A0A5K4F9B8_SCHMA Loading...

Na_Ca_ex domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F9B8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 252 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44Very low51.8Low214 Ų214135.4 Ų135.4100%1.05465%0.651SS**  0-27.80-131.7173.3-173.400114.5T4M1-T4 PolarHBondContact O-OG1 3.33Å; M1-T4 VanDerWaalsContact O-OG1 3.12Å
2L45.6Very low52.7Low144 Ų144131.4 Ų131.475%0.75464%0.635SS**Hα-helixtrans-68.2-31.9176.7-98.1138.8000114.6K5 N6L2-K5 PolarHBondContact O-N 3.2Å; L2-N6 PolarHBondContact O-N 3.18Å
3F39.9Very low53.8Low188 Ų188126.5 Ų126.583%0.82561%0.613SS**Hα-helixtrans-74.2-36.2-176-131.2-94.2000113.5L7F3-L7 PolarHBondContact O-N 3.18Å
4T48.7Very low54.8Low102 Ų102127.6 Ų127.663%0.62661%0.614SS**Hα-helixtrans-69.4-34.4172.842.30000111.8M1 S8M1-T4 PolarHBondContact O-OG1 3.33Å; M1-T4 VanDerWaalsContact O-OG1 3.12Å; T4-S8 PolarHBondContact O-N 3.1Å; T4-S8 VanDerWaalsContact O-N 3.14Å
5K53.2Low55.7Low143 Ų143126.1 Ų126.162%0.62261%0.61SS**Hα-helixtrans-65.7-40.9177-153172.4-177.41770112L2 R9L2-K5 PolarHBondContact O-N 3.2Å; K5-R9 WeakPolarHBondContact O-CB 3.34Å; K5-R9 WeakPolarHBondContact O-CG 3.18Å; K5-R9 PolarHBondContact O-N 2.91Å
6N54.5Low56.2Low95 Ų95119.3 Ų119.351%0.50858%0.583SS.*Hα-helixtrans-70.5-36.5178.3-102.1-12.8000113.9L2 R9 R10L2-N6 PolarHBondContact O-N 3.18Å; N6-R9 PolarHBondContact O-N 3Å; N6-R10 PolarHBondContact O-N 3.36Å; N6-R10 VanDerWaalsContact O-N 3.15Å
7L47.8Very low56.9Low114 Ų114118.4 Ų118.460%0.59758%0.581SS**Hα-helixtrans-71.4-37.2178.9-165.867.5000111.7F3 K11F3-L7 PolarHBondContact O-N 3.18Å; L7-K11 WeakPolarHBondContact O-CG 3.31Å; L7-K11 PolarHBondContact O-N 3.43Å
8S54.7Low57.5Low77 Ų77120.4 Ų120.454%0.53858%0.582SS.*Hα-helixtrans-67.7-39.7173.2-162.20000111.9T4 K11 L12T4-S8 PolarHBondContact O-N 3.1Å; T4-S8 VanDerWaalsContact O-N 3.14Å; S8-K11 PolarHBondContact O-N 3.41Å; S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 PolarHBondContact O-N 3.42Å
9R60.1Low58Low85 Ų85118.8 Ų118.832%0.32157%0.572SS.*Hα-helixtrans-61-46.3177.2-90.1-178.8153.4-174.7-2.5113.6K5 N6 K11 L12 L13 D127K5-R9 WeakPolarHBondContact O-CB 3.34Å; K5-R9 WeakPolarHBondContact O-CG 3.18Å; K5-R9 PolarHBondContact O-N 2.91Å; N6-R9 PolarHBondContact O-N 3Å; R9-K11 VanDerWaalsContact C-N 3.34Å; R9-L12 PolarHBondContact O-N 2.92Å; R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.3Å; R9-D127 IonicContact CZ-OD1 3.93Å; R9-D127 IonicContact NE-OD1 3.1Å; R9-D127 PolarHBondContact NE-OD1 2.99Å; R9-D127 IonicContact NE-OD2 2.65Å; R9-D127 IonicContact NH2-OD1 3.81Å; R9-D127 PolarHBondContact NH2-OD1 3.43Å
10R59.7Low58.4Low178 Ų178114.4 Ų114.467%0.67255%0.553SS**Hα-helixtrans-60.9-47.2174.4-75-174177.7-176-0.3110.2N6 L12 L13 F14N6-R10 PolarHBondContact O-N 3.36Å; N6-R10 VanDerWaalsContact O-N 3.15Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.01Å; R10-L13 PolarHBondContact O-N 3.01Å; R10-F14 HydrophobicContact CB-CD2 4.16Å; R10-F14 HydrophobicContact CB-CE2 4.22Å; R10-F14 VanDerWaalsContact O-CB 3.31Å; R10-F14 WeakPolarHBondContact O-CB 3.28Å; R10-F14 WeakPolarHBondContact O-CD2 3.44Å; R10-F14 WeakPolarHBondContact O-CG 3.43Å; R10-F14 PolarHBondContact O-N 2.9Å
11K61.4Low58.9Low149 Ų149115.5 Ų115.565%0.64856%0.555SS**Hα-helixtrans-61-37.3178.3-74.7-172.1177.2-172.10112.7L7 S8 R9 L15L7-K11 WeakPolarHBondContact O-CG 3.31Å; L7-K11 PolarHBondContact O-N 3.43Å; S8-K11 PolarHBondContact O-N 3.41Å; R9-K11 VanDerWaalsContact C-N 3.34Å; K11-L15 WeakPolarHBondContact O-CA 3.16Å; K11-L15 WeakPolarHBondContact O-CB 3.5Å; K11-L15 PolarHBondContact O-N 3.11Å
12L63.2Low60.1Low88 Ų88108.6 Ų108.646%0.46152%0.522SS..Hα-helixtrans-72.7-41.3179.7-163.369.2000112.1S8 R9 R10 L15 G16 L123S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 PolarHBondContact O-N 3.42Å; R9-L12 PolarHBondContact O-N 2.92Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 2.91Å; L12-G16 PolarHBondContact O-N 3.46Å; L12-L123 HydrophobicContact CD2-CD2 3.62Å; L12-L123 HydrophobicContact CG-CD2 4.26Å
13L67.3Low61Low67 Ų67103.1 Ų103.135%0.35149%0.494SS..Hα-helixtrans-64.6-43.9172.3-72.1173000111.4R9 R10 L15 G16 L17 L123R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.3Å; R10-L13 PolarHBondContact O-N 3.01Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-G16 PolarHBondContact O-N 3.41Å; L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.2Å; L13-L17 PolarHBondContact O-N 3.32Å; L13-L123 HydrophobicContact CD2-CD1 4.41Å
14F67.5Low62.3Low143 Ų14398 Ų9863%0.62748%0.478SS*.Hα-helixtrans-65.4-36173.7-78.6-64.7000111.4R10 Y18R10-F14 HydrophobicContact CB-CD2 4.16Å; R10-F14 HydrophobicContact CB-CE2 4.22Å; R10-F14 VanDerWaalsContact O-CB 3.31Å; R10-F14 WeakPolarHBondContact O-CB 3.28Å; R10-F14 WeakPolarHBondContact O-CD2 3.44Å; R10-F14 WeakPolarHBondContact O-CG 3.43Å; R10-F14 PolarHBondContact O-N 2.9Å; F14-Y18 WeakPolarHBondContact O-CA 3.16Å; F14-Y18 WeakPolarHBondContact O-CB 3.3Å; F14-Y18 PolarHBondContact O-N 2.81Å
15L68Low63.2Low105 Ų10598.9 Ų98.955%0.5547%0.474SS..Hα-helixtrans-70.4-40.8177-17269.4000110.6K11 L12 L13 Y18 F19K11-L15 WeakPolarHBondContact O-CA 3.16Å; K11-L15 WeakPolarHBondContact O-CB 3.5Å; K11-L15 PolarHBondContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 2.91Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L15-Y18 PolarHBondContact O-N 3.11Å; L15-F19 WeakPolarHBondContact O-CA 3.44Å; L15-F19 WeakPolarHBondContact O-CB 3.28Å; L15-F19 PolarHBondContact O-N 3.45Å
16G63.9Low64.1Low17 Ų1796.1 Ų96.118%0.17547%0.465CS..Hα-helixtrans-62.6-50.9173.300000111.3L12 L13 Y18 F19 V20L12-G16 PolarHBondContact O-N 3.46Å; L13-G16 PolarHBondContact O-N 3.41Å; G16-Y18 PolarHBondContact O-N 3.47Å; G16-F19 PolarHBondContact O-N 2.99Å; G16-V20 WeakPolarHBondContact O-CG2 3.41Å; G16-V20 PolarHBondContact O-N 3.23Å
17L68.2Low64.2Low104 Ų10492.5 Ų92.555%0.54545%0.45SS..Hα-helixtrans-64.6-38.2175.5-72.9171000112.6L13 V20 F21L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.2Å; L13-L17 PolarHBondContact O-N 3.32Å; L17-V20 WeakPolarHBondContact O-CB 3.4Å; L17-V20 PolarHBondContact O-N 2.9Å; L17-F21 WeakPolarHBondContact O-CB 3.44Å; L17-F21 PolarHBondContact O-N 3.29Å
18Y67.1Low64.9Low154 Ų15489.3 Ų89.360%0.60444%0.437SS*.Hα-helixtrans-70.6-36.7177.1-175.7-110.4000110.7F14 L15 G16 F21 I22F14-Y18 WeakPolarHBondContact O-CA 3.16Å; F14-Y18 WeakPolarHBondContact O-CB 3.3Å; F14-Y18 PolarHBondContact O-N 2.81Å; L15-Y18 PolarHBondContact O-N 3.11Å; G16-Y18 PolarHBondContact O-N 3.47Å; Y18-F21 PolarHBondContact O-N 3.16Å; Y18-I22 HydrophobicContact CD1-CD1 3.54Å; Y18-I22 HydrophobicContact CD1-CG1 4.27Å; Y18-I22 HydrophobicContact CE1-CD1 3.15Å; Y18-I22 HydrophobicContact CE1-CG1 4.06Å; Y18-I22 HydrophobicContact CE2-CD1 4.41Å; Y18-I22 HydrophobicContact CG-CD1 4.32Å; Y18-I22 WeakPolarHBondContact O-CB 3.31Å; Y18-I22 VanDerWaalsContact O-CG1 3.28Å; Y18-I22 WeakPolarHBondContact O-CG1 3.29Å; Y18-I22 PolarHBondContact O-N 2.89Å
19F67.3Low65.2Low90 Ų9094.6 Ų94.640%0.39545%0.445SS..Hα-helixtrans-66-44.4171.5-163.6-98000109.9L15 G16 F21 I22 V23 V112L15-F19 WeakPolarHBondContact O-CA 3.44Å; L15-F19 WeakPolarHBondContact O-CB 3.28Å; L15-F19 PolarHBondContact O-N 3.45Å; G16-F19 PolarHBondContact O-N 2.99Å; F19-F21 VanDerWaalsContact C-N 3.29Å; F19-F21 PolarHBondContact O-N 3.11Å; F19-I22 PolarHBondContact O-N 2.82Å; F19-V23 HydrophobicContact CD1-CG2 3.72Å; F19-V23 HydrophobicContact CE1-CG2 3.61Å; F19-V23 HydrophobicContact CG-CG2 4.34Å; F19-V23 HydrophobicContact CZ-CG2 4.16Å; F19-V23 WeakPolarHBondContact O-CB 3.33Å; F19-V23 WeakPolarHBondContact O-CG2 3.39Å; F19-V23 PolarHBondContact O-N 3.32Å; F19-V112 HydrophobicContact CE1-CG1 4.24Å
20V65.5Low64.9Low30 Ų3097.4 Ų97.418%0.18246%0.457CS..Hα-helixtrans-56.1-44.8170.2172.60000111.2G16 L17 V23 T24 Y116G16-V20 WeakPolarHBondContact O-CG2 3.41Å; G16-V20 PolarHBondContact O-N 3.23Å; L17-V20 WeakPolarHBondContact O-CB 3.4Å; L17-V20 PolarHBondContact O-N 2.9Å; V20-V23 PolarHBondContact O-N 3.28Å; V20-T24 WeakPolarHBondContact O-CA 3.39Å; V20-T24 WeakPolarHBondContact O-CB 3.46Å; V20-T24 PolarHBondContact O-N 3.39Å; V20-T24 PolarHBondContact O-OG1 3.41Å; V20-Y116 HydrophobicContact CB-CE2 4.32Å; V20-Y116 HydrophobicContact CG2-CD1 4.46Å; V20-Y116 HydrophobicContact CG2-CD2 3.17Å; V20-Y116 HydrophobicContact CG2-CE1 4.19Å; V20-Y116 HydrophobicContact CG2-CE2 2.85Å; V20-Y116 HydrophobicContact CG2-CG 3.99Å
21F69.3Low64.6Low138 Ų13895.6 Ų95.661%0.60545%0.454SS*.Hα-helixtrans-68.8-41.2-179-135.9-98.5000111.2L17 Y18 F19 T24 K25L17-F21 WeakPolarHBondContact O-CB 3.44Å; L17-F21 PolarHBondContact O-N 3.29Å; Y18-F21 PolarHBondContact O-N 3.16Å; F19-F21 VanDerWaalsContact C-N 3.29Å; F19-F21 PolarHBondContact O-N 3.11Å; F21-T24 PolarHBondContact O-N 3.42Å; F21-K25 HydrophobicContact CD1-CG 4.13Å; F21-K25 HydrophobicContact CE1-CG 4.47Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 WeakPolarHBondContact O-CG 3.36Å; F21-K25 PolarHBondContact O-N 3.08Å
22I70.1Confident64.4Low69 Ų6996.8 Ų96.835%0.35445%0.454SS..Hα-helixtrans-61.6-49.6173.4-77.6175.8000109.4Y18 F19 T24 K25 I26Y18-I22 HydrophobicContact CD1-CD1 3.54Å; Y18-I22 HydrophobicContact CD1-CG1 4.27Å; Y18-I22 HydrophobicContact CE1-CD1 3.15Å; Y18-I22 HydrophobicContact CE1-CG1 4.06Å; Y18-I22 HydrophobicContact CE2-CD1 4.41Å; Y18-I22 HydrophobicContact CG-CD1 4.32Å; Y18-I22 WeakPolarHBondContact O-CB 3.31Å; Y18-I22 VanDerWaalsContact O-CG1 3.28Å; Y18-I22 WeakPolarHBondContact O-CG1 3.29Å; Y18-I22 PolarHBondContact O-N 2.89Å; F19-I22 PolarHBondContact O-N 2.82Å; I22-T24 PolarHBondContact O-N 2.83Å; I22-K25 CarbonylContact O-C 3.58Å; I22-K25 PolarHBondContact O-N 3.15Å; I22-I26 WeakPolarHBondContact O-CA 3.04Å; I22-I26 VanDerWaalsContact O-CB 3.25Å; I22-I26 WeakPolarHBondContact O-CB 3.31Å; I22-I26 PolarHBondContact O-N 3.1Å
23V64.1Low63.9Low29 Ų2995.8 Ų95.818%0.17646%0.459CS..Hα-helixtrans-63.9-42.51801610000111.1F19 V20 K25 I26 G27 V112F19-V23 HydrophobicContact CD1-CG2 3.72Å; F19-V23 HydrophobicContact CE1-CG2 3.61Å; F19-V23 HydrophobicContact CG-CG2 4.34Å; F19-V23 HydrophobicContact CZ-CG2 4.16Å; F19-V23 WeakPolarHBondContact O-CB 3.33Å; F19-V23 WeakPolarHBondContact O-CG2 3.39Å; F19-V23 PolarHBondContact O-N 3.32Å; V20-V23 PolarHBondContact O-N 3.28Å; V23-K25 VanDerWaalsContact C-N 3.3Å; V23-K25 PolarHBondContact O-N 3.13Å; V23-I26 PolarHBondContact O-N 3.26Å; V23-G27 WeakPolarHBondContact O-CA 3.3Å; V23-G27 PolarHBondContact O-N 2.98Å; V23-V112 HydrophobicContact CB-CG1 3.72Å; V23-V112 HydrophobicContact CG1-CB 4.15Å; V23-V112 HydrophobicContact CG1-CG1 3.15Å; V23-V112 HydrophobicContact CG2-CG1 3.18Å
24T66.8Low62.7Low80 Ų8095.4 Ų95.449%0.49147%0.466SS..Hα-helixtrans-68.4-35.2177.7-56.30000109.9V20 F21 I22 S28V20-T24 WeakPolarHBondContact O-CA 3.39Å; V20-T24 WeakPolarHBondContact O-CB 3.46Å; V20-T24 PolarHBondContact O-N 3.39Å; V20-T24 PolarHBondContact O-OG1 3.41Å; F21-T24 PolarHBondContact O-N 3.42Å; I22-T24 PolarHBondContact O-N 2.83Å; T24-S28 WeakPolarHBondContact O-CA 2.96Å; T24-S28 WeakPolarHBondContact O-CB 3.43Å; T24-S28 PolarHBondContact O-N 3.41Å; T24-S28 PolarHBondContact O-OG 3.28Å
25K68.4Low61.5Low121 Ų12192 Ų9253%0.52646%0.46SS..Hα-helixtrans-74.9-39.2174.5-76-76.4-175.7175.60112.8F21 I22 V23 S28 R29F21-K25 HydrophobicContact CD1-CG 4.13Å; F21-K25 HydrophobicContact CE1-CG 4.47Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 WeakPolarHBondContact O-CG 3.36Å; F21-K25 PolarHBondContact O-N 3.08Å; I22-K25 CarbonylContact O-C 3.58Å; I22-K25 PolarHBondContact O-N 3.15Å; V23-K25 VanDerWaalsContact C-N 3.3Å; V23-K25 PolarHBondContact O-N 3.13Å; K25-S28 PolarHBondContact O-N 3.04Å; K25-R29 WeakPolarHBondContact O-CB 3.37Å; K25-R29 WeakPolarHBondContact O-CG 3.13Å; K25-R29 PolarHBondContact O-N 2.92Å
26I70.5Confident60.5Low86 Ų8691.4 Ų91.444%0.44146%0.464SS..Hα-helixtrans-69.4-45.8176.7-135.379.4000108.3I22 V23 S28 R29 Y30I22-I26 WeakPolarHBondContact O-CA 3.04Å; I22-I26 VanDerWaalsContact O-CB 3.25Å; I22-I26 WeakPolarHBondContact O-CB 3.31Å; I22-I26 PolarHBondContact O-N 3.1Å; V23-I26 PolarHBondContact O-N 3.26Å; I26-S28 PolarHBondContact O-N 2.9Å; I26-R29 CarbonylContact O-C 3.5Å; I26-R29 WeakPolarHBondContact O-CB 3.26Å; I26-R29 PolarHBondContact O-N 3.19Å; I26-R29 VanDerWaalsContact O-N 3.08Å; I26-Y30 HydrophobicContact CG1-CD2 4.49Å; I26-Y30 WeakPolarHBondContact O-CB 3.44Å; I26-Y30 WeakPolarHBondContact O-CD2 3.48Å; I26-Y30 PolarHBondContact O-N 3.42Å
27G57.5Low59.7Low19 Ų1994.7 Ų94.720%0.19648%0.484CS..Hα-helixtrans-61-42.7173.200000111.3V23 R29 Y30 F31V23-G27 WeakPolarHBondContact O-CA 3.3Å; V23-G27 PolarHBondContact O-N 2.98Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 2.99Å; G27-Y30 PolarHBondContact O-N 3.43Å; G27-F31 WeakPolarHBondContact O-CB 3.3Å; G27-F31 PolarHBondContact O-N 3.27Å
28S61.3Low58.2Low46 Ų4693.7 Ų93.732%0.32249%0.486SS..Hα-helixtrans-66.7-30172.6-74.40000113.7T24 K25 I26 R32T24-S28 WeakPolarHBondContact O-CA 2.96Å; T24-S28 WeakPolarHBondContact O-CB 3.43Å; T24-S28 PolarHBondContact O-N 3.41Å; T24-S28 PolarHBondContact O-OG 3.28Å; K25-S28 PolarHBondContact O-N 3.04Å; I26-S28 PolarHBondContact O-N 2.9Å; S28-R32 WeakPolarHBondContact O-CB 3.08Å; S28-R32 PolarHBondContact O-N 3.47Å
29R61.5Low56.5Low189 Ų18995.1 Ų95.171%0.71350%0.496SS*.Hα-helixtrans-75.9-42.5174.9-82-173.7164.9-161.9-3.8111.2K25 I26 G27 R32 A33K25-R29 WeakPolarHBondContact O-CB 3.37Å; K25-R29 WeakPolarHBondContact O-CG 3.13Å; K25-R29 PolarHBondContact O-N 2.92Å; I26-R29 CarbonylContact O-C 3.5Å; I26-R29 WeakPolarHBondContact O-CB 3.26Å; I26-R29 PolarHBondContact O-N 3.19Å; I26-R29 VanDerWaalsContact O-N 3.08Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 2.99Å; R29-R32 PolarHBondContact O-N 3.3Å; R29-A33 WeakPolarHBondContact O-CB 2.98Å; R29-A33 PolarHBondContact O-N 3.3Å
30Y54Low55Low144 Ų14496.6 Ų96.657%0.56551%0.507SS*.Hα-helixtrans-64.4-41.5172.7-95-88.5000111.6I26 G27 A33 A34I26-Y30 HydrophobicContact CG1-CD2 4.49Å; I26-Y30 WeakPolarHBondContact O-CB 3.44Å; I26-Y30 WeakPolarHBondContact O-CD2 3.48Å; I26-Y30 PolarHBondContact O-N 3.42Å; G27-Y30 PolarHBondContact O-N 3.43Å; Y30-A33 PolarHBondContact O-N 3.38Å; Y30-A34 VanDerWaalsContact O-CB 3.27Å; Y30-A34 WeakPolarHBondContact O-CB 3.24Å; Y30-A34 PolarHBondContact O-N 3.44Å
31F54Low53.2Low140 Ų140103 Ų10361%0.61453%0.53SS*.Hα-helixtrans-64.6-39.3175.1-171.3-98.2000111.6G27 A34 S35G27-F31 WeakPolarHBondContact O-CB 3.3Å; G27-F31 PolarHBondContact O-N 3.27Å; F31-A34 PolarHBondContact O-N 2.86Å; F31-S35 VanDerWaalsContact O-CB 3.29Å; F31-S35 WeakPolarHBondContact O-CB 3.41Å; F31-S35 PolarHBondContact O-N 3.2Å
32R56.1Low51.5Low173 Ų173104.7 Ų104.765%0.65354%0.539SS*.Hα-helixtrans-67.3-39.8171.9-101.1-178.4-80.8-146-8.7113.2S28 R29 S35 S36S28-R32 WeakPolarHBondContact O-CB 3.08Å; S28-R32 PolarHBondContact O-N 3.47Å; R29-R32 PolarHBondContact O-N 3.3Å; R32-S35 PolarHBondContact O-N 3.37Å; R32-S36 PolarHBondContact O-N 2.98Å
33A53.2Low49.7Very low67 Ų67109.9 Ų109.955%0.55456%0.559SS**Hα-helixtrans-64.8-41.9175.400000111.3R29 Y30 S36R29-A33 WeakPolarHBondContact O-CB 2.98Å; R29-A33 PolarHBondContact O-N 3.3Å; Y30-A33 PolarHBondContact O-N 3.38Å; A33-S36 PolarHBondContact O-N 3.49Å
34A42.4Very low48.1Very low60 Ų60116 Ų11650%0.49659%0.585SS.*Hα-helixtrans-68.3-38.717700000112.5Y30 F31 S36 S37Y30-A34 VanDerWaalsContact O-CB 3.27Å; Y30-A34 WeakPolarHBondContact O-CB 3.24Å; Y30-A34 PolarHBondContact O-N 3.44Å; F31-A34 PolarHBondContact O-N 2.86Å; A34-S36 PolarHBondContact O-N 2.87Å; A34-S37 WeakPolarHBondContact O-CB 3.36Å; A34-S37 PolarHBondContact O-N 2.84Å; A34-S37 VanDerWaalsContact O-N 3.09Å
35S42.6Very low46.4Very low72 Ų72118 Ų11850%0.50359%0.593SS.*Hα-helixtrans-62.7-28.2177.2176.40000113.1F31 R32 S37 S38F31-S35 VanDerWaalsContact O-CB 3.29Å; F31-S35 WeakPolarHBondContact O-CB 3.41Å; F31-S35 PolarHBondContact O-N 3.2Å; R32-S35 PolarHBondContact O-N 3.37Å; S35-S37 VanDerWaalsContact C-N 3.3Å; S35-S37 PolarHBondContact O-N 3.08Å; S35-S38 PolarHBondContact O-N 2.96Å
36S47.7Very low44.6Very low92 Ų92119.5 Ų119.564%0.64361%0.606SS**Hα-helixtrans-68.6-30.6175.6-1630000112.1R32 A33 A34R32-S36 PolarHBondContact O-N 2.98Å; A33-S36 PolarHBondContact O-N 3.49Å; A34-S36 PolarHBondContact O-N 2.87Å
37S46.6Very low42.4Very low85 Ų85122.1 Ų122.159%0.59462%0.62SS**Hα-helixtrans-72.4-29.7178.7-163.50000112.3A34 S35 K39 N40A34-S37 WeakPolarHBondContact O-CB 3.36Å; A34-S37 PolarHBondContact O-N 2.84Å; A34-S37 VanDerWaalsContact O-N 3.09Å; S35-S37 VanDerWaalsContact C-N 3.3Å; S35-S37 PolarHBondContact O-N 3.08Å; S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact O-N 2.63Å; S37-N40 PolarHBondContact O-N 3.08Å; S37-N40 VanDerWaalsContact O-N 3.13Å
38S36.6Very low41.1Very low83 Ų83127.1 Ų127.158%0.5865%0.649SS**Hα-helixtrans-63.4-27.5-176.5-162.10000114.3S35 N40 Y41S35-S38 PolarHBondContact O-N 2.96Å; S38-N40 VanDerWaalsContact C-N 3.29Å; S38-N40 PolarHBondContact O-N 2.98Å; S38-Y41 PolarHBondContact O-N 2.94Å
39K31.4Very low39.4Very low185 Ų185130 Ų13080%0.80467%0.665SS**Hα-helixtrans-73.7-18.1178.2-85.7-172.3177.1-177.70113.9S37S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact O-N 2.63Å
40N34.9Very low37.8Very low120 Ų120127.8 Ų127.864%0.64267%0.673SS**Hα-helixtrans-89.7-17.4176.1-83.5-45.8000113S37 S38 K43S37-N40 PolarHBondContact O-N 3.08Å; S37-N40 VanDerWaalsContact O-N 3.13Å; S38-N40 VanDerWaalsContact C-N 3.29Å; S38-N40 PolarHBondContact O-N 2.98Å; N40-K43 PolarHBondContact O-N 2.75Å
41Y27.6Very low36.4Very low166 Ų166126.7 Ų126.765%0.65168%0.681SS**Hα-helixtrans-76.5-27.2-176.9-156.2-100.5000113.2S38 K43 H44 L45S38-Y41 PolarHBondContact O-N 2.94Å; Y41-K43 PolarHBondContact O-N 2.79Å; Y41-H44 PolarHBondContact O-N 3.04Å; Y41-L45 HydrophobicContact CD1-CD1 4.11Å; Y41-L45 HydrophobicContact CE1-CD1 4.06Å
42E34.5Very low35.1Very low173 Ų173129 Ų12981%0.80869%0.691SS**THydrogen-bonded Turntrans-67.1-18.5177.5-152.9172.3116.900112.7
43K32.5Very low33.4Very low178 Ų178126.8 Ų126.877%0.77469%0.692SS**THydrogen-bonded Turntrans-88.2-11.5178.2-71.7-172.5178.9-179.60114.9N40 Y41N40-K43 PolarHBondContact O-N 2.75Å; Y41-K43 PolarHBondContact O-N 2.79Å
44H30.6Very low32.1Very low156 Ų156129.2 Ų129.272%0.72271%0.705SS**SBendtrans-112.510-172.1-141-74.8000114.7Y41 L46Y41-H44 PolarHBondContact O-N 3.04Å; H44-L46 VanDerWaalsContact C-N 3.32Å
45L31.1Very low31.3Very low124 Ų124130.4 Ų130.465%0.64971%0.71SS**  trans-83-0.3178-101.3147.1000114.6Y41Y41-L45 HydrophobicContact CD1-CD1 4.11Å; Y41-L45 HydrophobicContact CE1-CD1 4.06Å
46L30.3Very low30.6Very low152 Ų152134.2 Ų134.280%0.79673%0.73SS**SBendtrans-102.278.9167.4-81.1125.5000109.6H44H44-L46 VanDerWaalsContact C-N 3.32Å
47N24Very low29.5Very low140 Ų140136.5 Ų136.575%0.74974%0.735SS**  trans173.175.9146.1-88.3-8.6000110.2T49N47-T49 VanDerWaalsContact C-N 3.34Å; N47-T49 PolarHBondContact O-N 3.46Å; N47-T49 VanDerWaalsContact O-N 3.17Å
48P30.6Very low28.5Very low124 Ų124139.9 Ų139.981%0.80574%0.741SS**  trans-84.580.1170.234.9-28.4000109
49T25.6Very low27.8Very low107 Ų107144.2 Ų144.266%0.65676%0.758SS**  trans-139.674.2167.8-38.50000109.5N47 T51N47-T49 VanDerWaalsContact C-N 3.34Å; N47-T49 PolarHBondContact O-N 3.46Å; N47-T49 VanDerWaalsContact O-N 3.17Å; T49-T51 HydrophobicContact CG2-CG2 4.08Å
50V27.1Very low27.5Very low143 Ų143138.9 Ų138.987%0.86776%0.755SS**  trans-101.785.3159.9-179.60000106.6F52V50-F52 PolarHBondContact O-N 3.5Å
51T25.2Very low27.2Very low120 Ų120142.5 Ų142.574%0.73677%0.768SS**  trans-70.9105.3161.145.30000107.3T49T49-T51 HydrophobicContact CG2-CG2 4.08Å
52F26.2Very low27.1Very low188 Ų188146.6 Ų146.683%0.82578%0.783SS**  trans-96106.8164.3-166.6-100.6000107.7V50 S54V50-F52 PolarHBondContact O-N 3.5Å; F52-S54 PolarHBondContact O-N 3.1Å
53D21.3Very low26.9Very low127 Ų127142.2 Ų142.268%0.67978%0.783SS**  trans-57.2128.1-177.4-165.31.7000110.7
54S25.2Very low27Very low118 Ų118138.5 Ų138.583%0.82578%0.78SS**  trans-101.283.9-175.1-61.80000107.9F52F52-S54 PolarHBondContact O-N 3.1Å
55S25.3Very low27.2Very low86 Ų86143.4 Ų143.460%0.60179%0.792SS**  trans-142.761.3176.956.10000112.1
56V28.2Very low27.7Very low151 Ų151145.3 Ų145.392%0.91580%0.8SS**  trans-142.781.5155.4-171.80000108.2
57D24.1Very low28.2Very low140 Ų140145 Ų14575%0.74980%0.799SS**  trans-117.9130.9157.1-148.23.2000107.6
58Q26.5Very low29.3Very low157 Ų157149.6 Ų149.673%0.73481%0.806SS**SBendtrans67.187.4163.5-46.2-165.710.500119.2
59N22.6Very low30.2Very low174 Ų174152.6 Ų152.693%0.9381%0.806SS**  176.4140123.2-102.6-25.6000112.3
60G24.1Very low30.9Very low72 Ų72154.5 Ų154.574%0.74281%0.812SS**  trans109.596.114700000116.5R62G60-R62 PolarHBondContact O-N 2.78Å
61E28.6Very low32Very low197 Ų197156.1 Ų156.192%0.92181%0.814SS**  trans-48.1112.1153.4-57.7177.312500111.7
62R25.3Very low33Very low252 Ų252152.8 Ų152.895%0.95180%0.804SS**  trans178.5112.5140.1-114.8170.4172.9159.4-0.4112.6G60G60-R62 PolarHBondContact O-N 2.78Å
63G29.9Very low34.6Very low80 Ų80151.2 Ų151.283%0.82580%0.802SS**  trans65.496.4138.900000118.8
64S35.1Very low35.9Very low100 Ų100152.5 Ų152.570%0.69981%0.805SS**  trans-157.188.1136.1-169.90000109.8M66S64-M66 PolarHBondContact O-N 3.49Å
65W34.2Very low37.6Very low259 Ų259151.5 Ų151.598%0.98179%0.793SS**  trans-8043.4-179.6-164.438.8000112.1
66M42.1Very low39.1Very low165 Ų165152.9 Ų152.981%0.81380%0.798SS**  trans-147.543-174.4-71.6-177.170.300115.2S64S64-M66 PolarHBondContact O-N 3.49Å
67N41.7Very low40.4Very low146 Ų146155.3 Ų155.378%0.78179%0.79SS**  trans-138.680.3164.5-79.6-49.3000111.4K69N67-K69 VanDerWaalsContact C-N 3.29Å; N67-K69 PolarHBondContact O-N 2.05Å
68R46.6Very low41.7Very low235 Ų235151.4 Ų151.489%0.88777%0.773SS**  trans-68.186.1166.7-80.3-178.3163174.2-4.4109.5L70R68-L70 PolarHBondContact O-N 2.84Å
69K48.5Very low42.9Very low188 Ų188150.8 Ų150.882%0.81777%0.77SS**  trans-73.980.4160.9-97.8-178.6174.4179.30108.7N67N67-K69 VanDerWaalsContact C-N 3.29Å; N67-K69 PolarHBondContact O-N 2.05Å
70L41.4Very low44.7Very low147 Ų147149 Ų14977%0.7777%0.767SS**THydrogen-bonded Turntrans-76.8122.5166.7-90.1162.4000108.3R68R68-L70 PolarHBondContact O-N 2.84Å
71L49Very low46.2Very low176 Ų176150.7 Ų150.792%0.92177%0.768SS**THydrogen-bonded Turntrans78.434.2175.6-53.5173.6000117.9
72G46.9Very low47.4Very low50 Ų50146.8 Ų146.852%0.51575%0.753SS.*  trans-96.190.9155.800000109.9Q74G72-Q74 VanDerWaalsContact C-N 3.3Å; G72-Q74 PolarHBondContact O-N 3.08Å
73I60.4Low49Very low155 Ų155143.2 Ų143.280%0.79575%0.753SS**  trans-67.699.6163.8-159.1152.2000106.3V75I73-V75 VanDerWaalsContact C-N 3.29Å; I73-V75 HydrophobicContact CG2-CG2 4.37Å; I73-V75 PolarHBondContact O-N 3.46Å
74Q49.1Very low50.8Low155 Ų155142.9 Ų142.972%0.72474%0.736SS**  trans-7098.7166.8-73.3-71.3-84.200105G72 V76G72-Q74 VanDerWaalsContact C-N 3.3Å; G72-Q74 PolarHBondContact O-N 3.08Å; Q74-V76 PolarHBondContact O-N 3.43Å
75V61Low52.3Low96 Ų96144.1 Ų144.158%0.58274%0.74SS**  trans-65.885.6162.6-177.50000105.1I73 R77I73-V75 VanDerWaalsContact C-N 3.29Å; I73-V75 HydrophobicContact CG2-CG2 4.37Å; I73-V75 PolarHBondContact O-N 3.46Å; V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 3.23Å
76V55.4Low53.9Low115 Ų115136.6 Ų136.670%0.69773%0.725SS**  trans-58.5103.5166.8174.40000104.3Q74 P78Q74-V76 PolarHBondContact O-N 3.43Å; V76-P78 VanDerWaalsContact O-CD 3.29Å; V76-P78 WeakPolarHBondContact O-CD 3.29Å; V76-P78 VanDerWaalsContact O-N 3.11Å
77R55.7Low55Low203 Ų203133.4 Ų133.477%0.76671%0.711SS**  trans-62.5115.2165.8-68.8-142.5-169.2-118.94.8104.7V75 H79V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 3.23Å; R77-H79 PolarHBondContact O-N 2.88Å
78P52.1Low56.3Low58 Ų58128.7 Ų128.738%0.37769%0.691SS.*  trans-60142.4-176.425.9-32.5000108.1V76 L82 C84V76-P78 VanDerWaalsContact O-CD 3.29Å; V76-P78 WeakPolarHBondContact O-CD 3.29Å; V76-P78 VanDerWaalsContact O-N 3.11Å; P78-L82 HydrophobicContact CB-CB 4.17Å; P78-C84 HydrophobicContact CB-CB 4.26Å; P78-C84 WeakPolarHBondContact CB-SG 3.26Å; P78-C84 HydrophobicContact CG-CB 3.71Å; P78-C84 WeakPolarHBondContact CG-SG 3.39Å
79H52Low57.4Low144 Ų144123.6 Ų123.667%0.66768%0.68SS**  trans-49.6143.4172.1-97.3-89000109.4R77 S81 L82R77-H79 PolarHBondContact O-N 2.88Å; H79-S81 PolarHBondContact O-N 3.32Å; H79-L82 PolarHBondContact O-N 2.97Å
80P59.7Low58.2Low136 Ų136120.6 Ų120.688%0.88367%0.67SS**THydrogen-bonded Turntrans-58.6-6.3-173.319.4-30.9000115.2
81S56.4Low59.6Low108 Ų108116.6 Ų116.676%0.75565%0.649SS**THydrogen-bonded Turntrans-93.7-7.6174.253.80000115H79H79-S81 PolarHBondContact O-N 3.32Å
82L53.7Low60.7Low114 Ų114112.7 Ų112.760%0.59762%0.624SS**SBendtrans-100.6106176.2-75.6154.5000108.9P78 H79 C84P78-L82 HydrophobicContact CB-CB 4.17Å; H79-L82 PolarHBondContact O-N 2.97Å; L82-C84 PolarHBondContact O-N 3.2Å
83N58.8Low61.9Low178 Ų178114.2 Ų114.295%0.95263%0.625SS**  trans-63.578169.5-108.4-18.4000109.3
84C66.4Low62.4Low72 Ų72118.4 Ų118.449%0.48663%0.631SS.*PPolyproline II helixtrans-77.1146.1172.9-69.20000109.9P78 L82P78-C84 HydrophobicContact CB-CB 4.26Å; P78-C84 WeakPolarHBondContact CB-SG 3.26Å; P78-C84 HydrophobicContact CG-CB 3.71Å; P78-C84 WeakPolarHBondContact CG-SG 3.39Å; L82-C84 PolarHBondContact O-N 3.2Å
85T68.2Low63.7Low126 Ų126114.7 Ų114.777%0.77362%0.616SS**PPolyproline II helixtrans-58130.2170.746.40000108.9L87T85-L87 PolarHBondContact O-N 3.14Å
86P67.3Low64.4Low102 Ų102117.1 Ų117.166%0.66263%0.625SS**PPolyproline II helixtrans-58.1141.6178.625.3-33.4000109.7A88P86-A88 PolarHBondContact O-N 3.39Å
87L65.6Low65.3Low98 Ų98113.5 Ų113.551%0.51360%0.6SS.*PPolyproline II helixtrans-70.3131.9178.5-66.3110.8000109.4T85 I89 E90T85-L87 PolarHBondContact O-N 3.14Å; L87-I89 HydrophobicContact CB-CG2 3.96Å; L87-I89 PolarHBondContact O-N 3.19Å; L87-E90 PolarHBondContact O-N 3.18Å
88A67.9Low66.4Low46 Ų46107.6 Ų107.638%0.3859%0.586SS.*G310 helixtrans-54.6-22.7178.200000113.9P86 E90 N91 F92P86-A88 PolarHBondContact O-N 3.39Å; A88-E90 VanDerWaalsContact C-N 3.27Å; A88-E90 PolarHBondContact O-N 2.99Å; A88-N91 PolarHBondContact O-N 3.21Å; A88-F92 WeakPolarHBondContact O-CD2 3.37Å
89I69Low67.6Low128 Ų128111.1 Ų111.166%0.65660%0.597SS**G310 helixtrans-65.9-27.2176.7-162.3166.4000113.3L87 N91L87-I89 HydrophobicContact CB-CG2 3.96Å; L87-I89 PolarHBondContact O-N 3.19Å; I89-N91 PolarHBondContact O-N 2.91Å
90E66.6Low68.9Low126 Ų126107 Ų10759%0.58959%0.585SS**G310 helixtrans-75.8-12.7-178.7-62.4-163.7162.900112.9L87 A88L87-E90 PolarHBondContact O-N 3.18Å; A88-E90 VanDerWaalsContact C-N 3.27Å; A88-E90 PolarHBondContact O-N 2.99Å
91N70.1Confident69.8Low62 Ų62104.9 Ų104.933%0.33256%0.563SS.*G310 helixtrans-86.4-15.3179.8-63.4-42.8000113.5A88 I89 A171 D173A88-N91 PolarHBondContact O-N 3.21Å; I89-N91 PolarHBondContact O-N 2.91Å; N91-A171 WeakPolarHBondContact CB-O 3.39Å; N91-A171 WeakPolarHBondContact O-CA 3.47Å; N91-D173 VanDerWaalsContact CB-OD2 3.28Å; N91-D173 WeakPolarHBondContact CB-OD2 3.47Å; N91-D173 PolarHBondContact ND2-OD1 3.26Å; N91-D173 PolarHBondContact ND2-OD2 3.38Å
92F72.2Confident70.9Confident94 Ų94103.8 Ų103.841%0.41254%0.543SS..SBendtrans-71.3149.4174.3-73.1-84000111A88 A171 I175A88-F92 WeakPolarHBondContact O-CD2 3.37Å; F92-A171 HydrophobicContact CD1-CB 4.11Å; F92-A171 HydrophobicContact CE1-CB 3.88Å; F92-A171 HydrophobicContact CE2-CB 4.39Å; F92-A171 HydrophobicContact CG-CB 4.47Å; F92-A171 HydrophobicContact CZ-CB 4.03Å; F92-I175 HydrophobicContact CZ-CD1 4.34Å; F92-I175 HydrophobicContact CZ-CG2 4.05Å
93P72.9Confident72Confident82 Ų82106.2 Ų106.253%0.53255%0.551SS.*PPolyproline II helixtrans-62.6147.3-179.531.2-33.7000109.3D95 I170P93-D95 PolarHBondContact O-N 2.53Å; P93-I170 HydrophobicContact CB-CG2 3.82Å; P93-I170 VanDerWaalsContact CD-CG2 3.48Å; P93-I170 HydrophobicContact CG-CG2 3.65Å
94R70.8Confident73.3Confident244 Ų244107.4 Ų107.492%0.92154%0.543SS*.PPolyproline II helixtrans-61.3123.8-178.7-64.1-170-179.5-154.8-0.1110
95D75.9Confident74Confident77 Ų77105.2 Ų105.241%0.41253%0.533SS..PPolyproline II helixtrans-56.8144.9172.4-87.2-23.6000110.5P93 F97 R102P93-D95 PolarHBondContact O-N 2.53Å; D95-F97 PolarHBondContact O-N 2.7Å; D95-R102 IonicContact OD2-CZ 3.21Å; D95-R102 IonicContact OD2-NE 3.12Å; D95-R102 PolarHBondContact OD2-NE 2.95Å; D95-R102 VanDerWaalsContact OD2-NE 3.12Å; D95-R102 IonicContact OD2-NH2 2.73Å; D95-R102 PolarHBondContact OD2-NH2 3.03Å
96I75.7Confident74.7Confident147 Ų14799.7 Ų99.775%0.75450%0.5SS*.SBendtrans-63.5-18.2174.459.5172.7000112.8
97F75.2Confident75.6Confident39 Ų3998.6 Ų98.617%0.17149%0.492CS..SBendtrans-105.3132.6178.5-60.9-69.7000110.9D95 Q101 R102 A106 I109 H110D95-F97 PolarHBondContact O-N 2.7Å; F97-Q101 HydrophobicContact CB-CB 4.36Å; F97-R102 HydrophobicContact CB-CG 4.37Å; F97-A106 HydrophobicContact CB-CB 4.28Å; F97-A106 HydrophobicContact CD1-CB 4.11Å; F97-A106 HydrophobicContact CD2-CB 4.33Å; F97-A106 HydrophobicContact CG-CB 3.98Å; F97-I109 HydrophobicContact CZ-CD1 4.16Å; F97-H110 AromaticContact CD2-NE2 3.33Å; F97-H110 VanDerWaalsContact CD2-NE2 3.33Å; F97-H110 WeakPolarHBondContact CD2-NE2 3.36Å; F97-H110 AromaticContact CE2-NE2 3.84Å
98T78.2Confident76.7Confident78 Ų7898.6 Ų98.648%0.47949%0.491SS..  trans-69.8156.5174.8570000111.1S100 Q101 R102T98-S100 PolarHBondContact O-N 3.46Å; T98-S100 PolarHBondContact OG1-OG 2.86Å; T98-Q101 WeakPolarHBondContact O-CA 3.25Å; T98-Q101 WeakPolarHBondContact O-CB 3.4Å; T98-Q101 PolarHBondContact O-N 3.07Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.46Å; T98-Q101 PolarHBondContact OG1-OE1 3.25Å; T98-R102 PolarHBondContact O-N 3.31Å
99Q77.2Confident77.6Confident132 Ų13299.1 Ų99.162%0.61749%0.487SS*.Hα-helixtrans-57.5-33.8-179-71-69.76.200112.8R102 Q103Q99-R102 PolarHBondContact O-N 2.88Å; Q99-Q103 WeakPolarHBondContact O-CG 3.27Å; Q99-Q103 PolarHBondContact O-N 3.05Å
100S78.3Confident78.4Confident59 Ų5996.1 Ų96.141%0.41347%0.47SS..Hα-helixtrans-63-45.2172.850.40000111.5T98 R102 Q103 Y104T98-S100 PolarHBondContact O-N 3.46Å; T98-S100 PolarHBondContact OG1-OG 2.86Å; S100-R102 VanDerWaalsContact C-N 3.33Å; S100-R102 PolarHBondContact O-N 3.32Å; S100-Q103 WeakPolarHBondContact O-CB 3.45Å; S100-Q103 PolarHBondContact O-N 3.28Å; S100-Y104 WeakPolarHBondContact O-CD2 3.44Å; S100-Y104 PolarHBondContact O-N 3.31Å; S100-Y104 VanDerWaalsContact O-N 3.15Å
101Q80.2Confident79.5Confident91 Ų9195.1 Ų95.143%0.42547%0.468SS..Hα-helixtrans-64.1-35.2176.9-70.5176.3-36.300113F97 T98 Q103 Y104 G105 A106F97-Q101 HydrophobicContact CB-CB 4.36Å; T98-Q101 WeakPolarHBondContact O-CA 3.25Å; T98-Q101 WeakPolarHBondContact O-CB 3.4Å; T98-Q101 PolarHBondContact O-N 3.07Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.46Å; T98-Q101 PolarHBondContact OG1-OE1 3.25Å; Q101-Q103 VanDerWaalsContact C-N 3.34Å; Q101-Y104 PolarHBondContact O-N 2.83Å; Q101-G105 PolarHBondContact O-N 3.18Å; Q101-A106 HydrophobicContact CB-CB 4.43Å; Q101-A106 VanDerWaalsContact O-CB 3.23Å; Q101-A106 WeakPolarHBondContact O-CB 3.41Å; Q101-A106 PolarHBondContact O-N 3.13Å; Q101-A106 VanDerWaalsContact O-N 3.1Å
102R78.4Confident80.4Confident84 Ų8493.2 Ų93.232%0.31746%0.459SS..Iπ-helixtrans-60.7-42.6172.9-75.3170.9130.3-129.85.6111.6D95 F97 T98 Q99 S100 Y104 G105 V107D95-R102 IonicContact OD2-CZ 3.21Å; D95-R102 IonicContact OD2-NE 3.12Å; D95-R102 PolarHBondContact OD2-NE 2.95Å; D95-R102 VanDerWaalsContact OD2-NE 3.12Å; D95-R102 IonicContact OD2-NH2 2.73Å; D95-R102 PolarHBondContact OD2-NH2 3.03Å; F97-R102 HydrophobicContact CB-CG 4.37Å; T98-R102 PolarHBondContact O-N 3.31Å; Q99-R102 PolarHBondContact O-N 2.88Å; S100-R102 VanDerWaalsContact C-N 3.33Å; S100-R102 PolarHBondContact O-N 3.32Å; R102-Y104 VanDerWaalsContact C-N 3.32Å; R102-Y104 PolarHBondContact O-N 3.34Å; R102-G105 PolarHBondContact O-N 3.35Å; R102-G105 VanDerWaalsContact O-N 3.17Å; R102-V107 HydrophobicContact CB-CG2 4.11Å; R102-V107 HydrophobicContact CG-CG2 4.46Å
103Q78.3Confident81.3Confident165 Ų16592.4 Ų92.477%0.77146%0.461SS*.Iπ-helixtrans-64.5-34.3176.3-69.7176.1-25.800112.8Q99 S100 Q101 G105Q99-Q103 WeakPolarHBondContact O-CG 3.27Å; Q99-Q103 PolarHBondContact O-N 3.05Å; S100-Q103 WeakPolarHBondContact O-CB 3.45Å; S100-Q103 PolarHBondContact O-N 3.28Å; Q101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-G105 PolarHBondContact O-N 3.39Å
104Y84.1Confident82Confident203 Ų20392.2 Ų92.280%0.79646%0.462SS*.Iπ-helixtrans-79.99.9175.5-68.8-69.1000114.5S100 Q101 R102S100-Y104 WeakPolarHBondContact O-CD2 3.44Å; S100-Y104 PolarHBondContact O-N 3.31Å; S100-Y104 VanDerWaalsContact O-N 3.15Å; Q101-Y104 PolarHBondContact O-N 2.83Å; R102-Y104 VanDerWaalsContact C-N 3.32Å; R102-Y104 PolarHBondContact O-N 3.34Å
105G81.6Confident83Confident26 Ų2684 Ų8427%0.26844%0.435SS..Iπ-helixtrans109.45.8170.400000115.9Q101 R102 Q103 V107 I108Q101-G105 PolarHBondContact O-N 3.18Å; R102-G105 PolarHBondContact O-N 3.35Å; R102-G105 VanDerWaalsContact O-N 3.17Å; Q103-G105 PolarHBondContact O-N 3.39Å; G105-V107 PolarHBondContact O-N 3.2Å; G105-V107 VanDerWaalsContact O-N 3.1Å; G105-I108 WeakPolarHBondContact O-CB 3.26Å; G105-I108 PolarHBondContact O-N 2.98Å
106A83.9Confident83.6Confident10 Ų1085 Ų858%0.08343%0.434CS..Iπ-helixtrans-61.4-19.3175.800000113.3F97 Q101 I108 I109 H110F97-A106 HydrophobicContact CB-CB 4.28Å; F97-A106 HydrophobicContact CD1-CB 4.11Å; F97-A106 HydrophobicContact CD2-CB 4.33Å; F97-A106 HydrophobicContact CG-CB 3.98Å; Q101-A106 HydrophobicContact CB-CB 4.43Å; Q101-A106 VanDerWaalsContact O-CB 3.23Å; Q101-A106 WeakPolarHBondContact O-CB 3.41Å; Q101-A106 PolarHBondContact O-N 3.13Å; Q101-A106 VanDerWaalsContact O-N 3.1Å; A106-I108 PolarHBondContact O-N 3.12Å; A106-I109 WeakPolarHBondContact O-CB 3.17Å; A106-I109 PolarHBondContact O-N 3.02Å; A106-H110 PolarHBondContact O-N 2.66Å
107V86.1Confident84.3Confident80 Ų8083.3 Ų83.349%0.48542%0.424SS..Hα-helixtrans-57.1-33.9172178.90000112R102 G105 I109 H110 L111R102-V107 HydrophobicContact CB-CG2 4.11Å; R102-V107 HydrophobicContact CG-CG2 4.46Å; G105-V107 PolarHBondContact O-N 3.2Å; G105-V107 VanDerWaalsContact O-N 3.1Å; V107-I109 PolarHBondContact O-N 3.19Å; V107-H110 PolarHBondContact O-N 2.93Å; V107-L111 PolarHBondContact O-N 3.4Å
108I87.5Confident84.9Confident98 Ų9888.7 Ų88.750%0.50345%0.448SS..Hα-helixtrans-61-37.8177.2-60.3173.7000110G105 A106 L111 V112G105-I108 WeakPolarHBondContact O-CB 3.26Å; G105-I108 PolarHBondContact O-N 2.98Å; A106-I108 PolarHBondContact O-N 3.12Å; I108-L111 PolarHBondContact O-N 2.93Å; I108-V112 HydrophobicContact CG2-CG2 4.16Å; I108-V112 WeakPolarHBondContact O-CB 3.35Å; I108-V112 WeakPolarHBondContact O-CG2 3.48Å; I108-V112 PolarHBondContact O-N 2.96Å
109I87Confident85.4Confident57 Ų5788.3 Ų88.329%0.29244%0.442SS..Hα-helixtrans-63.2-47.4178.6-59.5173.2000110.1F97 A106 V107 L111 V112 V113F97-I109 HydrophobicContact CZ-CD1 4.16Å; A106-I109 WeakPolarHBondContact O-CB 3.17Å; A106-I109 PolarHBondContact O-N 3.02Å; V107-I109 PolarHBondContact O-N 3.19Å; I109-L111 PolarHBondContact O-N 3.21Å; I109-V112 PolarHBondContact O-N 3.49Å; I109-V113 HydrophobicContact CG2-CG2 4.38Å; I109-V113 VanDerWaalsContact O-CG2 3.29Å; I109-V113 WeakPolarHBondContact O-CG2 3.25Å; I109-V113 PolarHBondContact O-N 3.38Å
110H86.4Confident85.9Confident65 Ų6583.6 Ų83.630%0.30143%0.429SS..Hα-helixtrans-60.5-45177.1-73.6-79.2000112.5F97 A106 V107 V112 V113 S114F97-H110 AromaticContact CD2-NE2 3.33Å; F97-H110 VanDerWaalsContact CD2-NE2 3.33Å; F97-H110 WeakPolarHBondContact CD2-NE2 3.36Å; F97-H110 AromaticContact CE2-NE2 3.84Å; A106-H110 PolarHBondContact O-N 2.66Å; V107-H110 PolarHBondContact O-N 2.93Å; H110-V112 VanDerWaalsContact C-N 3.3Å; H110-V112 PolarHBondContact O-N 3.37Å; H110-V113 PolarHBondContact O-N 2.84Å; H110-S114 WeakPolarHBondContact O-CB 3.29Å; H110-S114 PolarHBondContact O-N 2.98Å
111L89.2Confident86.2Confident104 Ų10484.7 Ų84.755%0.54543%0.43SS..Hα-helixtrans-58.6-46178.6178.462.7000110.9V107 I108 I109 S114 I115V107-L111 PolarHBondContact O-N 3.4Å; I108-L111 PolarHBondContact O-N 2.93Å; I109-L111 PolarHBondContact O-N 3.21Å; L111-S114 WeakPolarHBondContact O-CB 3.49Å; L111-S114 PolarHBondContact O-N 3.01Å; L111-I115 HydrophobicContact CD1-CD1 4.03Å; L111-I115 HydrophobicContact CD1-CG1 4.4Å; L111-I115 HydrophobicContact CG-CD1 3.92Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.19Å; L111-I115 PolarHBondContact O-N 3.23Å
112V89.6Confident86.6Confident23 Ų2382.5 Ų82.514%0.13943%0.428CS..Hα-helixtrans-70.4-39.6-177.4-178.10000111.7F19 V23 I108 I109 H110 S114 I115 Y116F19-V112 HydrophobicContact CE1-CG1 4.24Å; V23-V112 HydrophobicContact CB-CG1 3.72Å; V23-V112 HydrophobicContact CG1-CB 4.15Å; V23-V112 HydrophobicContact CG1-CG1 3.15Å; V23-V112 HydrophobicContact CG2-CG1 3.18Å; I108-V112 HydrophobicContact CG2-CG2 4.16Å; I108-V112 WeakPolarHBondContact O-CB 3.35Å; I108-V112 WeakPolarHBondContact O-CG2 3.48Å; I108-V112 PolarHBondContact O-N 2.96Å; I109-V112 PolarHBondContact O-N 3.49Å; H110-V112 VanDerWaalsContact C-N 3.3Å; H110-V112 PolarHBondContact O-N 3.37Å; V112-S114 VanDerWaalsContact C-N 3.32Å; V112-S114 PolarHBondContact O-N 2.91Å; V112-I115 PolarHBondContact O-N 2.91Å; V112-Y116 WeakPolarHBondContact O-CB 3.36Å; V112-Y116 PolarHBondContact O-N 3.47Å
113V90.3Very high87.1Confident77 Ų7780 Ų8047%0.46742%0.42SS..Hα-helixtrans-61.1-43.3172.7171.40000110.5I109 H110 Y116 M117I109-V113 HydrophobicContact CG2-CG2 4.38Å; I109-V113 VanDerWaalsContact O-CG2 3.29Å; I109-V113 WeakPolarHBondContact O-CG2 3.25Å; I109-V113 PolarHBondContact O-N 3.38Å; H110-V113 PolarHBondContact O-N 2.84Å; V113-Y116 PolarHBondContact O-N 3.38Å; V113-M117 HydrophobicContact CG1-CG 4.39Å; V113-M117 WeakPolarHBondContact O-CG 3.28Å; V113-M117 PolarHBondContact O-N 3.5Å
114S88.4Confident87.6Confident77 Ų7776.5 Ų76.554%0.53841%0.406SS..Hα-helixtrans-60.6-47.1177-171.30000111.9H110 L111 V112 Y116 M117 F118H110-S114 WeakPolarHBondContact O-CB 3.29Å; H110-S114 PolarHBondContact O-N 2.98Å; L111-S114 WeakPolarHBondContact O-CB 3.49Å; L111-S114 PolarHBondContact O-N 3.01Å; V112-S114 VanDerWaalsContact C-N 3.32Å; V112-S114 PolarHBondContact O-N 2.91Å; S114-Y116 VanDerWaalsContact C-N 3.32Å; S114-Y116 PolarHBondContact O-N 3.13Å; S114-M117 PolarHBondContact O-N 3.43Å; S114-F118 WeakPolarHBondContact O-CB 3.34Å; S114-F118 PolarHBondContact O-N 2.98Å
115I91Very high87.8Confident72 Ų7269.8 Ų69.837%0.36939%0.388SS..Hα-helixtrans-62-42.6176.9-69.5166.6000110.4L111 V112 F118 I119L111-I115 HydrophobicContact CD1-CD1 4.03Å; L111-I115 HydrophobicContact CD1-CG1 4.4Å; L111-I115 HydrophobicContact CG-CD1 3.92Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.19Å; L111-I115 PolarHBondContact O-N 3.23Å; V112-I115 PolarHBondContact O-N 2.91Å; I115-F118 PolarHBondContact O-N 3.47Å; I115-I119 HydrophobicContact CG2-CD1 3.76Å; I115-I119 HydrophobicContact CG2-CG1 4.42Å; I115-I119 VanDerWaalsContact O-CG1 3.32Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 3.45Å
116Y89.2Confident88Confident99 Ų9974.1 Ų74.139%0.38841%0.405SS..Hα-helixtrans-61.6-47.4178.2172.2-115.5000112.2V20 V112 V113 S114 F118 I119 G120V20-Y116 HydrophobicContact CB-CE2 4.32Å; V20-Y116 HydrophobicContact CG2-CD1 4.46Å; V20-Y116 HydrophobicContact CG2-CD2 3.17Å; V20-Y116 HydrophobicContact CG2-CE1 4.19Å; V20-Y116 HydrophobicContact CG2-CE2 2.85Å; V20-Y116 HydrophobicContact CG2-CG 3.99Å; V112-Y116 WeakPolarHBondContact O-CB 3.36Å; V112-Y116 PolarHBondContact O-N 3.47Å; V113-Y116 PolarHBondContact O-N 3.38Å; S114-Y116 VanDerWaalsContact C-N 3.32Å; S114-Y116 PolarHBondContact O-N 3.13Å; Y116-F118 VanDerWaalsContact C-N 3.3Å; Y116-F118 PolarHBondContact O-N 3.01Å; Y116-I119 PolarHBondContact O-N 2.99Å; Y116-G120 PolarHBondContact O-N 3.47Å
117M89.6Confident88.1Confident110 Ų11075.2 Ų75.254%0.54241%0.41SS..Hα-helixtrans-62.4-39.2177.3-69.8-60.1-66.400111.6V113 S114 G120 L121V113-M117 HydrophobicContact CG1-CG 4.39Å; V113-M117 WeakPolarHBondContact O-CG 3.28Å; V113-M117 PolarHBondContact O-N 3.5Å; S114-M117 PolarHBondContact O-N 3.43Å; M117-G120 PolarHBondContact O-N 3.35Å; M117-L121 WeakPolarHBondContact O-CG 3.47Å; M117-L121 PolarHBondContact O-N 3.15Å
118F87.8Confident88.3Confident153 Ų15377.8 Ų77.867%0.67141%0.412SS*.Hα-helixtrans-63.6-46.5176.9-173.1-101.2000112.2S114 I115 Y116 G120 L121 A122S114-F118 WeakPolarHBondContact O-CB 3.34Å; S114-F118 PolarHBondContact O-N 2.98Å; I115-F118 PolarHBondContact O-N 3.47Å; Y116-F118 VanDerWaalsContact C-N 3.3Å; Y116-F118 PolarHBondContact O-N 3.01Å; F118-G120 VanDerWaalsContact C-N 3.31Å; F118-G120 PolarHBondContact O-N 3.43Å; F118-L121 PolarHBondContact O-N 3.28Å; F118-A122 PolarHBondContact O-N 3Å
119I88.5Confident88.4Confident69 Ų6975.9 Ų75.935%0.35440%0.4SS..Hα-helixtrans-62.4-41.4174.6-66.5167.8000110.5I115 Y116 L121 A122 L123I115-I119 HydrophobicContact CG2-CD1 3.76Å; I115-I119 HydrophobicContact CG2-CG1 4.42Å; I115-I119 VanDerWaalsContact O-CG1 3.32Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 3.45Å; Y116-I119 PolarHBondContact O-N 2.99Å; I119-L121 VanDerWaalsContact C-N 3.35Å; I119-L121 PolarHBondContact O-N 3.47Å; I119-A122 PolarHBondContact O-N 3Å; I119-L123 HydrophobicContact CG2-CD1 3.91Å; I119-L123 HydrophobicContact CG2-CG 4.28Å; I119-L123 WeakPolarHBondContact O-CG 3.2Å; I119-L123 PolarHBondContact O-N 2.87Å
120G88Confident88.6Confident33 Ų3376.3 Ų76.334%0.3440%0.402SS..Hα-helixtrans-58.3-44.8177.300000112.5Y116 M117 F118 L124Y116-G120 PolarHBondContact O-N 3.47Å; M117-G120 PolarHBondContact O-N 3.35Å; F118-G120 VanDerWaalsContact C-N 3.31Å; F118-G120 PolarHBondContact O-N 3.43Å; G120-L124 VanDerWaalsContact O-CB 3.31Å; G120-L124 WeakPolarHBondContact O-CB 3.22Å; G120-L124 PolarHBondContact O-N 3.04Å
121L85.9Confident88.8Confident82 Ų8275.6 Ų75.643%0.42940%0.403SS..Hα-helixtrans-66-43.4175.5-73.2173.1000112.2M117 F118 I119 L123 L124 C125M117-L121 WeakPolarHBondContact O-CG 3.47Å; M117-L121 PolarHBondContact O-N 3.15Å; F118-L121 PolarHBondContact O-N 3.28Å; I119-L121 VanDerWaalsContact C-N 3.35Å; I119-L121 PolarHBondContact O-N 3.47Å; L121-L123 VanDerWaalsContact C-N 3.34Å; L121-L123 PolarHBondContact O-N 2.86Å; L121-L124 PolarHBondContact O-N 3.5Å; L121-C125 PolarHBondContact O-N 2.91Å; L121-C125 PolarHBondContact O-SG 3.39Å; L121-C125 VanDerWaalsContact O-SG 3.35Å
122A88Confident88.9Confident46 Ų4674 Ų7438%0.3840%0.4SS..Hα-helixtrans-59.4-45.1177.200000112F118 I119 C125 D126F118-A122 PolarHBondContact O-N 3Å; I119-A122 PolarHBondContact O-N 3Å; A122-C125 PolarHBondContact O-N 3.38Å; A122-D126 PolarHBondContact O-N 3.08Å; A122-D126 VanDerWaalsContact O-N 3.13Å
123L87.8Confident89Confident30 Ų3073.6 Ų73.616%0.15740%0.397CS..Hα-helixtrans-65.6-39.5175.5-68.9174.5000112.2L12 L13 I119 L121 C125 D126 D127L12-L123 HydrophobicContact CD2-CD2 3.62Å; L12-L123 HydrophobicContact CG-CD2 4.26Å; L13-L123 HydrophobicContact CD2-CD1 4.41Å; I119-L123 HydrophobicContact CG2-CD1 3.91Å; I119-L123 HydrophobicContact CG2-CG 4.28Å; I119-L123 WeakPolarHBondContact O-CG 3.2Å; I119-L123 PolarHBondContact O-N 2.87Å; L121-L123 VanDerWaalsContact C-N 3.34Å; L121-L123 PolarHBondContact O-N 2.86Å; L123-C125 VanDerWaalsContact C-N 3.33Å; L123-C125 PolarHBondContact O-N 3.03Å; L123-D126 PolarHBondContact O-N 3.1Å; L123-D127 WeakPolarHBondContact O-CB 3.45Å; L123-D127 PolarHBondContact O-N 3.33Å
124L89.7Confident89Confident93 Ų9374.8 Ų74.849%0.48740%0.397SS..Iπ-helixtrans-61.9-43.1177.7-175.567.9000111.2G120 L121 Y128 F129G120-L124 VanDerWaalsContact O-CB 3.31Å; G120-L124 WeakPolarHBondContact O-CB 3.22Å; G120-L124 PolarHBondContact O-N 3.04Å; L121-L124 PolarHBondContact O-N 3.5Å; L124-Y128 HydrophobicContact CD1-CD2 4.25Å; L124-Y128 HydrophobicContact CD1-CG 4.3Å; L124-Y128 WeakPolarHBondContact O-CB 3.08Å; L124-Y128 PolarHBondContact O-N 3.1Å; L124-F129 WeakPolarHBondContact O-CB 2.95Å; L124-F129 PolarHBondContact O-N 3.27Å
125C88.7Confident89.1Confident61 Ų6179.2 Ų79.241%0.41240%0.402SS..Iπ-helixtrans-61.7-52.5177-70.90000111.7L121 A122 L123 F129 I130L121-C125 PolarHBondContact O-N 2.91Å; L121-C125 PolarHBondContact O-SG 3.39Å; L121-C125 VanDerWaalsContact O-SG 3.35Å; A122-C125 PolarHBondContact O-N 3.38Å; L123-C125 VanDerWaalsContact C-N 3.33Å; L123-C125 PolarHBondContact O-N 3.03Å; C125-F129 WeakPolarHBondContact O-CB 3.38Å; C125-I130 WeakPolarHBondContact O-CG1 3.36Å; C125-I130 PolarHBondContact O-N 3.44Å
126D85.3Confident89.1Confident117 Ų11779 Ų7963%0.62640%0.401SS*.Iπ-helixtrans-75.2-44.2-173.4-75-13.9000113.8A122 L123A122-D126 PolarHBondContact O-N 3.08Å; A122-D126 VanDerWaalsContact O-N 3.13Å; L123-D126 PolarHBondContact O-N 3.1Å
127D86.9Confident89.2Confident34 Ų3474.5 Ų74.518%0.18238%0.384CS..Iπ-helixtrans-90.7-26.2-169.6-75.3-22.5000113.7R9 L123R9-D127 IonicContact CZ-OD1 3.93Å; R9-D127 IonicContact NE-OD1 3.1Å; R9-D127 PolarHBondContact NE-OD1 2.99Å; R9-D127 IonicContact NE-OD2 2.65Å; R9-D127 IonicContact NH2-OD1 3.81Å; R9-D127 PolarHBondContact NH2-OD1 3.43Å; L123-D127 WeakPolarHBondContact O-CB 3.45Å; L123-D127 PolarHBondContact O-N 3.33Å
128Y89.4Confident89.1Confident134 Ų13475.2 Ų75.253%0.52538%0.384SS..Iπ-helixtrans-119.5-50.2-174.1-63.2-90.3000112.8L124 P131 C132L124-Y128 HydrophobicContact CD1-CD2 4.25Å; L124-Y128 HydrophobicContact CD1-CG 4.3Å; L124-Y128 WeakPolarHBondContact O-CB 3.08Å; L124-Y128 PolarHBondContact O-N 3.1Å; Y128-P131 WeakPolarHBondContact O-CD 3.17Å; Y128-C132 VanDerWaalsContact O-CB 3.27Å; Y128-C132 WeakPolarHBondContact O-CB 3.4Å; Y128-C132 PolarHBondContact O-N 3.42Å; Y128-C132 PolarHBondContact O-SG 2.81Å
129F89.9Confident89.3Confident58 Ų5873.3 Ų73.325%0.25439%0.385SS..Iπ-helixtrans-64.5-52.8-173.1179.7-117000112.2L124 C125 C132 L133 M152L124-F129 WeakPolarHBondContact O-CB 2.95Å; L124-F129 PolarHBondContact O-N 3.27Å; C125-F129 WeakPolarHBondContact O-CB 3.38Å; F129-C132 WeakPolarHBondContact O-CB 3.39Å; F129-C132 PolarHBondContact O-N 2.65Å; F129-L133 HydrophobicContact CD1-CD1 4.39Å; F129-L133 HydrophobicContact CE1-CD1 3.82Å; F129-L133 HydrophobicContact CE1-CG 4.48Å; F129-L133 HydrophobicContact CE2-CD1 4.27Å; F129-L133 HydrophobicContact CE2-CD2 4.02Å; F129-L133 HydrophobicContact CE2-CG 4.21Å; F129-L133 HydrophobicContact CZ-CD1 3.75Å; F129-L133 HydrophobicContact CZ-CD2 4.24Å; F129-L133 HydrophobicContact CZ-CG 4.2Å; F129-L133 WeakPolarHBondContact O-CG 3.48Å; F129-L133 PolarHBondContact O-N 2.91Å; F129-M152 HydrophobicContact CE1-CG 4.28Å
130I91.6Very high89.5Confident65 Ų6574.2 Ų74.233%0.33339%0.39SS..Hα-helixtrans-60.3-48.2-179.8-58.8-57000112.4C125 C132 L133 E134C125-I130 WeakPolarHBondContact O-CG1 3.36Å; C125-I130 PolarHBondContact O-N 3.44Å; I130-C132 VanDerWaalsContact C-N 3.3Å; I130-C132 PolarHBondContact O-N 2.99Å; I130-L133 WeakPolarHBondContact O-CB 3.49Å; I130-L133 PolarHBondContact O-N 3.47Å; I130-L133 VanDerWaalsContact O-N 3.13Å; I130-E134 PolarHBondContact O-N 3.23Å; I130-E134 VanDerWaalsContact O-N 3.08Å
131P90.4Very high89.6Confident50 Ų5080.8 Ų80.833%0.32541%0.412SS..Hα-helixtrans-62.3-33.6175.4-26.437000114.1Y128 E134 R135Y128-P131 WeakPolarHBondContact O-CD 3.17Å; P131-E134 PolarHBondContact O-N 2.96Å; P131-R135 WeakPolarHBondContact O-CG 3.13Å; P131-R135 PolarHBondContact O-N 3.48Å; P131-R135 VanDerWaalsContact O-N 3.14Å
132C91Very high89.7Confident72 Ų7281.2 Ų81.249%0.48641%0.414SS..Hα-helixtrans-63.2-43.3173.2-76.50000111.2Y128 F129 I130 E134 R135 I136Y128-C132 VanDerWaalsContact O-CB 3.27Å; Y128-C132 WeakPolarHBondContact O-CB 3.4Å; Y128-C132 PolarHBondContact O-N 3.42Å; Y128-C132 PolarHBondContact O-SG 2.81Å; F129-C132 WeakPolarHBondContact O-CB 3.39Å; F129-C132 PolarHBondContact O-N 2.65Å; I130-C132 VanDerWaalsContact C-N 3.3Å; I130-C132 PolarHBondContact O-N 2.99Å; C132-E134 PolarHBondContact O-N 3.37Å; C132-R135 PolarHBondContact O-N 2.86Å; C132-I136 VanDerWaalsContact O-CG1 3.3Å; C132-I136 WeakPolarHBondContact O-CG1 3.26Å; C132-I136 PolarHBondContact O-N 3.35Å
133L91.7Very high89.7Confident14 Ų1485.1 Ų85.17%0.07342%0.424CS..Hα-helixtrans-60.5-43.8175.5-64.4-170.4000111.7F129 I130 R135 I136 C137 F151 M152F129-L133 HydrophobicContact CD1-CD1 4.39Å; F129-L133 HydrophobicContact CE1-CD1 3.82Å; F129-L133 HydrophobicContact CE1-CG 4.48Å; F129-L133 HydrophobicContact CE2-CD1 4.27Å; F129-L133 HydrophobicContact CE2-CD2 4.02Å; F129-L133 HydrophobicContact CE2-CG 4.21Å; F129-L133 HydrophobicContact CZ-CD1 3.75Å; F129-L133 HydrophobicContact CZ-CD2 4.24Å; F129-L133 HydrophobicContact CZ-CG 4.2Å; F129-L133 WeakPolarHBondContact O-CG 3.48Å; F129-L133 PolarHBondContact O-N 2.91Å; I130-L133 WeakPolarHBondContact O-CB 3.49Å; I130-L133 PolarHBondContact O-N 3.47Å; I130-L133 VanDerWaalsContact O-N 3.13Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 3.13Å; L133-I136 PolarHBondContact O-N 3.4Å; L133-C137 PolarHBondContact O-N 3.35Å; L133-C137 PolarHBondContact O-SG 3.49Å; L133-F151 HydrophobicContact CD1-CB 4.17Å; L133-F151 HydrophobicContact CD2-CB 3.48Å; L133-F151 VanDerWaalsContact CD2-CB 3.48Å; L133-F151 HydrophobicContact CD2-CG 4.21Å; L133-F151 HydrophobicContact CG-CB 4.44Å; L133-M152 HydrophobicContact CD1-CB 4.19Å
134E89.4Confident89.6Confident101 Ų10187.4 Ų87.447%0.47244%0.441SS..Hα-helixtrans-59.9-37.6176.6-69.1179.9-171.100112.7I130 P131 C132 K138I130-E134 PolarHBondContact O-N 3.23Å; I130-E134 VanDerWaalsContact O-N 3.08Å; P131-E134 PolarHBondContact O-N 2.96Å; C132-E134 PolarHBondContact O-N 3.37Å; E134-K138 VanDerWaalsContact O-CG 3.31Å; E134-K138 WeakPolarHBondContact O-CG 3.34Å; E134-K138 PolarHBondContact O-N 3.41Å; E134-K138 VanDerWaalsContact O-N 3.13Å
135R90.7Very high89.5Confident171 Ų17188.6 Ų88.665%0.64545%0.448SS*.Hα-helixtrans-69.7-42.8176.9-70.9-63.9-175.7178.81.6112P131 C132 L133 C137 K138 V139P131-R135 WeakPolarHBondContact O-CG 3.13Å; P131-R135 PolarHBondContact O-N 3.48Å; P131-R135 VanDerWaalsContact O-N 3.14Å; C132-R135 PolarHBondContact O-N 2.86Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 3.13Å; R135-C137 VanDerWaalsContact C-N 3.34Å; R135-K138 PolarHBondContact O-N 3Å; R135-V139 WeakPolarHBondContact O-CG2 3.16Å; R135-V139 PolarHBondContact O-N 2.91Å; R135-V139 VanDerWaalsContact O-N 3.1Å
136I91.3Very high89.5Confident67 Ų6790.2 Ų90.234%0.34446%0.455SS..Hα-helixtrans-60.3-46.5175.5-67.9165.9000109.7C132 L133 K138 V139 L140 F151C132-I136 VanDerWaalsContact O-CG1 3.3Å; C132-I136 WeakPolarHBondContact O-CG1 3.26Å; C132-I136 PolarHBondContact O-N 3.35Å; L133-I136 PolarHBondContact O-N 3.4Å; I136-K138 VanDerWaalsContact C-N 3.3Å; I136-K138 PolarHBondContact O-N 2.92Å; I136-V139 PolarHBondContact O-N 3.49Å; I136-V139 VanDerWaalsContact O-N 3.15Å; I136-L140 HydrophobicContact CG2-CD1 3.8Å; I136-L140 HydrophobicContact CG2-CD2 4.5Å; I136-L140 VanDerWaalsContact O-CD1 3.28Å; I136-L140 WeakPolarHBondContact O-CD1 3.43Å; I136-L140 PolarHBondContact O-N 3.13Å; I136-F151 HydrophobicContact CG2-CE2 4.14Å
137C91.2Very high89.6Confident5 Ų584.9 Ų84.93%0.03443%0.427CS..Hα-helixtrans-59.2-40.1178.1-62.90000112.5L133 R135 H141 L142 P144 A147L133-C137 PolarHBondContact O-N 3.35Å; L133-C137 PolarHBondContact O-SG 3.49Å; R135-C137 VanDerWaalsContact C-N 3.34Å; C137-H141 PolarHBondContact O-N 2.65Å; C137-H141 VanDerWaalsContact O-N 3.1Å; C137-L142 PolarHBondContact O-N 2.85Å; C137-P144 HydrophobicContact CB-CB 4.5Å; C137-A147 WeakPolarHBondContact SG-CB 3.29Å
138K89Confident89.7Confident125 Ų12584 Ų8454%0.54343%0.427SS..Hα-helixtrans-64.6-39.3176.4-75.5170.8-176169.20112.8E134 R135 I136E134-K138 VanDerWaalsContact O-CG 3.31Å; E134-K138 WeakPolarHBondContact O-CG 3.34Å; E134-K138 PolarHBondContact O-N 3.41Å; E134-K138 VanDerWaalsContact O-N 3.13Å; R135-K138 PolarHBondContact O-N 3Å; I136-K138 VanDerWaalsContact C-N 3.3Å; I136-K138 PolarHBondContact O-N 2.92Å
139V91.8Very high89.7Confident112 Ų11280.5 Ų80.568%0.67943%0.426SS*.Hα-helixtrans-74-40.9179.4174.50000111.2R135 I136 H141R135-V139 WeakPolarHBondContact O-CG2 3.16Å; R135-V139 PolarHBondContact O-N 2.91Å; R135-V139 VanDerWaalsContact O-N 3.1Å; I136-V139 PolarHBondContact O-N 3.49Å; I136-V139 VanDerWaalsContact O-N 3.15Å; V139-H141 PolarHBondContact O-N 3.18Å; V139-H141 PolarHBondContact O-ND1 3.43Å
140L91.1Very high89.7Confident88 Ų8882.1 Ų82.146%0.46144%0.44SS..Hα-helixtrans-76.9-4.6179.4-85.173.2000113.4I136 L142I136-L140 HydrophobicContact CG2-CD1 3.8Å; I136-L140 HydrophobicContact CG2-CD2 4.5Å; I136-L140 VanDerWaalsContact O-CD1 3.28Å; I136-L140 WeakPolarHBondContact O-CD1 3.43Å; I136-L140 PolarHBondContact O-N 3.13Å; L140-L142 HydrophobicContact CB-CD1 4.15Å; L140-L142 HydrophobicContact CB-CG 4.01Å; L140-L142 HydrophobicContact CD2-CD1 4.05Å; L140-L142 PolarHBondContact O-N 3.24Å
141H90.5Very high89.7Confident172 Ų17282.8 Ų82.880%0.79644%0.441SS*.THydrogen-bonded Turntrans53.230.8-174.3-61.584.9000113.4C137 V139C137-H141 PolarHBondContact O-N 2.65Å; C137-H141 VanDerWaalsContact O-N 3.1Å; V139-H141 PolarHBondContact O-N 3.18Å; V139-H141 PolarHBondContact O-ND1 3.43Å
142L88.1Confident89.7Confident90 Ų9085.2 Ų85.247%0.47145%0.449SS..  trans-94.3153.1176.8-66.7179000110.6C137 L140 P144 A147C137-L142 PolarHBondContact O-N 2.85Å; L140-L142 HydrophobicContact CB-CD1 4.15Å; L140-L142 HydrophobicContact CB-CG 4.01Å; L140-L142 HydrophobicContact CD2-CD1 4.05Å; L140-L142 PolarHBondContact O-N 3.24Å; L142-P144 WeakPolarHBondContact O-CD 3.3Å; L142-A147 HydrophobicContact CB-CB 3.87Å; L142-A147 HydrophobicContact CD1-CB 4.07Å
143Q88.2Confident89.6Confident128 Ų12884.1 Ų84.160%0.59845%0.445SS*.  trans-61.8124.9173.4-168152.54.900109.3D145 V146 A147Q143-D145 PolarHBondContact O-N 2.89Å; Q143-D145 VanDerWaalsContact O-N 3.11Å; Q143-V146 HydrophobicContact CB-CG2 4.35Å; Q143-V146 PolarHBondContact O-N 3.23Å; Q143-V146 VanDerWaalsContact O-N 3.16Å; Q143-A147 PolarHBondContact O-N 3.4Å; Q143-A147 VanDerWaalsContact O-N 3.11Å
144P86.7Confident89.5Confident78 Ų7886.5 Ų86.551%0.50647%0.467SS..Hα-helixtrans-55.5-33.2-174.3-2835000113.6C137 L142 G148C137-P144 HydrophobicContact CB-CB 4.5Å; L142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-G148 WeakPolarHBondContact O-CA 3.11Å; P144-G148 PolarHBondContact O-N 3.36Å
145D87.3Confident89.5Confident119 Ų11982.8 Ų82.864%0.63646%0.456SS*.Hα-helixtrans-70.5-42.5-177.9-52.3-38.1000112Q143 A149Q143-D145 PolarHBondContact O-N 2.89Å; Q143-D145 VanDerWaalsContact O-N 3.11Å; D145-A149 VanDerWaalsContact O-CB 3.28Å; D145-A149 WeakPolarHBondContact O-CB 3.17Å; D145-A149 PolarHBondContact O-N 3.02Å
146V87.8Confident89.2Confident94 Ų9477.2 Ų77.257%0.5744%0.443SS*.Hα-helixtrans-76.8-46-176.1-177.90000111Q143 G148 A149 T150Q143-V146 HydrophobicContact CB-CG2 4.35Å; Q143-V146 PolarHBondContact O-N 3.23Å; Q143-V146 VanDerWaalsContact O-N 3.16Å; V146-G148 VanDerWaalsContact C-N 3.35Å; V146-A149 PolarHBondContact O-N 3.13Å; V146-T150 PolarHBondContact O-N 3.47Å; V146-T150 PolarHBondContact O-OG1 3.19Å
147A88.3Confident89.1Confident5 Ų576.7 Ų76.74%0.04145%0.445CS..Hα-helixtrans-67.2-40.1175.200000110.7C137 L142 Q143 T150 F151C137-A147 WeakPolarHBondContact SG-CB 3.29Å; L142-A147 HydrophobicContact CB-CB 3.87Å; L142-A147 HydrophobicContact CD1-CB 4.07Å; Q143-A147 PolarHBondContact O-N 3.4Å; Q143-A147 VanDerWaalsContact O-N 3.11Å; A147-T150 PolarHBondContact O-N 3.02Å; A147-F151 HydrophobicContact CB-CD2 4.29Å; A147-F151 HydrophobicContact CB-CE2 4.35Å; A147-F151 WeakPolarHBondContact O-CB 3.46Å; A147-F151 WeakPolarHBondContact O-CD2 3.4Å; A147-F151 PolarHBondContact O-N 2.97Å
148G89.4Confident89Confident16 Ų1679 Ų7917%0.16547%0.465CS..Hα-helixtrans-58.7-47.7173.500000112.1P144 V146 T150 F151 M152P144-G148 WeakPolarHBondContact O-CA 3.11Å; P144-G148 PolarHBondContact O-N 3.36Å; V146-G148 VanDerWaalsContact C-N 3.35Å; G148-T150 VanDerWaalsContact C-N 3.3Å; G148-T150 PolarHBondContact O-N 2.62Å; G148-F151 PolarHBondContact O-N 3.41Å; G148-M152 WeakPolarHBondContact O-CA 3.46Å; G148-M152 WeakPolarHBondContact O-CB 3.36Å; G148-M152 PolarHBondContact O-N 3.43Å
149A89.4Confident89Confident61 Ų6176 Ų7650%0.50446%0.458SS..Hα-helixtrans-56.7-43.8176.700000112.2D145 V146 A153D145-A149 VanDerWaalsContact O-CB 3.28Å; D145-A149 WeakPolarHBondContact O-CB 3.17Å; D145-A149 PolarHBondContact O-N 3.02Å; V146-A149 PolarHBondContact O-N 3.13Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.32Å; A149-A153 PolarHBondContact O-N 3.12Å; A149-A153 VanDerWaalsContact O-N 3.1Å
150T89.6Confident88.7Confident91 Ų9172.6 Ų72.656%0.55844%0.435SS*.Hα-helixtrans-71.2-49.6-177.8-49.30000111.9V146 A147 G148 A153 A154V146-T150 PolarHBondContact O-N 3.47Å; V146-T150 PolarHBondContact O-OG1 3.19Å; A147-T150 PolarHBondContact O-N 3.02Å; G148-T150 VanDerWaalsContact C-N 3.3Å; G148-T150 PolarHBondContact O-N 2.62Å; T150-A153 PolarHBondContact O-N 2.88Å; T150-A154 PolarHBondContact O-N 2.96Å
151F91Very high88.6Confident80 Ų8073.2 Ų73.235%0.35144%0.438SS..Hα-helixtrans-74.3-31.9-178.3-70.9-61.6000112.8L133 I136 A147 G148 A154 G155L133-F151 HydrophobicContact CD1-CB 4.17Å; L133-F151 HydrophobicContact CD2-CB 3.48Å; L133-F151 VanDerWaalsContact CD2-CB 3.48Å; L133-F151 HydrophobicContact CD2-CG 4.21Å; L133-F151 HydrophobicContact CG-CB 4.44Å; I136-F151 HydrophobicContact CG2-CE2 4.14Å; A147-F151 HydrophobicContact CB-CD2 4.29Å; A147-F151 HydrophobicContact CB-CE2 4.35Å; A147-F151 WeakPolarHBondContact O-CB 3.46Å; A147-F151 WeakPolarHBondContact O-CD2 3.4Å; A147-F151 PolarHBondContact O-N 2.97Å; G148-F151 PolarHBondContact O-N 3.41Å; F151-A154 PolarHBondContact O-N 3.38Å; F151-G155 PolarHBondContact O-N 3.02Å
152M90.4Very high88.6Confident101 Ų10167.5 Ų67.550%0.49842%0.421SS..Hα-helixtrans-66-44.2173.5-170.8178.183.100110.5F129 L133 G148 G155 S156F129-M152 HydrophobicContact CE1-CG 4.28Å; L133-M152 HydrophobicContact CD1-CB 4.19Å; G148-M152 WeakPolarHBondContact O-CA 3.46Å; G148-M152 WeakPolarHBondContact O-CB 3.36Å; G148-M152 PolarHBondContact O-N 3.43Å; M152-G155 PolarHBondContact O-N 3.12Å; M152-S156 WeakPolarHBondContact O-CB 3.49Å; M152-S156 PolarHBondContact O-N 3.33Å; M152-S156 PolarHBondContact O-OG 3.06Å
153A89.8Confident88.5Confident49 Ų4967 Ų6741%0.40542%0.422SS..Hα-helixtrans-56-53.7172.600000110.5A149 T150 G155 S156 S157A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.32Å; A149-A153 PolarHBondContact O-N 3.12Å; A149-A153 VanDerWaalsContact O-N 3.1Å; T150-A153 PolarHBondContact O-N 2.88Å; A153-G155 VanDerWaalsContact C-N 3.34Å; A153-G155 PolarHBondContact O-N 3.2Å; A153-S156 PolarHBondContact O-N 2.91Å; A153-S156 PolarHBondContact O-OG 3.29Å; A153-S157 PolarHBondContact O-N 3.01Å; A153-S157 PolarHBondContact O-OG 3.34Å; A153-S157 VanDerWaalsContact O-OG 3.07Å
154A89.5Confident88.5Confident63 Ų6362.1 Ų62.152%0.52140%0.401SS..Hα-helixtrans-58-41.1178.600000113.6T150 F151 A158T150-A154 PolarHBondContact O-N 2.96Å; F151-A154 PolarHBondContact O-N 3.38Å; A154-A158 PolarHBondContact O-N 2.96Å
155G89.2Confident88.6Confident24 Ų2462.1 Ų62.125%0.24740%0.396CS..Hα-helixtrans-69.4-40.7178.600000113F151 M152 A153 S157 A158 P159F151-G155 PolarHBondContact O-N 3.02Å; M152-G155 PolarHBondContact O-N 3.12Å; A153-G155 VanDerWaalsContact C-N 3.34Å; A153-G155 PolarHBondContact O-N 3.2Å; G155-S157 VanDerWaalsContact C-N 3.3Å; G155-S157 PolarHBondContact O-N 3.19Å; G155-A158 PolarHBondContact O-N 2.93Å; G155-P159 VanDerWaalsContact O-CD 3.25Å; G155-P159 WeakPolarHBondContact O-CD 3.34Å
156S84.4Confident88.6Confident54 Ų5460.6 Ų60.638%0.37839%0.39SS..Hα-helixtrans-67.2-30.317768.40000113M152 A153 A158 P159M152-S156 WeakPolarHBondContact O-CB 3.49Å; M152-S156 PolarHBondContact O-N 3.33Å; M152-S156 PolarHBondContact O-OG 3.06Å; A153-S156 PolarHBondContact O-N 2.91Å; A153-S156 PolarHBondContact O-OG 3.29Å; S156-A158 VanDerWaalsContact C-N 3.35Å; S156-P159 WeakPolarHBondContact O-CD 3.36Å
157S88.9Confident88.5Confident55 Ų5556.5 Ų56.539%0.38537%0.367SS..Hα-helixtrans-78-15.2176.3-55.90000113.7A153 G155 E160 L161A153-S157 PolarHBondContact O-N 3.01Å; A153-S157 PolarHBondContact O-OG 3.34Å; A153-S157 VanDerWaalsContact O-OG 3.07Å; G155-S157 VanDerWaalsContact C-N 3.3Å; G155-S157 PolarHBondContact O-N 3.19Å; S157-E160 PolarHBondContact O-N 3.43Å; S157-L161 WeakPolarHBondContact O-CB 3.38Å; S157-L161 PolarHBondContact O-N 3.45Å
158A89.8Confident88.3Confident54 Ų5459.9 Ų59.945%0.44639%0.387SS..Hα-helixtrans-65.7-44.6-178.800000113.3A154 G155 S156 E160 L161 A162A154-A158 PolarHBondContact O-N 2.96Å; G155-A158 PolarHBondContact O-N 2.93Å; S156-A158 VanDerWaalsContact C-N 3.35Å; A158-E160 VanDerWaalsContact C-N 3.34Å; A158-E160 PolarHBondContact O-N 2.85Å; A158-L161 PolarHBondContact O-N 2.91Å; A158-A162 PolarHBondContact O-N 2.77Å
159P87.2Confident88.1Confident63 Ų6365.9 Ų65.941%0.40941%0.409SS..Hα-helixtrans-57.3-42.3169.1-26.533.9000113.7G155 S156 A162 T163G155-P159 VanDerWaalsContact O-CD 3.25Å; G155-P159 WeakPolarHBondContact O-CD 3.34Å; S156-P159 WeakPolarHBondContact O-CD 3.36Å; P159-A162 PolarHBondContact O-N 2.97Å; P159-T163 WeakPolarHBondContact O-CG2 3.39Å; P159-T163 PolarHBondContact O-N 2.94Å; P159-T163 PolarHBondContact O-OG1 3.33Å
160E86.3Confident87.7Confident39 Ų3967 Ų6718%0.18241%0.406CS..Hα-helixtrans-64.7-41.6178.4-63.1174-178.300111.2S157 A158 A162 T163 T164 N187S157-E160 PolarHBondContact O-N 3.43Å; A158-E160 VanDerWaalsContact C-N 3.34Å; A158-E160 PolarHBondContact O-N 2.85Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-A162 PolarHBondContact O-N 3.04Å; E160-T163 PolarHBondContact O-N 3.14Å; E160-T163 PolarHBondContact O-OG1 3.29Å; E160-T164 WeakPolarHBondContact O-CB 3.28Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.46Å; E160-N187 PolarHBondContact OE1-ND2 2.99Å
161L89.4Confident87.1Confident101 Ų10162.8 Ų62.853%0.52938%0.38SS..Hα-helixtrans-61.5-43.8173.4-179.863.1000110.8S157 A158 T164 L165S157-L161 WeakPolarHBondContact O-CB 3.38Å; S157-L161 PolarHBondContact O-N 3.45Å; A158-L161 PolarHBondContact O-N 2.91Å; L161-T164 PolarHBondContact O-N 3.43Å; L161-L165 HydrophobicContact CD1-CD1 4.14Å; L161-L165 HydrophobicContact CD1-CG 4.1Å; L161-L165 HydrophobicContact CG-CD1 3.86Å; L161-L165 HydrophobicContact CG-CG 4.27Å; L161-L165 WeakPolarHBondContact O-CB 3.4Å; L161-L165 WeakPolarHBondContact O-CG 3.32Å; L161-L165 PolarHBondContact O-N 2.87Å
162A89.1Confident86.4Confident53 Ų5367.2 Ų67.244%0.43840%0.399SS..Hα-helixtrans-62.4-44.6179.100000112.3A158 P159 E160 T164 L165 V166A158-A162 PolarHBondContact O-N 2.77Å; P159-A162 PolarHBondContact O-N 2.97Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-A162 PolarHBondContact O-N 3.04Å; A162-T164 VanDerWaalsContact C-N 3.34Å; A162-L165 PolarHBondContact O-N 3.36Å; A162-V166 WeakPolarHBondContact O-CG2 3.31Å; A162-V166 PolarHBondContact O-N 2.95Å
163T86.6Confident85.6Confident79 Ų7964.2 Ų64.249%0.48539%0.385SS..Hα-helixtrans-65.5-39.7177.556.50000111.6P159 E160 V166 G167P159-T163 WeakPolarHBondContact O-CG2 3.39Å; P159-T163 PolarHBondContact O-N 2.94Å; P159-T163 PolarHBondContact O-OG1 3.33Å; E160-T163 PolarHBondContact O-N 3.14Å; E160-T163 PolarHBondContact O-OG1 3.29Å; T163-V166 PolarHBondContact O-N 3.32Å; T163-G167 PolarHBondContact O-N 2.82Å
164T87.7Confident85Confident26 Ų2669 Ų6916%0.1640%0.404CS..Hα-helixtrans-62.6-46.9175.6-52.10000111.8E160 L161 A162 V166 G167 V168 V180E160-T164 WeakPolarHBondContact O-CB 3.28Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.46Å; L161-T164 PolarHBondContact O-N 3.43Å; A162-T164 VanDerWaalsContact C-N 3.34Å; T164-V166 VanDerWaalsContact C-N 3.29Å; T164-V166 PolarHBondContact O-N 3.3Å; T164-G167 PolarHBondContact O-N 3.39Å; T164-G167 VanDerWaalsContact O-N 3.13Å; T164-V168 HydrophobicContact CG2-CG2 4.17Å; T164-V168 WeakPolarHBondContact O-CG2 3.31Å; T164-V168 PolarHBondContact O-N 2.91Å; T164-V180 HydrophobicContact CG2-CG2 3.32Å; T164-V180 WeakPolarHBondContact OG1-CG2 3.47Å
165L89.6Confident84.6Confident78 Ų7870.2 Ų70.241%0.40840%0.401SS..Hα-helixtrans-61.1-41.1178.8-71.6170000110.9L161 A162 F169L161-L165 HydrophobicContact CD1-CD1 4.14Å; L161-L165 HydrophobicContact CD1-CG 4.1Å; L161-L165 HydrophobicContact CG-CD1 3.86Å; L161-L165 HydrophobicContact CG-CG 4.27Å; L161-L165 WeakPolarHBondContact O-CB 3.4Å; L161-L165 WeakPolarHBondContact O-CG 3.32Å; L161-L165 PolarHBondContact O-N 2.87Å; A162-L165 PolarHBondContact O-N 3.36Å; L165-F169 HydrophobicContact CB-CD2 4.35Å; L165-F169 HydrophobicContact CD2-CD2 4.15Å; L165-F169 HydrophobicContact CD2-CE2 3.71Å; L165-F169 WeakPolarHBondContact O-CB 3.22Å; L165-F169 WeakPolarHBondContact O-CD2 3.48Å; L165-F169 PolarHBondContact O-N 3.24Å
166V87.5Confident84.2Confident86 Ų8669.2 Ų69.252%0.52139%0.39SS..Hα-helixtrans-64.5-42.6174.3173.10000111A162 T163 T164 I170A162-V166 WeakPolarHBondContact O-CG2 3.31Å; A162-V166 PolarHBondContact O-N 2.95Å; T163-V166 PolarHBondContact O-N 3.32Å; T164-V166 VanDerWaalsContact C-N 3.29Å; T164-V166 PolarHBondContact O-N 3.3Å; V166-I170 HydrophobicContact CG1-CB 4.46Å; V166-I170 HydrophobicContact CG1-CG1 4.09Å; V166-I170 WeakPolarHBondContact O-CA 3.34Å; V166-I170 WeakPolarHBondContact O-CB 3.44Å; V166-I170 WeakPolarHBondContact O-CG1 3.47Å; V166-I170 PolarHBondContact O-N 3.36Å
167G84.8Confident84.2Confident8 Ų869.7 Ų69.78%0.08239%0.388CS..Iπ-helixtrans-60.9-47.2175.700000112.9T163 T164 A171 K172T163-G167 PolarHBondContact O-N 2.82Å; T164-G167 PolarHBondContact O-N 3.39Å; T164-G167 VanDerWaalsContact O-N 3.13Å; G167-A171 CarbonylContact O-C 3.57Å; G167-A171 WeakPolarHBondContact O-CA 3Å; G167-A171 VanDerWaalsContact O-CB 3.29Å; G167-A171 WeakPolarHBondContact O-CB 3.49Å; G167-A171 PolarHBondContact O-N 3.46Å; G167-K172 PolarHBondContact O-N 2.98Å; G167-K172 VanDerWaalsContact O-N 3.12Å
168V84.4Confident84.1Confident76 Ų7669.3 Ų69.346%0.46139%0.394SS..Iπ-helixtrans-73.1-45.8-177173.90000111.9T164 K172T164-V168 HydrophobicContact CG2-CG2 4.17Å; T164-V168 WeakPolarHBondContact O-CG2 3.31Å; T164-V168 PolarHBondContact O-N 2.91Å; V168-K172 VanDerWaalsContact O-CA 3.3Å; V168-K172 WeakPolarHBondContact O-CA 3.29Å; V168-K172 PolarHBondContact O-N 3.39Å
169F85.2Confident83.8Confident143 Ų14368.9 Ų68.963%0.62739%0.39SS*.Iπ-helixtrans-81.8-37.4-175.3-75.8-62.3000113.8L165L165-F169 HydrophobicContact CB-CD2 4.35Å; L165-F169 HydrophobicContact CD2-CD2 4.15Å; L165-F169 HydrophobicContact CD2-CE2 3.71Å; L165-F169 WeakPolarHBondContact O-CB 3.22Å; L165-F169 WeakPolarHBondContact O-CD2 3.48Å; L165-F169 PolarHBondContact O-N 3.24Å
170I81Confident83.9Confident85 Ų8567.8 Ų67.844%0.43638%0.382SS..Iπ-helixtrans-91.9-54-174.6-47.2-60.4000110.6P93 V166P93-I170 HydrophobicContact CB-CG2 3.82Å; P93-I170 VanDerWaalsContact CD-CG2 3.48Å; P93-I170 HydrophobicContact CG-CG2 3.65Å; V166-I170 HydrophobicContact CG1-CB 4.46Å; V166-I170 HydrophobicContact CG1-CG1 4.09Å; V166-I170 WeakPolarHBondContact O-CA 3.34Å; V166-I170 WeakPolarHBondContact O-CB 3.44Å; V166-I170 WeakPolarHBondContact O-CG1 3.47Å; V166-I170 PolarHBondContact O-N 3.36Å
171A76.7Confident84Confident2 Ų268.1 Ų68.12%0.01739%0.386CS..Iπ-helixtrans-77.2-23.5179.600000112.5N91 F92 G167 D173N91-A171 WeakPolarHBondContact CB-O 3.39Å; N91-A171 WeakPolarHBondContact O-CA 3.47Å; F92-A171 HydrophobicContact CD1-CB 4.11Å; F92-A171 HydrophobicContact CE1-CB 3.88Å; F92-A171 HydrophobicContact CE2-CB 4.39Å; F92-A171 HydrophobicContact CG-CB 4.47Å; F92-A171 HydrophobicContact CZ-CB 4.03Å; G167-A171 CarbonylContact O-C 3.57Å; G167-A171 WeakPolarHBondContact O-CA 3Å; G167-A171 VanDerWaalsContact O-CB 3.29Å; G167-A171 WeakPolarHBondContact O-CB 3.49Å; G167-A171 PolarHBondContact O-N 3.46Å; A171-D173 HydrophobicContact CB-CB 4.27Å; A171-D173 PolarHBondContact O-N 3.28Å
172K77.5Confident83.9Confident173 Ų17365.2 Ų65.275%0.75238%0.381SS*.  trans48.933.2-177.7-64.4178179.81530112.8G167 V168G167-K172 PolarHBondContact O-N 2.98Å; G167-K172 VanDerWaalsContact O-N 3.12Å; V168-K172 VanDerWaalsContact O-CA 3.3Å; V168-K172 WeakPolarHBondContact O-CA 3.29Å; V168-K172 PolarHBondContact O-N 3.39Å
173D72.2Confident83.8Confident38 Ų3865.1 Ų65.120%0.20338%0.377CS..SBendtrans-121.9150-174.6-84.5-25.3000109.9N91 A171 I175 G176N91-D173 VanDerWaalsContact CB-OD2 3.28Å; N91-D173 WeakPolarHBondContact CB-OD2 3.47Å; N91-D173 PolarHBondContact ND2-OD1 3.26Å; N91-D173 PolarHBondContact ND2-OD2 3.38Å; A171-D173 HydrophobicContact CB-CB 4.27Å; A171-D173 PolarHBondContact O-N 3.28Å; D173-I175 HydrophobicContact CB-CB 4.28Å; D173-I175 HydrophobicContact CB-CG2 3.63Å; D173-I175 PolarHBondContact O-N 3.49Å; D173-G176 PolarHBondContact O-N 2.77Å
174D77.9Confident83.9Confident150 Ų15062.4 Ų62.480%0.80236%0.363SS*.THydrogen-bonded Turntrans-65.3-7.5175-57.8-34.5000112.8G176 L177 G178D174-G176 PolarHBondContact O-N 2.82Å; D174-L177 WeakPolarHBondContact O-CB 3.35Å; D174-L177 PolarHBondContact O-N 2.77Å; D174-L177 VanDerWaalsContact O-N 3.13Å; D174-G178 PolarHBondContact O-N 3.49Å
175I80.6Confident84Confident87 Ų8763.8 Ų63.845%0.44637%0.369SS..Hα-helixtrans-58.4-29.3171.7-161.1166.3000112.1F92 D173 L177 G178 A179F92-I175 HydrophobicContact CZ-CD1 4.34Å; F92-I175 HydrophobicContact CZ-CG2 4.05Å; D173-I175 HydrophobicContact CB-CB 4.28Å; D173-I175 HydrophobicContact CB-CG2 3.63Å; D173-I175 PolarHBondContact O-N 3.49Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 PolarHBondContact O-N 2.96Å; I175-G178 PolarHBondContact O-N 3.37Å; I175-A179 WeakPolarHBondContact O-CB 3.34Å; I175-A179 PolarHBondContact O-N 3.39Å
176G81.8Confident83.9Confident3 Ų366.4 Ų66.43%0.03138%0.377CS..Hα-helixtrans-61.1-42.1176.100000112D173 D174 A179 V180D173-G176 PolarHBondContact O-N 2.77Å; D174-G176 PolarHBondContact O-N 2.82Å; G176-A179 PolarHBondContact O-N 2.92Å; G176-V180 WeakPolarHBondContact O-CG2 3.33Å; G176-V180 PolarHBondContact O-N 3.5Å; G176-V180 VanDerWaalsContact O-N 3.1Å
177L84.8Confident84Confident64 Ų6465.2 Ų65.234%0.33537%0.368SS..Hα-helixtrans-65.7-45.9178.2179.570.9000111.6D174 I175 A179 V180 V181 L224 I228D174-L177 WeakPolarHBondContact O-CB 3.35Å; D174-L177 PolarHBondContact O-N 2.77Å; D174-L177 VanDerWaalsContact O-N 3.13Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 PolarHBondContact O-N 2.96Å; L177-A179 VanDerWaalsContact C-N 3.27Å; L177-A179 PolarHBondContact O-N 2.96Å; L177-V180 WeakPolarHBondContact O-CB 3.06Å; L177-V180 PolarHBondContact O-N 3.36Å; L177-V180 VanDerWaalsContact O-N 3.1Å; L177-V181 PolarHBondContact O-N 3.34Å; L177-V181 VanDerWaalsContact O-N 3.08Å; L177-L224 HydrophobicContact CD1-CD1 4.28Å; L177-L224 HydrophobicContact CD1-CD2 4.39Å; L177-I228 HydrophobicContact CD1-CD1 4.16Å; L177-I228 HydrophobicContact CD2-CD1 3.44Å; L177-I228 VanDerWaalsContact CD2-CD1 3.44Å; L177-I228 HydrophobicContact CD2-CG1 3.99Å; L177-I228 HydrophobicContact CG-CD1 4.33Å
178G85.3Confident84.2Confident48 Ų4868.7 Ų68.750%0.49538%0.384SS..Hα-helixtrans-61.4-36.9176.500000112.4D174 I175 G182D174-G178 PolarHBondContact O-N 3.49Å; I175-G178 PolarHBondContact O-N 3.37Å; G178-G182 PolarHBondContact O-N 3.49Å
179A85Confident84.5Confident44 Ų4471.3 Ų71.336%0.36439%0.393SS..Hα-helixtrans-64.3-37.5173.500000112.2I175 G176 L177 S183I175-A179 WeakPolarHBondContact O-CB 3.34Å; I175-A179 PolarHBondContact O-N 3.39Å; G176-A179 PolarHBondContact O-N 2.92Å; L177-A179 VanDerWaalsContact C-N 3.27Å; L177-A179 PolarHBondContact O-N 2.96Å; A179-S183 WeakPolarHBondContact O-CB 3.22Å; A179-S183 PolarHBondContact O-N 2.69Å; A179-S183 PolarHBondContact O-OG 3.47Å
180V88.1Confident84.7Confident40 Ų4068.4 Ų68.424%0.24238%0.384CS..Hα-helixtrans-64-57176.4-171.70000110.8T164 G176 L177 G182 S183 A184T164-V180 HydrophobicContact CG2-CG2 3.32Å; T164-V180 WeakPolarHBondContact OG1-CG2 3.47Å; G176-V180 WeakPolarHBondContact O-CG2 3.33Å; G176-V180 PolarHBondContact O-N 3.5Å; G176-V180 VanDerWaalsContact O-N 3.1Å; L177-V180 WeakPolarHBondContact O-CB 3.06Å; L177-V180 PolarHBondContact O-N 3.36Å; L177-V180 VanDerWaalsContact O-N 3.1Å; V180-G182 PolarHBondContact O-N 3.48Å; V180-S183 PolarHBondContact O-N 3.31Å; V180-A184 WeakPolarHBondContact O-CB 3.08Å; V180-A184 PolarHBondContact O-N 2.85Å
181V88.7Confident85.1Confident46 Ų4668.4 Ų68.428%0.27939%0.387SS..Hα-helixtrans-64.4-46.8-173.8179.90000110L177 S183 A184 D185 L224L177-V181 PolarHBondContact O-N 3.34Å; L177-V181 VanDerWaalsContact O-N 3.08Å; V181-S183 PolarHBondContact O-N 3.27Å; V181-A184 PolarHBondContact O-N 2.89Å; V181-D185 PolarHBondContact O-N 3.19Å; V181-L224 HydrophobicContact CG2-CD2 3.73Å
182G87.9Confident85.7Confident40 Ų4072.4 Ų72.441%0.41241%0.411SS..Hα-helixtrans-64.7-36.617900000113.5G178 V180 F186G178-G182 PolarHBondContact O-N 3.49Å; V180-G182 PolarHBondContact O-N 3.48Å; G182-F186 WeakPolarHBondContact O-CB 2.86Å; G182-F186 PolarHBondContact O-N 2.71Å
183S87.5Confident86.4Confident51 Ų5167.2 Ų67.236%0.35740%0.397SS..Hα-helixtrans-70.3-41.5177-59.30000111.6A179 V180 V181 F186 N187A179-S183 WeakPolarHBondContact O-CB 3.22Å; A179-S183 PolarHBondContact O-N 2.69Å; A179-S183 PolarHBondContact O-OG 3.47Å; V180-S183 PolarHBondContact O-N 3.31Å; V181-S183 PolarHBondContact O-N 3.27Å; S183-F186 PolarHBondContact O-N 2.78Å; S183-N187 VanDerWaalsContact O-CB 3.22Å; S183-N187 WeakPolarHBondContact O-CB 3.45Å; S183-N187 PolarHBondContact O-N 2.73Å
184A88.7Confident87.3Confident23 Ų2368.3 Ų68.319%0.1941%0.405CS..Hα-helixtrans-63.4-48.1177.500000111.8V180 V181 F186 N187 I188V180-A184 WeakPolarHBondContact O-CB 3.08Å; V180-A184 PolarHBondContact O-N 2.85Å; V181-A184 PolarHBondContact O-N 2.89Å; A184-F186 PolarHBondContact O-N 2.89Å; A184-N187 PolarHBondContact O-N 2.81Å; A184-I188 PolarHBondContact O-N 2.81Å; A184-I188 VanDerWaalsContact O-N 3.15Å
185D89.5Confident87.7Confident55 Ų5564.5 Ų64.529%0.29439%0.39SS..Hα-helixtrans-60.5-46176.3-76.4-23.7000111.4V181 N187 I188 M189 Y217V181-D185 PolarHBondContact O-N 3.19Å; D185-N187 VanDerWaalsContact C-N 3.33Å; D185-N187 PolarHBondContact O-N 3.32Å; D185-I188 PolarHBondContact O-N 3.42Å; D185-M189 WeakPolarHBondContact O-CB 3.27Å; D185-M189 VanDerWaalsContact O-CG 3.26Å; D185-M189 WeakPolarHBondContact O-CG 3.37Å; D185-M189 PolarHBondContact O-N 2.73Å; D185-Y217 PolarHBondContact OD1-OH 2.8Å
186F87.6Confident88.1Confident132 Ų13263.6 Ų63.658%0.57940%0.395SS*.Hα-helixtrans-62.7-40.5178.4179.6-106.4000112G182 S183 A184 M189 L190G182-F186 WeakPolarHBondContact O-CB 2.86Å; G182-F186 PolarHBondContact O-N 2.71Å; S183-F186 PolarHBondContact O-N 2.78Å; A184-F186 PolarHBondContact O-N 2.89Å; F186-M189 PolarHBondContact O-N 3.39Å; F186-L190 HydrophobicContact CE1-CD2 3.75Å; F186-L190 HydrophobicContact CE2-CB 4.5Å; F186-L190 HydrophobicContact CZ-CB 4.38Å; F186-L190 HydrophobicContact CZ-CD1 4.46Å; F186-L190 HydrophobicContact CZ-CD2 3.74Å; F186-L190 HydrophobicContact CZ-CG 4.42Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 3.22Å
187N88.5Confident88.4Confident61 Ų6170.3 Ų70.333%0.32643%0.43SS..Hα-helixtrans-60.4-50.8179.8-170.8-1.6000110.9E160 S183 A184 D185 V191E160-N187 PolarHBondContact OE1-ND2 2.99Å; S183-N187 VanDerWaalsContact O-CB 3.22Å; S183-N187 WeakPolarHBondContact O-CB 3.45Å; S183-N187 PolarHBondContact O-N 2.73Å; A184-N187 PolarHBondContact O-N 2.81Å; D185-N187 VanDerWaalsContact C-N 3.33Å; D185-N187 PolarHBondContact O-N 3.32Å; N187-V191 WeakPolarHBondContact O-CB 3.34Å; N187-V191 WeakPolarHBondContact O-CG2 3.28Å; N187-V191 PolarHBondContact O-N 3.12Å
188I88.7Confident88.7Confident81 Ų8174.9 Ų74.942%0.41545%0.447SS..Hα-helixtrans-65.8-46.5-179.9-60.1168.5000110.7A184 D185 L190 V192 Y217A184-I188 PolarHBondContact O-N 2.81Å; A184-I188 VanDerWaalsContact O-N 3.15Å; D185-I188 PolarHBondContact O-N 3.42Å; I188-L190 PolarHBondContact O-N 3.46Å; I188-V192 HydrophobicContact CG2-CG2 4.29Å; I188-V192 WeakPolarHBondContact O-CB 3.46Å; I188-V192 VanDerWaalsContact O-CG2 3.24Å; I188-V192 WeakPolarHBondContact O-CG2 3.29Å; I188-V192 PolarHBondContact O-N 3.48Å; I188-Y217 HydrophobicContact CD1-CD2 3.94Å; I188-Y217 HydrophobicContact CD1-CE1 4.19Å; I188-Y217 HydrophobicContact CD1-CE2 3.42Å; I188-Y217 VanDerWaalsContact CD1-CE2 3.42Å
189M90.6Very high88.8Confident132 Ų13274.4 Ų74.465%0.6544%0.439SS*.Hα-helixtrans-61.9-45.7-179.7-73.1-17869.400111.9D185 F186 S193D185-M189 WeakPolarHBondContact O-CB 3.27Å; D185-M189 VanDerWaalsContact O-CG 3.26Å; D185-M189 WeakPolarHBondContact O-CG 3.37Å; D185-M189 PolarHBondContact O-N 2.73Å; F186-M189 PolarHBondContact O-N 3.39Å; M189-S193 WeakPolarHBondContact O-CB 3.4Å; M189-S193 PolarHBondContact O-N 3.36Å; M189-S193 PolarHBondContact O-OG 3.4Å
190L90.1Very high88.8Confident82 Ų8282.6 Ų82.643%0.42947%0.466SS..Hα-helixtrans-67.1-47.1-177.9-17767.8000111.1F186 I188 S193 V194F186-L190 HydrophobicContact CE1-CD2 3.75Å; F186-L190 HydrophobicContact CE2-CB 4.5Å; F186-L190 HydrophobicContact CZ-CB 4.38Å; F186-L190 HydrophobicContact CZ-CD1 4.46Å; F186-L190 HydrophobicContact CZ-CD2 3.74Å; F186-L190 HydrophobicContact CZ-CG 4.42Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 3.22Å; I188-L190 PolarHBondContact O-N 3.46Å; L190-S193 PolarHBondContact O-N 3.43Å; L190-V194 HydrophobicContact CD1-CG2 3.92Å; L190-V194 HydrophobicContact CG-CG2 4.28Å; L190-V194 WeakPolarHBondContact O-CB 3.28Å; L190-V194 VanDerWaalsContact O-CG2 3.26Å; L190-V194 WeakPolarHBondContact O-CG2 3.32Å; L190-V194 PolarHBondContact O-N 2.73Å
191V89.8Confident88.7Confident85 Ų8588.2 Ų88.252%0.51549%0.49SS..Hα-helixtrans-62.4-47.2-179.5172.60000110.8N187 S195N187-V191 WeakPolarHBondContact O-CB 3.34Å; N187-V191 WeakPolarHBondContact O-CG2 3.28Å; N187-V191 PolarHBondContact O-N 3.12Å; V191-S195 WeakPolarHBondContact O-CB 3.29Å; V191-S195 PolarHBondContact O-N 3.33Å; V191-S195 PolarHBondContact O-OG 2.93Å
192V89.9Confident88.5Confident85 Ų8590.9 Ų90.952%0.51551%0.506SS..Hα-helixtrans-63.2-45.2177.7174.50000110.7I188 S195 A196I188-V192 HydrophobicContact CG2-CG2 4.29Å; I188-V192 WeakPolarHBondContact O-CB 3.46Å; I188-V192 VanDerWaalsContact O-CG2 3.24Å; I188-V192 WeakPolarHBondContact O-CG2 3.29Å; I188-V192 PolarHBondContact O-N 3.48Å; V192-S195 WeakPolarHBondContact CA-OG 3.14Å; V192-S195 PolarHBondContact O-N 3Å; V192-S195 PolarHBondContact O-OG 3.32Å; V192-A196 WeakPolarHBondContact O-CB 3.33Å; V192-A196 PolarHBondContact O-N 3.19Å
193S91.8Very high88.3Confident64 Ų6494.4 Ų94.445%0.44851%0.514SS..Hα-helixtrans-63.6-48.4-178.7-60.60000112.3M189 L190 A196 L197M189-S193 WeakPolarHBondContact O-CB 3.4Å; M189-S193 PolarHBondContact O-N 3.36Å; M189-S193 PolarHBondContact O-OG 3.4Å; L190-S193 PolarHBondContact O-N 3.43Å; S193-A196 PolarHBondContact O-N 3.36Å; S193-L197 WeakPolarHBondContact O-CB 3.08Å; S193-L197 VanDerWaalsContact O-CG 3.29Å; S193-L197 WeakPolarHBondContact O-CG 3.18Å; S193-L197 PolarHBondContact O-N 2.72Å
194V90.5Very high88.1Confident61 Ų61101.8 Ų101.837%0.3754%0.536SS..Hα-helixtrans-64.7-44.1178.8172.80000110.1L190 A196 L197 F198L190-V194 HydrophobicContact CD1-CG2 3.92Å; L190-V194 HydrophobicContact CG-CG2 4.28Å; L190-V194 WeakPolarHBondContact O-CB 3.28Å; L190-V194 VanDerWaalsContact O-CG2 3.26Å; L190-V194 WeakPolarHBondContact O-CG2 3.32Å; L190-V194 PolarHBondContact O-N 2.73Å; V194-A196 VanDerWaalsContact C-N 3.32Å; V194-A196 PolarHBondContact O-N 2.73Å; V194-L197 PolarHBondContact O-N 3.49Å; V194-F198 HydrophobicContact CG1-CD2 3.64Å; V194-F198 HydrophobicContact CG1-CE2 3.82Å; V194-F198 VanDerWaalsContact O-CD2 3.25Å; V194-F198 WeakPolarHBondContact O-CD2 3.28Å; V194-F198 PolarHBondContact O-N 3.38Å
195S86.4Confident87.8Confident70 Ų70106.2 Ų106.249%0.4956%0.556SS.*Hα-helixtrans-61.3-39.9178.271.20000112.4V191 V192 A199V191-S195 WeakPolarHBondContact O-CB 3.29Å; V191-S195 PolarHBondContact O-N 3.33Å; V191-S195 PolarHBondContact O-OG 2.93Å; V192-S195 WeakPolarHBondContact CA-OG 3.14Å; V192-S195 PolarHBondContact O-N 3Å; V192-S195 PolarHBondContact O-OG 3.32Å; S195-A199 VanDerWaalsContact O-CB 3.28Å; S195-A199 WeakPolarHBondContact O-CB 3.12Å; S195-A199 PolarHBondContact O-N 3.27Å
196A89Confident87.8Confident68 Ų68109.8 Ų109.856%0.56257%0.574SS**Hα-helixtrans-67.2-39.9175.400000112.4V192 S193 V194 F198 A199V192-A196 WeakPolarHBondContact O-CB 3.33Å; V192-A196 PolarHBondContact O-N 3.19Å; S193-A196 PolarHBondContact O-N 3.36Å; V194-A196 VanDerWaalsContact C-N 3.32Å; V194-A196 PolarHBondContact O-N 2.73Å; A196-F198 VanDerWaalsContact C-N 3.35Å; A196-F198 PolarHBondContact O-N 3.28Å; A196-A199 PolarHBondContact O-N 2.63Å
197L89.5Confident88Confident144 Ų144113.1 Ų113.175%0.75458%0.584SS**Hα-helixtrans-66.8-34.7178.3-74.2172.4000112.8S193 V194S193-L197 WeakPolarHBondContact O-CB 3.08Å; S193-L197 VanDerWaalsContact O-CG 3.29Å; S193-L197 WeakPolarHBondContact O-CG 3.18Å; S193-L197 PolarHBondContact O-N 2.72Å; V194-L197 PolarHBondContact O-N 3.49Å
198F89.5Confident88.2Confident160 Ų160119.4 Ų119.470%0.70260%0.603SS**Hα-helixtrans-92.9-7.8179.9-73.5-77.2000114V194 A196 K200V194-F198 HydrophobicContact CG1-CD2 3.64Å; V194-F198 HydrophobicContact CG1-CE2 3.82Å; V194-F198 VanDerWaalsContact O-CD2 3.25Å; V194-F198 WeakPolarHBondContact O-CD2 3.28Å; V194-F198 PolarHBondContact O-N 3.38Å; A196-F198 VanDerWaalsContact C-N 3.35Å; A196-F198 PolarHBondContact O-N 3.28Å; F198-K200 PolarHBondContact O-N 2.79Å
199A86.9Confident88.2Confident39 Ų39117.8 Ų117.832%0.32260%0.598SS.*  trans-68.890.5173.700000110.4S195 A196 Q201 I203S195-A199 VanDerWaalsContact O-CB 3.28Å; S195-A199 WeakPolarHBondContact O-CB 3.12Å; S195-A199 PolarHBondContact O-N 3.27Å; A196-A199 PolarHBondContact O-N 2.63Å; A199-Q201 PolarHBondContact O-N 2.8Å; A199-Q201 VanDerWaalsContact O-N 3.13Å; A199-I203 HydrophobicContact CB-CD1 3.74Å; A199-I203 HydrophobicContact CB-CG1 4.42Å
200K86.2Confident88.2Confident216 Ų216115.9 Ų115.994%0.93959%0.59SS**  trans-70.60.7175.6-67.6-175.2178.1-179.40114.1F198F198-K200 PolarHBondContact O-N 2.79Å
201Q86.5Confident88.4Confident157 Ų157115.3 Ų115.373%0.73459%0.589SS**SBendtrans-134.3148.2-174.2-176.9170.9-16.700109.8A199 I203A199-Q201 PolarHBondContact O-N 2.8Å; A199-Q201 VanDerWaalsContact O-N 3.13Å; Q201-I203 PolarHBondContact O-N 3.01Å
202V84.8Confident88.6Confident103 Ų103117.4 Ų117.462%0.62459%0.588SS**  trans-61.3116.1171.8-70.20000110Y204V202-Y204 HydrophobicContact CB-CE2 4.49Å; V202-Y204 HydrophobicContact CG2-CE2 3.86Å
203I82.3Confident88.5Confident113 Ų113117.5 Ų117.558%0.57959%0.585SS**  trans-97.3115.2174-55.6174.1000107A199 Q201 L205A199-I203 HydrophobicContact CB-CD1 3.74Å; A199-I203 HydrophobicContact CB-CG1 4.42Å; Q201-I203 PolarHBondContact O-N 3.01Å; I203-L205 HydrophobicContact CB-CD1 3.95Å; I203-L205 HydrophobicContact CG2-CD1 3.48Å; I203-L205 VanDerWaalsContact CG2-CD1 3.48Å; I203-L205 HydrophobicContact CG2-CG 4.14Å; I203-L205 PolarHBondContact O-N 2.93Å
204Y84.2Confident88.5Confident206 Ų206117.7 Ų117.781%0.80859%0.587SS**  trans-81.899.2173-63.2-84.4000108.6V202V202-Y204 HydrophobicContact CB-CE2 4.49Å; V202-Y204 HydrophobicContact CG2-CE2 3.86Å
205L81.5Confident88.7Confident117 Ų117117.3 Ų117.361%0.61359%0.59SS**  trans-90.3131.6170.9-72.396000110I203 W207I203-L205 HydrophobicContact CB-CD1 3.95Å; I203-L205 HydrophobicContact CG2-CD1 3.48Å; I203-L205 VanDerWaalsContact CG2-CD1 3.48Å; I203-L205 HydrophobicContact CG2-CG 4.14Å; I203-L205 PolarHBondContact O-N 2.93Å; L205-W207 PolarHBondContact O-N 2.8Å
206N89.4Confident89Confident129 Ų129118.3 Ų118.369%0.6959%0.593SS**  trans-65.7130.4167.3-73.3-58.1000109W208 P209N206-W208 VanDerWaalsContact C-N 3.26Å; N206-W208 PolarHBondContact O-N 3.4Å; N206-P209 HydrophobicContact CB-CG 4.07Å; N206-P209 WeakPolarHBondContact O-CD 3.11Å
207W91.6Very high89.1Confident203 Ų203118.5 Ų118.577%0.76958%0.58SS**Hα-helixtrans-65.5-29.6179-110.670.6000112.7L205 L210 V211L205-W207 PolarHBondContact O-N 2.8Å; W207-L210 PolarHBondContact O-N 3.43Å; W207-V211 HydrophobicContact CE3-CG2 3.61Å; W207-V211 HydrophobicContact CZ3-CG2 3.93Å; W207-V211 WeakPolarHBondContact O-CG2 3.13Å; W207-V211 PolarHBondContact O-N 2.9Å
208W92.8Very high89.2Confident193 Ų193116.6 Ų116.673%0.73157%0.57SS**Hα-helixtrans-67-49.9-174.8-170.389000113.7N206 L210 V211 R212N206-W208 VanDerWaalsContact C-N 3.26Å; N206-W208 PolarHBondContact O-N 3.4Å; W208-L210 VanDerWaalsContact C-N 3.33Å; W208-L210 PolarHBondContact O-N 3.39Å; W208-V211 PolarHBondContact O-N 3.02Å; W208-R212 WeakPolarHBondContact O-CB 3.35Å; W208-R212 PolarHBondContact O-N 3.26Å
209P89.8Confident89.4Confident47 Ų47114.2 Ų114.231%0.30556%0.564SS.*Hα-helixtrans-59.1-40171.9-25.534.8000113.6N206 R212 D213N206-P209 HydrophobicContact CB-CG 4.07Å; N206-P209 WeakPolarHBondContact O-CD 3.11Å; P209-R212 PolarHBondContact O-N 3.02Å; P209-D213 WeakPolarHBondContact O-CB 3.48Å; P209-D213 PolarHBondContact O-N 3.1Å
210L89.2Confident89.6Confident92 Ų92115.1 Ų115.148%0.48257%0.568SS.*Hα-helixtrans-63.8-45.1-178.9-175.967.6000111.9W207 W208 D213 S214W207-L210 PolarHBondContact O-N 3.43Å; W208-L210 VanDerWaalsContact C-N 3.33Å; W208-L210 PolarHBondContact O-N 3.39Å; L210-D213 PolarHBondContact O-N 2.96Å; L210-S214 WeakPolarHBondContact O-CB 3.45Å; L210-S214 PolarHBondContact O-N 3.36Å; L210-S214 PolarHBondContact O-OG 3.46Å
211V94.5Very high89.8Confident69 Ų69107.6 Ų107.642%0.41854%0.537SS..Hα-helixtrans-66.3-38.9176.6170.20000111.3W207 W208 S214 A215W207-V211 HydrophobicContact CE3-CG2 3.61Å; W207-V211 HydrophobicContact CZ3-CG2 3.93Å; W207-V211 WeakPolarHBondContact O-CG2 3.13Å; W207-V211 PolarHBondContact O-N 2.9Å; W208-V211 PolarHBondContact O-N 3.02Å; V211-S214 PolarHBondContact O-OG 3.02Å; V211-S214 VanDerWaalsContact O-OG 3.11Å; V211-A215 WeakPolarHBondContact O-CB 3.5Å; V211-A215 PolarHBondContact O-N 3.49Å
212R93.9Very high90.1Very high129 Ų129104 Ų10449%0.48752%0.522SS..Hα-helixtrans-61.4-48.5176-177.7-16666.1171.5-1.7110.9W208 P209 A215 V216W208-R212 WeakPolarHBondContact O-CB 3.35Å; W208-R212 PolarHBondContact O-N 3.26Å; P209-R212 PolarHBondContact O-N 3.02Å; R212-A215 PolarHBondContact O-N 2.64Å; R212-V216 VanDerWaalsContact O-CG2 3.28Å; R212-V216 WeakPolarHBondContact O-CG2 3.39Å; R212-V216 PolarHBondContact O-N 3.1Å
213D89.6Confident90.4Very high87 Ų87104.2 Ų104.247%0.46552%0.519SS..Hα-helixtrans-69.2-38.5-176-64.3-0.6000110.8P209 L210 Y217P209-D213 WeakPolarHBondContact O-CB 3.48Å; P209-D213 PolarHBondContact O-N 3.1Å; L210-D213 PolarHBondContact O-N 2.96Å; D213-Y217 WeakPolarHBondContact O-CB 3.49Å; D213-Y217 PolarHBondContact O-N 3.47Å
214S90.9Very high90.7Very high68 Ų68101.8 Ų101.848%0.47651%0.507SS..Hα-helixtrans-68.8-37.8175.2700000113.2L210 V211 Y217 L218L210-S214 WeakPolarHBondContact O-CB 3.45Å; L210-S214 PolarHBondContact O-N 3.36Å; L210-S214 PolarHBondContact O-OG 3.46Å; V211-S214 PolarHBondContact O-OG 3.02Å; V211-S214 VanDerWaalsContact O-OG 3.11Å; S214-Y217 PolarHBondContact O-N 2.7Å; S214-L218 WeakPolarHBondContact O-CB 3.32Å; S214-L218 PolarHBondContact O-N 2.74Å
215A94.3Very high90.8Very high53 Ų5394.6 Ų94.644%0.43849%0.49SS..Hα-helixtrans-67-42.2176.300000111.9V211 R212 Y217 L218 L219V211-A215 WeakPolarHBondContact O-CB 3.5Å; V211-A215 PolarHBondContact O-N 3.49Å; R212-A215 PolarHBondContact O-N 2.64Å; A215-Y217 VanDerWaalsContact C-N 3.34Å; A215-L218 PolarHBondContact O-N 3.21Å; A215-L219 VanDerWaalsContact O-CB 3.31Å; A215-L219 WeakPolarHBondContact O-CB 3.25Å; A215-L219 PolarHBondContact O-N 3.5Å
216V92.6Very high91.2Very high92 Ų9294.3 Ų94.356%0.55849%0.489SS*.Hα-helixtrans-65.2-40.2175.7172.70000110.6R212 L219 S220R212-V216 VanDerWaalsContact O-CG2 3.28Å; R212-V216 WeakPolarHBondContact O-CG2 3.39Å; R212-V216 PolarHBondContact O-N 3.1Å; V216-L219 PolarHBondContact O-N 2.8Å; V216-S220 PolarHBondContact O-N 3.18Å
217Y90.4Very high91Very high72 Ų7292.7 Ų92.728%0.28248%0.483SS..Hα-helixtrans-61.7-49.1174.8-171.9-110.3000111.9D185 I188 D213 S214 A215 L219 S220 I221D185-Y217 PolarHBondContact OD1-OH 2.8Å; I188-Y217 HydrophobicContact CD1-CD2 3.94Å; I188-Y217 HydrophobicContact CD1-CE1 4.19Å; I188-Y217 HydrophobicContact CD1-CE2 3.42Å; I188-Y217 VanDerWaalsContact CD1-CE2 3.42Å; D213-Y217 WeakPolarHBondContact O-CB 3.49Å; D213-Y217 PolarHBondContact O-N 3.47Å; S214-Y217 PolarHBondContact O-N 2.7Å; A215-Y217 VanDerWaalsContact C-N 3.34Å; Y217-L219 VanDerWaalsContact C-N 3.32Å; Y217-L219 PolarHBondContact O-N 3.19Å; Y217-S220 WeakPolarHBondContact O-CB 3.1Å; Y217-S220 PolarHBondContact O-N 3.45Å; Y217-S220 VanDerWaalsContact O-N 3.08Å; Y217-S220 PolarHBondContact O-OG 3.27Å; Y217-I221 HydrophobicContact CD1-CD1 3.85Å; Y217-I221 HydrophobicContact CE1-CD1 3.34Å; Y217-I221 HydrophobicContact CE1-CG1 4.33Å; Y217-I221 PolarHBondContact O-N 3.15Å; Y217-I221 VanDerWaalsContact O-N 3.08Å
218L92.4Very high90.7Very high104 Ų10486.9 Ų86.955%0.54547%0.466SS..Hα-helixtrans-60.9-42177.7-175.965.8000111.8S214 A215 S220 I221 I222S214-L218 WeakPolarHBondContact O-CB 3.32Å; S214-L218 PolarHBondContact O-N 2.74Å; A215-L218 PolarHBondContact O-N 3.21Å; L218-S220 VanDerWaalsContact C-N 3.29Å; L218-S220 PolarHBondContact O-N 3.43Å; L218-I221 PolarHBondContact O-N 3.44Å; L218-I222 HydrophobicContact CD1-CD1 4.41Å; L218-I222 HydrophobicContact CD2-CD1 4.48Å; L218-I222 HydrophobicContact CG-CD1 3.91Å; L218-I222 VanDerWaalsContact O-CG1 3.29Å; L218-I222 WeakPolarHBondContact O-CG1 3.35Å; L218-I222 PolarHBondContact O-N 2.88Å
219L94.4Very high90.3Very high109 Ų10987 Ų8757%0.57147%0.468SS*.Hα-helixtrans-60.1-40.1174.8179.462.7000111.7A215 V216 Y217 I222 L223A215-L219 VanDerWaalsContact O-CB 3.31Å; A215-L219 WeakPolarHBondContact O-CB 3.25Å; A215-L219 PolarHBondContact O-N 3.5Å; V216-L219 PolarHBondContact O-N 2.8Å; Y217-L219 VanDerWaalsContact C-N 3.32Å; Y217-L219 PolarHBondContact O-N 3.19Å; L219-I222 PolarHBondContact O-N 3.18Å; L219-L223 VanDerWaalsContact O-CB 3.3Å; L219-L223 WeakPolarHBondContact O-CB 3.4Å; L219-L223 PolarHBondContact O-N 3.43Å
220S90.6Very high89.7Confident59 Ų5989.1 Ų89.141%0.41348%0.477SS..Hα-helixtrans-64.2-40.4177.6770000112.5V216 Y217 L218 L224V216-S220 PolarHBondContact O-N 3.18Å; Y217-S220 WeakPolarHBondContact O-CB 3.1Å; Y217-S220 PolarHBondContact O-N 3.45Å; Y217-S220 VanDerWaalsContact O-N 3.08Å; Y217-S220 PolarHBondContact O-OG 3.27Å; L218-S220 VanDerWaalsContact C-N 3.29Å; L218-S220 PolarHBondContact O-N 3.43Å; S220-L224 WeakPolarHBondContact O-CB 3.08Å; S220-L224 PolarHBondContact O-N 2.77Å
221I91Very high88.6Confident57 Ų5789.9 Ų89.929%0.29248%0.478SS..Hα-helixtrans-66.6-44.6174.8-66.7172.2000110.7Y217 L218 L223 L224 A225Y217-I221 HydrophobicContact CD1-CD1 3.85Å; Y217-I221 HydrophobicContact CE1-CD1 3.34Å; Y217-I221 HydrophobicContact CE1-CG1 4.33Å; Y217-I221 PolarHBondContact O-N 3.15Å; Y217-I221 VanDerWaalsContact O-N 3.08Å; L218-I221 PolarHBondContact O-N 3.44Å; I221-L223 VanDerWaalsContact C-N 3.35Å; I221-L223 PolarHBondContact O-N 3.19Å; I221-L224 PolarHBondContact O-N 3.08Å; I221-A225 WeakPolarHBondContact O-CB 3.5Å; I221-A225 PolarHBondContact O-N 3.28Å
222I92.1Very high86.4Confident81 Ų8192.2 Ų92.242%0.41549%0.488SS..Hα-helixtrans-61.7-45.4178.4-69.5166.9000110.4L218 L219 L224 A225 L226L218-I222 HydrophobicContact CD1-CD1 4.41Å; L218-I222 HydrophobicContact CD2-CD1 4.48Å; L218-I222 HydrophobicContact CG-CD1 3.91Å; L218-I222 VanDerWaalsContact O-CG1 3.29Å; L218-I222 WeakPolarHBondContact O-CG1 3.35Å; L218-I222 PolarHBondContact O-N 2.88Å; L219-I222 PolarHBondContact O-N 3.18Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-L224 PolarHBondContact O-N 3.49Å; I222-A225 PolarHBondContact O-N 3.17Å; I222-L226 HydrophobicContact CG2-CD1 4.1Å; I222-L226 HydrophobicContact CG2-CG 4.36Å; I222-L226 WeakPolarHBondContact O-CG 3.23Å; I222-L226 PolarHBondContact O-N 3.49Å
223L91.2Very high84.8Confident108 Ų10891.6 Ų91.657%0.56550%0.498SS*.Hα-helixtrans-61.8-43178-174.9145.7000111.1L219 I221 L226 V227L219-L223 VanDerWaalsContact O-CB 3.3Å; L219-L223 WeakPolarHBondContact O-CB 3.4Å; L219-L223 PolarHBondContact O-N 3.43Å; I221-L223 VanDerWaalsContact C-N 3.35Å; I221-L223 PolarHBondContact O-N 3.19Å; L223-L226 PolarHBondContact O-N 3.5Å; L223-V227 HydrophobicContact CD2-CG2 4.36Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.05Å
224L87.6Confident82.9Confident63 Ų6397.4 Ų97.433%0.3352%0.515SS..Hα-helixtrans-59.9-46.2173.5-179.961.6000111.3L177 V181 S220 I221 I222 L226 V227 I228L177-L224 HydrophobicContact CD1-CD1 4.28Å; L177-L224 HydrophobicContact CD1-CD2 4.39Å; V181-L224 HydrophobicContact CG2-CD2 3.73Å; S220-L224 WeakPolarHBondContact O-CB 3.08Å; S220-L224 PolarHBondContact O-N 2.77Å; I221-L224 PolarHBondContact O-N 3.08Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-L224 PolarHBondContact O-N 3.49Å; L224-L226 PolarHBondContact O-N 2.81Å; L224-V227 PolarHBondContact O-N 2.86Å; L224-I228 HydrophobicContact CD1-CD1 4.06Å; L224-I228 HydrophobicContact CD1-CG1 4.5Å; L224-I228 HydrophobicContact CG-CD1 3.85Å; L224-I228 VanDerWaalsContact O-CD1 3.29Å; L224-I228 WeakPolarHBondContact O-CD1 3.39Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.03Å; L224-I228 PolarHBondContact O-N 3.04Å
225A87.6Confident81.2Confident54 Ų5497.5 Ų97.545%0.44651%0.514SS..Hα-helixtrans-62.4-39.5178.600000112.7I221 I222 I228 Y229I221-A225 WeakPolarHBondContact O-CB 3.5Å; I221-A225 PolarHBondContact O-N 3.28Å; I222-A225 PolarHBondContact O-N 3.17Å; A225-I228 PolarHBondContact O-N 2.87Å; A225-Y229 WeakPolarHBondContact O-CB 3.42Å; A225-Y229 PolarHBondContact O-N 2.92Å
226L89.3Confident79.5Confident111 Ų11199.6 Ų99.658%0.58152%0.518SS*.Hα-helixtrans-65.3-43.2175.7-72.7174.9000112I222 L223 L224 I228 Y229 D230I222-L226 HydrophobicContact CG2-CD1 4.1Å; I222-L226 HydrophobicContact CG2-CG 4.36Å; I222-L226 WeakPolarHBondContact O-CG 3.23Å; I222-L226 PolarHBondContact O-N 3.49Å; L223-L226 PolarHBondContact O-N 3.5Å; L224-L226 PolarHBondContact O-N 2.81Å; L226-I228 VanDerWaalsContact C-N 3.28Å; L226-I228 PolarHBondContact O-N 3.27Å; L226-Y229 PolarHBondContact O-N 3.35Å; L226-D230 WeakPolarHBondContact O-CB 3.47Å; L226-D230 PolarHBondContact O-N 3.13Å
227V86.4Confident77.7Confident95 Ų95101 Ų10158%0.57653%0.529SS*.Hα-helixtrans-62.1-37.2176.3169.50000111.4L223 L224L223-V227 HydrophobicContact CD2-CG2 4.36Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.05Å; L224-V227 PolarHBondContact O-N 2.86Å
228I84.2Confident76Confident82 Ų82104 Ų10442%0.42155%0.55SS..Hα-helixtrans-71.7-41176.6-65155.3000111.3L177 L224 A225 L226 D230L177-I228 HydrophobicContact CD1-CD1 4.16Å; L177-I228 HydrophobicContact CD2-CD1 3.44Å; L177-I228 VanDerWaalsContact CD2-CD1 3.44Å; L177-I228 HydrophobicContact CD2-CG1 3.99Å; L177-I228 HydrophobicContact CG-CD1 4.33Å; L224-I228 HydrophobicContact CD1-CD1 4.06Å; L224-I228 HydrophobicContact CD1-CG1 4.5Å; L224-I228 HydrophobicContact CG-CD1 3.85Å; L224-I228 VanDerWaalsContact O-CD1 3.29Å; L224-I228 WeakPolarHBondContact O-CD1 3.39Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.03Å; L224-I228 PolarHBondContact O-N 3.04Å; A225-I228 PolarHBondContact O-N 2.87Å; L226-I228 VanDerWaalsContact C-N 3.28Å; L226-I228 PolarHBondContact O-N 3.27Å; I228-D230 VanDerWaalsContact C-N 3.27Å; I228-D230 PolarHBondContact O-N 3.21Å
229Y84.4Confident73.9Confident194 Ų194111 Ų11176%0.76157%0.569SS**Hα-helixtrans-62.3-38.7179-178.2-101.7000111.6A225 L226 E231A225-Y229 WeakPolarHBondContact O-CB 3.42Å; A225-Y229 PolarHBondContact O-N 2.92Å; L226-Y229 PolarHBondContact O-N 3.35Å; Y229-E231 VanDerWaalsContact C-N 3.29Å; Y229-E231 PolarHBondContact O-N 3.44Å
230D77.8Confident71.8Confident93 Ų93109.8 Ų109.850%0.49758%0.583SS.*  trans-79.772.6175.8-157.613.4000110.5L226 I228 L232L226-D230 WeakPolarHBondContact O-CB 3.47Å; L226-D230 PolarHBondContact O-N 3.13Å; I228-D230 VanDerWaalsContact C-N 3.27Å; I228-D230 PolarHBondContact O-N 3.21Å; D230-L232 PolarHBondContact O-N 3.5Å; D230-L232 VanDerWaalsContact OD1-CB 3.31Å; D230-L232 WeakPolarHBondContact OD1-CB 3.45Å; D230-L232 WeakPolarHBondContact OD1-CD1 3.27Å; D230-L232 WeakPolarHBondContact OD1-CG 3.49Å
231E64.9Low70Confident107 Ų107111.9 Ų111.950%0.560%0.604SS.*  trans-65.821.3172.6-39160.6-152.400113.1Y229 V233 R249Y229-E231 VanDerWaalsContact C-N 3.29Å; Y229-E231 PolarHBondContact O-N 3.44Å; E231-V233 VanDerWaalsContact C-N 3.25Å; E231-V233 PolarHBondContact O-N 3.09Å; E231-R249 VanDerWaalsContact CD-CZ 3.47Å; E231-R249 VanDerWaalsContact CD-NE 3.33Å; E231-R249 IonicContact OE1-CZ 3.93Å; E231-R249 IonicContact OE1-NE 2.85Å; E231-R249 IonicContact OE1-NH2 3.18Å; E231-R249 PolarHBondContact OE1-NH2 3.29Å; E231-R249 IonicContact OE2-CZ 3.26Å; E231-R249 VanDerWaalsContact OE2-CZ 3.26Å; E231-R249 IonicContact OE2-NE 2.7Å; E231-R249 PolarHBondContact OE2-NE 3.17Å; E231-R249 IonicContact OE2-NH2 3.21Å; E231-R249 PolarHBondContact OE2-NH2 3.21Å
232L49.4Very low68.2Low119 Ų119119.8 Ų119.862%0.62363%0.63SS**  trans-75.976172-65-177.4000110.2D230 Y234D230-L232 PolarHBondContact O-N 3.5Å; D230-L232 VanDerWaalsContact OD1-CB 3.31Å; D230-L232 WeakPolarHBondContact OD1-CB 3.45Å; D230-L232 WeakPolarHBondContact OD1-CD1 3.27Å; D230-L232 WeakPolarHBondContact OD1-CG 3.49Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 3.42Å
233V59.5Low66.2Low115 Ų115125.9 Ų125.970%0.69765%0.648SS**  trans-73.588.8163.2-159.50000107.5E231 C235E231-V233 VanDerWaalsContact C-N 3.25Å; E231-V233 PolarHBondContact O-N 3.09Å; V233-C235 PolarHBondContact O-N 3.28Å
234Y49.8Very low64.2Low209 Ų209130.3 Ų130.382%0.8266%0.657SS**  trans-69.183171.8-146.5-86000108.4L232 N236L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 3.42Å; Y234-N236 HydrophobicContact CD1-CB 4.35Å; Y234-N236 PolarHBondContact O-N 3.43Å
235C55.8Low62.4Low70 Ų70131.2 Ų131.247%0.47367%0.668SS.*  trans-71.580.3173.1-153.40000107.2V233 P237 C245V233-C235 PolarHBondContact O-N 3.28Å; C235-P237 WeakPolarHBondContact O-CD 3.46Å; C235-P237 VanDerWaalsContact O-N 3.11Å; C235-C245 HydrophobicContact CB-CB 3.57Å; C235-C245 WeakPolarHBondContact CB-SG 3.29Å; C235-C245 WeakPolarHBondContact SG-CB 3.41Å; C235-C245 CovalentContact SG-SG 2.05Å; C235-C245 PolarHBondContact SG-SG 3.35Å
236N59.2Low60.4Low97 Ų97133.3 Ų133.352%0.51968%0.679SS.*  trans-61.3113.9177.6-171.412.8000108Y234 L238Y234-N236 HydrophobicContact CD1-CB 4.35Å; Y234-N236 PolarHBondContact O-N 3.43Å; N236-L238 VanDerWaalsContact ND2-CD1 3.3Å; N236-L238 WeakPolarHBondContact ND2-CD1 3.37Å; N236-L238 PolarHBondContact O-N 3.22Å
237P55Low58.6Low121 Ų121133 Ų13379%0.78669%0.686SS**  trans-78.272.8179.717.9-6.5000109.2C235C235-P237 WeakPolarHBondContact O-CD 3.46Å; C235-P237 VanDerWaalsContact O-N 3.11Å
238L53.4Low56.6Low137 Ų137132.1 Ų132.172%0.71770%0.697SS**  trans-92.1105.5166.3-73.2177.6000109.3N236N236-L238 VanDerWaalsContact ND2-CD1 3.3Å; N236-L238 WeakPolarHBondContact ND2-CD1 3.37Å; N236-L238 PolarHBondContact O-N 3.22Å
239R48.2Very low54.8Low249 Ų249133.9 Ų133.994%0.9470%0.698SS**SBendtrans41.199.7162.5-78.8-179.7174.4166-1.2117
240G50.4Low52.8Low85 Ų85134.3 Ų134.388%0.87670%0.704SS**SBendtrans102.3-15.2138.200000118.8R242G240-R242 PolarHBondContact O-N 3.03Å
241A53.6Low50.7Low103 Ų103135.7 Ų135.785%0.85172%0.716SS**  trans-92.398.117600000111
242R51.5Low49.7Very low222 Ų222140.2 Ų140.284%0.83876%0.755SS**  trans-77.3131.8-179.9-176.1170.5-89.6-144.3-6.2110.5G240G240-R242 PolarHBondContact O-N 3.03Å
243R51.4Low49.7Very low210 Ų210141.3 Ų141.379%0.79276%0.761SS**  trans80.1125.9170.3-34.7-166.9-138.1-148.88113.5
244R49.5Very low49.2Very low200 Ų200142.7 Ų142.776%0.75577%0.765SS**  cis-169.59324.5178.8170.8-71.8-114.8-3.4108.4S246R244-S246 PolarHBondContact O-N 3.47Å
245C49.3Very low49.2Very low83 Ų83139 Ų13956%0.56176%0.761SS**  trans-85.790.9160.9-73.20000106.7C235C235-C245 HydrophobicContact CB-CB 3.57Å; C235-C245 WeakPolarHBondContact CB-SG 3.29Å; C235-C245 WeakPolarHBondContact SG-CB 3.41Å; C235-C245 CovalentContact SG-SG 2.05Å; C235-C245 PolarHBondContact SG-SG 3.35Å
246S45.5Very low48.8Very low97 Ų97143.1 Ų143.168%0.67878%0.778SS**  trans-132.180.8178.9177.80000107.9R244R244-S246 PolarHBondContact O-N 3.47Å
247S51.6Low48.2Very low105 Ų105145.9 Ų145.973%0.73480%0.795SS**  trans-112.5108.3153.8-159.50000106.7R249S247-R249 PolarHBondContact O-N 3.36Å
248G43.2Very low47.7Very low77 Ų77147.6 Ų147.679%0.79480%0.795SS**  trans-73.690.3-177.600000110.2K250G248-K250 PolarHBondContact O-N 3.43Å
249R47.9Very low47.3Very low119 Ų119148.4 Ų148.445%0.44980%0.801SS.*  trans-77.8110.2165.3-169.9-179.6-94.7-169.3-26.5108.1E231 S247 T251E231-R249 VanDerWaalsContact CD-CZ 3.47Å; E231-R249 VanDerWaalsContact CD-NE 3.33Å; E231-R249 IonicContact OE1-CZ 3.93Å; E231-R249 IonicContact OE1-NE 2.85Å; E231-R249 IonicContact OE1-NH2 3.18Å; E231-R249 PolarHBondContact OE1-NH2 3.29Å; E231-R249 IonicContact OE2-CZ 3.26Å; E231-R249 VanDerWaalsContact OE2-CZ 3.26Å; E231-R249 IonicContact OE2-NE 2.7Å; E231-R249 PolarHBondContact OE2-NE 3.17Å; E231-R249 IonicContact OE2-NH2 3.21Å; E231-R249 PolarHBondContact OE2-NH2 3.21Å; S247-R249 PolarHBondContact O-N 3.36Å; R249-T251 PolarHBondContact O-N 3.5Å
250K41.4Very low47.2Very low203 Ų203140.6 Ų140.688%0.88379%0.79SS**  trans-56.8114.8167.2-77.5175.8174.5-178.10108.3G248G248-K250 PolarHBondContact O-N 3.43Å
251T35.1Very low47Very low121 Ų121145.3 Ų145.374%0.74278%0.783SS**  trans-80.5146.5158.8490000108.6R249R249-T251 PolarHBondContact O-N 3.5Å
252P43.8Very low46.4Very low203 Ų203149.1 Ų149.1100%1.31878%0.777SS**  trans-62.60-159.626.3-35.9000114.9

Retrieved 252 of 252 residues in 411 ms (Link to these results)