8-69.3165.8000111.2I34 Y35 E36 S42I34-I38 HydrophobicContact CG2-CD1 3.99Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.01Å; I34-I38 VanDerWaalsContact O-N 3.11Å; Y35-I38 WeakPolarHBondContact O-CB 3.44Å; Y35-I38 PolarHBondContact O-N 3.28Å; E36-I38 PolarHBondContact O-N 2.84Å; I38-S42 VanDerWaalsContact O-CB 3.32Å; I38-S42 WeakPolarHBondContact O-CB 3.42Å; I38-S42 PolarHBondContact O-N 3.49Å
39L95.6Very high87.7Confident23 Ų2379.3 Ų79.312%0.1241%0.412CS..Hα-helixtrans-64-44.8174.8-69.5176.1000111.3M1 K2 Y35 E36 S42 R43M1-L39 HydrophobicContact CB-CD1 3.99Å; K2-L39 HydrophobicContact CB-CD1 4.39Å; K2-L39 HydrophobicContact CB-CD2 4.1Å; K2-L39 HydrophobicContact CG-CD2 4.24Å; Y35-L39 HydrophobicContact CD1-CD1 4.06Å; Y35-L39 HydrophobicContact CD1-CG 4.41Å; Y35-L39 HydrophobicContact CE1-CD1 3.72Å; Y35-L39 HydrophobicContact CE1-CD2 4.37Å; Y35-L39 HydrophobicContact CE1-CG 4.11Å; Y35-L39 WeakPolarHBondContact O-CG 3.36Å; Y35-L39 PolarHBondContact O-N 3.08Å; E36-L39 WeakPolarHBondContact O-CA 3.24Å; E36-L39 WeakPolarHBondContact O-CB 3.19Å; E36-L39 PolarHBondContact O-N 3.22Å; L39-S42 CarbonylContact O-C 3.52Å; L39-S42 WeakPolarHBondContact O-CA 3.46Å; L39-S42 WeakPolarHBondContact O-CB 3.43Å; L39-S42 PolarHBondContact O-N 3.19Å; L39-R43 VanDerWaalsContact O-CG 3.3Å; L39-R43 WeakPolarHBondContact O-CG 3.44Å; L39-R43 PolarHBondContact O-N 3.13Å
40D93.7Very high86Confident73 Ų7384.3 Ų84.339%0.3943%0.429SS..Hα-helixtrans-68.7-39.3179.1-70.3-28000112.8E36 S42 R43 N44E36-D40 PolarHBondContact O-N 3.31Å; D40-S42 PolarHBondContact O-N 2.99Å; D40-R43 PolarHBondContact O-N 3.03Å; D40-R43 WeakPolarHBondContact OD1-CD 3.42Å; D40-R43 IonicContact OD1-CZ 3.92Å; D40-R43 IonicContact OD1-NE 2.79Å; D40-R43 IonicContact OD1-NH1 3.21Å; D40-R43 PolarHBondContact OD1-NH1 3.4Å; D40-N44 WeakPolarHBondContact O-CB 3.48Å; D40-N44 PolarHBondContact O-N 2.86Å
41A92.8Very high83.9Confident44 Ų4484.1 Ų84.136%0.36443%0.431SS..Hα-helixtrans-60.9-35168.200000111.8G37 R45G37-A41 WeakPolarHBondContact O-CB 3.47Å; G37-A41 PolarHBondContact O-N 3.31Å; A41-R45 VanDerWaalsContact O-CG 3.24Å; A41-R45 WeakPolarHBondContact O-CG 3.21Å; A41-R45 PolarHBondContact O-N 3.34Å
42S89.8Confident82Confident65 Ų6581.7 Ų81.746%0.45543%0.426SS..Hα-helixtrans-73.5-34.6176.9-162.10000113.1I38 L39 D40I38-S42 VanDerWaalsContact O-CB 3.32Å; I38-S42 WeakPolarHBondContact O-CB 3.42Å; I38-S42 PolarHBondContact O-N 3.49Å; L39-S42 CarbonylContact O-C 3.52Å; L39-S42 WeakPolarHBondContact O-CA 3.46Å; L39-S42 WeakPolarHBondContact O-CB 3.43Å; L39-S42 PolarHBondContact O-N 3.19Å; D40-S42 PolarHBondContact O-N 2.99Å
43R87.1Confident80Confident111 Ų11185.1 Ų85.142%0.41944%0.443SS..Hα-helixtrans-65.9-46.3172.5-69.7159.8179.1169-6.2110.7G5 L39 D40 R45 T46G5-R43 PolarHBondContact O-NH2 3.4Å; L39-R43 VanDerWaalsContact O-CG 3.3Å; L39-R43 WeakPolarHBondContact O-CG 3.44Å; L39-R43 PolarHBondContact O-N 3.13Å; D40-R43 PolarHBondContact O-N 3.03Å; D40-R43 WeakPolarHBondContact OD1-CD 3.42Å; D40-R43 IonicContact OD1-CZ 3.92Å; D40-R43 IonicContact OD1-NE 2.79Å; D40-R43 IonicContact OD1-NH1 3.21Å; D40-R43 PolarHBondContact OD1-NH1 3.4Å; R43-R45 PolarHBondContact O-N 2.99Å; R43-T46 PolarHBondContact O-N 2.9Å; R43-T46 PolarHBondContact O-OG1 3.19Å
44N82.6Confident77.9Confident93 Ų9382.9 Ų82.950%0.49744%0.443SS..Hα-helixtrans-74.1-11.2-178.2-157.3-3.7000113.3D40 T46 S47D40-N44 WeakPolarHBondContact O-CB 3.48Å; D40-N44 PolarHBondContact O-N 2.86Å; N44-T46 PolarHBondContact O-N 3.43Å; N44-S47 WeakPolarHBondContact O-CB 3.41Å; N44-S47 PolarHBondContact O-N 3.2Å; N44-S47 WeakPolarHBondContact OD1-CB 3.37Å
45R74.8Confident75.9Confident118 Ų11881.5 Ų81.545%0.44544%0.442SS..THydrogen-bonded Turntrans-68.1-16.6173.9-85.2167.8-160.7176.42.4114.4A41 R43 W50A41-R45 VanDerWaalsContact O-CG 3.24Å; A41-R45 WeakPolarHBondContact O-CG 3.21Å; A41-R45 PolarHBondContact O-N 3.34Å; R43-R45 PolarHBondContact O-N 2.99Å; R45-W50 WeakPolarHBondContact O-CB 3.42Å
46T67.2Low73.9Confident108 Ų10883.8 Ų83.866%0.66346%0.455SS*.THydrogen-bonded Turntrans-88-8.1170.358.60000112.8R43 N44 N51R43-T46 PolarHBondContact O-N 2.9Å; R43-T46 PolarHBondContact O-OG1 3.19Å; N44-T46 PolarHBondContact O-N 3.43Å; T46-N51 PolarHBondContact O-ND2 3.05Å
47S63Low72.1Confident45 Ų4589.9 Ų89.932%0.31548%0.481SS..SBendtrans-61.6145.7174.2-174.90000110.9N44 L49 W50N44-S47 WeakPolarHBondContact O-CB 3.41Å; N44-S47 PolarHBondContact O-N 3.2Å; N44-S47 WeakPolarHBondContact OD1-CB 3.37Å; S47-L49 PolarHBondContact O-N 3.02Å; S47-W50 PolarHBondContact O-N 3.28Å
48I62.1Low70.1Confident130 Ų13090.7 Ų90.767%0.66748%0.484SS*.Hα-helixtrans-51.1-36.2-171.3-64.2171.4000111.5W50 N51 S52I48-W50 PolarHBondContact O-N 2.83Å; I48-W50 VanDerWaalsContact O-N 3.09Å; I48-N51 CarbonylContact O-C 3.57Å; I48-N51 PolarHBondContact O-N 3.09Å; I48-S52 WeakPolarHBondContact CG2-OG 3.3Å; I48-S52 WeakPolarHBondContact O-CB 3.2Å; I48-S52 PolarHBondContact O-N 3.05Å; I48-S52 PolarHBondContact O-OG 2.96Å
49L63.2Low68.4Low136 Ų13693.5 Ų93.571%0.71250%0.499SS*.Hα-helixtrans-55.5-28.5179-61177.3000115S47S47-L49 PolarHBondContact O-N 3.02Å
50W59.7Low66.7Low145 Ų145102.1 Ų102.155%0.54953%0.531SS..Hα-helixtrans-90.3-33.5174.8-64.694.4000112.2R45 S47 I48R45-W50 WeakPolarHBondContact O-CB 3.42Å; S47-W50 PolarHBondContact O-N 3.28Å; I48-W50 PolarHBondContact O-N 2.83Å; I48-W50 VanDerWaalsContact O-N 3.09Å
51N55.5Low64.7Low84 Ų84105.1 Ų105.145%0.44955%0.548SS..Hα-helixtrans-77.2-29.3179.2-74.7-30.5000113.4T46 I48 L53 S54 S55T46-N51 PolarHBondContact O-ND2 3.05Å; I48-N51 CarbonylContact O-C 3.57Å; I48-N51 PolarHBondContact O-N 3.09Å; N51-L53 VanDerWaalsContact C-N 3.27Å; N51-L53 PolarHBondContact O-N 3.34Å; N51-S54 WeakPolarHBondContact O-CB 3.39Å; N51-S54 PolarHBondContact O-N 3.41Å; N51-S55 PolarHBondContact O-N 3.02Å
52S55.8Low62.8Low57 Ų57110.3 Ų110.340%0.39956%0.564SS.*Hα-helixtrans-56.1-42.5172.5-64.30000111.4I48 S54 S55 E56I48-S52 WeakPolarHBondContact CG2-OG 3.3Å; I48-S52 WeakPolarHBondContact O-CB 3.2Å; I48-S52 PolarHBondContact O-N 3.05Å; I48-S52 PolarHBondContact O-OG 2.96Å; S52-S54 PolarHBondContact O-N 2.96Å; S52-S55 PolarHBondContact O-N 3.03Å; S52-E56 WeakPolarHBondContact O-CB 3.46Å; S52-E56 PolarHBondContact O-N 3.36Å
53L56.9Low60.3Low107 Ų107110.8 Ų110.856%0.5658%0.579SS**Hα-helixtrans-66.6-21.2177.9-68.9163.7000113.3N51N51-L53 VanDerWaalsContact C-N 3.27Å; N51-L53 PolarHBondContact O-N 3.34Å
54S53.7Low58.3Low71 Ų71112.5 Ų112.550%0.49760%0.595SS.*Hα-helixtrans-87-41.4173.5-59.80000111.4N51 S52 K57 A58N51-S54 WeakPolarHBondContact O-CB 3.39Å; N51-S54 PolarHBondContact O-N 3.41Å; S52-S54 PolarHBondContact O-N 2.96Å; S54-K57 PolarHBondContact O-N 2.91Å; S54-A58 PolarHBondContact O-N 2.62Å
55S54Low56.4Low70 Ų70115 Ų11549%0.4961%0.613SS.*Hα-helixtrans-67.6-44.4178.1176.80000112.4N51 S52 K57 A58 L59N51-S55 PolarHBondContact O-N 3.02Å; S52-S55 PolarHBondContact O-N 3.03Å; S55-K57 PolarHBondContact O-N 3.07Å; S55-A58 PolarHBondContact O-N 3.33Å; S55-L59 PolarHBondContact O-N 2.99Å; S55-L59 VanDerWaalsContact O-N 3.15Å
56E56.9Low54.9Low125 Ų125115.9 Ų115.958%0.58462%0.623SS**Hα-helixtrans-59.4-34.8173.9-175.9173.9-146.300111.3S52 Y60S52-E56 WeakPolarHBondContact O-CB 3.46Å; S52-E56 PolarHBondContact O-N 3.36Å; E56-Y60 WeakPolarHBondContact O-CD2 3.44Å
57K57.7Low53.5Low165 Ų165119.6 Ų119.672%0.71763%0.632SS**Hα-helixtrans-77.9-34177.4-158.5179.6-177.6-165.60113.3S54 S55 L59 Y60S54-K57 PolarHBondContact O-N 2.91Å; S55-K57 PolarHBondContact O-N 3.07Å; K57-L59 VanDerWaalsContact C-N 3.31Å; K57-L59 PolarHBondContact O-N 3.33Å; K57-Y60 PolarHBondContact O-N 3.02Å
58A55.2Low52.6Low59 Ų59124.4 Ų124.449%0.48865%0.65SS.*Hα-helixtrans-64.5-35.3174.800000112.2S54 S55 Y60 D61S54-A58 PolarHBondContact O-N 2.62Å; S55-A58 PolarHBondContact O-N 3.33Å; A58-Y60 PolarHBondContact O-N 3.32Å; A58-D61 PolarHBondContact O-N 3.28Å
59L58.4Low51.6Low135 Ų135125.5 Ų125.571%0.70766%0.656SS**THydrogen-bonded Turntrans-69.1-13.2177.2-80165.4000114.8S55 K57S55-L59 PolarHBondContact O-N 2.99Å; S55-L59 VanDerWaalsContact O-N 3.15Å; K57-L59 VanDerWaalsContact C-N 3.31Å; K57-L59 PolarHBondContact O-N 3.33Å
60Y59.8Low50.7Low203 Ų203123.8 Ų123.880%0.79666%0.656SS**THydrogen-bonded Turntrans-102.1-6.6177.9-89.8-73.7000114.5E56 K57 A58E56-Y60 WeakPolarHBondContact O-CD2 3.44Å; K57-Y60 PolarHBondContact O-N 3.02Å; A58-Y60 PolarHBondContact O-N 3.32Å
61D53Low49.9Very low136 Ų136125.8 Ų125.873%0.72767%0.671SS**SBendtrans-101.10.8-178.5-153.943.5000112.9A58A58-D61 PolarHBondContact O-N 3.28Å
62H51.8Low49Very low153 Ų153128.9 Ų128.971%0.70869%0.687SS**SBendtrans-120.288175.1-70.40.2000109.1I64H62-I64 PolarHBondContact O-N 2.76Å; H62-I64 VanDerWaalsContact O-N 3.08Å
63G37.2Very low48.6Very low75 Ų75137.2 Ų137.277%0.77371%0.71SS**  trans-68.9103.1-174.400000112.9V65G63-V65 PolarHBondContact O-N 3.11Å
64I46.2Very low47.7Very low148 Ų148139.2 Ų139.276%0.75972%0.722SS**  trans-79.5108.7158-66.4179.8000107.5H62 E66H62-I64 PolarHBondContact O-N 2.76Å; H62-I64 VanDerWaalsContact O-N 3.08Å; I64-E66 HydrophobicContact CG2-CB 4.08Å; I64-E66 HydrophobicContact CG2-CG 4.33Å
65V42.1Very low47.5Very low144 Ų144142.3 Ų142.387%0.87373%0.731SS**  trans-93.586.8166.2-174.80000107G63G63-V65 PolarHBondContact O-N 3.11Å
66E44.3Very low46.8Very low138 Ų138144 Ų14465%0.64574%0.74SS**  trans-126.2112.2165.5-87.3-156.894.900111.1I64 H68I64-E66 HydrophobicContact CG2-CB 4.08Å; I64-E66 HydrophobicContact CG2-CG 4.33Å; E66-H68 PolarHBondContact O-N 2.89Å; E66-H68 IonicContact OE1-CE1 3.24Å; E66-H68 PolarHBondContact OE1-CE1 2.84Å; E66-H68 VanDerWaalsContact OE1-CE1 3.24Å; E66-H68 IonicContact OE1-ND1 2.79Å; E66-H68 PolarHBondContact OE1-ND1 3.36Å
67E36.9Very low45.8Very low185 Ų185150.4 Ų150.486%0.86476%0.759SS**  trans-88.278.9172.5-176-174.9157.700108.9
68H44.7Very low45.2Very low146 Ų146150.7 Ų150.768%0.67676%0.763SS**  trans-128.591177.8-77.3130.8000112.5E66E66-H68 PolarHBondContact O-N 2.89Å; E66-H68 IonicContact OE1-CE1 3.24Å; E66-H68 PolarHBondContact OE1-CE1 2.84Å; E66-H68 VanDerWaalsContact OE1-CE1 3.24Å; E66-H68 IonicContact OE1-ND1 2.79Å; E66-H68 PolarHBondContact OE1-ND1 3.36Å
69L40.4Very low44.1Very low154 Ų154152.7 Ų152.781%0.80677%0.773SS**  trans23.7150.2136.7-58.2172.2000121.3
70S44.7Very low43.4Very low100 Ų100152 Ų15270%0.69977%0.774SS**  trans62.3107168.840.80000115.5
71E42Very low42.5Very low187 Ų187148.8 Ų148.887%0.87478%0.776SS**  77.8130.877.9-75.4179.4128.700113.8
72D38.2Very low42.2Very low148 Ų148151.9 Ų151.979%0.79178%0.779SS**  trans39.4112.3168.5-111.4-25.5000119.3
73R46.6Very low41.5Very low232 Ų232148.7 Ų148.788%0.87577%0.773SS**  -156124.1113-74.1-138.4170.4173.1-0.8112.8
74N38.4Very low41.8Very low150 Ų150151.2 Ų151.280%0.80278%0.778SS**  trans-78.3118.5167.9179.7-0.5000110.5
75I50.1Low41.7Very low135 Ų135151.6 Ų151.669%0.69277%0.774SS**  trans-138.5123.3172.2-56.1-178.2000109.5
76P38.1Very low41.7Very low106 Ų106150.6 Ų150.669%0.68876%0.764SS**  trans-66.3145.4177-22.434.2000113.8E78P76-E78 PolarHBondContact O-N 3.33Å; P76-E78 VanDerWaalsContact O-N 3.14Å
77R36.6Very low42.5Very low259 Ų259152.8 Ų152.898%0.97778%0.776SS**  trans-83.578.3168.9-71.7-175.3176.1-177.8-1.4110.6
78E44.6Very low43.1Very low171 Ų171150.7 Ų150.780%0.79977%0.771SS**  trans-87.2166171.9-160.8153.4-135.300111.9P76 V80P76-E78 PolarHBondContact O-N 3.33Å; P76-E78 VanDerWaalsContact O-N 3.14Å; E78-V80 PolarHBondContact O-N 3.47Å
79S33Very low43.2Very low101 Ų101151.5 Ų151.571%0.70678%0.78SS**  trans-58122.6-16255.20000115.6
80V43.1Very low43.8Very low120 Ų120150 Ų15073%0.72778%0.783SS**  trans-110.391.6162.3179.20000109E78 Y82E78-V80 PolarHBondContact O-N 3.47Å; V80-Y82 HydrophobicContact CG1-CD2 3.65Å; V80-Y82 HydrophobicContact CG1-CE2 4.19Å; V80-Y82 PolarHBondContact O-N 3.05Å
81V40.3Very low43.9Very low136 Ų136151.8 Ų151.882%0.82479%0.789SS**  trans-87.797169.9178.40000107.9
82Y46.7Very low44.1Very low201 Ų201151 Ų15179%0.78879%0.791SS**  trans-89.3112.2169.2-109.1-75.9000110.8V80 C84V80-Y82 HydrophobicContact CG1-CD2 3.65Å; V80-Y82 HydrophobicContact CG1-CE2 4.19Å; V80-Y82 PolarHBondContact O-N 3.05Å; Y82-C84 PolarHBondContact O-N 2.86Å
83S38.1Very low44Very low86 Ų86147.4 Ų147.460%0.60179%0.788SS**  trans-73.1110.2166.3177.60000108.3K85S83-K85 PolarHBondContact O-N 2.99Å; S83-K85 VanDerWaalsContact O-N 3.11Å
84C43.5Very low44Very low129 Ų129143.2 Ų143.287%0.87279%0.789SS**  trans-69.8104.3168.7-63.30000108.7Y82Y82-C84 PolarHBondContact O-N 2.86Å
85K43.8Very low43.9Very low156 Ų156145 Ų14568%0.67879%0.792SS**  trans-104.1130.3166.5-80.1-169.4174.9-171.70109.7S83S83-K85 PolarHBondContact O-N 2.99Å; S83-K85 VanDerWaalsContact O-N 3.11Å
86D41.6Very low43.7Very low122 Ų122144.4 Ų144.465%0.65280%0.8SS**  trans48.388.3135.7-35.8-30000115.8
87M61.9Low43.5Very low184 Ų184144.3 Ų144.391%0.90681%0.808SS**  trans-141.496.8160.8-79.9-73.896.700108.5
88D49.5Very low43.6Very low142 Ų142135.1 Ų135.176%0.75979%0.794SS**  trans-86167.8-178.3-58.3-66.7000112.9
89D46.5Very low43.4Very low162 Ų162134.8 Ų134.887%0.86680%0.797SS**  trans46.386.1154.6-64.5-20.7000119.5
90S53.4Low43.8Very low122 Ų122138 Ų13885%0.85381%0.805SS**  trans-150.7131.2133.6-166.70000111.7
91V46.5Very low43.7Very low138 Ų138139.4 Ų139.484%0.83681%0.814SS**  trans-109.7113.4176.9-71.60000110.4
92D45.6Very low43.6Very low172 Ų172137.5 Ų137.592%0.9281%0.812SS**  trans-157.2145.3149.3-116.9-34.5000111.3
93G36.7Very low43.5Very low71 Ų71131.6 Ų131.673%0.73280%0.8SS**  trans-100132.1-158.400000116.1
94V45.8Very low43.7Very low145 Ų145135.3 Ų135.388%0.87981%0.808SS**  trans-124.7138.8160.6-176.20000110.2
95Q36.5Very low44Very low188 Ų188135.2 Ų135.288%0.87980%0.799SS**  trans-90.9110.9-165.7-60.9166.320.100112.4A97Q95-A97 PolarHBondContact O-N 2.81Å
96S45Very low44.4Very low122 Ų122134 Ų13485%0.85380%0.799SS**  trans-97.543.4172.353.60000112.9G98S96-G98 PolarHBondContact O-N 3.24Å
97A35.7Very low44.9Very low103 Ų103134.1 Ų134.185%0.85180%0.798SS**  trans-74.282.2-177.300000112.4Q95Q95-A97 PolarHBondContact O-N 2.81Å
98G37Very low44.5Very low67 Ų67132.4 Ų132.469%0.69179%0.786SS**  trans-158.210.2-171.600000120.4S96S96-G98 PolarHBondContact O-N 3.24Å
99L41.8Very low44.3Very low164 Ų164130.5 Ų130.586%0.85978%0.784SS**SBendtrans-147.326.7-174.4-146.673.5000118.3
100L40.2Very low44Very low168 Ų168125.5 Ų125.588%0.8877%0.771SS**  trans-136.675.1179.3-73176.4000114.2
101V41.8Very low43.8Very low150 Ų150126 Ų12691%0.90977%0.771SS**  trans-137.659.2170.2-166.70000111.1
102A38.3Very low43.8Very low95 Ų95127.3 Ų127.379%0.78577%0.771SS**SBendtrans-159.357.2-18000000114.6
103S44.2Very low43.4Very low77 Ų77128.2 Ų128.254%0.53877%0.767SS.*  trans-158.3-29.9172.3-74.90000116.8N105S103-N105 VanDerWaalsContact C-N 3.26Å; S103-N105 PolarHBondContact O-N 2.96Å
104E43.2Very low43.5Very low164 Ų164128.9 Ų128.977%0.76677%0.766SS**THydrogen-bonded Turntrans-77.720.2-155.9-56-165.1126.500118.3K108E104-K108 PolarHBondContact O-NZ 3.45Å
105N49.9Very low43Very low128 Ų128127.8 Ų127.868%0.68476%0.76SS**THydrogen-bonded Turntrans-111.6-8.7-177.9-73.7-20.1000114.9S103 L107 K108S103-N105 VanDerWaalsContact C-N 3.26Å; S103-N105 PolarHBondContact O-N 2.96Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 3.25Å; N105-K108 PolarHBondContact O-N 3.23Å
106I52Low43.2Very low131 Ų131126.2 Ų126.267%0.67276%0.757SS**G310 helixtrans-70.4-28.8-174.4-58.5177.7000112.5K108I106-K108 VanDerWaalsContact C-N 3.31Å; I106-K108 PolarHBondContact O-N 3.14Å
107L52.3Low42.7Very low123 Ų123130.3 Ų130.364%0.64476%0.76SS**G310 helixtrans-88.414.6179.1-64.9174.8000114.2N105N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 3.25Å
108K53.3Low43.1Very low148 Ų148130.9 Ų130.964%0.64376%0.758SS**G310 helixtrans-114.73.1-175.3-69.4170.8-176.41460114.6E104 N105 I106E104-K108 PolarHBondContact O-NZ 3.45Å; N105-K108 PolarHBondContact O-N 3.23Å; I106-K108 VanDerWaalsContact C-N 3.31Å; I106-K108 PolarHBondContact O-N 3.14Å
109S43.9Very low43.1Very low103 Ų103136.5 Ų136.572%0.7277%0.766SS**  trans-82.9118.1171.154.40000111.1
110G41.8Very low42.9Very low57 Ų57133.7 Ų133.759%0.58876%0.76SS**  trans-67.6176.6175.300000114.3I112G110-I112 PolarHBondContact O-N 2.69Å
111P48Very low42.8Very low132 Ų132131.7 Ų131.786%0.85775%0.754SS**  trans-64.4126.2-171.325.7-34.6000112.7K113P111-K113 PolarHBondContact O-N 3.07Å
112I46.5Very low42.5Very low166 Ų166133.4 Ų133.485%0.85175%0.752SS**  trans-69.4114.3173.6-59.7174.8000108.4G110 A114G110-I112 PolarHBondContact O-N 2.69Å; I112-A114 PolarHBondContact O-N 3.01Å
113K37.9Very low42.3Very low190 Ų190135.9 Ų135.983%0.82675%0.753SS**  trans-78.677.5-174-166.9177.8-175.4178.80111.4P111 T115P111-K113 PolarHBondContact O-N 3.07Å; K113-T115 PolarHBondContact O-N 3.42Å
114A38.5Very low41.8Very low86 Ų86142 Ų14271%0.71177%0.77SS**  trans-67.3117.6175.700000111.3I112I112-A114 PolarHBondContact O-N 3.01Å
115T35.5Very low41.2Very low121 Ų121137.7 Ų137.774%0.74277%0.769SS**  trans-102.282-174.252.40000112.3K113K113-T115 PolarHBondContact O-N 3.42Å
116N41.5Very low40.3Very low156 Ų156138.1 Ų138.183%0.83478%0.776SS**  trans-104.7126.8173.7-68.12.9000110.4
117K34.3Very low39.5Very low207 Ų207137.7 Ų137.790%0.978%0.78SS**  trans-98.7119.5171-80.6-178.1173.2-179.20109.9
118S42.8Very low38.7Very low116 Ų116139.2 Ų139.281%0.81179%0.789SS**  trans175.3125.9154.1-850000104.9
119Q38.5Very low37.7Very low184 Ų184138.5 Ų138.586%0.8680%0.801SS**  cis77.7136.430.3-155.81701.300113.1
120S36.6Very low37.4Very low106 Ų106140.3 Ų140.374%0.74180%0.803SS**  trans57.9125.5-134.973.20000112.3
121V37.8Very low37.1Very low125 Ų125146 Ų14676%0.75881%0.811SS**  cis73.993.719.7-165.80000114.3
122E36.4Very low36.4Very low186 Ų186146.3 Ų146.387%0.86981%0.811SS**  trans-151.1147.6132.2-125.5165.4-140.700109.9
123N33.7Very low36.1Very low148 Ų148148.5 Ų148.579%0.79181%0.814SS**  trans-111.2125.9179.3-62.2-62.5000109.1
124F32.8Very low35.8Very low206 Ų206147.7 Ų147.790%0.90481%0.813SS**  trans-139.1125.7150.1-102.3-80.4000109.7
125G30.9Very low35.9Very low72 Ų72150.4 Ų150.474%0.74282%0.82SS**  trans-97.7140.7173.200000110.1
126T32.2Very low35.9Very low137 Ų137151.3 Ų151.384%0.8482%0.821SS**  trans-124.6109.9172.7-50.10000108
127T35.2Very low36Very low123 Ų123149.2 Ų149.276%0.75582%0.816SS**  trans-87.4126.8175.2470000110.7
128D34.5Very low36.2Very low155 Ų155145.6 Ų145.683%0.82981%0.811SS**  trans46.9106.5149.3-53.4-46.9000118.8
129C31.7Very low35.9Very low133 Ų133146.1 Ų146.190%0.89981%0.809SS**  trans-80.7142163.2-600000110.4
130D37.4Very low35.7Very low141 Ų141140.8 Ų140.875%0.75480%0.803SS**  trans-143.3151.1169.8-163.810.4000111.8
131K35.7Very low35.6Very low176 Ų176140.9 Ų140.977%0.76580%0.804SS**  trans65.381.3169.7-52.4-169-177.7169.60119.5
132V33.9Very low35.7Very low139 Ų139144 Ų14484%0.84281%0.81SS**  trans-8.6127.2133-179.60000116
133K39.6Very low35.9Very low212 Ų212144.9 Ų144.992%0.92281%0.811SS**  trans-154.3144.9134.3-120.7175.8-176.9-178.10113.9
134E31.5Very low35.7Very low172 Ų172145.2 Ų145.280%0.80481%0.812SS**  trans-96.5130.7-168.7165.2-165.6-178.800111.9
135V41.3Very low35.6Very low143 Ų143141.3 Ų141.387%0.86781%0.807SS**  trans-158.2128.3154.8172.90000110
136D36.3Very low35.6Very low141 Ų141141.5 Ų141.575%0.75480%0.802SS**  trans-96.3177.5168.3-88.9-46.4000111.7
137P43.6Very low35.7Very low111 Ų111141.8 Ų141.872%0.72180%0.803SS**  cis-132.1-169.5-48.139.7-24000110.4
138V37.4Very low35.5Very low131 Ų131141.1 Ų141.179%0.79480%0.799SS**  trans-175.8132.9138.21370000114.1
139T36.2Very low35.5Very low127 Ų127141.1 Ų141.178%0.77980%0.798SS**  trans22.6115.7154.2-45.20000121.5
140G34.8Very low35.4Very low72 Ų72140.7 Ų140.774%0.74280%0.795SS**  trans-154117155.900000111.3
141S35.1Very low35.3Very low108 Ų108143.8 Ų143.876%0.75580%0.798SS**  trans-100110-167.9-600000114
142H39.8Very low35.2Very low192 Ų192142.4 Ų142.489%0.88980%0.799SS**  trans-127.8153165.4-72.8-90000111.6
143K40.5Very low35.3Very low203 Ų203143.4 Ų143.488%0.88380%0.799SS**  trans-89.2144.2-167.5-67.9176.6178.4174.90113
144L30Very low35Very low156 Ų156139.6 Ų139.682%0.81780%0.797SS**  trans7.7145.6136.9-73.5174.8000118.8
145P29.9Very low35.2Very low123 Ų123138.6 Ų138.680%0.79980%0.798SS**  cis-134.4167.644.639.6-24.1000117.6
146A31.3Very low35Very low76 Ų76139.2 Ų139.263%0.62880%0.796SS**  trans-75144.9171.200000111.7T148A146-T148 PolarHBondContact O-N 3.12Å; A146-T148 VanDerWaalsContact O-N 3.14Å
147V34.2Very low35Very low144 Ų144136.3 Ų136.387%0.87380%0.8SS**  trans-82.185.8168.3-177.90000108.5
148T31.1Very low34.7Very low109 Ų109135.9 Ų135.967%0.66980%0.799SS**  trans-65131.9172.6-56.70000110.1A146 C150A146-T148 PolarHBondContact O-N 3.12Å; A146-T148 VanDerWaalsContact O-N 3.14Å; T148-C150 PolarHBondContact O-N 3.46Å; T148-C150 VanDerWaalsContact O-N 3.15Å
149L33.7Very low34.6Very low154 Ų154136 Ų13681%0.80681%0.805SS**  trans-71104.5169.7-69.2172.1000109.2Y151L149-Y151 VanDerWaalsContact C-N 3.29Å; L149-Y151 PolarHBondContact O-N 3.37Å
150C29.9Very low34.6Very low124 Ų124139 Ų13984%0.83881%0.81SS**  trans-74.480.6175.3-64.20000111.6T148T148-C150 PolarHBondContact O-N 3.46Å; T148-C150 VanDerWaalsContact O-N 3.15Å
151Y35.4Very low34.6Very low206 Ų206144 Ų14481%0.80881%0.814SS**  trans-103.3149.3147.4-88.7-92.4000109.1L149L149-Y151 VanDerWaalsContact C-N 3.29Å; L149-Y151 PolarHBondContact O-N 3.37Å
152D33.6Very low35.4Very low147 Ų147144.4 Ų144.479%0.78681%0.813SS**  trans65.6176.2175.2-54.5-38.8000117.7
153L35.7Very low35.2Very low161 Ų161142.4 Ų142.484%0.84381%0.81SS**  trans7078.8-177.9-51.6-175.5000117.1
154C34.3Very low35.3Very low132 Ų132139.8 Ų139.889%0.89281%0.805SS**  trans-138.775.5145.1-87.40000108.4
155N34.7Very low35.7Very low151 Ų151139.8 Ų139.881%0.80781%0.805SS**  trans-142.841.7-178.5-16153.9000112.4G157N155-G157 PolarHBondContact O-N 2.69Å; N155-G157 VanDerWaalsContact O-N 3.08Å
156D37.9Very low35.9Very low155 Ų155139.8 Ų139.883%0.82981%0.805SS**  trans-78.687.5177-67.7-60000111.3S158D156-S158 PolarHBondContact O-N 2.92Å
157G36.9Very low36.1Very low81 Ų81142 Ų14284%0.83582%0.816SS**  trans-85.478.7169.500000112N155N155-G157 PolarHBondContact O-N 2.69Å; N155-G157 VanDerWaalsContact O-N 3.08Å
158S36.8Very low36.2Very low101 Ų101140.6 Ų140.671%0.70681%0.807SS**  trans-153.6119.7166.161.80000113.8D156D156-S158 PolarHBondContact O-N 2.92Å
159C35.4Very low36.5Very low135 Ų135145.1 Ų145.191%0.91281%0.814SS**  trans179.6137.4144.5-92.90000106.7
160Q36.8Very low36.7Very low190 Ų190145.7 Ų145.789%0.88881%0.812SS**  trans-88.2138-176.7-70.6157.5-11000110.8
161E34.8Very low36.9Very low176 Ų176146.6 Ų146.682%0.82281%0.814SS**  trans-68.9137.3157.4-72.8-85.7107.800109
162P51.8Low37Very low116 Ų116141.6 Ų141.675%0.75382%0.815SS**  trans-103.8106.8158.533.2-22.6000110D164P162-D164 PolarHBondContact O-N 3.31Å
163D33.9Very low37.1Very low151 Ų151138.9 Ų138.981%0.80782%0.822SS**  trans-63.8125.8162.2-72.8-73.4000109.7
164D43.5Very low37.1Very low147 Ų147134.5 Ų134.579%0.78682%0.816SS**  trans-165.9120140.3-114.5-30000114.1P162P162-D164 PolarHBondContact O-N 3.31Å
165L37.6Very low37.2Very low156 Ų156133.6 Ų133.682%0.81782%0.818SS**  trans61.2133.3154-65.7163.6000121.7
166P35.8Very low37.5Very low124 Ų124133.1 Ų133.181%0.80582%0.82SS**  trans-94.2157.1179.537.8-35.5000114.1
167S34.5Very low37.7Very low123 Ų123129.4 Ų129.486%0.8681%0.811SS**  trans-144.2147.2159.7-168.50000112
168V36.9Very low38.1Very low113 Ų113131.6 Ų131.669%0.68581%0.81SS**  trans-88.4140.5179.9171.90000109.4
169Y36.9Very low38.7Very low205 Ų205133.3 Ų133.380%0.80482%0.817SS**  175119127.5-90.9-62.6000113.8
170Q37.4Very low39.2Very low166 Ų166131 Ų13178%0.77680%0.803SS**  trans33107.4144.9-62.917613.500121.6
171T34Very low39.8Very low142 Ų142133.6 Ų133.687%0.87180%0.804SS**  44.3101.6117.1-440000120.5
172A38.2Very low40.8Very low101 Ų101130.6 Ų130.684%0.83579%0.786SS**  trans-169.3135.5131.200000114
173G35.6Very low41.8Very low90 Ų90127.9 Ų127.993%0.92877%0.77SS**  trans5080.1146.900000120.9
174G36.2Very low43.8Very low69 Ų69126.4 Ų126.471%0.71177%0.766SS**  trans-160.1113.3165.300000113.3V176G174-V176 PolarHBondContact O-N 2.81Å
175A35.1Very low45.3Very low113 Ų113129 Ų12993%0.93477%0.765SS**  trans-86.688.9-179.100000111.5
176V42.4Very low47.3Very low141 Ų141126.1 Ų126.186%0.85575%0.747SS**PPolyproline II helixtrans-82.7122.6175.2-177.40000110.2G174G174-V176 PolarHBondContact O-N 2.81Å
177A40.9Very low49.2Very low77 Ų77126 Ų12664%0.63673%0.73SS**PPolyproline II helixtrans-74.5139.6179.100000111.9T179A177-T179 PolarHBondContact O-N 3.47Å
178P45.2Very low51.4Low127 Ų127124 Ų12483%0.82571%0.71SS**PPolyproline II helixtrans-68.2116.9177.827.5-33.8000110.9S180P178-S180 PolarHBondContact O-N 3.38Å; P178-S180 VanDerWaalsContact O-N 3.12Å
179T49.6Very low53.5Low138 Ų138123.5 Ų123.585%0.84770%0.703SS**  trans-69.1106.9-174.941.90000111.8A177 R181A177-T179 PolarHBondContact O-N 3.47Å; T179-R181 PolarHBondContact O-N 3.29Å
180S47.4Very low55.6Low87 Ų87118.5 Ų118.561%0.60869%0.687SS**  trans-69.289.7-175.8162.70000113.3P178 R187P178-S180 PolarHBondContact O-N 3.38Å; P178-S180 VanDerWaalsContact O-N 3.12Å; S180-R187 PolarHBondContact OG-NH2 3.2Å; S180-R187 VanDerWaalsContact OG-NH2 3.08Å
181R47.7Very low57.4Low243 Ų243114.5 Ų114.592%0.91767%0.67SS**  trans-99.935.9151.2-74.3-168.3175.8-174.90.7112.5T179 S183T179-R181 PolarHBondContact O-N 3.29Å; R181-S183 PolarHBondContact O-N 2.85Å
182Y55.8Low59.6Low114 Ų114111.2 Ų111.245%0.44765%0.645SS.*  trans-65.999.2172.6-141.4-84.9000109.6Q186 R187 H190Y182-Q186 HydrophobicContact CD1-CB 3.83Å; Y182-Q186 HydrophobicContact CE1-CB 3.7Å; Y182-R187 HydrophobicContact CD1-CG 3.91Å; Y182-R187 PolarHBondContact O-NE 3.03Å; Y182-H190 PolarHBondContact OH-ND1 2.66Å
183S72.9Confident61.6Low59 Ų59110.8 Ų110.841%0.41363%0.625SS.*  trans-56.4146.2-167.8172.40000112.2R181 R185 Q186 R187R181-S183 PolarHBondContact O-N 2.85Å; S183-R185 PolarHBondContact O-N 3.37Å; S183-R185 VanDerWaalsContact O-N 3.13Å; S183-R185 PolarHBondContact OG-N 3.5Å; S183-Q186 WeakPolarHBondContact O-CA 3.32Å; S183-Q186 WeakPolarHBondContact O-CB 3.36Å; S183-Q186 PolarHBondContact O-N 2.93Å; S183-R187 WeakPolarHBondContact O-CG 3.2Å; S183-R187 PolarHBondContact O-N 3.15Å
184V75.8Confident63.5Low119 Ų119113 Ų11372%0.72161%0.606SS**Hα-helixtrans-52.8-36.1173.8-179.10000110.9R187 L188V184-R187 PolarHBondContact O-N 3.28Å; V184-L188 WeakPolarHBondContact O-CB 3.23Å; V184-L188 PolarHBondContact O-N 3.04Å
185R76.3Confident65.4Low202 Ų202113 Ų11376%0.76259%0.589SS**Hα-helixtrans-65.5-42.3175.3-169.8175.5-178.6177.7-0.1112.6S183 L188 L189S183-R185 PolarHBondContact O-N 3.37Å; S183-R185 VanDerWaalsContact O-N 3.13Å; S183-R185 PolarHBondContact OG-N 3.5Å; R185-L188 PolarHBondContact O-N 3.26Å; R185-L189 WeakPolarHBondContact O-CG 2.94Å; R185-L189 PolarHBondContact O-N 3.4Å
186Q78.2Confident67.2Low95 Ų95115.8 Ų115.844%0.44458%0.575SS.*Hα-helixtrans-67.1-42173.9-74.2175-42.200111.6Y182 S183 L188 L189 H190Y182-Q186 HydrophobicContact CD1-CB 3.83Å; Y182-Q186 HydrophobicContact CE1-CB 3.7Å; S183-Q186 WeakPolarHBondContact O-CA 3.32Å; S183-Q186 WeakPolarHBondContact O-CB 3.36Å; S183-Q186 PolarHBondContact O-N 2.93Å; Q186-L188 VanDerWaalsContact C-N 3.28Å; Q186-L188 PolarHBondContact O-N 2.93Å; Q186-L189 PolarHBondContact O-N 3.05Å; Q186-H190 WeakPolarHBondContact O-CB 3.43Å; Q186-H190 PolarHBondContact O-N 3.11Å
187R76.8Confident68.7Low121 Ų121114.1 Ų114.146%0.45756%0.561SS.*Hα-helixtrans-59.8-40.1174.9-65-178.5-170.9-145.9-5.1111.4S180 Y182 S183 V184 L191S180-R187 PolarHBondContact OG-NH2 3.2Å; S180-R187 VanDerWaalsContact OG-NH2 3.08Å; Y182-R187 HydrophobicContact CD1-CG 3.91Å; Y182-R187 PolarHBondContact O-NE 3.03Å; S183-R187 WeakPolarHBondContact O-CG 3.2Å; S183-R187 PolarHBondContact O-N 3.15Å; V184-R187 PolarHBondContact O-N 3.28Å; R187-L191 VanDerWaalsContact O-CB 3.29Å; R187-L191 WeakPolarHBondContact O-CB 3.35Å; R187-L191 PolarHBondContact O-N 3.04Å; R187-L191 VanDerWaalsContact O-N 3.11Å
188L81.3Confident69.7Low83 Ų83116 Ų11644%0.43556%0.557SS.*Hα-helixtrans-64.7-49.1176.7-155.483.7000111.4V184 R185 Q186 H190 L191 E192V184-L188 WeakPolarHBondContact O-CB 3.23Å; V184-L188 PolarHBondContact O-N 3.04Å; R185-L188 PolarHBondContact O-N 3.26Å; Q186-L188 VanDerWaalsContact C-N 3.28Å; Q186-L188 PolarHBondContact O-N 2.93Å; L188-H190 PolarHBondContact O-N 3.09Å; L188-L191 PolarHBondContact O-N 2.96Å; L188-L191 VanDerWaalsContact O-N 3.09Å; L188-E192 PolarHBondContact O-N 3.24Å
189L80.7Confident70.3Confident101 Ų101116 Ų11653%0.52956%0.557SS.*Hα-helixtrans-59.5-45176.4-72170.4000111.9R185 Q186 L191 E192 Q193R185-L189 WeakPolarHBondContact O-CG 2.94Å; R185-L189 PolarHBondContact O-N 3.4Å; Q186-L189 PolarHBondContact O-N 3.05Å; L189-L191 PolarHBondContact O-N 3.13Å; L189-E192 PolarHBondContact O-N 2.98Å; L189-Q193 VanDerWaalsContact O-CB 3.3Å; L189-Q193 WeakPolarHBondContact O-CB 3.38Å; L189-Q193 PolarHBondContact O-N 3.19Å
190H79.9Confident70.9Confident101 Ų101111.9 Ų111.947%0.46853%0.529SS..Hα-helixtrans-70.8-9.2178.3-140118.8000113.3Y182 Q186 L188 R194Y182-H190 PolarHBondContact OH-ND1 2.66Å; Q186-H190 WeakPolarHBondContact O-CB 3.43Å; Q186-H190 PolarHBondContact O-N 3.11Å; L188-H190 PolarHBondContact O-N 3.09Å; H190-R194 PolarHBondContact O-NE 3.18Å; H190-R194 PolarHBondContact O-NH2 3.46Å
191L75.8Confident72Confident81 Ų81111.9 Ų111.942%0.42453%0.526SS..Hα-helixtrans-99.7-37.2173.4-170.1141.3000110.9R187 L188 L189 R194 I195R187-L191 VanDerWaalsContact O-CB 3.29Å; R187-L191 WeakPolarHBondContact O-CB 3.35Å; R187-L191 PolarHBondContact O-N 3.04Å; R187-L191 VanDerWaalsContact O-N 3.11Å; L188-L191 PolarHBondContact O-N 2.96Å; L188-L191 VanDerWaalsContact O-N 3.09Å; L189-L191 PolarHBondContact O-N 3.13Å; L191-R194 PolarHBondContact O-N 3.24Å; L191-I195 HydrophobicContact CD2-CD1 3.66Å; L191-I195 WeakPolarHBondContact O-CG1 3.4Å; L191-I195 PolarHBondContact O-N 3.37Å
192E80.3Confident73Confident73 Ų73105.9 Ų105.934%0.34151%0.511SS..Hα-helixtrans-61.6-45.1169.5-167.6-174.9139.100111.4L188 L189 R194 I195 R196L188-E192 PolarHBondContact O-N 3.24Å; L189-E192 PolarHBondContact O-N 2.98Å; E192-R194 VanDerWaalsContact C-N 3.35Å; E192-R194 PolarHBondContact O-N 2.73Å; E192-I195 WeakPolarHBondContact O-CB 3.39Å; E192-I195 PolarHBondContact O-N 3.29Å; E192-R196 WeakPolarHBondContact O-CG 3.49Å; E192-R196 PolarHBondContact O-N 2.94Å; E192-R196 IonicContact OE1-CZ 3.53Å; E192-R196 IonicContact OE1-NE 2.69Å; E192-R196 IonicContact OE1-NH2 2.7Å; E192-R196 PolarHBondContact OE1-NH2 2.91Å
193Q80.4Confident73.8Confident93 Ų93108.5 Ų108.544%0.43553%0.525SS..Hα-helixtrans-56-47.8174-16963.243.800111L189 I195 R196 D197L189-Q193 VanDerWaalsContact O-CB 3.3Å; L189-Q193 WeakPolarHBondContact O-CB 3.38Å; L189-Q193 PolarHBondContact O-N 3.19Å; Q193-I195 VanDerWaalsContact C-N 3.27Å; Q193-I195 PolarHBondContact O-N 2.99Å; Q193-R196 WeakPolarHBondContact O-CB 3.37Å; Q193-R196 PolarHBondContact O-N 2.73Å; Q193-D197 WeakPolarHBondContact CG-OD2 3.33Å; Q193-D197 PolarHBondContact NE2-OD1 3.2Å; Q193-D197 PolarHBondContact NE2-OD2 3.06Å; Q193-D197 WeakPolarHBondContact O-CB 3.47Å; Q193-D197 PolarHBondContact O-N 2.97Å
194R74.5Confident73.8Confident137 Ų137107.3 Ų107.352%0.51752%0.517SS..Hα-helixtrans-64.6-24.7175.3-83.9-177.1-73.2168.8-5.9114.6H190 L191 E192 Q198H190-R194 PolarHBondContact O-NE 3.18Å; H190-R194 PolarHBondContact O-NH2 3.46Å; L191-R194 PolarHBondContact O-N 3.24Å; E192-R194 VanDerWaalsContact C-N 3.35Å; E192-R194 PolarHBondContact O-N 2.73Å; R194-Q198 PolarHBondContact O-N 2.93Å
195I75.8Confident73.5Confident69 Ų69104.3 Ų104.335%0.35450%0.496SS..Hα-helixtrans-77.9-28.8173.1-71.3167.7000111.3L191 E192 Q193 L200L191-I195 HydrophobicContact CD2-CD1 3.66Å; L191-I195 WeakPolarHBondContact O-CG1 3.4Å; L191-I195 PolarHBondContact O-N 3.37Å; E192-I195 WeakPolarHBondContact O-CB 3.39Å; E192-I195 PolarHBondContact O-N 3.29Å; Q193-I195 VanDerWaalsContact C-N 3.27Å; Q193-I195 PolarHBondContact O-N 2.99Å; I195-L200 HydrophobicContact CG1-CD1 3.97Å
196R73.4Confident73.4Confident171 Ų17199.6 Ų99.665%0.64548%0.483SS*.Hα-helixtrans-73.8-42.5170.5-61.4176.1-171.2-161.14.7111.5E192 Q193 Q198E192-R196 WeakPolarHBondContact O-CG 3.49Å; E192-R196 PolarHBondContact O-N 2.94Å; E192-R196 IonicContact OE1-CZ 3.53Å; E192-R196 IonicContact OE1-NE 2.69Å; E192-R196 IonicContact OE1-NH2 2.7Å; E192-R196 PolarHBondContact OE1-NH2 2.91Å; Q193-R196 WeakPolarHBondContact O-CB 3.37Å; Q193-R196 PolarHBondContact O-N 2.73Å; R196-Q198 PolarHBondContact O-N 2.91Å
197D73.2Confident73.1Confident105 Ų10598.5 Ų98.556%0.56149%0.486SS*.SBendtrans-85.4-3.7-169.5-58.4-18.6000114Q193Q193-D197 WeakPolarHBondContact CG-OD2 3.33Å; Q193-D197 PolarHBondContact NE2-OD1 3.2Å; Q193-D197 PolarHBondContact NE2-OD2 3.06Å; Q193-D197 WeakPolarHBondContact O-CB 3.47Å; Q193-D197 PolarHBondContact O-N 2.97Å
198Q63.5Low72.9Confident118 Ų11896.7 Ų96.755%0.55148%0.484SS*.SBendtrans-128.7131.3173.6-67.4-162.90.400112.8R194 R196 L200R194-Q198 PolarHBondContact O-N 2.93Å; R196-Q198 PolarHBondContact O-N 2.91Å; Q198-L200 VanDerWaalsContact C-N 3.25Å; Q198-L200 PolarHBondContact O-N 3.22Å
199P57.7Low72.4Confident126 Ų12696.6 Ų96.682%0.81848%0.484SS*.  trans-7282.3167.531.1-33.9000109.9T201P199-T201 PolarHBondContact O-N 3.3Å
200L62.5Low72Confident51 Ų5197 Ų9727%0.26748%0.484SS..  trans-62.693.4174.8-73.8174.2000110.1I195 Q198 L205I195-L200 HydrophobicContact CG1-CD1 3.97Å; Q198-L200 VanDerWaalsContact C-N 3.25Å; Q198-L200 PolarHBondContact O-N 3.22Å; L200-L205 HydrophobicContact CB-CG 4.49Å; L200-L205 HydrophobicContact CD1-CD2 4.49Å
201T68.6Low71.4Confident88 Ų8895.5 Ų95.554%0.5449%0.485SS..  trans-52.6144.4-179.465.50000111.2P199 K203 S204 L205P199-T201 PolarHBondContact O-N 3.3Å; T201-K203 PolarHBondContact O-N 2.96Å; T201-S204 WeakPolarHBondContact O-CA 3.37Å; T201-S204 WeakPolarHBondContact O-CB 3.32Å; T201-S204 PolarHBondContact O-N 2.67Å; T201-S204 PolarHBondContact O-OG 2.89Å; T201-L205 PolarHBondContact O-N 2.99Å
202L68.8Low70.4Confident116 Ų11694.2 Ų94.261%0.60748%0.483SS*.Hα-helixtrans-49.3-38-177.6-161.7165.4000112.5S204 L205 Q206L202-S204 VanDerWaalsContact C-N 3.32Å; L202-S204 PolarHBondContact O-N 2.72Å; L202-L205 PolarHBondContact O-N 3.48Å; L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 3.43Å
203K74Confident69.2Low170 Ų17097.6 Ų97.674%0.73950%0.497SS*.Hα-helixtrans-58.2-36.8175.1-64.4-176.8179.3-179.70113.5T201 S207T201-K203 PolarHBondContact O-N 2.96Å; K203-S207 WeakPolarHBondContact O-CB 3.47Å; K203-S207 PolarHBondContact O-N 2.76Å
204S72.2Confident67.7Low34 Ų34102.1 Ų102.124%0.23852%0.515CS..Hα-helixtrans-69.1-46177.170.10000111.9T201 L202 Q206 S207 I208T201-S204 WeakPolarHBondContact O-CA 3.37Å; T201-S204 WeakPolarHBondContact O-CB 3.32Å; T201-S204 PolarHBondContact O-N 2.67Å; T201-S204 PolarHBondContact O-OG 2.89Å; L202-S204 VanDerWaalsContact C-N 3.32Å; L202-S204 PolarHBondContact O-N 2.72Å; S204-Q206 VanDerWaalsContact C-N 3.35Å; S204-Q206 PolarHBondContact O-N 2.93Å; S204-S207 WeakPolarHBondContact O-CB 3.44Å; S204-S207 PolarHBondContact O-N 3.32Å; S204-I208 WeakPolarHBondContact O-CG1 3.49Å; S204-I208 PolarHBondContact O-N 3.25Å
205L70.2Confident66.2Low56 Ų5699.3 Ų99.329%0.29351%0.509SS..Hα-helixtrans-63.5-40.1175.5-67.7172.8000111.6L200 T201 L202 I208 L209L200-L205 HydrophobicContact CB-CG 4.49Å; L200-L205 HydrophobicContact CD1-CD2 4.49Å; T201-L205 PolarHBondContact O-N 2.99Å; L202-L205 PolarHBondContact O-N 3.48Å; L205-I208 PolarHBondContact O-N 2.94Å; L205-L209 WeakPolarHBondContact O-CB 3.24Å; L205-L209 PolarHBondContact O-N 3.42Å
206Q73.3Confident64.5Low102 Ų102101 Ų10148%0.47753%0.526SS..Hα-helixtrans-62.8-41.8174.1-171.81797.700111.9L202 S204 L209 M210L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 3.43Å; S204-Q206 VanDerWaalsContact C-N 3.35Å; S204-Q206 PolarHBondContact O-N 2.93Å; Q206-L209 PolarHBondContact O-N 3.19Å; Q206-M210 WeakPolarHBondContact O-CB 3.38Å; Q206-M210 VanDerWaalsContact O-CG 3.3Å; Q206-M210 WeakPolarHBondContact O-CG 3.45Å; Q206-M210 PolarHBondContact O-N 3.13Å
207S72.5Confident62.8Low72 Ų72100 Ų10050%0.50353%0.533SS..Hα-helixtrans-61.2-46.9175.4-175.10000112.1K203 S204 M210 S211K203-S207 WeakPolarHBondContact O-CB 3.47Å; K203-S207 PolarHBondContact O-N 2.76Å; S204-S207 WeakPolarHBondContact O-CB 3.44Å; S204-S207 PolarHBondContact O-N 3.32Å; S207-M210 PolarHBondContact O-N 3.43Å; S207-S211 WeakPolarHBondContact O-CB 3.48Å; S207-S211 PolarHBondContact O-N 3.44Å; S207-S211 PolarHBondContact O-OG 3.46Å
208I72Confident61.4Low84 Ų8498.5 Ų98.543%0.43153%0.531SS..Hα-helixtrans-60.5-48.1176.2-66.6162.8000110.1S204 L205 M210 S211 S212S204-I208 WeakPolarHBondContact O-CG1 3.49Å; S204-I208 PolarHBondContact O-N 3.25Å; L205-I208 PolarHBondContact O-N 2.94Å; I208-M210 PolarHBondContact O-N 3.25Å; I208-S211 PolarHBondContact O-N 3.23Å; I208-S212 PolarHBondContact O-N 3.47Å; I208-S212 VanDerWaalsContact O-N 3.13Å; I208-S212 PolarHBondContact O-OG 3.42Å
209L71.5Confident60.3Low81 Ų8199 Ų9942%0.42454%0.537SS..Hα-helixtrans-63-40.2-178.5-163.382.7000112.8L205 Q206 V343L205-L209 WeakPolarHBondContact O-CB 3.24Å; L205-L209 PolarHBondContact O-N 3.42Å; Q206-L209 PolarHBondContact O-N 3.19Å; L209-V343 HydrophobicContact CD1-CG1 3.86Å
210M71.7Confident59.7Low108 Ų108100.3 Ų100.353%0.53254%0.536SS..Hα-helixtrans-73.7-31.6177.5-69.6-60.7-161.700112.5Q206 S207 I208 K213Q206-M210 WeakPolarHBondContact O-CB 3.38Å; Q206-M210 VanDerWaalsContact O-CG 3.3Å; Q206-M210 WeakPolarHBondContact O-CG 3.45Å; Q206-M210 PolarHBondContact O-N 3.13Å; S207-M210 PolarHBondContact O-N 3.43Å; I208-M210 PolarHBondContact O-N 3.25Å; M210-K213 PolarHBondContact O-N 3.01Å; M210-K213 HydrophobicContact SD-CD 4.43Å
211S66.8Low58.6Low70 Ų70104.8 Ų104.849%0.4956%0.56SS.*Hα-helixtrans-65.1-44.3175.6-60.10000111.6S207 I208 K213 K214S207-S211 WeakPolarHBondContact O-CB 3.48Å; S207-S211 PolarHBondContact O-N 3.44Å; S207-S211 PolarHBondContact O-OG 3.46Å; I208-S211 PolarHBondContact O-N 3.23Å; S211-K213 VanDerWaalsContact C-N 3.29Å; S211-K213 PolarHBondContact O-N 2.97Å; S211-K214 PolarHBondContact O-N 3.29Å
212S55.5Low57.1Low54 Ų54105.1 Ų105.138%0.37857%0.567SS.*Hα-helixtrans-63.8-31.1179.2-57.60000113.5I208 K214 I215I208-S212 PolarHBondContact O-N 3.47Å; I208-S212 VanDerWaalsContact O-N 3.13Å; I208-S212 PolarHBondContact O-OG 3.42Å; S212-K214 PolarHBondContact O-N 3.34Å; S212-K214 VanDerWaalsContact O-N 3.15Å; S212-I215 PolarHBondContact O-N 2.79Å
213K54.3Low55.6Low145 Ų145107.9 Ų107.963%0.6358%0.581SS**THydrogen-bonded Turntrans-64.8-16.2-177.8-83.9-176.9174.3-177.30115.1M210 S211M210-K213 PolarHBondContact O-N 3.01Å; M210-K213 HydrophobicContact SD-CD 4.43Å; S211-K213 VanDerWaalsContact C-N 3.29Å; S211-K213 PolarHBondContact O-N 2.97Å
214K48.6Very low53.9Low187 Ų187105.3 Ų105.381%0.81358%0.584SS**THydrogen-bonded Turntrans-88.8-11.3176.4-77.8-170.4172.7-1750114.7S211 S212S211-K214 PolarHBondContact O-N 3.29Å; S212-K214 PolarHBondContact O-N 3.34Å; S212-K214 VanDerWaalsContact O-N 3.15Å
215I43.6Very low52.1Low78 Ų78109.7 Ų109.740%0.462%0.615SS.*THydrogen-bonded Turntrans-96.1-21.6-170-59.5175.6000112.1S212 L217 S218S212-I215 PolarHBondContact O-N 2.79Å; I215-L217 PolarHBondContact O-N 3.02Å; I215-L217 VanDerWaalsContact O-N 3.11Å; I215-S218 PolarHBondContact O-OG 3.35Å
216C39.9Very low50.6Low106 Ų106112.5 Ų112.572%0.71664%0.64SS**THydrogen-bonded Turntrans-78.211.7-175.6-56.10000115.7
217L39.2Very low49.2Very low150 Ų150113.2 Ų113.279%0.78566%0.656SS**THydrogen-bonded Turntrans-127.90.8-176.3-69.3177.5000114.5I215I215-L217 PolarHBondContact O-N 3.02Å; I215-L217 VanDerWaalsContact O-N 3.11Å
218S43Very low47.5Very low73 Ų73113 Ų11351%0.5167%0.665SS.*SBendtrans-105.4-0.8-175.755.50000115.2I215I215-S218 PolarHBondContact O-OG 3.35Å
219N41.3Very low46.3Very low127 Ų127117.6 Ų117.668%0.67969%0.685SS**SBendtrans-118.523.9-162.9-63.210.9000113.6
220L43.4Very low45Very low155 Ų155122.9 Ų122.981%0.81271%0.707SS**SBendtrans-120.8-19179.4-87.3159.4000114S222L220-S222 PolarHBondContact O-N 3.11Å
221D39.2Very low43.8Very low144 Ų144123.6 Ų123.677%0.7772%0.722SS**SBendtrans-96.538.4-172.4-55.5-42.8000113.3
222S39Very low42.9Very low96 Ų96127.4 Ų127.467%0.67174%0.738SS**  trans-144.921-167.7-54.50000116.4L220L220-S222 PolarHBondContact O-N 3.11Å
223L37.1Very low42.3Very low173 Ų173135.2 Ų135.291%0.90677%0.765SS**SBendtrans-136.752.9-176-69.2176000113.9
224S37.6Very low42Very low116 Ų116133.4 Ų133.481%0.81177%0.771SS**  trans-159.654.417563.90000115.9
225S35Very low41.7Very low126 Ų126129.2 Ų129.288%0.88177%0.765SS**  trans-154.4116.7166.9-73.80000112
226S39Very low41.8Very low116 Ų116130.4 Ų130.481%0.81178%0.78SS**  trans-170.8151.8166.1-168.30000111.1
227S42.1Very low42.1Very low116 Ų116130.3 Ų130.381%0.81178%0.781SS**  trans58.3142.8-168.442.90000114.4
228G38.1Very low42.3Very low68 Ų68127.2 Ų127.270%0.70178%0.777SS**  cis102.1137.124.600000108.8
229E47.3Very low42.4Very low181 Ų181131.4 Ų131.485%0.84679%0.793SS**  cis-145.1127.816.8-62168166.500107.9
230E43Very low42.9Very low192 Ų192133.5 Ų133.590%0.89780%0.802SS**  61.4102.899.6-63-172.7-148.500117.5
231S46.8Very low42.9Very low122 Ų122133.9 Ų133.985%0.85381%0.805SS**  trans-165.5136.4146.347.90000111.6
232D47.2Very low43.2Very low151 Ų151130.7 Ų130.781%0.80781%0.806SS**  trans-87.6153.2-177-57-80.6000113.8
233F44.7Very low43.5Very low217 Ų217132.8 Ų132.895%0.95281%0.81SS**  trans-157.5133.2133-107.9-69.9000112
234S46.3Very low44Very low108 Ų108133.5 Ų133.576%0.75581%0.808SS**  trans-79.3175.2173-380000111
235S43.3Very low44.4Very low98 Ų98137.5 Ų137.569%0.68581%0.805SS**  cis-165160.512.1-161.50000111.4
236S46.4Very low44.8Very low104 Ų104138.3 Ų138.373%0.72780%0.8SS**  trans65.3151.1144.8-64.70000120.1
237S44.5Very low45.2Very low104 Ų104139.7 Ų139.773%0.72780%0.803SS**  cis-167.1159.8-13-93.90000110
238A44.4Very low45.2Very low85 Ų85144.9 Ų144.970%0.70281%0.805SS**  trans48.8113.7153.500000119.7
239L45.1Very low45.5Very low161 Ų161153 Ų15384%0.84381%0.814SS**  57.7114.984.3-67.4170.6000115.4
240I52.1Low45.2Very low171 Ų171151.6 Ų151.688%0.87781%0.812SS**  -154.3146.2103.7-32.7178.1000109.1
241D42.3Very low45.3Very low163 Ų163147.4 Ų147.487%0.87281%0.805SS**  trans-76.9157.7166.2-88.1-66.1000113.2
242G47Very low45.3Very low76 Ų76150.8 Ų150.878%0.78480%0.804SS**  trans-179.785.1174.400000115
243D43.3Very low45.2Very low141 Ų141148.3 Ų148.375%0.75480%0.798SS**  trans-76.9129.4176.2177.624.5000112.3
244H49.5Very low45.3Very low187 Ų187143.1 Ų143.187%0.86679%0.789SS**  trans-158.7150.2155.8-124.3-81.6000113.5
245R45.9Very low45.3Very low200 Ų200142.8 Ų142.876%0.75579%0.787SS**  trans-98.1159.4-163.5-53.9-177.6-176.5175.90.6116.5
246D41.8Very low45.5Very low144 Ų144142.9 Ų142.977%0.7779%0.787SS**  trans54123.8144.9-67.9-46.9000120.5
247V48.1Very low45.3Very low145 Ų145144.9 Ų144.988%0.87979%0.79SS**  -169.7147.8117.4138.10000113.4
248R42Very low45.4Very low225 Ų225145 Ų14585%0.84979%0.791SS**  trans-60.1150.2178.6-54.5155.8168.4157.2-8.5114.6
249R44.9Very low45.4Very low237 Ų237145.5 Ų145.589%0.89480%0.795SS**  178.3156.6104.6-97.2173.3-174.2132.8-1.3114.9
250N40.3Very low45.2Very low152 Ų152144.5 Ų144.581%0.81380%0.795SS**  trans-74.3155.3173.7-54.9-9.7000112.4
251S45.8Very low45.1Very low105 Ų105142.4 Ų142.473%0.73480%0.796SS**  174.1146.3104.9-75.50000114.9
252K46.5Very low45Very low193 Ų193141.5 Ų141.584%0.83979%0.791SS**  trans26.3146.6134.4-63.2179.9177.7-178.30120.2
253S45Very low44.8Very low98 Ų98144.2 Ų144.269%0.68579%0.787SS**  cis-179.7-176.1-2.447.30000110.5
254S47.5Very low44.7Very low109 Ų109143.2 Ų143.276%0.76279%0.786SS**  trans72.5165.9163.768.80000118.9
255S45.5Very low44.4Very low101 Ų101138.7 Ų138.771%0.70678%0.781SS**  -177.5153.3-67.750.10000112.7
256S47.2Very low44.1Very low99 Ų99134.7 Ų134.769%0.69278%0.784SS**  trans87.2159.2154.7-52.60000120.7
257D43.4Very low44.1Very low146 Ų146133.4 Ų133.478%0.78179%0.786SS**  trans70.1126.1167.2-56.2-41.5000118.3
258S46.8Very low43.7Very low107 Ų107138.5 Ų138.575%0.74879%0.789SS**  cis85.6142.437.892.30000113.4
259A42.7Very low43.8Very low96 Ų96134 Ų13479%0.79379%0.787SS**  cis-146.7-162.26.900000113
260V42.7Very low43.8Very low139 Ų139128.6 Ų128.684%0.84279%0.786SS**  trans-83.5165.1-169-69.50000116.7
261S49.5Very low43.8Very low128 Ų128132 Ų13290%0.89579%0.787SS**  trans-153162161.5-72.10000109.8
262D39.6Very low43.6Very low144 Ų144132.7 Ų132.777%0.7779%0.787SS**  trans-154.8-177.2-163.1-170.221.1000112.8
263L44.1Very low43.4Very low132 Ų132131.5 Ų131.569%0.69178%0.782SS**  trans83.699.3168.6-54-176.2000116
264T40.3Very low43.3Very low120 Ų120135.8 Ų135.874%0.73678%0.783SS**  72.2127.981.3630000117
265A42.5Very low43.2Very low93 Ų93138.6 Ų138.677%0.76978%0.784SS**  165.2163123.900000115.9
266S40.7Very low43Very low115 Ų115136.9 Ų136.980%0.80478%0.782SS**  trans81.475.3147.3-62.30000122.9
267S40.4Very low42.8Very low117 Ų117139.5 Ų139.582%0.81879%0.794SS**  -3.6143.7129.5-41.80000121.3
268R41Very low42.6Very low252 Ų252136.6 Ų136.695%0.95179%0.79SS**  trans-162.2165138.7-115.3171.8-175.5-160.2-0.1114.1
269T42.9Very low42.4Very low131 Ų131137.2 Ų137.280%0.80480%0.795SS**  trans-140.8151.9-167.655.80000113.4
270S45Very low42.4Very low124 Ų124137.3 Ų137.387%0.86779%0.789SS**  trans155.8172.9152.749.70000112.9
271R40.4Very low42.4Very low222 Ų222135.9 Ų135.984%0.83879%0.786SS**  cis-170101.6-49.8-175.8-174.5178.8-175.42.3112.2
272T42.1Very low42.2Very low121 Ų121136.7 Ų136.774%0.74279%0.785SS**  trans60.9148.9155.366.70000122.2
273K42.8Very low42.3Very low168 Ų168133.3 Ų133.373%0.7378%0.784SS**  142.4119.4107.6-165167.9-176.8179.30119.1
274R42.2Very low42.2Very low188 Ų188131.1 Ų131.171%0.70979%0.785SS**  trans86.7127.9142.5-83.1178.3168.9-171.5-5.6127
275H44.9Very low42.3Very low167 Ų167131.9 Ų131.977%0.77379%0.79SS**  81.2147.1130-66.5-39.8000126.2
276G42.2Very low42.2Very low65 Ų65133.5 Ų133.567%0.6779%0.79SS**  trans131.2108174.800000111.7
277V42.5Very low42.3Very low154 Ų154134.4 Ų134.493%0.93379%0.79SS**  cis55.2138.445.3-65.50000117.3
278A38.9Very low42.7Very low85 Ų85134.1 Ų134.170%0.70279%0.786SS**  cis-174.4176.3-19.200000111.5
279S44.1Very low42.6Very low121 Ų121131.1 Ų131.185%0.84678%0.78SS**  trans73.6160.9167.9-52.60000117.6
280S42.4Very low42.5Very low98 Ų98133.5 Ų133.569%0.68577%0.774SS**  cis-162.6142.7-5.235.90000107.5
281S41.7Very low42.2Very low109 Ų109137.1 Ų137.176%0.76277%0.769SS**  60.9145.26677.40000115.3
282V46.7Very low42.1Very low144 Ų144131.8 Ų131.887%0.87377%0.766SS**  cis-154.4148.720.6-170.60000113.1
283G40.2Very low41.7Very low74 Ų74135.5 Ų135.576%0.76377%0.772SS**  trans101.9169.6143.200000121.4
284A42.3Very low41.8Very low86 Ų86132.3 Ų132.371%0.71177%0.768SS**  cis-175.9153.3-21.600000114.2
285T42.3Very low41.6Very low136 Ų136130.6 Ų130.683%0.83477%0.768SS**  trans63.1158.3150.846.50000120.6
286T40.4Very low41.3Very low126 Ų126130.6 Ų130.677%0.77377%0.769SS**  cis-156.2175.2-6.1-105.30000111
287V43.4Very low41.2Very low134 Ų134131.2 Ų131.281%0.81277%0.768SS**  trans-114.5-161.1-161.5-135.40000114.3
288P48.6Very low41Very low112 Ų112130.2 Ų130.273%0.72776%0.762SS**  trans-123.5-177-134.844.9-26.8000117
289F38.4Very low41.1Very low188 Ų188132.5 Ų132.583%0.82577%0.766SS**  trans-159178.9164.4-130.3-98.4000112.2
290R41.1Very low41Very low182 Ų182132.7 Ų132.769%0.68776%0.762SS**  -166.6150.9-84.4-156.6-172.6-160.9-113.55.8108.4
291R39.6Very low40.8Very low200 Ų200131.7 Ų131.776%0.75576%0.76SS**  trans71.2156.4171.3-67.9173.2168.5151.5-7.5115.8
292S37.2Very low40.7Very low109 Ų109132 Ų13276%0.76276%0.762SS**  cis-163.8157.8-937.50000113.5
293F33.5Very low40.5Very low199 Ų199134 Ų13487%0.87376%0.764SS**  trans-71.4-177.7158.8-78.6-84.5000111.6
294P45.4Very low40.2Very low101 Ų101138.9 Ų138.966%0.65677%0.767SS**  cis-145.7-176.514.740.4-17.8000119.3
295E38Very low40.4Very low153 Ų153144.5 Ų144.572%0.71578%0.775SS**  trans83.5152.1134.7-104-179.590.900125.9
296Q39.3Very low40.3Very low167 Ų167144.2 Ų144.278%0.7877%0.774SS**  trans71.3147.3156.1-69.416840.300119.2
297A38.7Very low40.7Very low78 Ų78144.1 Ų144.165%0.64578%0.775SS**  cis-168137-16.200000114.3
298V38.4Very low40.5Very low133 Ų133143.9 Ų143.981%0.80678%0.779SS**  trans66166.8137.3-176.20000119.5
299V42.2Very low40.1Very low132 Ų132143.2 Ų143.280%0.878%0.784SS**  trans84.6137.4171.7-167.60000116.4
300V40.1Very low40.4Very low125 Ų125139.3 Ų139.376%0.75879%0.786SS**  -176149.7-50.4136.30000108.9
301A40Very low40.3Very low78 Ų78133.6 Ų133.665%0.64578%0.784SS**  trans50.2112.4162.500000118.9
302S38Very low40.4Very low116 Ų116135.5 Ų135.581%0.81179%0.793SS**  71124.983-57.40000115.8
303M42.3Very low40.6Very low185 Ų185137 Ų13791%0.91179%0.792SS**  -165.3155.9120.2-99.6-166.387.600110.7
304E35.9Very low41Very low177 Ų177132.9 Ų132.983%0.82779%0.787SS**  trans-91.4148.3-169.1-52.5158104.500113.2
305K45.3Very low41.1Very low203 Ų203133 Ų13388%0.88378%0.781SS**  -166.5132.7122.7-115.9167.7-178.5169.30115.1
306T40.6Very low41.8Very low131 Ų131132.2 Ų132.280%0.80478%0.782SS**  trans-125.1-175.1163.255.30000108
307P47.7Very low42.3Very low123 Ų123133.1 Ų133.180%0.79978%0.783SS**  -122.2174.4-68.637.2-24.7000111.7
308S39.9Very low42.7Very low129 Ų129133.7 Ų133.790%0.90278%0.781SS**  trans-152.4152.1161.2-170.20000110.7
309A41.4Very low43.2Very low99 Ų99135.6 Ų135.682%0.81877%0.774SS**  trans-114.4127.5-164.300000114.1
310A43.2Very low43.6Very low106 Ų106137.6 Ų137.688%0.87677%0.772SS**  trans-160.9152.4156.400000108
311G38.7Very low43.9Very low61 Ų61134.9 Ų134.963%0.62976%0.763SS**  cis155.594.5-3.400000111.9
312Y43Very low44Very low241 Ų241139.4 Ų139.495%0.94577%0.768SS**  trans79.8151.5165-57.3-80.4000121.5
313D40.9Very low44.4Very low140 Ų140142.6 Ų142.675%0.74976%0.763SS**  trans6988.6155.1-152.812.7000121.8
314C41.8Very low44.5Very low113 Ų113142.8 Ų142.876%0.76475%0.753SS**  trans-138.3-5.2158.3-81.60000114.5L316C314-L316 PolarHBondContact O-N 3.15Å
315D47.3Very low44.8Very low102 Ų102138 Ų13855%0.54574%0.739SS.*Hα-helixtrans-76.8-20.9-159.1-170.648.9000115.1K317D315-K317 PolarHBondContact O-N 2.92Å
316L52.3Low44.6Very low137 Ų137131.3 Ų131.372%0.71772%0.722SS**Hα-helixtrans-78.6-17.1-173.9-11770.9000115.4C314C314-L316 PolarHBondContact O-N 3.15Å
317K50.4Low44.8Very low186 Ų186130.6 Ų130.681%0.80971%0.709SS**Hα-helixtrans-88.4-39.4-178.5-74.5177179.6169.70113D315 R319 K320D315-K317 PolarHBondContact O-N 2.92Å; K317-R319 VanDerWaalsContact C-N 3.34Å; K317-R319 PolarHBondContact O-N 2.88Å; K317-K320 PolarHBondContact O-N 3.45Å
318C47.9Very low44.5Very low90 Ų90130 Ų13061%0.60870%0.699SS**Hα-helixtrans-62.3-37.9179.9-70.30000113.1K320 A321 F322C318-K320 PolarHBondContact O-N 3.11Å; C318-K320 VanDerWaalsContact O-N 3.12Å; C318-A321 PolarHBondContact O-N 3.34Å; C318-A321 VanDerWaalsContact O-N 3.16Å; C318-F322 PolarHBondContact O-N 3.49Å; C318-F322 VanDerWaalsContact O-N 3.15Å
319R47.8Very low44.5Very low173 Ų173130 Ų13065%0.65369%0.688SS**Hα-helixtrans-65.2-15-177.1-65.8179.471.9-177.92.9114.9K317K317-R319 VanDerWaalsContact C-N 3.34Å; K317-R319 PolarHBondContact O-N 2.88Å
320K51.6Low44.5Very low174 Ų174129.6 Ų129.676%0.75768%0.68SS**Hα-helixtrans-92-33.2171.9-78.2-173.8176.7178.60113.5K317 C318K317-K320 PolarHBondContact O-N 3.45Å; C318-K320 PolarHBondContact O-N 3.11Å; C318-K320 VanDerWaalsContact O-N 3.12Å
321A46.7Very low44.4Very low69 Ų69131.2 Ų131.257%0.5767%0.674SS**Hα-helixtrans-65.5-41173.800000111.5C318 R323 R324C318-A321 PolarHBondContact O-N 3.34Å; C318-A321 VanDerWaalsContact O-N 3.16Å; A321-R323 VanDerWaalsContact C-N 3.29Å; A321-R323 PolarHBondContact O-N 3.48Å; A321-R324 PolarHBondContact O-N 3.07Å
322F41.6Very low44.3Very low172 Ų172132.7 Ų132.775%0.75467%0.673SS**Hα-helixtrans-67.5-21.4-175.4-150.3-92000114.6C318C318-F322 PolarHBondContact O-N 3.49Å; C318-F322 VanDerWaalsContact O-N 3.15Å
323R46.1Very low43.9Very low184 Ų184131 Ų13169%0.69467%0.671SS**Hα-helixtrans-72.4-45175.5-73-162.4-173.7-163.63.4113A321 S325 A326 E327A321-R323 VanDerWaalsContact C-N 3.29Å; A321-R323 PolarHBondContact O-N 3.48Å; R323-S325 VanDerWaalsContact C-N 3.34Å; R323-S325 PolarHBondContact O-N 2.94Å; R323-A326 WeakPolarHBondContact O-CB 3.43Å; R323-A326 PolarHBondContact O-N 3.43Å; R323-E327 PolarHBondContact O-N 3.25Å
324R44Very low43.8Very low189 Ų189128 Ų12871%0.71367%0.666SS**Hα-helixtrans-61.3-43-178-72.6-179170.7169.9-4.9111.8A321 A326 E327 D328A321-R324 PolarHBondContact O-N 3.07Å; R324-A326 PolarHBondContact O-N 2.83Å; R324-E327 PolarHBondContact O-N 2.89Å; R324-D328 PolarHBondContact O-N 3.15Å; R324-D328 VanDerWaalsContact O-N 3.13Å
325S42.9Very low43.5Very low76 Ų76127.9 Ų127.953%0.53166%0.662SS.*Hα-helixtrans-64.5-19174.9-169.60000114R323 L329R323-S325 VanDerWaalsContact C-N 3.34Å; R323-S325 PolarHBondContact O-N 2.94Å; S325-L329 WeakPolarHBondContact O-CD1 3.35Å
326A41.8Very low43.5Very low63 Ų63129.7 Ų129.752%0.52167%0.665SS.*Hα-helixtrans-84.2-27.9172.200000112.8R323 R324R323-A326 WeakPolarHBondContact O-CB 3.43Å; R323-A326 PolarHBondContact O-N 3.43Å; R324-A326 PolarHBondContact O-N 2.83Å
327E44.5Very low43Very low115 Ų115129.9 Ų129.954%0.53767%0.667SS.*Hα-helixtrans-74.4-39.2176.9-70.9155.5-178.500110.8R323 R324 L329 S330R323-E327 PolarHBondContact O-N 3.25Å; R324-E327 PolarHBondContact O-N 2.89Å; E327-L329 VanDerWaalsContact C-N 3.3Å; E327-L329 PolarHBondContact O-N 3.4Å; E327-S330 WeakPolarHBondContact O-CB 3.39Å; E327-S330 PolarHBondContact O-N 2.95Å; E327-S330 PolarHBondContact O-OG 2.91Å
328D39.9Very low43.1Very low111 Ų111124.5 Ų124.559%0.59465%0.646SS**Hα-helixtrans-62.5-31.7176.3-69.5-41000113.5R324 S330R324-D328 PolarHBondContact O-N 3.15Å; R324-D328 VanDerWaalsContact O-N 3.13Å; D328-S330 PolarHBondContact O-N 3.4Å
329L41.4Very low43.3Very low128 Ų128124.3 Ų124.367%0.6765%0.645SS**Hα-helixtrans-70.1-16.3174.6-98.777.3000113.5S325 E327S325-L329 WeakPolarHBondContact O-CD1 3.35Å; E327-L329 VanDerWaalsContact C-N 3.3Å; E327-L329 PolarHBondContact O-N 3.4Å
330S40.1Very low43.9Very low92 Ų92120.5 Ų120.564%0.64365%0.645SS**Hα-helixtrans-73.9-25.9-179.272.80000113.6E327 D328E327-S330 WeakPolarHBondContact O-CB 3.39Å; E327-S330 PolarHBondContact O-N 2.95Å; E327-S330 PolarHBondContact O-OG 2.91Å; D328-S330 PolarHBondContact O-N 3.4Å
331N41.1Very low44.7Very low140 Ų140114.7 Ų114.775%0.74963%0.634SS**Hα-helixtrans-84.8-18.2178.5-74.9-39.7000113.2K333N331-K333 PolarHBondContact O-N 3.49Å
332C37.6Very low45.7Very low91 Ų91115.6 Ų115.662%0.61563%0.627SS**  trans-83.798.9177.9-710000111A334C332-A334 PolarHBondContact O-N 3.19Å
333K33.5Very low47Very low205 Ų205109.4 Ų109.489%0.89160%0.603SS**  trans-67.664.8172.5-74.3-179.7175.8172.40112.8N331 T335N331-K333 PolarHBondContact O-N 3.49Å; K333-T335 PolarHBondContact O-N 3.42Å; K333-T335 VanDerWaalsContact O-N 3.11Å
334A40Very low48.1Very low79 Ų79105.9 Ų105.965%0.65360%0.595SS**  trans-73.997.2172.800000110.1C332 F336C332-A334 PolarHBondContact O-N 3.19Å; A334-F336 PolarHBondContact O-N 3.32Å
335T35.6Very low49.4Very low109 Ų109105.4 Ų105.467%0.66959%0.594SS**  trans-67.290.117749.40000110.9K333 N337K333-T335 PolarHBondContact O-N 3.42Å; K333-T335 VanDerWaalsContact O-N 3.11Å; T335-N337 PolarHBondContact O-N 3.4Å
336F46.6Very low50.7Low140 Ų140103.4 Ų103.461%0.61458%0.582SS**  trans-80.8109.8-179-129.8-87.7000110.9A334 I338A334-F336 PolarHBondContact O-N 3.32Å; F336-I338 VanDerWaalsContact C-N 3.26Å; F336-I338 HydrophobicContact CB-CG1 4.44Å; F336-I338 HydrophobicContact CD1-CG1 4.29Å; F336-I338 PolarHBondContact O-N 2.87Å
337N41.8Very low52.2Low142 Ų142104.1 Ų104.176%0.75958%0.577SS**  trans-71.679.8172.7-79.8-20.5000110.6T335 C339T335-N337 PolarHBondContact O-N 3.4Å; N337-C339 PolarHBondContact O-N 3.16Å
338I52.1Low53.8Low72 Ų72107.2 Ų107.237%0.36958%0.583SS.*  trans-73.194.8171-56.1178.3000107.9F336 Q342 V343F336-I338 VanDerWaalsContact C-N 3.26Å; F336-I338 HydrophobicContact CB-CG1 4.44Å; F336-I338 HydrophobicContact CD1-CG1 4.29Å; F336-I338 PolarHBondContact O-N 2.87Å; I338-Q342 HydrophobicContact CG2-CB 3.84Å; I338-V343 HydrophobicContact CG2-CG2 3.72Å
339C53.6Low55.4Low86 Ų86105.5 Ų105.558%0.58157%0.573SS**  trans-55.4142.4176.9-64.20000111.2N337 G341 Q342N337-C339 PolarHBondContact O-N 3.16Å; C339-G341 PolarHBondContact O-N 3.24Å; C339-Q342 WeakPolarHBondContact O-CB 3.48Å; C339-Q342 PolarHBondContact O-N 2.92Å
340S60.5Low56.9Low93 Ų93104.3 Ų104.365%0.6556%0.561SS**Hα-helixtrans-46.3-40.1-175.6-179.70000114.1Q342 V343 M344S340-Q342 VanDerWaalsContact C-N 3.28Å; S340-Q342 PolarHBondContact O-N 3.21Å; S340-V343 PolarHBondContact O-N 3.4Å; S340-V343 VanDerWaalsContact O-N 3.15Å; S340-M344 WeakPolarHBondContact O-CG 3.43Å; S340-M344 PolarHBondContact O-N 3.42Å
341G66.6Low58.4Low52 Ų52106.1 Ų106.154%0.53656%0.559SS.*Hα-helixtrans-60.6-27.4176.700000115.5C339 R345C339-G341 PolarHBondContact O-N 3.24Å; G341-R345 WeakPolarHBondContact O-CB 3.44Å; G341-R345 PolarHBondContact O-N 3.32Å
342Q69Low59.8Low89 Ų89102.6 Ų102.642%0.41655%0.545SS..Hα-helixtrans-73-42.3174-67.3-177.9-10.900111.3I338 C339 S340 R345 A346I338-Q342 HydrophobicContact CG2-CB 3.84Å; C339-Q342 WeakPolarHBondContact O-CB 3.48Å; C339-Q342 PolarHBondContact O-N 2.92Å; S340-Q342 VanDerWaalsContact C-N 3.28Å; S340-Q342 PolarHBondContact O-N 3.21Å; Q342-R345 PolarHBondContact O-N 3.47Å; Q342-A346 PolarHBondContact O-N 2.94Å
343V69.2Low61.2Low42 Ų42103.3 Ų103.326%0.25554%0.54SS..Hα-helixtrans-61.3-46.3174-175.70000110.3L209 I338 S340 R345 A346 L347L209-V343 HydrophobicContact CD1-CG1 3.86Å; I338-V343 HydrophobicContact CG2-CG2 3.72Å; S340-V343 PolarHBondContact O-N 3.4Å; S340-V343 VanDerWaalsContact O-N 3.15Å; V343-R345 VanDerWaalsContact C-N 3.3Å; V343-R345 PolarHBondContact O-N 2.79Å; V343-A346 PolarHBondContact O-N 3.12Å; V343-L347 HydrophobicContact CG1-CD1 4.1Å; V343-L347 HydrophobicContact CG1-CG 4.47Å; V343-L347 WeakPolarHBondContact O-CG 3.3Å; V343-L347 PolarHBondContact O-N 2.74Å
344M68Low62.6Low109 Ų10998.3 Ų98.354%0.53752%0.522SS..Hα-helixtrans-63.7-32.3177.1-67.1-59.8-65.100113S340 L347 R348S340-M344 WeakPolarHBondContact O-CG 3.43Å; S340-M344 PolarHBondContact O-N 3.42Å; M344-L347 HydrophobicContact SD-CD1 4.46Å; M344-R348 WeakPolarHBondContact O-CB 3.36Å; M344-R348 PolarHBondContact O-N 3.44Å
345R71.6Confident63.4Low179 Ų17997.7 Ų97.768%0.67551%0.513SS*.Hα-helixtrans-69.2-44.4173.3-171.2-179.2-68.2-167.6-3111.3G341 Q342 V343 R348 I349G341-R345 WeakPolarHBondContact O-CB 3.44Å; G341-R345 PolarHBondContact O-N 3.32Å; Q342-R345 PolarHBondContact O-N 3.47Å; V343-R345 VanDerWaalsContact C-N 3.3Å; V343-R345 PolarHBondContact O-N 2.79Å; R345-R348 PolarHBondContact O-N 3.13Å; R345-I349 HydrophobicContact CG-CD1 4.32Å; R345-I349 WeakPolarHBondContact O-CG1 3.48Å; R345-I349 PolarHBondContact O-N 2.9Å; R345-I349 VanDerWaalsContact O-N 3.12Å
346A71.3Confident64.5Low34 Ų34100.6 Ų100.628%0.28151%0.512SS..Hα-helixtrans-63.8-43.8177.900000112.5Q342 V343 R348 I349 Y350Q342-A346 PolarHBondContact O-N 2.94Å; V343-A346 PolarHBondContact O-N 3.12Å; A346-R348 PolarHBondContact O-N 3.25Å; A346-I349 PolarHBondContact O-N 3.47Å; A346-Y350 PolarHBondContact O-N 3.34Å
347L72.8Confident65Low79 Ų79100.6 Ų100.641%0.41451%0.514SS..Hα-helixtrans-60.4-45.1175.6-72.4171.4000111.9V343 M344 I349 Y350 E351V343-L347 HydrophobicContact CG1-CD1 4.1Å; V343-L347 HydrophobicContact CG1-CG 4.47Å; V343-L347 WeakPolarHBondContact O-CG 3.3Å; V343-L347 PolarHBondContact O-N 2.74Å; M344-L347 HydrophobicContact SD-CD1 4.46Å; L347-I349 VanDerWaalsContact C-N 3.3Å; L347-I349 PolarHBondContact O-N 3.36Å; L347-Y350 WeakPolarHBondContact O-CB 3.41Å; L347-Y350 PolarHBondContact O-N 3.3Å; L347-Y350 VanDerWaalsContact O-N 3.11Å; L347-E351 WeakPolarHBondContact O-CG 3.49Å; L347-E351 PolarHBondContact O-N 3.36Å
348R76.8Confident65.7Low180 Ų180102.4 Ų102.468%0.67952%0.515SS*.Hα-helixtrans-61.7-36.9177.5-171.3-177.3-62.7178.7-0.7112.7M344 R345 A346 S352M344-R348 WeakPolarHBondContact O-CB 3.36Å; M344-R348 PolarHBondContact O-N 3.44Å; R345-R348 PolarHBondContact O-N 3.13Å; A346-R348 PolarHBondContact O-N 3.25Å; R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 3.38Å; R348-S352 VanDerWaalsContact O-N 3.09Å; R348-S352 PolarHBondContact O-OG 2.83Å
349I75.6Confident65.8Low75 Ų75106 Ų10639%0.38553%0.534SS..Hα-helixtrans-64-46.7173.7-68.1164.5000109.8R345 A346 L347 E351 S352 Q353R345-I349 HydrophobicContact CG-CD1 4.32Å; R345-I349 WeakPolarHBondContact O-CG1 3.48Å; R345-I349 PolarHBondContact O-N 2.9Å; R345-I349 VanDerWaalsContact O-N 3.12Å; A346-I349 PolarHBondContact O-N 3.47Å; L347-I349 VanDerWaalsContact C-N 3.3Å; L347-I349 PolarHBondContact O-N 3.36Å; I349-E351 PolarHBondContact O-N 3.04Å; I349-S352 PolarHBondContact O-N 2.9Å; I349-S352 VanDerWaalsContact O-N 3.14Å; I349-S352 PolarHBondContact O-OG 2.92Å; I349-Q353 WeakPolarHBondContact O-CG 3.29Å; I349-Q353 PolarHBondContact O-N 3.04Å; I349-Q353 VanDerWaalsContact O-N 3.07Å
350Y71.6Confident65.8Low103 Ų103109.3 Ų109.340%0.40454%0.542SS..Hα-helixtrans-59.6-45.2178.4-167.6-83.7000112.7A346 L347 S352 Q353 L354A346-Y350 PolarHBondContact O-N 3.34Å; L347-Y350 WeakPolarHBondContact O-CB 3.41Å; L347-Y350 PolarHBondContact O-N 3.3Å; L347-Y350 VanDerWaalsContact O-N 3.11Å; Y350-S352 VanDerWaalsContact C-N 3.31Å; Y350-S352 PolarHBondContact O-N 3.01Å; Y350-Q353 PolarHBondContact O-N 3.06Å; Y350-L354 PolarHBondContact O-N 3Å
351E72.6Confident65.3Low130 Ų130109.1 Ų109.161%0.60755%0.547SS*.Hα-helixtrans-61.1-37.2174.7-69.7174.1155.400112.5L347 I349 S355L347-E351 WeakPolarHBondContact O-CG 3.49Å; L347-E351 PolarHBondContact O-N 3.36Å; I349-E351 PolarHBondContact O-N 3.04Å; E351-S355 PolarHBondContact O-N 3.15Å; E351-S355 PolarHBondContact O-OG 2.87Å
352S70.8Confident64.4Low65 Ų65110.4 Ų110.446%0.45555%0.552SS.*Hα-helixtrans-70.9-26.9177.374.80000114.1R348 I349 Y350 S355R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 3.38Å; R348-S352 VanDerWaalsContact O-N 3.09Å; R348-S352 PolarHBondContact O-OG 2.83Å; I349-S352 PolarHBondContact O-N 2.9Å; I349-S352 VanDerWaalsContact O-N 3.14Å; I349-S352 PolarHBondContact O-OG 2.92Å; Y350-S352 VanDerWaalsContact C-N 3.31Å; Y350-S352 PolarHBondContact O-N 3.01Å; S352-S355 WeakPolarHBondContact CA-OG 3.44Å; S352-S355 PolarHBondContact O-OG 3.41Å
353Q65Low63.4Low107 Ų107112.3 Ų112.350%0.557%0.572SS.*Hα-helixtrans-78.7-45.9173.5-63.9-72.435.300111.3I349 Y350 S355 R356 E357I349-Q353 WeakPolarHBondContact O-CG 3.29Å; I349-Q353 PolarHBondContact O-N 3.04Å; I349-Q353 VanDerWaalsContact O-N 3.07Å; Y350-Q353 PolarHBondContact O-N 3.06Å; Q353-S355 PolarHBondContact O-N 2.94Å; Q353-R356 WeakPolarHBondContact O-CA 3.31Å; Q353-R356 WeakPolarHBondContact O-CB 3.37Å; Q353-R356 PolarHBondContact O-N 2.84Å; Q353-E357 PolarHBondContact O-N 3.05Å
354L64.2Low62.2Low99 Ų99122 Ų12252%0.51860%0.604SS.*Hα-helixtrans-60.8-34.3-179.3-169.871000112.5Y350 K358Y350-L354 PolarHBondContact O-N 3Å; L354-K358 WeakPolarHBondContact O-CB 3.33Å; L354-K358 PolarHBondContact O-N 2.83Å
355S57.1Low61.5Low67 Ų67123.1 Ų123.147%0.46962%0.618SS.*Hα-helixtrans-73.9-26.8173.845.90000113.3E351 S352 Q353E351-S355 PolarHBondContact O-N 3.15Å; E351-S355 PolarHBondContact O-OG 2.87Å; S352-S355 WeakPolarHBondContact CA-OG 3.44Å; S352-S355 PolarHBondContact O-OG 3.41Å; Q353-S355 PolarHBondContact O-N 2.94Å
356R58Low60.2Low170 Ų170123.7 Ų123.764%0.64263%0.63SS**Hα-helixtrans-78.3-41.8176.9-163.1174.6-170.1168.94112.4Q353 K358 L359Q353-R356 WeakPolarHBondContact O-CA 3.31Å; Q353-R356 WeakPolarHBondContact O-CB 3.37Å; Q353-R356 PolarHBondContact O-N 2.84Å; R356-K358 VanDerWaalsContact C-N 3.32Å; R356-K358 PolarHBondContact O-N 3.3Å; R356-L359 PolarHBondContact O-N 3.35Å
357E56.5Low59.2Low140 Ų140126 Ų12665%0.65466%0.657SS**Hα-helixtrans-60.7-41.6173.8-70.5-173.8130.400111.6Q353 L359 M360Q353-E357 PolarHBondContact O-N 3.05Å; E357-L359 PolarHBondContact O-N 3.4Å; E357-L359 VanDerWaalsContact O-N 3.13Å; E357-M360 PolarHBondContact O-N 3.47Å
358K56.4Low58.1Low180 Ų180131.2 Ų131.278%0.78368%0.679SS**THydrogen-bonded Turntrans-67.6-12-178.6-158.6169.9-175.8179.60114.4L354 R356L354-K358 WeakPolarHBondContact O-CB 3.33Å; L354-K358 PolarHBondContact O-N 2.83Å; R356-K358 VanDerWaalsContact C-N 3.32Å; R356-K358 PolarHBondContact O-N 3.3Å
359L54.3Low56.6Low147 Ų147131.2 Ų131.277%0.7769%0.687SS**THydrogen-bonded Turntrans-99-9.5173.5-78.4167000113.9R356 E357R356-L359 PolarHBondContact O-N 3.35Å; E357-L359 PolarHBondContact O-N 3.4Å; E357-L359 VanDerWaalsContact O-N 3.13Å
360M54.5Low55.5Low155 Ų155132.9 Ų132.976%0.76471%0.705SS**SBendtrans-93.9-3.3179.4-72.3-70.3163.500113.7E357E357-M360 PolarHBondContact O-N 3.47Å
361A50.6Low54.2Low90 Ų90134 Ų13474%0.74473%0.725SS**  trans-107.760.8-176.300000112.8
362A46.9Very low53.1Low78 Ų78132.4 Ų132.465%0.64573%0.734SS**  trans-137.8127.4174.200000111.1
363P48.8Very low52.3Low129 Ų129139 Ų13984%0.83876%0.755SS**  trans-68138179.1-18.631.9000112.4
364R43.3Very low51.1Low245 Ų245140 Ų14093%0.92577%0.771SS**  trans-90.6118.7170.2-66.7-177179-173.1-0.9110.1
365T54Low50.1Low134 Ų134140.8 Ų140.882%0.82278%0.784SS**  trans-109.4126.1164.849.40000109.2
366M42.6Very low49.4Very low191 Ų191146.3 Ų146.394%0.94180%0.803SS**  trans-77.8148-178.8-61.4-75.9-76.600111.2
367G52Low48.6Very low81 Ų81144 Ų14484%0.83581%0.807SS**  trans-175122.3174.500000112.8
368E48.6Very low47.7Very low190 Ų190142.6 Ų142.689%0.88881%0.808SS**  trans-71.4172.8173.1-68.3163.9163.800111.7
369E45.1Very low47Very low179 Ų179141 Ų14184%0.83680%0.803SS**  cis-168.3165.2-29173.2172.2-148.500106.1
370S52.5Low46.1Very low111 Ų111142.1 Ų142.178%0.77680%0.804SS**  trans113.2130.2156.1-161.20000116.5
371P44.5Very low45.4Very low126 Ų126143.4 Ų143.482%0.81881%0.806SS**  trans-104.5140.2-170.837.9-33.2000115.1
372A50.1Low45.3Very low97 Ų97148.2 Ų148.280%0.80281%0.81SS**  trans-148.5103.717000000114.5
373K54.1Low45.2Very low203 Ų203149.2 Ų149.288%0.88381%0.809SS**  trans47.9131.6155.6-68.6178.8176.7175.50120.7
374P39.9Very low45Very low128 Ų128150 Ų15083%0.83181%0.806SS**PPolyproline II helixtrans-82.1131.9172.533.5-33000112.7
375S42.6Very low45Very low115 Ų115143.4 Ų143.480%0.80479%0.793SS**PPolyproline II helixtrans-101.1126.5164.2-80.20000110.4V377S375-V377 PolarHBondContact O-N 3.17Å
376Q41.6Very low44.6Very low184 Ų184144.6 Ų144.686%0.8679%0.787SS**PPolyproline II helixtrans-74.1119.3179.8-65.5176.8-9.200111
377V42.3Very low44.5Very low121 Ų121142.1 Ų142.173%0.73377%0.771SS**  trans-106.798.3168.9-179.90000109S375 Q379S375-V377 PolarHBondContact O-N 3.17Å; V377-Q379 HydrophobicContact CG1-CG 4.31Å; V377-Q379 PolarHBondContact O-N 2.96Å
378V36.3Very low43.9Very low111 Ų111145.5 Ų145.567%0.67376%0.759SS**  trans-71.797.1179.2179.80000110
379Q41.4Very low43.6Very low147 Ų147141.7 Ų141.769%0.68774%0.741SS**  trans-90.5106.6169.6-72.1-150.6-6.600111.5V377 K381V377-Q379 HydrophobicContact CG1-CG 4.31Å; V377-Q379 PolarHBondContact O-N 2.96Å; Q379-K381 VanDerWaalsContact C-N 3.31Å; Q379-K381 PolarHBondContact O-N 3.35Å
380H36Very low43.4Very low169 Ų169138.9 Ų138.978%0.78273%0.732SS**  trans-65.982172.5-76.7-85000112.5K382H380-K382 PolarHBondContact O-N 3.5Å
381K40.2Very low42.9Very low183 Ų183137.2 Ų137.280%0.79672%0.717SS**  trans-75.699.5166.6-69.7-177.2179.7176.80109.2Q379Q379-K381 VanDerWaalsContact C-N 3.31Å; Q379-K381 PolarHBondContact O-N 3.35Å
382K49.3Very low42.7Very low190 Ų190138.6 Ų138.683%0.82671%0.71SS**  trans-59.9136.8177-62.8174.6-177.5175.10109.8H380H380-K382 PolarHBondContact O-N 3.5Å
383P44.7Very low42.2Very low99 Ų99140.8 Ų140.864%0.64370%0.704SS**  trans-66.4143.3-178.427.3-34.6000111.5T385P383-T385 PolarHBondContact O-N 2.99Å
384L43Very low41.3Very low147 Ų147140.5 Ų140.577%0.7770%0.702SS**G310 helixtrans-74.618.3-175.1-154.672.5000113.8
385T43.6Very low41Very low105 Ų105139.7 Ų139.764%0.64470%0.7SS**G310 helixtrans-84.3-24.2-171.749.20000113.8P383P383-T385 PolarHBondContact O-N 2.99Å
386K45.4Very low40.4Very low160 Ų160140 Ų14070%0.69670%0.701SS**G310 helixtrans-91.16.6-179.6-68.3-160.2170-164.30115.7
387F41.6Very low40.2Very low138 Ų138135.7 Ų135.761%0.60570%0.698SS**SBendtrans-81.9-48.8177.7-172.4-105.9000112E389 N390 V391F387-E389 PolarHBondContact O-N 3.49Å; F387-N390 PolarHBondContact O-N 3.42Å; F387-V391 HydrophobicContact CE1-CG2 4.46Å
388W38.9Very low40.1Very low153 Ų153138.2 Ų138.258%0.5870%0.701SS**THydrogen-bonded Turntrans-70.6-27.1-175-74.9105.6000114.7N390 V391 F392W388-N390 PolarHBondContact O-N 3.42Å; W388-V391 HydrophobicContact CE3-CB 4.1Å; W388-V391 HydrophobicContact CE3-CG1 4.12Å; W388-V391 HydrophobicContact CE3-CG2 4.34Å; W388-V391 HydrophobicContact CZ3-CG1 4.08Å; W388-V391 PolarHBondContact O-N 3.27Å; W388-F392 HydrophobicContact CE3-CD2 4.31Å; W388-F392 AromaticContact CE3-CE2 3.84Å; W388-F392 HydrophobicContact CE3-CE2 3.84Å; W388-F392 HydrophobicContact CZ3-CE2 4.03Å; W388-F392 PolarHBondContact O-N 3.34Å
389E41.3Very low39.9Very low110 Ų110138.3 Ų138.351%0.51471%0.705SS.*Hα-helixtrans-57.9-35.5178.7-160.3164.7-142.800112F387 Q393F387-E389 PolarHBondContact O-N 3.49Å; E389-Q393 WeakPolarHBondContact O-CG 3.37Å
390N42Very low39.7Very low120 Ų120138.9 Ų138.964%0.64271%0.711SS**Hα-helixtrans-84.4-10.6176.2-78.4-61.4000114.6F387 W388F387-N390 PolarHBondContact O-N 3.42Å; W388-N390 PolarHBondContact O-N 3.42Å
391V42.6Very low39.8Very low76 Ų76137.4 Ų137.446%0.46171%0.714SS.*Hα-helixtrans-85.7-31.8-178176.40000111.5F387 W388F387-V391 HydrophobicContact CE1-CG2 4.46Å; W388-V391 HydrophobicContact CE3-CB 4.1Å; W388-V391 HydrophobicContact CE3-CG1 4.12Å; W388-V391 HydrophobicContact CE3-CG2 4.34Å; W388-V391 HydrophobicContact CZ3-CG1 4.08Å; W388-V391 PolarHBondContact O-N 3.27Å
392F38.5Very low39.6Very low155 Ų155136.1 Ų136.168%0.6872%0.715SS**Hα-helixtrans-99.8-6.6-177.5-77.9-80000115.4W388 K394W388-F392 HydrophobicContact CE3-CD2 4.31Å; W388-F392 AromaticContact CE3-CE2 3.84Å; W388-F392 HydrophobicContact CE3-CE2 3.84Å; W388-F392 HydrophobicContact CZ3-CE2 4.03Å; W388-F392 PolarHBondContact O-N 3.34Å; F392-K394 VanDerWaalsContact C-N 3.35Å; F392-K394 PolarHBondContact O-N 3.22Å
393Q41.2Very low39.1Very low143 Ų143134.7 Ų134.767%0.66872%0.716SS**SBendtrans-87.513-179.3-74.1-175.1-1.200115.3E389E389-Q393 WeakPolarHBondContact O-CG 3.37Å
394K35.5Very low38.9Very low197 Ų197137.6 Ų137.686%0.85773%0.725SS**SBendtrans-114.936.8-178.4-82.1-173.8172.9178.90115.3F392F392-K394 VanDerWaalsContact C-N 3.35Å; F392-K394 PolarHBondContact O-N 3.22Å
395S31.7Very low38.9Very low111 Ų111135.3 Ų135.378%0.77672%0.72SS**  trans-151.463.9168.5640000113
396S31.8Very low38.8Very low120 Ų120137.3 Ų137.384%0.83973%0.726SS**  trans-133.1110.6169.3-1690000109.9
397A37.5Very low38.6Very low95 Ų95135.7 Ų135.779%0.78573%0.729SS**PPolyproline II helixtrans-83156.4172.800000110.4
398Q39Very low38.5Very low173 Ų173134.5 Ų134.581%0.80874%0.738SS**PPolyproline II helixtrans-65.8137.7-168.7-62.4175.4-9.300113.7
399P33.1Very low38.6Very low114 Ų114131.5 Ų131.574%0.7474%0.74SS**PPolyproline II helixtrans-88.7117.9155.832.9-27.2000110
400L36.6Very low38.6Very low158 Ų158132.6 Ų132.683%0.82775%0.75SS**PPolyproline II helixtrans-92.2121.9164.6-81.5173.3000109.5
401T37.8Very low38.7Very low138 Ų138135.1 Ų135.185%0.84776%0.758SS**PPolyproline II helixtrans-84.8144.3-176.4-55.40000111.9
402L36.1Very low38.6Very low156 Ų156139.1 Ų139.182%0.81778%0.775SS**PPolyproline II helixtrans-71.4146.2-175.4-63.5160.3000114.1
403L39.2Very low38.6Very low161 Ų161137.4 Ų137.484%0.84378%0.78SS**  trans-144.284.8150.3-83.2-174.9000113
404L40.8Very low38.5Very low159 Ų159138.4 Ų138.483%0.83279%0.789SS**  trans65.7164139.5-68.7166.1000120
405P42.9Very low38.8Very low100 Ų100134 Ų13465%0.64978%0.781SS**  trans-127.6177.9-14544.7-33.1000116.3
406N40.8Very low39.2Very low146 Ų146140.6 Ų140.678%0.78179%0.789SS**  -172.2129.5127-98.1-24.3000116.1
407V40.9Very low39.4Very low126 Ų126141 Ų14176%0.76479%0.786SS**  trans62.3123.6131.7179.50000122.5
408S40.9Very low39.5Very low114 Ų114143.6 Ų143.680%0.79779%0.792SS**  trans74.8142.7148.8-171.50000120.5
409S41.5Very low39.6Very low89 Ų89140.8 Ų140.862%0.62279%0.787SS**  cis-168.2162.6-29.7-160.30000111.6
410N40.2Very low39.7Very low134 Ų134141.8 Ų141.872%0.71779%0.791SS**  trans84.8146.7157.5-51.5-26.1000121.1
411H44.7Very low39.7Very low173 Ų173143 Ų14380%0.80179%0.789SS**  trans71.580.1164.4-69-71.2000122.5
412L39.4Very low39.7Very low159 Ų159148.6 Ų148.683%0.83280%0.795SS**  7.4157114.2-66.6168.1000120.2
413P39.5Very low39.9Very low120 Ų120148 Ų14878%0.77979%0.788SS**  cis-137.5177.7-7.136.1-15000117.1
414L39.2Very low39.7Very low163 Ų163146.6 Ų146.685%0.85379%0.79SS**  trans-86.5-174.8168.7-81.8163.8000112.4
415P41.9Very low39.5Very low106 Ų106145.3 Ų145.369%0.68878%0.784SS**  cis-133.4-177-34.834.8-17.8000113.1
416R40.3Very low39.2Very low248 Ų248149 Ų14994%0.93680%0.798SS**  trans-167.8157.5134.7-107.7157.3-171.5170.13.5115.3
417T36Very low39Very low128 Ų128150.7 Ų150.779%0.78580%0.801SS**  trans-84.9143.8-169.248.10000115.4
418V39.6Very low38.8Very low150 Ų150150 Ų15091%0.90980%0.801SS**  trans-141.2154.9154.7-174.10000109.5
419T41.3Very low38.5Very low115 Ų115151.2 Ų151.271%0.70680%0.804SS**  trans-117.7142.7-159.352.30000115.8
420T34.2Very low38.3Very low135 Ų135154.2 Ų154.283%0.82881%0.812SS**  trans38116.1143.260.90000120.9
421K36.2Very low38.4Very low182 Ų182154.8 Ų154.879%0.79181%0.811SS**  trans-161.1117.4136.7-161.5174.4-175.5179.80112.6
422W38.5Very low38.2Very low256 Ų256152.5 Ų152.597%0.9780%0.804SS**  trans-142.9139.8157.7-82.3100.7000108.7
423H39.6Very low38.3Very low145 Ų145152 Ų15267%0.67180%0.803SS**  trans-107.3149.9-176.2-140.2-110.5000109.5D425H423-D425 IonicContact CE1-OD1 3.55Å; H423-D425 IonicContact ND1-OD1 3.65Å; H423-D425 PolarHBondContact ND1-OD1 2.95Å
424C35.3Very low38.5Very low131 Ų131152 Ų15289%0.88580%0.8SS**  trans-119.3106.8172.9-66.60000109.3
425D36.8Very low38.6Very low132 Ų132149 Ų14971%0.70679%0.792SS**  trans-100.6120.1171.8-56.6-27.4000108.7H423H423-D425 IonicContact CE1-OD1 3.55Å; H423-D425 IonicContact ND1-OD1 3.65Å; H423-D425 PolarHBondContact ND1-OD1 2.95Å
426L36Very low38.6Very low178 Ų178150.3 Ų150.393%0.93280%0.799SS**  trans-172.9106.8157-110.2163.8000109
427Q37.9Very low38.7Very low180 Ų180145 Ų14584%0.84179%0.788SS**  trans-137.2128.4170.3-122.8-174.9-700110.8
428S36.4Very low39.1Very low111 Ų111147.8 Ų147.878%0.77679%0.793SS**  trans51.699.4148.3-52.30000119.7
429T34.2Very low39.1Very low140 Ų140144.1 Ų144.186%0.85979%0.785SS**  trans-138.8116.7150.642.90000110.8
430L37Very low39.3Very low152 Ų152148.2 Ų148.280%0.79679%0.788SS**  trans174.6148.1147.3-102.4166.9000110.8
431H42.6Very low39.8Very low147 Ų147151.8 Ų151.868%0.68179%0.786SS**  trans64.5136.4179.6-57.2-75.9000116.3
432D39.9Very low40.1Very low125 Ų125146 Ų14667%0.66878%0.779SS**  cis-157.8173.1-12.3-108.4-17.2000110.1
433D41.5Very low40.6Very low148 Ų148142.7 Ų142.779%0.79178%0.776SS**  trans62.4146.5165.7-64.5-33.3000118.9
434V44.3Very low41Very low119 Ų119140.9 Ų140.972%0.72178%0.779SS**  cis158.4141-22.4142.10000105
435S42.1Very low41.6Very low100 Ų100139.1 Ų139.170%0.69977%0.769SS**  trans78.7109.4172.3-61.70000120
436T41.9Very low42.2Very low135 Ų135140.6 Ų140.683%0.82878%0.776SS**  53.2135.2107.1-48.10000119.8
437L40.8Very low42.9Very low136 Ų136136.7 Ų136.771%0.71276%0.763SS**  cis-178.8147.3-14.8175123.2000106.9
438E45Very low43.7Very low187 Ų187132.6 Ų132.687%0.87476%0.755SS**  trans60.9170.7173.7-74.4-177.8-174.500117.7
439G39.6Very low44.7Very low73 Ų73133.1 Ų133.175%0.75376%0.758SS**  trans-177.8-68.2-178.100000117.1
440R45.4Very low45.8Very low200 Ų200129.4 Ų129.476%0.75575%0.748SS**  trans65.9123.2165.4-172.1-176.5-168.4-172.28119.3
441R44.4Very low46.9Very low210 Ų210129 Ų12979%0.79275%0.752SS**  trans73.3150.3170.4-68.5170-70.8-1492.5115.8
442G42.8Very low47.7Very low62 Ų62130.8 Ų130.864%0.63976%0.758SS**  cis164.4-174.2-400000112.4
443M48.6Very low48.7Very low186 Ų186130.6 Ų130.692%0.91676%0.76SS**  trans70.7147.4178.2-471656300112.6
444S48.4Very low49.5Very low106 Ų106132.8 Ų132.874%0.74176%0.763SS**  cis-151.9174.116.5-54.50000108.1
445S48.8Very low50.5Low94 Ų94135.7 Ų135.766%0.65779%0.789SS**  cis-179.1145.9-15.644.60000109.6
446L49.5Very low50.9Low163 Ų163137.5 Ų137.585%0.85379%0.793SS**  trans68.1154.5166-54.9160.6000115
447S50.7Low51.4Low96 Ų96137.6 Ų137.667%0.67179%0.791SS**  cis-165.9174.2-6.4-115.70000107.9
448S53.6Low52Low95 Ų95137.7 Ų137.766%0.66480%0.796SS**  cis-164.9168.7-5-107.90000109.4
449S56.9Low52.4Low121 Ų121134.8 Ų134.885%0.84679%0.791SS**  trans43.6131.3155.958.20000121.7
450G58.4Low53.2Low62 Ų62138.7 Ų138.764%0.63979%0.794SS**  cis152.9162-6.900000114.5
451T59.9Low53.7Low144 Ų144134.6 Ų134.688%0.88380%0.796SS**  trans69152.5168.775.60000117.2
452K60.3Low54.4Low185 Ų185129.2 Ų129.280%0.80480%0.796SS**  cis-154.4153.5-0.3-143178.2177.6179.60111.5
453V61Low55.3Low120 Ų120134.4 Ų134.473%0.72781%0.809SS**  trans30117.5149.5168.10000118.7
454K56.9Low55.9Low195 Ų195130.1 Ų130.185%0.84880%0.8SS**  cis84.6108.745.7-172.3-171.5179.5-177.20114.8
455S66.2Low56.6Low180 Ų180132.3 Ų132.3100%1.25981%0.805SS**  trans-132.30135.9-175.20000108.6

Retrieved 455 of 455 residues in 108.5 ms (Link to these results)