G4M105_SCHMA Loading...

Activator of basal transcription 1

AlphaFold DB , UniProt , Accession G4M105, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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
1M37.5Very low48.9Very low246 Ų246145.5 Ų145.5100%1.21274%0.74SS**  0121.70-93.4174.5162.400107.5L3M1-L3 PolarHBondContact O-N 3.36Å
2V38.6Very low49.6Very low122 Ų122137.2 Ų137.274%0.73970%0.702SS**  trans-67.2117.9-170.6-173.70000108.5D4V2-D4 PolarHBondContact O-N 2.79Å
3L46.2Very low50.1Low136 Ų136140.5 Ų140.571%0.71272%0.722SS**  trans-71.791.3159.6-80.5162.7000105.3M1 A5M1-L3 PolarHBondContact O-N 3.36Å; L3-A5 PolarHBondContact O-N 3.36Å
4D43.7Very low51.2Low126 Ų126132.6 Ų132.667%0.67469%0.686SS**  trans-62.392.4170.3-96.9-30.2000108.4V2 R6V2-D4 PolarHBondContact O-N 2.79Å; D4-R6 PolarHBondContact O-N 3.27Å
5A51Low52.9Low92 Ų92134.3 Ų134.376%0.7670%0.696SS**  trans-77.971.4169.100000108.7L3L3-A5 PolarHBondContact O-N 3.36Å
6R47.3Very low55.2Low218 Ų218130.4 Ų130.482%0.82368%0.68SS**  trans-115.677.8155.3-76.1-174.6-177.9168.82.2107.7D4 E8D4-R6 PolarHBondContact O-N 3.27Å; R6-E8 VanDerWaalsContact C-N 3.33Å; R6-E8 PolarHBondContact O-N 3.06Å
7I56.9Low57.5Low95 Ų95126.3 Ų126.349%0.48766%0.663SS.*  trans-82.692.5160.7-60.8174.5000104.2D9I7-D9 PolarHBondContact O-N 3.03Å
8E54.8Low59.6Low150 Ų150119.4 Ų119.470%0.70163%0.628SS**  trans-58.2122.7169.1-77.1168.4165.400108.3R6 D10R6-E8 VanDerWaalsContact C-N 3.33Å; R6-E8 PolarHBondContact O-N 3.06Å; E8-D10 PolarHBondContact O-N 3.24Å
9D53.2Low61.5Low130 Ų130113.2 Ų113.270%0.69560%0.595SS**  trans-6880.9177.2-171.735.1000108.5I7 K11I7-D9 PolarHBondContact O-N 3.03Å; D9-K11 PolarHBondContact O-N 3.32Å
10D56.5Low63.3Low99 Ų99107.6 Ų107.653%0.52957%0.565SS.*  trans-65.488.7164.6-75.5-39.6000107.7E8 V12 R77E8-D10 PolarHBondContact O-N 3.24Å; D10-V12 VanDerWaalsContact C-N 3.3Å; D10-V12 HydrophobicContact CB-CG2 4.21Å; D10-V12 PolarHBondContact O-N 2.85Å; D10-R77 IonicContact OD2-CZ 3.8Å; D10-R77 IonicContact OD2-NH2 2.66Å; D10-R77 PolarHBondContact OD2-NH2 2.82Å
11K52.2Low64.9Low186 Ų186104.5 Ų104.581%0.80955%0.547SS*.  trans-54.293.3166.4-76.3-177.1176175.60109.4D9D9-K11 PolarHBondContact O-N 3.32Å
12V56.9Low67.7Low46 Ų4692.8 Ų92.828%0.27949%0.489SS..  trans-131.698.8174-176.60000107.6D10 S14 N71 K73D10-V12 VanDerWaalsContact C-N 3.3Å; D10-V12 HydrophobicContact CB-CG2 4.21Å; D10-V12 PolarHBondContact O-N 2.85Å; V12-S14 PolarHBondContact O-N 2.96Å; V12-N71 PolarHBondContact O-ND2 3.47Å; V12-K73 HydrophobicContact CB-CD 4.08Å; V12-K73 HydrophobicContact CG1-CD 3.85Å; V12-K73 VanDerWaalsContact CG1-CE 3.48Å; V12-K73 HydrophobicContact CG2-CD 4Å
13D56.9Low70.3Confident180 Ų18089.2 Ų89.296%0.96347%0.469SS*.  trans-62.751.5171.7-85.3-22.6000113.4
14S65.3Low72.6Confident31 Ų3186.1 Ų86.122%0.21746%0.456CS..  trans-113.899.9167.966.20000109.5V12 V16V12-S14 PolarHBondContact O-N 2.96Å; S14-V16 PolarHBondContact O-N 2.93Å
15D76.6Confident75Confident158 Ų15880.4 Ų80.485%0.84543%0.425SS*.  trans-66.624.5171.1-92.4-12.1000113.2P17D15-P17 VanDerWaalsContact O-CD 3.26Å; D15-P17 WeakPolarHBondContact O-CD 3.25Å
16V90Very high76.9Confident72 Ų7276.1 Ų76.144%0.43639%0.39SS..  trans-86.6113.5178.4-175.10000108.2S14 L70 K72S14-V16 PolarHBondContact O-N 2.93Å; V16-L70 CarbonylContact C-O 3.54Å; V16-K72 HydrophobicContact CB-CD 4.26Å; V16-K72 HydrophobicContact CG1-CD 4.08Å; V16-K72 PolarHBondContact O-N 2.89Å
17P93.5Very high78.9Confident60 Ų6068.5 Ų68.539%0.3937%0.365SS..  trans-65.3152.3178.528.1-34.3000110.5D15 E68 F69D15-P17 VanDerWaalsContact O-CD 3.26Å; D15-P17 WeakPolarHBondContact O-CD 3.25Å; P17-E68 HydrophobicContact CB-CG 4.03Å; P17-F69 VanDerWaalsContact CA-O 3.29Å; P17-F69 WeakPolarHBondContact CA-O 3Å
18G95Very high80.4Confident3 Ų364.2 Ų64.23%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-133.5138.9174.700000111.2F69G18-F69 PolarHBondContact N-O 3.44Å; G18-F69 PolarHBondContact O-N 3.05Å
19I96.5Very high82.1Confident1 Ų157.1 Ų57.11%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-105.5136.1-174.7-63.7174.1000110.4W66 V67 E68 F104 L105 T108 S109 W110 L113I19-W66 HydrophobicContact CG2-CB 4.13Å; I19-W66 HydrophobicContact CG2-CG 4.48Å; I19-V67 WeakPolarHBondContact CA-O 3.26Å; I19-E68 HydrophobicContact CG1-CB 4.4Å; I19-E68 HydrophobicContact CG1-CG 4.5Å; I19-F104 WeakPolarHBondContact O-CD2 3.36Å; I19-L105 HydrophobicContact CG2-CD1 3.99Å; I19-L105 PolarHBondContact O-N 3.32Å; I19-T108 HydrophobicContact CD1-CG2 4.47Å; I19-S109 VanDerWaalsContact CD1-C 3.46Å; I19-W110 HydrophobicContact CD1-CB 4.28Å; I19-W110 HydrophobicContact CD1-CE3 4.14Å; I19-W110 HydrophobicContact CG1-CE3 4.48Å; I19-L113 HydrophobicContact CD1-CD1 3.87Å; I19-L113 HydrophobicContact CD1-CG 4.21Å; I19-L113 HydrophobicContact CG2-CD1 4.14Å
20I96.7Very high84Confident0 Ų054.4 Ų54.40%030%0.297CS..EExtended strand (participates in β ladder)trans-107.5128.2169.7-61.8-167.2000108.7L22 W66 V67 F69 A75 V78 A79 I102I20-L22 HydrophobicContact CG2-CD2 4.29Å; I20-W66 CarbonylContact O-C 3.59Å; I20-W66 VanDerWaalsContact O-CA 3.3Å; I20-W66 WeakPolarHBondContact O-CA 3.46Å; I20-V67 HydrophobicContact CB-CB 4.48Å; I20-V67 PolarHBondContact N-O 3.21Å; I20-V67 PolarHBondContact O-N 3.11Å; I20-F69 HydrophobicContact CD1-CD2 3.82Å; I20-F69 HydrophobicContact CD1-CE2 3.4Å; I20-F69 VanDerWaalsContact CD1-CE2 3.4Å; I20-F69 HydrophobicContact CD1-CZ 4.36Å; I20-F69 HydrophobicContact CG1-CD2 4.04Å; I20-F69 HydrophobicContact CG1-CE2 4.04Å; I20-A75 HydrophobicContact CD1-CB 4.35Å; I20-A75 VanDerWaalsContact CD1-O 3.23Å; I20-A75 WeakPolarHBondContact CD1-O 3.05Å; I20-A75 HydrophobicContact CG1-CB 3.96Å; I20-V78 HydrophobicContact CD1-CB 3.8Å; I20-V78 HydrophobicContact CD1-CG1 3.68Å; I20-A79 HydrophobicContact CD1-CB 4.27Å; I20-I102 HydrophobicContact CG2-CB 4.46Å; I20-I102 HydrophobicContact CG2-CG2 3.05Å
21Y97.1Very high85.8Confident44 Ų4452.2 Ų52.217%0.17329%0.287CS..EExtended strand (participates in β ladder)trans-90.6131.6169.8176.9-117000110.8E64 G65 W66 I102 R103Y21-E64 HydrophobicContact CE2-CB 3.95Å; Y21-E64 HydrophobicContact CE2-CG 4.43Å; Y21-E64 VanDerWaalsContact CE2-OE2 3.3Å; Y21-E64 WeakPolarHBondContact CE2-OE2 3.46Å; Y21-E64 PolarHBondContact OH-OE2 3.34Å; Y21-G65 WeakPolarHBondContact CD2-O 3.37Å; Y21-W66 AromaticContact CD2-CD1 3.89Å; Y21-W66 HydrophobicContact CD2-CD2 4.5Å; Y21-W66 AromaticContact CD2-CE2 3.87Å; Y21-W66 HydrophobicContact CD2-CZ2 4.35Å; Y21-W66 AromaticContact CD2-NE1 3.44Å; Y21-W66 HydrophobicContact CE2-CZ2 4.11Å; Y21-I102 CarbonylContact O-C 3.58Å; Y21-I102 WeakPolarHBondContact O-CA 3.43Å; Y21-R103 PolarHBondContact N-O 3.43Å; Y21-R103 PolarHBondContact O-N 2.64Å
22L96.6Very high87.9Confident0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-106.7105172.9-56.2177.7000107.6I20 T24 I25 I34 M38 L49 E64 G65 V67 I102I20-L22 HydrophobicContact CG2-CD2 4.29Å; L22-T24 VanDerWaalsContact C-N 3.29Å; L22-T24 PolarHBondContact O-N 3.19Å; L22-I25 HydrophobicContact CB-CD1 3.48Å; L22-I25 VanDerWaalsContact CB-CD1 3.48Å; L22-I25 HydrophobicContact CD1-CD1 3.55Å; L22-I25 HydrophobicContact CG-CD1 4.16Å; L22-I34 HydrophobicContact CD1-CD1 4.29Å; L22-I34 HydrophobicContact CD1-CG2 3.97Å; L22-M38 HydrophobicContact CD2-CE 4.31Å; L22-L49 HydrophobicContact CD1-CD2 4.29Å; L22-E64 CarbonylContact O-C 3.43Å; L22-E64 VanDerWaalsContact O-CA 3.32Å; L22-E64 WeakPolarHBondContact O-CA 3.47Å; L22-G65 PolarHBondContact N-O 2.83Å; L22-G65 PolarHBondContact O-N 3.46Å; L22-V67 HydrophobicContact CD1-CG2 3.89Å; L22-V67 HydrophobicContact CG-CG2 4.44Å; L22-I102 HydrophobicContact CD2-CB 4.28Å; L22-I102 HydrophobicContact CD2-CD1 3.67Å; L22-I102 HydrophobicContact CD2-CG1 3.52Å; L22-I102 HydrophobicContact CD2-CG2 4.09Å
23S94.5Very high89.6Confident46 Ų4647.7 Ų47.732%0.32228%0.275SS..EExtended strand (participates in β ladder)trans-72.3-26.4-177.3-1790000112.8N101S23-N101 PolarHBondContact N-O 2.98Å
24T93.5Very high91.4Very high71 Ų7139.1 Ų39.144%0.43623%0.229SC..EExtended strand (participates in β ladder)trans-141134.4177.2-510000108L22L22-T24 VanDerWaalsContact C-N 3.29Å; L22-T24 PolarHBondContact O-N 3.19Å
25I93.7Very high92.8Very high7 Ų739.3 Ų39.34%0.03623%0.23CC..PPolyproline II helixtrans-100.4126.4174.7-55.1-56.3000109.6L22 M29 I34 L49 Y62L22-I25 HydrophobicContact CB-CD1 3.48Å; L22-I25 VanDerWaalsContact CB-CD1 3.48Å; L22-I25 HydrophobicContact CD1-CD1 3.55Å; L22-I25 HydrophobicContact CG-CD1 4.16Å; I25-M29 HydrophobicContact CG2-CB 4.31Å; I25-I34 HydrophobicContact CD1-CD1 4.05Å; I25-I34 HydrophobicContact CG2-CD1 3.68Å; I25-L49 HydrophobicContact CD1-CD2 3.67Å; I25-L49 HydrophobicContact CG1-CD2 4.14Å; I25-L49 HydrophobicContact CG2-CD1 4.45Å; I25-Y62 HydrophobicContact CG2-CD2 4.26Å
26P91.4Very high93.7Very high2 Ų236.3 Ų36.31%0.01321%0.214CC..PPolyproline II helixtrans-59.9141.6-178.4-22.931.2000113G28 M29 V87 W95 E98 W100P26-G28 PolarHBondContact O-N 3.45Å; P26-M29 HydrophobicContact CB-CG 3.99Å; P26-M29 HydrophobicContact CB-SD 3.63Å; P26-M29 HydrophobicContact CG-SD 3.57Å; P26-M29 VanDerWaalsContact CG-SD 3.57Å; P26-M29 WeakPolarHBondContact O-CB 3.32Å; P26-M29 PolarHBondContact O-N 3.26Å; P26-M29 VanDerWaalsContact O-N 3.12Å; P26-V87 HydrophobicContact CB-CG2 4.09Å; P26-V87 HydrophobicContact CG-CG2 3.51Å; P26-W95 HydrophobicContact CB-CB 3.58Å; P26-W95 HydrophobicContact CB-CG 4.46Å; P26-E98 WeakPolarHBondContact CA-OE2 3.49Å; P26-E98 HydrophobicContact CB-CB 4.28Å; P26-E98 VanDerWaalsContact CB-OE2 3.26Å; P26-E98 WeakPolarHBondContact CB-OE2 3.41Å; P26-W100 HydrophobicContact CG-CE3 4.27Å; P26-W100 HydrophobicContact CG-CH2 4.43Å; P26-W100 HydrophobicContact CG-CZ3 4.07Å
27N88.5Confident93.9Very high57 Ų5734.7 Ų34.731%0.30520%0.203SC..THydrogen-bonded Turntrans-60.8125-169.9-73.6-54.7000112M29 Q61 W95 E98N27-M29 VanDerWaalsContact C-N 3.33Å; N27-Q61 PolarHBondContact OD1-NE2 3.06Å; N27-W95 VanDerWaalsContact O-CE3 3.27Å; N27-E98 WeakPolarHBondContact CB-OE1 3.31Å; N27-E98 PolarHBondContact N-OE2 2.85Å; N27-E98 PolarHBondContact ND2-OE1 3.11Å
28G89Confident93.9Very high6 Ų631.9 Ų31.96%0.06219%0.185CC..THydrogen-bonded Turntrans86.8-2.1177.900000114.9P26 W95P26-G28 PolarHBondContact O-N 3.45Å; G28-W95 WeakPolarHBondContact O-CZ3 3.32Å
29M91.7Very high93.9Very high0 Ų036.1 Ų36.10%020%0.204CC..  trans-74.4134.7168.8-67.1-167.376.100111.3I25 P26 N27 M33 I34 I37 Y62 V87 W95 W100I25-M29 HydrophobicContact CG2-CB 4.31Å; P26-M29 HydrophobicContact CB-CG 3.99Å; P26-M29 HydrophobicContact CB-SD 3.63Å; P26-M29 HydrophobicContact CG-SD 3.57Å; P26-M29 VanDerWaalsContact CG-SD 3.57Å; P26-M29 WeakPolarHBondContact O-CB 3.32Å; P26-M29 PolarHBondContact O-N 3.26Å; P26-M29 VanDerWaalsContact O-N 3.12Å; N27-M29 VanDerWaalsContact C-N 3.33Å; M29-M33 HydrophobicContact CE-CB 4.22Å; M29-I34 HydrophobicContact CB-CD1 4.43Å; M29-I34 HydrophobicContact CB-CG1 4.26Å; M29-I34 HydrophobicContact CE-CG1 3.66Å; M29-I34 HydrophobicContact SD-CG1 4.4Å; M29-I37 HydrophobicContact CE-CD1 3.43Å; M29-I37 VanDerWaalsContact CE-CD1 3.43Å; M29-Y62 WeakPolarHBondContact O-CE2 3.29Å; M29-V87 HydrophobicContact CE-CG1 4.43Å; M29-V87 HydrophobicContact SD-CG1 3.95Å; M29-W95 HydrophobicContact CG-CD2 3.88Å; M29-W95 HydrophobicContact CG-CE3 4.01Å; M29-W95 HydrophobicContact CG-CG 4.12Å; M29-W100 HydrophobicContact CE-CH2 3.68Å; M29-W100 HydrophobicContact CE-CZ2 4.06Å; M29-W100 HydrophobicContact SD-CH2 3.75Å; M29-W100 HydrophobicContact SD-CZ2 4.22Å; M29-W100 HydrophobicContact SD-CZ3 4.44Å
30N92.8Very high93.7Very high74 Ų7442.6 Ų42.640%0.39623%0.234SC..  trans-101.9164.3173.9-65.9-29.9000111S32 M33 I34N30-S32 PolarHBondContact O-N 2.83Å; N30-M33 HydrophobicContact CB-CG 4.43Å; N30-M33 PolarHBondContact O-N 3.42Å; N30-I34 PolarHBondContact O-N 3.32Å; N30-I34 VanDerWaalsContact O-N 3.15Å
31V94.7Very high93.5Very high53 Ų5344.9 Ų44.932%0.32124%0.244SC..Hα-helixtrans-49.3-45.9176.2-177.40000111.9M33 I34 S35 V47 L49V31-M33 PolarHBondContact O-N 3.43Å; V31-I34 PolarHBondContact O-N 3.22Å; V31-S35 WeakPolarHBondContact O-CB 3.47Å; V31-S35 PolarHBondContact O-N 3.46Å; V31-V47 HydrophobicContact CG1-CB 4.12Å; V31-V47 HydrophobicContact CG1-CG1 3.85Å; V31-L49 HydrophobicContact CB-CD1 4.31Å; V31-L49 HydrophobicContact CG2-CB 4.32Å; V31-L49 HydrophobicContact CG2-CD1 3.66Å; V31-L49 HydrophobicContact CG2-CG 3.94Å
32S94.6Very high93.3Very high75 Ų7543.6 Ų43.652%0.52424%0.244SC..Hα-helixtrans-58.4-45.4177.8-167.30000112.3N30 I34 S35 D36N30-S32 PolarHBondContact O-N 2.83Å; S32-I34 PolarHBondContact O-N 3.26Å; S32-S35 VanDerWaalsContact O-CB 3.32Å; S32-S35 WeakPolarHBondContact O-CB 3.3Å; S32-S35 PolarHBondContact O-N 3.38Å; S32-D36 PolarHBondContact O-N 2.92Å; S32-D36 VanDerWaalsContact O-OD2 3.13Å
33M93.8Very high93.2Very high61 Ų6150.8 Ų50.830%0.328%0.275SS..Hα-helixtrans-66.6-39.5-176.4-58.2-175.66900111.9M29 N30 V31 S35 D36 I37 W95M29-M33 HydrophobicContact CE-CB 4.22Å; N30-M33 HydrophobicContact CB-CG 4.43Å; N30-M33 PolarHBondContact O-N 3.42Å; V31-M33 PolarHBondContact O-N 3.43Å; M33-S35 VanDerWaalsContact C-N 3.35Å; M33-D36 PolarHBondContact O-N 3.37Å; M33-I37 WeakPolarHBondContact O-CD1 3.44Å; M33-I37 VanDerWaalsContact O-CG1 3.3Å; M33-I37 WeakPolarHBondContact O-CG1 3.43Å; M33-I37 PolarHBondContact O-N 3.4Å; M33-W95 HydrophobicContact CE-CH2 3.31Å; M33-W95 HydrophobicContact CE-CZ2 3.3Å; M33-W95 HydrophobicContact CE-CZ3 4.34Å; M33-W95 HydrophobicContact SD-CH2 3.94Å; M33-W95 HydrophobicContact SD-CZ2 4.44Å
34I94.6Very high93.2Very high0 Ų049.7 Ų49.70%027%0.265CS..Hα-helixtrans-66.5-42.9175.3-61.6-178.5000109.7L22 I25 M29 N30 V31 S32 D36 I37 M38 L49 V67 W100L22-I34 HydrophobicContact CD1-CD1 4.29Å; L22-I34 HydrophobicContact CD1-CG2 3.97Å; I25-I34 HydrophobicContact CD1-CD1 4.05Å; I25-I34 HydrophobicContact CG2-CD1 3.68Å; M29-I34 HydrophobicContact CB-CD1 4.43Å; M29-I34 HydrophobicContact CB-CG1 4.26Å; M29-I34 HydrophobicContact CE-CG1 3.66Å; M29-I34 HydrophobicContact SD-CG1 4.4Å; N30-I34 PolarHBondContact O-N 3.32Å; N30-I34 VanDerWaalsContact O-N 3.15Å; V31-I34 PolarHBondContact O-N 3.22Å; S32-I34 PolarHBondContact O-N 3.26Å; I34-D36 PolarHBondContact O-N 2.66Å; I34-I37 PolarHBondContact O-N 2.81Å; I34-M38 HydrophobicContact CG2-CE 4.47Å; I34-M38 HydrophobicContact CG2-CG 4.04Å; I34-M38 VanDerWaalsContact O-CB 3.29Å; I34-M38 WeakPolarHBondContact O-CB 3.48Å; I34-M38 WeakPolarHBondContact O-CG 3.42Å; I34-M38 PolarHBondContact O-N 3.27Å; I34-L49 HydrophobicContact CD1-CD1 3.68Å; I34-L49 HydrophobicContact CD1-CD2 4.03Å; I34-V67 HydrophobicContact CG2-CG2 4.18Å; I34-W100 HydrophobicContact CG1-CH2 4.38Å
35S95Very high93.2Very high35 Ų3548.2 Ų48.225%0.24526%0.264CS..Hα-helixtrans-55.6-50.7174.4-168.70000110.9V31 S32 M33 I37 M38 Q39 I44V31-S35 WeakPolarHBondContact O-CB 3.47Å; V31-S35 PolarHBondContact O-N 3.46Å; S32-S35 VanDerWaalsContact O-CB 3.32Å; S32-S35 WeakPolarHBondContact O-CB 3.3Å; S32-S35 PolarHBondContact O-N 3.38Å; M33-S35 VanDerWaalsContact C-N 3.35Å; S35-I37 VanDerWaalsContact C-N 3.35Å; S35-I37 PolarHBondContact O-N 3.28Å; S35-M38 PolarHBondContact O-N 3.03Å; S35-Q39 WeakPolarHBondContact O-CB 3.38Å; S35-Q39 PolarHBondContact O-N 2.88Å; S35-I44 WeakPolarHBondContact O-CD1 3.21Å
36D94.3Very high93.2Very high95 Ų9554 Ų5451%0.50829%0.286SS..Hα-helixtrans-63.5-37.9-177.6-61.8-27.5000112.7S32 M33 I34 Q40S32-D36 PolarHBondContact O-N 2.92Å; S32-D36 VanDerWaalsContact O-OD2 3.13Å; M33-D36 PolarHBondContact O-N 3.37Å; I34-D36 PolarHBondContact O-N 2.66Å; D36-Q40 PolarHBondContact O-NE2 3.38Å
37I93.7Very high93.5Very high39 Ų3955.4 Ų55.420%0.230%0.295CS..Hα-helixtrans-68.5-47.2176.1-70.5164.9000110.5M29 M33 I34 S35 Q39 Q40 F41 W100M29-I37 HydrophobicContact CE-CD1 3.43Å; M29-I37 VanDerWaalsContact CE-CD1 3.43Å; M33-I37 WeakPolarHBondContact O-CD1 3.44Å; M33-I37 VanDerWaalsContact O-CG1 3.3Å; M33-I37 WeakPolarHBondContact O-CG1 3.43Å; M33-I37 PolarHBondContact O-N 3.4Å; I34-I37 PolarHBondContact O-N 2.81Å; S35-I37 VanDerWaalsContact C-N 3.35Å; S35-I37 PolarHBondContact O-N 3.28Å; I37-Q39 VanDerWaalsContact C-N 3.29Å; I37-Q39 PolarHBondContact O-N 3.11Å; I37-Q40 WeakPolarHBondContact O-CB 3.38Å; I37-Q40 PolarHBondContact O-N 3.19Å; I37-F41 HydrophobicContact CG2-CE2 4.44Å; I37-F41 WeakPolarHBondContact O-CD2 3.4Å; I37-F41 WeakPolarHBondContact O-CE2 3.49Å; I37-W100 HydrophobicContact CD1-CZ2 4.24Å; I37-W100 HydrophobicContact CG2-CZ2 4.24Å
38M94.2Very high93.8Very high0 Ų057.1 Ų57.10%030%0.297CS..Hα-helixtrans-68.9-31.9-177-67-64.2171.900111.2L22 I34 S35 Q40 F41 I44 V67 F69 V78 L82 W100 I102L22-M38 HydrophobicContact CD2-CE 4.31Å; I34-M38 HydrophobicContact CG2-CE 4.47Å; I34-M38 HydrophobicContact CG2-CG 4.04Å; I34-M38 VanDerWaalsContact O-CB 3.29Å; I34-M38 WeakPolarHBondContact O-CB 3.48Å; I34-M38 WeakPolarHBondContact O-CG 3.42Å; I34-M38 PolarHBondContact O-N 3.27Å; S35-M38 PolarHBondContact O-N 3.03Å; M38-Q40 PolarHBondContact O-N 2.96Å; M38-F41 PolarHBondContact O-N 3.12Å; M38-I44 VanDerWaalsContact C-CD1 3.48Å; M38-I44 HydrophobicContact CB-CD1 3.31Å; M38-I44 HydrophobicContact CB-CG1 4.33Å; M38-V67 HydrophobicContact CB-CG1 4.38Å; M38-V67 HydrophobicContact CG-CG1 4.4Å; M38-F69 HydrophobicContact CB-CZ 3.95Å; M38-F69 HydrophobicContact SD-CZ 4.31Å; M38-V78 HydrophobicContact SD-CG1 4Å; M38-L82 HydrophobicContact CE-CD1 3.87Å; M38-L82 HydrophobicContact SD-CD1 3.72Å; M38-W100 HydrophobicContact CE-CH2 4.21Å; M38-W100 HydrophobicContact CE-CZ2 4.47Å; M38-W100 HydrophobicContact CE-CZ3 4.23Å; M38-I102 HydrophobicContact CE-CD1 3.71Å
39Q94.5Very high94.1Very high93 Ų9357.2 Ų57.244%0.43530%0.296SS..Hα-helixtrans-63.6-26.3-177.7-170.1752200111.6S35 I37 F41 G42 I44S35-Q39 WeakPolarHBondContact O-CB 3.38Å; S35-Q39 PolarHBondContact O-N 2.88Å; I37-Q39 VanDerWaalsContact C-N 3.29Å; I37-Q39 PolarHBondContact O-N 3.11Å; Q39-F41 PolarHBondContact O-N 3.08Å; Q39-G42 WeakPolarHBondContact CA-O 3.41Å; Q39-G42 PolarHBondContact O-N 3.15Å; Q39-I44 HydrophobicContact CB-CD1 4.11Å; Q39-I44 VanDerWaalsContact N-CD1 3.29Å
40Q93.3Very high94.2Very high136 Ų13658.7 Ų58.764%0.63631%0.305SS*.THydrogen-bonded Turntrans-64.9-22.2175.8-67.1170.960.100112.9D36 I37 M38D36-Q40 PolarHBondContact O-NE2 3.38Å; I37-Q40 WeakPolarHBondContact O-CB 3.38Å; I37-Q40 PolarHBondContact O-N 3.19Å; M38-Q40 PolarHBondContact O-N 2.96Å
41F92.9Very high94.2Very high49 Ų4957.5 Ų57.522%0.21530%0.302CS..THydrogen-bonded Turntrans-94.5-18179.4-59.2-83.4000113.5I37 M38 Q39 I74 V78 L82I37-F41 HydrophobicContact CG2-CE2 4.44Å; I37-F41 WeakPolarHBondContact O-CD2 3.4Å; I37-F41 WeakPolarHBondContact O-CE2 3.49Å; M38-F41 PolarHBondContact O-N 3.12Å; Q39-F41 PolarHBondContact O-N 3.08Å; F41-I74 WeakPolarHBondContact O-CG2 3.43Å; F41-V78 HydrophobicContact CB-CG2 3.37Å; F41-V78 HydrophobicContact CD1-CG2 4.33Å; F41-V78 HydrophobicContact CG-CG2 3.88Å; F41-L82 HydrophobicContact CD2-CD1 4.24Å; F41-L82 HydrophobicContact CE1-CD2 4.38Å; F41-L82 HydrophobicContact CE2-CD1 3.75Å; F41-L82 HydrophobicContact CE2-CD2 4.17Å; F41-L82 HydrophobicContact CE2-CG 4.32Å; F41-L82 HydrophobicContact CZ-CD1 4.06Å; F41-L82 HydrophobicContact CZ-CD2 3.69Å; F41-L82 HydrophobicContact CZ-CG 4.12Å
42G92.7Very high94.1Very high17 Ų1759.2 Ų59.218%0.17531%0.305CS..SBendtrans165.517517800000112.8Q39 I44Q39-G42 WeakPolarHBondContact CA-O 3.41Å; Q39-G42 PolarHBondContact O-N 3.15Å; G42-I44 PolarHBondContact O-N 3.42Å
43K94.2Very high93.8Very high151 Ų15165.8 Ų65.866%0.65732%0.324SS*.  trans-69.2125.6-180-63.7-179.2-178.5176.60111.1L70K43-L70 HydrophobicContact CB-CB 4.49Å; K43-L70 HydrophobicContact CB-CD1 3.62Å; K43-L70 HydrophobicContact CB-CG 4.12Å; K43-L70 HydrophobicContact CD-CD1 4.17Å; K43-L70 PolarHBondContact O-N 3.46Å
44I94.5Very high93.4Very high22 Ų2271.1 Ų71.111%0.11335%0.345CS..EExtended strand (participates in β ladder)trans-97.3146.9176.8-62.1169000109.6S35 M38 Q39 G42 V47 V67 E68 F69S35-I44 WeakPolarHBondContact O-CD1 3.21Å; M38-I44 VanDerWaalsContact C-CD1 3.48Å; M38-I44 HydrophobicContact CB-CD1 3.31Å; M38-I44 HydrophobicContact CB-CG1 4.33Å; Q39-I44 HydrophobicContact CB-CD1 4.11Å; Q39-I44 VanDerWaalsContact N-CD1 3.29Å; G42-I44 PolarHBondContact O-N 3.42Å; I44-V47 HydrophobicContact CG2-CG2 3.74Å; I44-V67 HydrophobicContact CD1-CG1 4.41Å; I44-V67 HydrophobicContact CG1-CG1 4.47Å; I44-V67 HydrophobicContact CG2-CG1 4.14Å; I44-E68 WeakPolarHBondContact CA-O 3.48Å; I44-E68 VanDerWaalsContact CG2-O 3.31Å; I44-E68 WeakPolarHBondContact CG2-O 3.42Å; I44-F69 HydrophobicContact CG1-CD1 4.19Å; I44-F69 HydrophobicContact CG1-CE1 3.95Å; I44-F69 HydrophobicContact CG1-CZ 4.32Å
45G93.1Very high92.7Very high40 Ų4079 Ų7941%0.41238%0.38SS..EExtended strand (participates in β ladder)trans-94.6-94.2165.500000110.1E68G45-E68 PolarHBondContact N-O 3.25Å
46R94.4Very high91.9Very high128 Ų12881.7 Ų81.748%0.48340%0.395SS..EExtended strand (participates in β ladder)trans-102.6148-173.8-59.2167.8-172.9-178.43.2112.6E68 W110R46-E68 HydrophobicContact CB-CB 4.35Å; R46-E68 WeakPolarHBondContact CB-OE2 3.41Å; R46-E68 WeakPolarHBondContact CD-OE2 3.16Å; R46-E68 VanDerWaalsContact CG-OE2 3.31Å; R46-E68 WeakPolarHBondContact CG-OE2 3.46Å; R46-E68 PolarHBondContact N-OE2 2.99Å; R46-E68 IonicContact NE-OE2 3.95Å; R46-E68 PolarHBondContact O-N 3.13Å; R46-W110 HydrophobicContact CB-CD2 3.94Å; R46-W110 HydrophobicContact CB-CE3 3.92Å; R46-W110 HydrophobicContact CB-CH2 3.5Å; R46-W110 HydrophobicContact CB-CZ2 3.53Å; R46-W110 HydrophobicContact CB-CZ3 3.71Å; R46-W110 HydrophobicContact CG-CD2 4.47Å; R46-W110 HydrophobicContact CG-CZ2 4.49Å
47V96Very high91.2Very high33 Ų3379.9 Ų79.920%0.240%0.398CS..EExtended strand (participates in β ladder)trans-132.1130.1172.5-176.70000108.8V31 I44 L49 W66 V67V31-V47 HydrophobicContact CG1-CB 4.12Å; V31-V47 HydrophobicContact CG1-CG1 3.85Å; I44-V47 HydrophobicContact CG2-CG2 3.74Å; V47-L49 HydrophobicContact CG1-CD2 4.5Å; V47-W66 WeakPolarHBondContact CA-O 3.41Å; V47-V67 HydrophobicContact CG1-CG2 4.14Å; V47-V67 HydrophobicContact CG2-CG1 4.28Å; V47-V67 HydrophobicContact CG2-CG2 4.43Å
48Y95.3Very high90.7Very high92 Ų9286 Ų8636%0.36142%0.424SS..EExtended strand (participates in β ladder)trans-136.2131.8177.1-178.6-108.7000110.2V50 G65 W66 F114Y48-V50 HydrophobicContact CE1-CG2 3.92Å; Y48-G65 CarbonylContact O-C 3.57Å; Y48-G65 WeakPolarHBondContact O-CA 3.29Å; Y48-W66 AromaticContact CD1-CE3 3.62Å; Y48-W66 HydrophobicContact CD1-CE3 3.62Å; Y48-W66 AromaticContact CD1-CZ3 3.59Å; Y48-W66 HydrophobicContact CD1-CZ3 3.59Å; Y48-W66 HydrophobicContact CE1-CE3 4.35Å; Y48-W66 AromaticContact CE1-CZ3 3.85Å; Y48-W66 HydrophobicContact CE1-CZ3 3.85Å; Y48-W66 PolarHBondContact N-O 3.06Å; Y48-W66 PolarHBondContact O-N 3.29Å; Y48-F114 AromaticContact CD1-CE1 3.74Å; Y48-F114 HydrophobicContact CD1-CE1 3.74Å; Y48-F114 AromaticContact CD1-CZ 3.38Å; Y48-F114 HydrophobicContact CD1-CZ 3.38Å; Y48-F114 AromaticContact CE1-CE1 3.58Å; Y48-F114 HydrophobicContact CE1-CE1 3.58Å; Y48-F114 AromaticContact CE1-CZ 3.75Å; Y48-F114 HydrophobicContact CE1-CZ 3.75Å; Y48-F114 HydrophobicContact CG-CZ 4.03Å
49L95.4Very high90.2Very high8 Ų891.1 Ų91.14%0.04244%0.444CS..EExtended strand (participates in β ladder)trans-126.8130.4178.1-55.2-178.2000108.9L22 I25 V31 I34 V47 P51 Y62 E64L22-L49 HydrophobicContact CD1-CD2 4.29Å; I25-L49 HydrophobicContact CD1-CD2 3.67Å; I25-L49 HydrophobicContact CG1-CD2 4.14Å; I25-L49 HydrophobicContact CG2-CD1 4.45Å; V31-L49 HydrophobicContact CB-CD1 4.31Å; V31-L49 HydrophobicContact CG2-CB 4.32Å; V31-L49 HydrophobicContact CG2-CD1 3.66Å; V31-L49 HydrophobicContact CG2-CG 3.94Å; I34-L49 HydrophobicContact CD1-CD1 3.68Å; I34-L49 HydrophobicContact CD1-CD2 4.03Å; V47-L49 HydrophobicContact CG1-CD2 4.5Å; L49-P51 WeakPolarHBondContact O-CD 3.4Å; L49-Y62 HydrophobicContact CB-CD1 3.3Å; L49-Y62 HydrophobicContact CB-CD2 4.45Å; L49-Y62 HydrophobicContact CB-CE1 3.76Å; L49-Y62 HydrophobicContact CB-CG 3.68Å; L49-Y62 HydrophobicContact CD1-CD1 4.16Å; L49-Y62 HydrophobicContact CD1-CD2 3.87Å; L49-Y62 HydrophobicContact CD1-CE1 4.31Å; L49-Y62 HydrophobicContact CD1-CE2 4.06Å; L49-Y62 HydrophobicContact CD1-CG 3.92Å; L49-Y62 HydrophobicContact CG-CD1 4.4Å; L49-Y62 HydrophobicContact CG-CG 4.46Å; L49-E64 CarbonylContact C-O 3.58Å; L49-E64 WeakPolarHBondContact CA-O 3.39Å
50V93.9Very high89.8Confident31 Ų3193.8 Ų93.819%0.18845%0.45CS..EExtended strand (participates in β ladder)trans-78.7116.2178.6-1760000108.9Y48 Y62 E63 E64 W66Y48-V50 HydrophobicContact CE1-CG2 3.92Å; V50-Y62 CarbonylContact O-C 3.46Å; V50-Y62 WeakPolarHBondContact O-CA 3.17Å; V50-Y62 WeakPolarHBondContact O-CB 3.31Å; V50-E63 PolarHBondContact O-N 2.94Å; V50-E64 HydrophobicContact CB-CG 3.99Å; V50-E64 HydrophobicContact CG2-CG 3.61Å; V50-E64 PolarHBondContact N-O 3.49Å; V50-W66 HydrophobicContact CG2-CH2 3.83Å; V50-W66 HydrophobicContact CG2-CZ3 3.48Å; V50-W66 VanDerWaalsContact CG2-CZ3 3.48Å
51P93.5Very high89.7Confident50 Ų5089 Ų8933%0.32543%0.428SS..EExtended strand (participates in β ladder)trans-70.4138.6177.929.9-33.8000110.8L49 K53 Y62L49-P51 WeakPolarHBondContact O-CD 3.4Å; P51-K53 PolarHBondContact O-N 2.94Å; P51-Y62 HydrophobicContact CB-CD1 4.35Å; P51-Y62 HydrophobicContact CB-CE1 4.44Å
52K91.7Very high89.8Confident89 Ų8987.6 Ų87.639%0.38742%0.421SS..PPolyproline II helixtrans-64.3134.5172.3-71.1-169.8179.1177.80110.5K54 Q61 Y62 E63K52-K54 VanDerWaalsContact C-N 3.26Å; K52-K54 PolarHBondContact O-N 3.21Å; K52-Q61 HydrophobicContact CB-CB 4.45Å; K52-Q61 HydrophobicContact CD-CB 3.9Å; K52-Q61 HydrophobicContact CG-CB 4.24Å; K52-Q61 PolarHBondContact N-O 3.16Å; K52-Y62 WeakPolarHBondContact CE-O 3.43Å; K52-E63 HydrophobicContact CG-CB 4.06Å
53K88.3Confident89.8Confident213 Ų21392 Ų9293%0.92644%0.437SS*.SBendtrans-59.7-34.6179.3-65.9-177.4-178.8177.40113P51P51-K53 PolarHBondContact O-N 2.94Å
54K85.1Confident89.8Confident172 Ų17287.6 Ų87.675%0.74842%0.418SS*.SBendtrans-103.7122.2177.2-64.5-175.9-178.51800109.3K52 V56K52-K54 VanDerWaalsContact C-N 3.26Å; K52-K54 PolarHBondContact O-N 3.21Å; K54-V56 HydrophobicContact CB-CG2 4.45Å; K54-V56 PolarHBondContact O-N 2.66Å; K54-V56 VanDerWaalsContact O-N 3.16Å
55K80.3Confident89.9Confident166 Ų16686.5 Ų86.572%0.72241%0.413SS*.  trans-71.8106.4170.3-174.8178.2-180-1780108.5
56V78.3Confident90Very high92 Ų9286 Ų8656%0.55840%0.399SS*.  trans-107117171.7-176.60000107.9K54 Q61K54-V56 HydrophobicContact CB-CG2 4.45Å; K54-V56 PolarHBondContact O-N 2.66Å; K54-V56 VanDerWaalsContact O-N 3.16Å; V56-Q61 PolarHBondContact O-OE1 2.85Å; V56-Q61 VanDerWaalsContact O-OE1 3.12Å
57G80.1Confident90.1Very high57 Ų5779.9 Ų79.959%0.58838%0.376SS*.SBendtrans87.4-170.6178.600000115.2
58K83.2Confident90.1Very high168 Ų16879.2 Ų79.273%0.7337%0.37SS*.SBendtrans-73.4-33.7-171.2-171.6176.8179.5-177.70112.9
59Y83.3Confident90.2Very high107 Ų10774.9 Ų74.942%0.4235%0.353SS..SBendtrans-100.8158.4-170.9-50.2-71.4000111.9Q61 P94Y59-Q61 PolarHBondContact O-N 2.84Å; Y59-P94 HydrophobicContact CD2-CG 4.09Å; Y59-P94 HydrophobicContact CE2-CB 4.26Å; Y59-P94 HydrophobicContact CE2-CG 3.47Å; Y59-P94 VanDerWaalsContact CE2-CG 3.47Å
60R86.5Confident90.1Very high148 Ų14878.3 Ų78.356%0.55837%0.371SS*.  trans-69.6129.5169-171.5170.4-177.7170.30.5107.8Y62R60-Y62 HydrophobicContact CG-CE2 4.28Å
61Q90.7Very high90Very high37 Ų3778.2 Ų78.217%0.17337%0.37CS..  trans-110.1148.8178.6-67.1-179.7-40.100109.6N27 K52 V56 Y59N27-Q61 PolarHBondContact OD1-NE2 3.06Å; K52-Q61 HydrophobicContact CB-CB 4.45Å; K52-Q61 HydrophobicContact CD-CB 3.9Å; K52-Q61 HydrophobicContact CG-CB 4.24Å; K52-Q61 PolarHBondContact N-O 3.16Å; V56-Q61 PolarHBondContact O-OE1 2.85Å; V56-Q61 VanDerWaalsContact O-OE1 3.12Å; Y59-Q61 PolarHBondContact O-N 2.84Å
62Y94.5Very high90Very high18 Ų1880.3 Ų80.37%0.07137%0.374CS..EExtended strand (participates in β ladder)trans-119.5146.9177.4-58.7-85.9000108.9I25 M29 L49 V50 P51 K52 R60I25-Y62 HydrophobicContact CG2-CD2 4.26Å; M29-Y62 WeakPolarHBondContact O-CE2 3.29Å; L49-Y62 HydrophobicContact CB-CD1 3.3Å; L49-Y62 HydrophobicContact CB-CD2 4.45Å; L49-Y62 HydrophobicContact CB-CE1 3.76Å; L49-Y62 HydrophobicContact CB-CG 3.68Å; L49-Y62 HydrophobicContact CD1-CD1 4.16Å; L49-Y62 HydrophobicContact CD1-CD2 3.87Å; L49-Y62 HydrophobicContact CD1-CE1 4.31Å; L49-Y62 HydrophobicContact CD1-CE2 4.06Å; L49-Y62 HydrophobicContact CD1-CG 3.92Å; L49-Y62 HydrophobicContact CG-CD1 4.4Å; L49-Y62 HydrophobicContact CG-CG 4.46Å; V50-Y62 CarbonylContact O-C 3.46Å; V50-Y62 WeakPolarHBondContact O-CA 3.17Å; V50-Y62 WeakPolarHBondContact O-CB 3.31Å; P51-Y62 HydrophobicContact CB-CD1 4.35Å; P51-Y62 HydrophobicContact CB-CE1 4.44Å; K52-Y62 WeakPolarHBondContact CE-O 3.43Å; R60-Y62 HydrophobicContact CG-CE2 4.28Å
63E93.3Very high90.1Very high111 Ų11181 Ų8152%0.51938%0.377SS..EExtended strand (participates in β ladder)trans-85-56.9-179.8-170.1162.6-178.900109.7V50 K52V50-E63 PolarHBondContact O-N 2.94Å; K52-E63 HydrophobicContact CG-CB 4.06Å
64E94.4Very high90.4Very high57 Ų5772.9 Ų72.927%0.26634%0.343SS..EExtended strand (participates in β ladder)trans-143.3174.1-179.362.7-177174.300110.6Y21 L22 L49 V50 W66Y21-E64 HydrophobicContact CE2-CB 3.95Å; Y21-E64 HydrophobicContact CE2-CG 4.43Å; Y21-E64 VanDerWaalsContact CE2-OE2 3.3Å; Y21-E64 WeakPolarHBondContact CE2-OE2 3.46Å; Y21-E64 PolarHBondContact OH-OE2 3.34Å; L22-E64 CarbonylContact O-C 3.43Å; L22-E64 VanDerWaalsContact O-CA 3.32Å; L22-E64 WeakPolarHBondContact O-CA 3.47Å; L49-E64 CarbonylContact C-O 3.58Å; L49-E64 WeakPolarHBondContact CA-O 3.39Å; V50-E64 HydrophobicContact CB-CG 3.99Å; V50-E64 HydrophobicContact CG2-CG 3.61Å; V50-E64 PolarHBondContact N-O 3.49Å; E64-W66 HydrophobicContact CG-CH2 3.9Å; E64-W66 HydrophobicContact CG-CZ2 4.46Å; E64-W66 HydrophobicContact CG-CZ3 4.3Å; E64-W66 WeakPolarHBondContact OE1-CH2 3.49Å
65G96.2Very high90.8Very high0 Ų064.7 Ų64.70%031%0.308CS..EExtended strand (participates in β ladder)trans-165.8171.6175.100000115Y21 L22 Y48Y21-G65 WeakPolarHBondContact CD2-O 3.37Å; L22-G65 PolarHBondContact N-O 2.83Å; L22-G65 PolarHBondContact O-N 3.46Å; Y48-G65 CarbonylContact O-C 3.57Å; Y48-G65 WeakPolarHBondContact O-CA 3.29Å
66W96.6Very high91.6Very high29 Ų2962.2 Ų62.211%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-133.7137.3178.9-57.8-97.3000110.3I19 I20 Y21 V47 Y48 V50 E64 W110 L113 F114I19-W66 HydrophobicContact CG2-CB 4.13Å; I19-W66 HydrophobicContact CG2-CG 4.48Å; I20-W66 CarbonylContact O-C 3.59Å; I20-W66 VanDerWaalsContact O-CA 3.3Å; I20-W66 WeakPolarHBondContact O-CA 3.46Å; Y21-W66 AromaticContact CD2-CD1 3.89Å; Y21-W66 HydrophobicContact CD2-CD2 4.5Å; Y21-W66 AromaticContact CD2-CE2 3.87Å; Y21-W66 HydrophobicContact CD2-CZ2 4.35Å; Y21-W66 AromaticContact CD2-NE1 3.44Å; Y21-W66 HydrophobicContact CE2-CZ2 4.11Å; V47-W66 WeakPolarHBondContact CA-O 3.41Å; Y48-W66 AromaticContact CD1-CE3 3.62Å; Y48-W66 HydrophobicContact CD1-CE3 3.62Å; Y48-W66 AromaticContact CD1-CZ3 3.59Å; Y48-W66 HydrophobicContact CD1-CZ3 3.59Å; Y48-W66 HydrophobicContact CE1-CE3 4.35Å; Y48-W66 AromaticContact CE1-CZ3 3.85Å; Y48-W66 HydrophobicContact CE1-CZ3 3.85Å; Y48-W66 PolarHBondContact N-O 3.06Å; Y48-W66 PolarHBondContact O-N 3.29Å; V50-W66 HydrophobicContact CG2-CH2 3.83Å; V50-W66 HydrophobicContact CG2-CZ3 3.48Å; V50-W66 VanDerWaalsContact CG2-CZ3 3.48Å; E64-W66 HydrophobicContact CG-CH2 3.9Å; E64-W66 HydrophobicContact CG-CZ2 4.46Å; E64-W66 HydrophobicContact CG-CZ3 4.3Å; E64-W66 WeakPolarHBondContact OE1-CH2 3.49Å; W66-W110 HydrophobicContact CB-CH2 4.39Å; W66-W110 HydrophobicContact CB-CZ3 4.17Å; W66-L113 HydrophobicContact CB-CD1 3.85Å; W66-L113 HydrophobicContact CD2-CD1 4.2Å; W66-L113 HydrophobicContact CG-CD1 3.59Å; W66-L113 HydrophobicContact CG-CD2 4.44Å; W66-F114 HydrophobicContact CE3-CZ 4.21Å; W66-F114 HydrophobicContact CZ3-CE1 4.28Å; W66-F114 HydrophobicContact CZ3-CZ 4.32Å
67V96.7Very high92.3Very high0 Ų062.8 Ų62.80%029%0.289CS..EExtended strand (participates in β ladder)trans-124.2122.6176.6178.90000108I19 I20 L22 I34 M38 I44 V47 F69I19-V67 WeakPolarHBondContact CA-O 3.26Å; I20-V67 HydrophobicContact CB-CB 4.48Å; I20-V67 PolarHBondContact N-O 3.21Å; I20-V67 PolarHBondContact O-N 3.11Å; L22-V67 HydrophobicContact CD1-CG2 3.89Å; L22-V67 HydrophobicContact CG-CG2 4.44Å; I34-V67 HydrophobicContact CG2-CG2 4.18Å; M38-V67 HydrophobicContact CB-CG1 4.38Å; M38-V67 HydrophobicContact CG-CG1 4.4Å; I44-V67 HydrophobicContact CD1-CG1 4.41Å; I44-V67 HydrophobicContact CG1-CG1 4.47Å; I44-V67 HydrophobicContact CG2-CG1 4.14Å; V47-V67 HydrophobicContact CG1-CG2 4.14Å; V47-V67 HydrophobicContact CG2-CG1 4.28Å; V47-V67 HydrophobicContact CG2-CG2 4.43Å; V67-F69 HydrophobicContact CG1-CD2 4.18Å; V67-F69 HydrophobicContact CG1-CE2 3.73Å; V67-F69 HydrophobicContact CG1-CZ 4.38Å
68E96Very high93.1Very high19 Ų1960.2 Ų60.29%0.08926%0.262CS..EExtended strand (participates in β ladder)trans-95.4121175.5179.4-176.8-129.500110P17 I19 I44 G45 R46 W110P17-E68 HydrophobicContact CB-CG 4.03Å; I19-E68 HydrophobicContact CG1-CB 4.4Å; I19-E68 HydrophobicContact CG1-CG 4.5Å; I44-E68 WeakPolarHBondContact CA-O 3.48Å; I44-E68 VanDerWaalsContact CG2-O 3.31Å; I44-E68 WeakPolarHBondContact CG2-O 3.42Å; G45-E68 PolarHBondContact N-O 3.25Å; R46-E68 HydrophobicContact CB-CB 4.35Å; R46-E68 WeakPolarHBondContact CB-OE2 3.41Å; R46-E68 WeakPolarHBondContact CD-OE2 3.16Å; R46-E68 VanDerWaalsContact CG-OE2 3.31Å; R46-E68 WeakPolarHBondContact CG-OE2 3.46Å; R46-E68 PolarHBondContact N-OE2 2.99Å; R46-E68 IonicContact NE-OE2 3.95Å; R46-E68 PolarHBondContact O-N 3.13Å; E68-W110 HydrophobicContact CB-CE3 3.71Å; E68-W110 HydrophobicContact CB-CZ3 3.77Å; E68-W110 HydrophobicContact CG-CE3 4.45Å
69F95.5Very high93.7Very high0 Ų052.5 Ų52.50%023%0.229CC..EExtended strand (participates in β ladder)trans-93.4144.1165.5-73.6-95000109.5P17 G18 I20 M38 I44 V67 N71 I74 A75 V78P17-F69 VanDerWaalsContact CA-O 3.29Å; P17-F69 WeakPolarHBondContact CA-O 3Å; G18-F69 PolarHBondContact N-O 3.44Å; G18-F69 PolarHBondContact O-N 3.05Å; I20-F69 HydrophobicContact CD1-CD2 3.82Å; I20-F69 HydrophobicContact CD1-CE2 3.4Å; I20-F69 VanDerWaalsContact CD1-CE2 3.4Å; I20-F69 HydrophobicContact CD1-CZ 4.36Å; I20-F69 HydrophobicContact CG1-CD2 4.04Å; I20-F69 HydrophobicContact CG1-CE2 4.04Å; M38-F69 HydrophobicContact CB-CZ 3.95Å; M38-F69 HydrophobicContact SD-CZ 4.31Å; I44-F69 HydrophobicContact CG1-CD1 4.19Å; I44-F69 HydrophobicContact CG1-CE1 3.95Å; I44-F69 HydrophobicContact CG1-CZ 4.32Å; V67-F69 HydrophobicContact CG1-CD2 4.18Å; V67-F69 HydrophobicContact CG1-CE2 3.73Å; V67-F69 HydrophobicContact CG1-CZ 4.38Å; F69-N71 PolarHBondContact O-N 3.01Å; F69-I74 HydrophobicContact CD1-CG2 3.66Å; F69-I74 HydrophobicContact CE1-CG2 4.01Å; F69-I74 HydrophobicContact CG-CG2 4.34Å; F69-A75 HydrophobicContact CB-CB 4.06Å; F69-A75 HydrophobicContact CD2-CB 4.07Å; F69-A75 HydrophobicContact CG-CB 4.31Å; F69-V78 HydrophobicContact CE1-CG2 4.25Å; F69-V78 HydrophobicContact CE2-CG1 4.3Å; F69-V78 HydrophobicContact CZ-CB 4.33Å; F69-V78 HydrophobicContact CZ-CG1 4.02Å; F69-V78 HydrophobicContact CZ-CG2 4.07Å
70L93.7Very high94.3Very high81 Ų8155 Ų5542%0.42424%0.243SC..SBendtrans-62.1-24.9176.2-62.7-175.8000112.6V16 K43V16-L70 CarbonylContact C-O 3.54Å; K43-L70 HydrophobicContact CB-CB 4.49Å; K43-L70 HydrophobicContact CB-CD1 3.62Å; K43-L70 HydrophobicContact CB-CG 4.12Å; K43-L70 HydrophobicContact CD-CD1 4.17Å; K43-L70 PolarHBondContact O-N 3.46Å
71N93Very high94.6Very high28 Ų2854.7 Ų54.715%0.1524%0.241CC..SBendtrans-122.3121.1178-171.5-30000111.4V12 F69 K73 I74 A75V12-N71 PolarHBondContact O-ND2 3.47Å; F69-N71 PolarHBondContact O-N 3.01Å; N71-K73 PolarHBondContact O-N 2.89Å; N71-K73 WeakPolarHBondContact OD1-CB 3.44Å; N71-K73 PolarHBondContact OD1-N 3.24Å; N71-I74 HydrophobicContact CB-CB 4.45Å; N71-I74 HydrophobicContact CB-CD1 4.06Å; N71-I74 HydrophobicContact CB-CG1 4.14Å; N71-I74 WeakPolarHBondContact O-CB 3.44Å; N71-I74 PolarHBondContact O-N 2.89Å; N71-I74 VanDerWaalsContact O-N 3.13Å; N71-A75 PolarHBondContact O-N 2.81Å; N71-A75 VanDerWaalsContact O-N 3.11Å
72K93.6Very high94.8Very high95 Ų9553.6 Ų53.641%0.41324%0.237SC..Hα-helixtrans-58.9-29.4178.376.4-178.7-178.5-173.70114.7V16 A75 K76V16-K72 HydrophobicContact CB-CD 4.26Å; V16-K72 HydrophobicContact CG1-CD 4.08Å; V16-K72 PolarHBondContact O-N 2.89Å; K72-A75 PolarHBondContact O-N 3.03Å; K72-K76 WeakPolarHBondContact O-CB 3.19Å; K72-K76 PolarHBondContact O-N 3.31Å
73K92.9Very high94.8Very high102 Ų10255.8 Ų55.844%0.44325%0.249SC..Hα-helixtrans-66.5-41.9177.9-67.6-172.8175.9-175.90110.7V12 N71 K76 R77V12-K73 HydrophobicContact CB-CD 4.08Å; V12-K73 HydrophobicContact CG1-CD 3.85Å; V12-K73 VanDerWaalsContact CG1-CE 3.48Å; V12-K73 HydrophobicContact CG2-CD 4Å; N71-K73 PolarHBondContact O-N 2.89Å; N71-K73 WeakPolarHBondContact OD1-CB 3.44Å; N71-K73 PolarHBondContact OD1-N 3.24Å; K73-K76 PolarHBondContact O-N 2.82Å; K73-R77 WeakPolarHBondContact O-CB 3.48Å; K73-R77 PolarHBondContact O-N 3.03Å
74I93.9Very high94.8Very high44 Ų4454.7 Ų54.723%0.22625%0.253CS..Hα-helixtrans-63.8-48.6174.5-62.5178.8000109.3F41 F69 N71 K76 R77 V78F41-I74 WeakPolarHBondContact O-CG2 3.43Å; F69-I74 HydrophobicContact CD1-CG2 3.66Å; F69-I74 HydrophobicContact CE1-CG2 4.01Å; F69-I74 HydrophobicContact CG-CG2 4.34Å; N71-I74 HydrophobicContact CB-CB 4.45Å; N71-I74 HydrophobicContact CB-CD1 4.06Å; N71-I74 HydrophobicContact CB-CG1 4.14Å; N71-I74 WeakPolarHBondContact O-CB 3.44Å; N71-I74 PolarHBondContact O-N 2.89Å; N71-I74 VanDerWaalsContact O-N 3.13Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 3.42Å; I74-R77 PolarHBondContact O-N 2.85Å; I74-V78 HydrophobicContact CG2-CG2 3.95Å; I74-V78 WeakPolarHBondContact O-CB 3.31Å; I74-V78 VanDerWaalsContact O-CG2 3.29Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 2.85Å
75A95.2Very high94.8Very high0 Ų054.4 Ų54.40%026%0.255CS..Hα-helixtrans-52.2-47.8177.100000112.3I20 F69 N71 K72 R77 V78 A79 F104I20-A75 HydrophobicContact CD1-CB 4.35Å; I20-A75 VanDerWaalsContact CD1-O 3.23Å; I20-A75 WeakPolarHBondContact CD1-O 3.05Å; I20-A75 HydrophobicContact CG1-CB 3.96Å; F69-A75 HydrophobicContact CB-CB 4.06Å; F69-A75 HydrophobicContact CD2-CB 4.07Å; F69-A75 HydrophobicContact CG-CB 4.31Å; N71-A75 PolarHBondContact O-N 2.81Å; N71-A75 VanDerWaalsContact O-N 3.11Å; K72-A75 PolarHBondContact O-N 3.03Å; A75-R77 PolarHBondContact O-N 3.32Å; A75-V78 PolarHBondContact O-N 3.2Å; A75-A79 WeakPolarHBondContact O-CB 3.44Å; A75-A79 PolarHBondContact O-N 2.93Å; A75-F104 HydrophobicContact CB-CD2 3.79Å; A75-F104 HydrophobicContact CB-CE2 3.79Å
76K95.1Very high94.7Very high113 Ų11360.2 Ų60.249%0.49128%0.283SS..Hα-helixtrans-64.3-39.5178.7-170.5176.9-176.4176.40112.6K72 K73 I74 K80 F104K72-K76 WeakPolarHBondContact O-CB 3.19Å; K72-K76 PolarHBondContact O-N 3.31Å; K73-K76 PolarHBondContact O-N 2.82Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 3.42Å; K76-K80 WeakPolarHBondContact O-CG 3.48Å; K76-K80 PolarHBondContact O-N 2.88Å; K76-F104 HydrophobicContact CB-CD1 4.41Å; K76-F104 HydrophobicContact CB-CD2 4.37Å; K76-F104 HydrophobicContact CB-CG 4.3Å; K76-F104 HydrophobicContact CG-CD1 4.34Å
77R94.9Very high94.5Very high104 Ų10459 Ų5939%0.39228%0.278SS..Hα-helixtrans-67.4-46.5177.5-175.7-174.8-63.6168-2.8111.2D10 K73 I74 A75 K80 R81D10-R77 IonicContact OD2-CZ 3.8Å; D10-R77 IonicContact OD2-NH2 2.66Å; D10-R77 PolarHBondContact OD2-NH2 2.82Å; K73-R77 WeakPolarHBondContact O-CB 3.48Å; K73-R77 PolarHBondContact O-N 3.03Å; I74-R77 PolarHBondContact O-N 2.85Å; A75-R77 PolarHBondContact O-N 3.32Å; R77-K80 PolarHBondContact O-N 3.09Å; R77-R81 WeakPolarHBondContact O-CB 3.23Å; R77-R81 PolarHBondContact O-N 3.49Å
78V95.4Very high94.1Very high3 Ų365.7 Ų65.72%0.01831%0.313CS..Hα-helixtrans-61-48.4178.9172.70000110.5I20 M38 F41 F69 I74 A75 K80 R81 L82I20-V78 HydrophobicContact CD1-CB 3.8Å; I20-V78 HydrophobicContact CD1-CG1 3.68Å; M38-V78 HydrophobicContact SD-CG1 4Å; F41-V78 HydrophobicContact CB-CG2 3.37Å; F41-V78 HydrophobicContact CD1-CG2 4.33Å; F41-V78 HydrophobicContact CG-CG2 3.88Å; F69-V78 HydrophobicContact CE1-CG2 4.25Å; F69-V78 HydrophobicContact CE2-CG1 4.3Å; F69-V78 HydrophobicContact CZ-CB 4.33Å; F69-V78 HydrophobicContact CZ-CG1 4.02Å; F69-V78 HydrophobicContact CZ-CG2 4.07Å; I74-V78 HydrophobicContact CG2-CG2 3.95Å; I74-V78 WeakPolarHBondContact O-CB 3.31Å; I74-V78 VanDerWaalsContact O-CG2 3.29Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 2.85Å; A75-V78 PolarHBondContact O-N 3.2Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 2.81Å; V78-R81 PolarHBondContact O-N 2.97Å; V78-R81 VanDerWaalsContact O-N 3.16Å; V78-L82 HydrophobicContact CG1-CD1 3.62Å; V78-L82 HydrophobicContact CG1-CG 4.21Å; V78-L82 WeakPolarHBondContact O-CB 3.38Å; V78-L82 PolarHBondContact O-N 2.93Å
79A96.1Very high93.7Very high6 Ų666.7 Ų66.75%0.0533%0.328CS..Hα-helixtrans-57.4-44.5177.100000111.9I20 A75 R81 N83 I102 F104I20-A79 HydrophobicContact CD1-CB 4.27Å; A75-A79 WeakPolarHBondContact O-CB 3.44Å; A75-A79 PolarHBondContact O-N 2.93Å; A79-R81 PolarHBondContact O-N 3.23Å; A79-N83 WeakPolarHBondContact O-CB 3.29Å; A79-N83 PolarHBondContact O-N 3.18Å; A79-N83 VanDerWaalsContact O-N 3.09Å; A79-I102 HydrophobicContact CB-CG2 4.19Å; A79-F104 HydrophobicContact CB-CB 3.75Å
80K95.5Very high93.4Very high161 Ų16169.8 Ų69.870%0.735%0.35SS*.Hα-helixtrans-65.5-37.4177.2-74.9-178175.4-165.40113.6K76 R77 V78K76-K80 WeakPolarHBondContact O-CG 3.48Å; K76-K80 PolarHBondContact O-N 2.88Å; R77-K80 PolarHBondContact O-N 3.09Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 2.81Å
81R94.2Very high93.2Very high140 Ų14074.3 Ų74.353%0.52837%0.366SS..Hα-helixtrans-80.5-39.2-175.2-175.7174.3-179.21641.5112.6R77 V78 A79 T85R77-R81 WeakPolarHBondContact O-CB 3.23Å; R77-R81 PolarHBondContact O-N 3.49Å; V78-R81 PolarHBondContact O-N 2.97Å; V78-R81 VanDerWaalsContact O-N 3.16Å; A79-R81 PolarHBondContact O-N 3.23Å; R81-T85 WeakPolarHBondContact O-CG2 3.42Å
82L93.9Very high93.2Very high15 Ų1584 Ų848%0.07940%0.401CS..Hα-helixtrans-90.8-25-175.1-71.4-176.9000113.4M38 F41 V78 C84 T85 W100 I102M38-L82 HydrophobicContact CE-CD1 3.87Å; M38-L82 HydrophobicContact SD-CD1 3.72Å; F41-L82 HydrophobicContact CD2-CD1 4.24Å; F41-L82 HydrophobicContact CE1-CD2 4.38Å; F41-L82 HydrophobicContact CE2-CD1 3.75Å; F41-L82 HydrophobicContact CE2-CD2 4.17Å; F41-L82 HydrophobicContact CE2-CG 4.32Å; F41-L82 HydrophobicContact CZ-CD1 4.06Å; F41-L82 HydrophobicContact CZ-CD2 3.69Å; F41-L82 HydrophobicContact CZ-CG 4.12Å; V78-L82 HydrophobicContact CG1-CD1 3.62Å; V78-L82 HydrophobicContact CG1-CG 4.21Å; V78-L82 WeakPolarHBondContact O-CB 3.38Å; V78-L82 PolarHBondContact O-N 2.93Å; L82-C84 PolarHBondContact O-N 2.85Å; L82-T85 WeakPolarHBondContact CA-OG1 3.4Å; L82-T85 WeakPolarHBondContact O-CB 3.26Å; L82-T85 PolarHBondContact O-N 2.99Å; L82-T85 PolarHBondContact O-OG1 3.12Å; L82-W100 WeakPolarHBondContact O-CB 3.3Å; L82-I102 HydrophobicContact CB-CD1 3.86Å; L82-I102 HydrophobicContact CD1-CD1 4.31Å
83N95.4Very high93Very high63 Ų6381.9 Ų81.934%0.33739%0.394SS..THydrogen-bonded Turntrans-58.9133.3179.7-173.753.7000111.1A79 T85 I102A79-N83 WeakPolarHBondContact O-CB 3.29Å; A79-N83 PolarHBondContact O-N 3.18Å; A79-N83 VanDerWaalsContact O-N 3.09Å; N83-T85 PolarHBondContact O-N 3.41Å; N83-I102 HydrophobicContact CB-CB 4.41Å; N83-I102 WeakPolarHBondContact CB-O 3.45Å; N83-I102 VanDerWaalsContact CG-O 3.3Å; N83-I102 PolarHBondContact OD1-N 3.29Å; N83-I102 PolarHBondContact OD1-O 3.46Å; N83-I102 VanDerWaalsContact OD1-O 3.11Å
84C93.6Very high92.8Very high89 Ų8979.8 Ų79.860%0.60139%0.391SS*.THydrogen-bonded Turntrans60.422.8-175.2-55.10000115.1L82 W100L82-C84 PolarHBondContact O-N 2.85Å; C84-W100 PolarHBondContact N-O 3.06Å
85T94.5Very high92.7Very high50 Ų5078.7 Ų78.731%0.30738%0.384SS..PPolyproline II helixtrans-101.9150.9171.265.70000111.2R81 L82 N83 L99 W100R81-T85 WeakPolarHBondContact O-CG2 3.42Å; L82-T85 WeakPolarHBondContact CA-OG1 3.4Å; L82-T85 WeakPolarHBondContact O-CB 3.26Å; L82-T85 PolarHBondContact O-N 2.99Å; L82-T85 PolarHBondContact O-OG1 3.12Å; N83-T85 PolarHBondContact O-N 3.41Å; T85-L99 WeakPolarHBondContact O-CA 3.45Å; T85-W100 PolarHBondContact O-N 2.92Å
86E93.8Very high92.5Very high123 Ų12383.2 Ų83.258%0.57540%0.404SS*.BIsolated β-bridgetrans-66.9141.6176.1-68.4179.9-175.400111.5L88 E98 L99E86-L88 PolarHBondContact O-N 3.16Å; E86-E98 WeakPolarHBondContact CA-O 3.3Å; E86-L99 HydrophobicContact CB-CD2 4.4Å; E86-L99 HydrophobicContact CG-CD2 3.63Å
87V92.2Very high92.3Very high4 Ų479.8 Ų79.82%0.02440%0.4CS..PPolyproline II helixtrans-69.3118173.5-175.50000108.8P26 M29 G89 W95 E98 W100P26-V87 HydrophobicContact CB-CG2 4.09Å; P26-V87 HydrophobicContact CG-CG2 3.51Å; M29-V87 HydrophobicContact CE-CG1 4.43Å; M29-V87 HydrophobicContact SD-CG1 3.95Å; V87-G89 PolarHBondContact O-N 2.83Å; V87-W95 VanDerWaalsContact CG1-CD1 3.43Å; V87-W95 HydrophobicContact CG1-CG 4.33Å; V87-E98 WeakPolarHBondContact CG2-O 3.14Å; V87-E98 PolarHBondContact N-O 2.85Å; V87-W100 HydrophobicContact CB-CZ2 4.5Å; V87-W100 HydrophobicContact CG1-CZ2 3.88Å; V87-W100 HydrophobicContact CG2-CD2 3.89Å; V87-W100 HydrophobicContact CG2-CE3 4.49Å; V87-W100 HydrophobicContact CG2-CG 4.14Å; V87-W100 HydrophobicContact CG2-CZ2 4.06Å
88L88Confident92.2Very high139 Ų13977.1 Ų77.173%0.72839%0.392SS*.PPolyproline II helixtrans-59.1129.7176.9-65.3176.2000110.6E86E86-L88 PolarHBondContact O-N 3.16Å
89G86.8Confident92.2Very high40 Ų4081.8 Ų81.841%0.41242%0.417SS..  trans-179.8167.2-178.400000113.9V87V87-G89 PolarHBondContact O-N 2.83Å
90S89.7Confident92.1Very high65 Ų6581.8 Ų81.846%0.45542%0.415SS..  trans-71.8150.5171.3-178.20000110.3R92 N93S90-R92 PolarHBondContact O-N 2.82Å; S90-N93 PolarHBondContact N-ND2 2.98Å; S90-N93 WeakPolarHBondContact O-CB 3.36Å; S90-N93 PolarHBondContact O-N 2.96Å
91K90.5Very high92.1Very high176 Ų17677.6 Ų77.677%0.76540%0.4SS*.THydrogen-bonded Turntrans-56.5-16173.2-65.8-171.9176.9-175.30114.1F96K91-F96 HydrophobicContact CB-CE2 4.48Å; K91-F96 HydrophobicContact CD-CZ 4.42Å; K91-F96 HydrophobicContact CG-CD1 4.48Å; K91-F96 HydrophobicContact CG-CD2 4.24Å; K91-F96 HydrophobicContact CG-CE1 4.01Å; K91-F96 HydrophobicContact CG-CE2 3.75Å; K91-F96 HydrophobicContact CG-CZ 3.64Å
92R91.5Very high92.1Very high231 Ų23171.1 Ų71.187%0.87238%0.377SS*.THydrogen-bonded Turntrans-83.3-14.3177.3-61.6-176.4-178.4178.30.4113.4S90S90-R92 PolarHBondContact O-N 2.82Å
93N90.1Very high92.3Very high52 Ų5277.3 Ų77.328%0.27840%0.399SS..SBendtrans-78.2141.5-176.1-67.3-9.1000110.4S90 W95 F96S90-N93 PolarHBondContact N-ND2 2.98Å; S90-N93 WeakPolarHBondContact O-CB 3.36Å; S90-N93 PolarHBondContact O-N 2.96Å; N93-W95 HydrophobicContact CB-CD2 3.88Å; N93-W95 HydrophobicContact CB-CE3 4.29Å; N93-W95 HydrophobicContact CB-CG 4.37Å; N93-W95 HydrophobicContact CB-CH2 4.16Å; N93-W95 HydrophobicContact CB-CZ2 3.72Å; N93-W95 HydrophobicContact CB-CZ3 4.45Å; N93-W95 WeakPolarHBondContact ND2-CZ2 3.39Å; N93-W95 PolarHBondContact O-N 3.47Å; N93-F96 VanDerWaalsContact O-CB 3.31Å; N93-F96 WeakPolarHBondContact O-CB 3.09Å; N93-F96 PolarHBondContact O-N 2.79Å; N93-F96 VanDerWaalsContact O-N 3.11Å
94P89.3Confident92.3Very high57 Ų5776.9 Ų76.937%0.3739%0.394SS..THydrogen-bonded Turntrans-59.4-28.5179.6-23.932000114.7Y59 F96Y59-P94 HydrophobicContact CD2-CG 4.09Å; Y59-P94 HydrophobicContact CE2-CB 4.26Å; Y59-P94 HydrophobicContact CE2-CG 3.47Å; Y59-P94 VanDerWaalsContact CE2-CG 3.47Å; P94-F96 VanDerWaalsContact C-N 3.34Å
95W90.3Very high92.4Very high21 Ų2173.3 Ų73.38%0.0837%0.369CS..THydrogen-bonded Turntrans-89.69179.956.386.8000114P26 N27 G28 M29 M33 V87 N93 G97 E98P26-W95 HydrophobicContact CB-CB 3.58Å; P26-W95 HydrophobicContact CB-CG 4.46Å; N27-W95 VanDerWaalsContact O-CE3 3.27Å; G28-W95 WeakPolarHBondContact O-CZ3 3.32Å; M29-W95 HydrophobicContact CG-CD2 3.88Å; M29-W95 HydrophobicContact CG-CE3 4.01Å; M29-W95 HydrophobicContact CG-CG 4.12Å; M33-W95 HydrophobicContact CE-CH2 3.31Å; M33-W95 HydrophobicContact CE-CZ2 3.3Å; M33-W95 HydrophobicContact CE-CZ3 4.34Å; M33-W95 HydrophobicContact SD-CH2 3.94Å; M33-W95 HydrophobicContact SD-CZ2 4.44Å; V87-W95 VanDerWaalsContact CG1-CD1 3.43Å; V87-W95 HydrophobicContact CG1-CG 4.33Å; N93-W95 HydrophobicContact CB-CD2 3.88Å; N93-W95 HydrophobicContact CB-CE3 4.29Å; N93-W95 HydrophobicContact CB-CG 4.37Å; N93-W95 HydrophobicContact CB-CH2 4.16Å; N93-W95 HydrophobicContact CB-CZ2 3.72Å; N93-W95 HydrophobicContact CB-CZ3 4.45Å; N93-W95 WeakPolarHBondContact ND2-CZ2 3.39Å; N93-W95 PolarHBondContact O-N 3.47Å; W95-G97 PolarHBondContact O-N 2.78Å; W95-E98 WeakPolarHBondContact O-CB 3.44Å; W95-E98 PolarHBondContact O-N 3.05Å; W95-E98 VanDerWaalsContact O-N 3.08Å
96F92Very high92.3Very high96 Ų9678.6 Ų78.642%0.42139%0.388SS..THydrogen-bonded Turntrans-63.1124.6179.3-179.2-96.6000110.7K91 N93 P94 E98K91-F96 HydrophobicContact CB-CE2 4.48Å; K91-F96 HydrophobicContact CD-CZ 4.42Å; K91-F96 HydrophobicContact CG-CD1 4.48Å; K91-F96 HydrophobicContact CG-CD2 4.24Å; K91-F96 HydrophobicContact CG-CE1 4.01Å; K91-F96 HydrophobicContact CG-CE2 3.75Å; K91-F96 HydrophobicContact CG-CZ 3.64Å; N93-F96 VanDerWaalsContact O-CB 3.31Å; N93-F96 WeakPolarHBondContact O-CB 3.09Å; N93-F96 PolarHBondContact O-N 2.79Å; N93-F96 VanDerWaalsContact O-N 3.11Å; P94-F96 VanDerWaalsContact C-N 3.34Å; F96-E98 VanDerWaalsContact C-N 3.29Å
97G91.2Very high92.1Very high40 Ų4080.2 Ų80.241%0.41240%0.4SS..THydrogen-bonded Turntrans82.7-1.5-176.200000114.7W95W95-G97 PolarHBondContact O-N 2.78Å
98E93Very high92.1Very high48 Ų4882.1 Ų82.122%0.22441%0.412CS..PPolyproline II helixtrans-74.8143.7170.8-64.3-169.1-165.800110.5P26 N27 E86 V87 W95 F96P26-E98 WeakPolarHBondContact CA-OE2 3.49Å; P26-E98 HydrophobicContact CB-CB 4.28Å; P26-E98 VanDerWaalsContact CB-OE2 3.26Å; P26-E98 WeakPolarHBondContact CB-OE2 3.41Å; N27-E98 WeakPolarHBondContact CB-OE1 3.31Å; N27-E98 PolarHBondContact N-OE2 2.85Å; N27-E98 PolarHBondContact ND2-OE1 3.11Å; E86-E98 WeakPolarHBondContact CA-O 3.3Å; V87-E98 WeakPolarHBondContact CG2-O 3.14Å; V87-E98 PolarHBondContact N-O 2.85Å; W95-E98 WeakPolarHBondContact O-CB 3.44Å; W95-E98 PolarHBondContact O-N 3.05Å; W95-E98 VanDerWaalsContact O-N 3.08Å; F96-E98 VanDerWaalsContact C-N 3.29Å
99L94.4Very high92.3Very high102 Ų10277.5 Ų77.553%0.53439%0.391SS..BIsolated β-bridgetrans-96.9141.7179.5-61.5175.9000110.9T85 E86 N101T85-L99 WeakPolarHBondContact O-CA 3.45Å; E86-L99 HydrophobicContact CB-CD2 4.4Å; E86-L99 HydrophobicContact CG-CD2 3.63Å; L99-N101 PolarHBondContact O-N 2.77Å
100W94.4Very high92.5Very high6 Ų677.1 Ų77.12%0.02338%0.377CS..PPolyproline II helixtrans-67122.8169-78.8119.6000111.1P26 M29 I34 I37 M38 L82 C84 T85 V87 I102P26-W100 HydrophobicContact CG-CE3 4.27Å; P26-W100 HydrophobicContact CG-CH2 4.43Å; P26-W100 HydrophobicContact CG-CZ3 4.07Å; M29-W100 HydrophobicContact CE-CH2 3.68Å; M29-W100 HydrophobicContact CE-CZ2 4.06Å; M29-W100 HydrophobicContact SD-CH2 3.75Å; M29-W100 HydrophobicContact SD-CZ2 4.22Å; M29-W100 HydrophobicContact SD-CZ3 4.44Å; I34-W100 HydrophobicContact CG1-CH2 4.38Å; I37-W100 HydrophobicContact CD1-CZ2 4.24Å; I37-W100 HydrophobicContact CG2-CZ2 4.24Å; M38-W100 HydrophobicContact CE-CH2 4.21Å; M38-W100 HydrophobicContact CE-CZ2 4.47Å; M38-W100 HydrophobicContact CE-CZ3 4.23Å; L82-W100 WeakPolarHBondContact O-CB 3.3Å; C84-W100 PolarHBondContact N-O 3.06Å; T85-W100 PolarHBondContact O-N 2.92Å; V87-W100 HydrophobicContact CB-CZ2 4.5Å; V87-W100 HydrophobicContact CG1-CZ2 3.88Å; V87-W100 HydrophobicContact CG2-CD2 3.89Å; V87-W100 HydrophobicContact CG2-CE3 4.49Å; V87-W100 HydrophobicContact CG2-CG 4.14Å; V87-W100 HydrophobicContact CG2-CZ2 4.06Å; W100-I102 HydrophobicContact CB-CD1 3.8Å; W100-I102 HydrophobicContact CB-CG1 3.9Å; W100-I102 HydrophobicContact CD2-CD1 3.89Å; W100-I102 HydrophobicContact CE3-CD1 3.76Å; W100-I102 HydrophobicContact CE3-CG1 4.23Å; W100-I102 HydrophobicContact CG-CD1 3.95Å
101N95.2Very high92.5Very high72 Ų7278.4 Ų78.439%0.38538%0.379SS..EExtended strand (participates in β ladder)trans-109.296.8171.3-172.4-11.2000109.7S23 L99S23-N101 PolarHBondContact N-O 2.98Å; L99-N101 PolarHBondContact O-N 2.77Å
102I95.6Very high92.4Very high5 Ų574.8 Ų74.83%0.02637%0.368CS..EExtended strand (participates in β ladder)trans-132.6131.3-163-56.4-167.6000110.7I20 Y21 L22 M38 A79 L82 N83 W100I20-I102 HydrophobicContact CG2-CB 4.46Å; I20-I102 HydrophobicContact CG2-CG2 3.05Å; Y21-I102 CarbonylContact O-C 3.58Å; Y21-I102 WeakPolarHBondContact O-CA 3.43Å; L22-I102 HydrophobicContact CD2-CB 4.28Å; L22-I102 HydrophobicContact CD2-CD1 3.67Å; L22-I102 HydrophobicContact CD2-CG1 3.52Å; L22-I102 HydrophobicContact CD2-CG2 4.09Å; M38-I102 HydrophobicContact CE-CD1 3.71Å; A79-I102 HydrophobicContact CB-CG2 4.19Å; L82-I102 HydrophobicContact CB-CD1 3.86Å; L82-I102 HydrophobicContact CD1-CD1 4.31Å; N83-I102 HydrophobicContact CB-CB 4.41Å; N83-I102 WeakPolarHBondContact CB-O 3.45Å; N83-I102 VanDerWaalsContact CG-O 3.3Å; N83-I102 PolarHBondContact OD1-N 3.29Å; N83-I102 PolarHBondContact OD1-O 3.46Å; N83-I102 VanDerWaalsContact OD1-O 3.11Å; W100-I102 HydrophobicContact CB-CD1 3.8Å; W100-I102 HydrophobicContact CB-CG1 3.9Å; W100-I102 HydrophobicContact CD2-CD1 3.89Å; W100-I102 HydrophobicContact CE3-CD1 3.76Å; W100-I102 HydrophobicContact CE3-CG1 4.23Å; W100-I102 HydrophobicContact CG-CD1 3.95Å
103R96.5Very high92.2Very high145 Ų14565.8 Ų65.855%0.54734%0.337SS..EExtended strand (participates in β ladder)trans-132.2133.4178.3-172.317368.795.9-5.1111.6Y21Y21-R103 PolarHBondContact N-O 3.43Å; Y21-R103 PolarHBondContact O-N 2.64Å
104F96.7Very high92Very high53 Ų5365 Ų6523%0.23233%0.331CS..EExtended strand (participates in β ladder)trans-75.5132.5169.1173.9-106.1000110.5I19 A75 K76 A79 K106I19-F104 WeakPolarHBondContact O-CD2 3.36Å; A75-F104 HydrophobicContact CB-CD2 3.79Å; A75-F104 HydrophobicContact CB-CE2 3.79Å; K76-F104 HydrophobicContact CB-CD1 4.41Å; K76-F104 HydrophobicContact CB-CD2 4.37Å; K76-F104 HydrophobicContact CB-CG 4.3Å; K76-F104 HydrophobicContact CG-CD1 4.34Å; A79-F104 HydrophobicContact CB-CB 3.75Å; F104-K106 HydrophobicContact CE1-CB 4.33Å
105L95.6Very high91.9Very high15 Ų1563.7 Ų63.78%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-95.1117.1174.8-57.6-174000109.6I19 T108 L113I19-L105 HydrophobicContact CG2-CD1 3.99Å; I19-L105 PolarHBondContact O-N 3.32Å; L105-T108 HydrophobicContact CD1-CG2 4.21Å; L105-L113 HydrophobicContact CD1-CD2 3.97Å
106K92.6Very high91.5Very high161 Ų16166.5 Ų66.570%0.736%0.356SS*.THydrogen-bonded Turntrans-75.8142.8173.462.9173.4-176171.20109.9F104 T108F104-K106 HydrophobicContact CE1-CB 4.33Å; K106-T108 PolarHBondContact O-N 3.22Å; K106-T108 PolarHBondContact O-OG1 3.37Å
107D89.6Confident91.1Very high156 Ų15667 Ų6783%0.83436%0.359SS*.THydrogen-bonded Turntrans51.833.6170.4-46.3-40.9000114.6
108T91.8Very high90.7Very high44 Ų4471.3 Ų71.327%0.2736%0.363SS..  trans-115.8123.6-179.7-52.10000109.2I19 L105 K106 L113I19-T108 HydrophobicContact CD1-CG2 4.47Å; L105-T108 HydrophobicContact CD1-CG2 4.21Å; K106-T108 PolarHBondContact O-N 3.22Å; K106-T108 PolarHBondContact O-OG1 3.37Å; T108-L113 HydrophobicContact CG2-CD2 3.56Å; T108-L113 HydrophobicContact CG2-CG 4.06Å
109S90.9Very high90.5Very high42 Ų4274.5 Ų74.529%0.29438%0.378SS..  trans-95.3162.6170.682.60000111.5I19 N111 D112 L113I19-S109 VanDerWaalsContact CD1-C 3.46Å; S109-N111 PolarHBondContact O-N 3.49Å; S109-N111 PolarHBondContact OG-N 3.28Å; S109-D112 VanDerWaalsContact CB-OD2 3.24Å; S109-D112 WeakPolarHBondContact CB-OD2 3.24Å; S109-D112 PolarHBondContact N-OD2 3.37Å; S109-D112 PolarHBondContact O-N 2.67Å; S109-D112 VanDerWaalsContact O-N 3.11Å; S109-D112 PolarHBondContact OG-N 2.91Å; S109-D112 PolarHBondContact OG-OD1 3.21Å; S109-D112 PolarHBondContact OG-OD2 3.11Å; S109-L113 PolarHBondContact O-N 2.99Å
110W90.8Very high90.4Very high33 Ų3374.8 Ų74.813%0.12538%0.377CS..Hα-helixtrans-63.3-30.5179.3-167.8-83.4000112.3I19 R46 W66 E68 D112 L113 F114I19-W110 HydrophobicContact CD1-CB 4.28Å; I19-W110 HydrophobicContact CD1-CE3 4.14Å; I19-W110 HydrophobicContact CG1-CE3 4.48Å; R46-W110 HydrophobicContact CB-CD2 3.94Å; R46-W110 HydrophobicContact CB-CE3 3.92Å; R46-W110 HydrophobicContact CB-CH2 3.5Å; R46-W110 HydrophobicContact CB-CZ2 3.53Å; R46-W110 HydrophobicContact CB-CZ3 3.71Å; R46-W110 HydrophobicContact CG-CD2 4.47Å; R46-W110 HydrophobicContact CG-CZ2 4.49Å; W66-W110 HydrophobicContact CB-CH2 4.39Å; W66-W110 HydrophobicContact CB-CZ3 4.17Å; E68-W110 HydrophobicContact CB-CE3 3.71Å; E68-W110 HydrophobicContact CB-CZ3 3.77Å; E68-W110 HydrophobicContact CG-CE3 4.45Å; W110-D112 VanDerWaalsContact C-N 3.32Å; W110-L113 HydrophobicContact CE3-CD1 4.27Å; W110-F114 HydrophobicContact CZ2-CE2 4.22Å; W110-F114 AromaticContact NE1-CE2 3.84Å
111N89.7Confident90.3Very high91 Ų9179.4 Ų79.449%0.48740%0.398SS..Hα-helixtrans-71.5-31.1177.4-63.9-41.4000111.5S109 G115S109-N111 PolarHBondContact O-N 3.49Å; S109-N111 PolarHBondContact OG-N 3.28Å; N111-G115 WeakPolarHBondContact O-CA 3.45Å; N111-G115 PolarHBondContact O-N 3.42Å; N111-G115 VanDerWaalsContact O-N 3.13Å
112D89.7Confident90.2Very high100 Ų10080.7 Ų80.754%0.53540%0.402SS..Hα-helixtrans-72.4-34-179.4-52.9-32.1000111.7S109 W110 F114 G115S109-D112 VanDerWaalsContact CB-OD2 3.24Å; S109-D112 WeakPolarHBondContact CB-OD2 3.24Å; S109-D112 PolarHBondContact N-OD2 3.37Å; S109-D112 PolarHBondContact O-N 2.67Å; S109-D112 VanDerWaalsContact O-N 3.11Å; S109-D112 PolarHBondContact OG-N 2.91Å; S109-D112 PolarHBondContact OG-OD1 3.21Å; S109-D112 PolarHBondContact OG-OD2 3.11Å; W110-D112 VanDerWaalsContact C-N 3.32Å; D112-F114 PolarHBondContact O-N 3.06Å; D112-G115 PolarHBondContact O-N 2.91Å; D112-G115 VanDerWaalsContact O-N 3.17Å
113L87.8Confident90.2Very high42 Ų4285.6 Ų85.622%0.2243%0.425CS..Hα-helixtrans-55.6-38.2-179.5-71.3-178.4000113.3I19 W66 L105 T108 S109 W110I19-L113 HydrophobicContact CD1-CD1 3.87Å; I19-L113 HydrophobicContact CD1-CG 4.21Å; I19-L113 HydrophobicContact CG2-CD1 4.14Å; W66-L113 HydrophobicContact CB-CD1 3.85Å; W66-L113 HydrophobicContact CD2-CD1 4.2Å; W66-L113 HydrophobicContact CG-CD1 3.59Å; W66-L113 HydrophobicContact CG-CD2 4.44Å; L105-L113 HydrophobicContact CD1-CD2 3.97Å; T108-L113 HydrophobicContact CG2-CD2 3.56Å; T108-L113 HydrophobicContact CG2-CG 4.06Å; S109-L113 PolarHBondContact O-N 2.99Å; W110-L113 HydrophobicContact CE3-CD1 4.27Å
114F85.3Confident90.1Very high37 Ų3784.8 Ų84.816%0.16242%0.422CS..THydrogen-bonded Turntrans-11414.4-178.1-50.9-73.4000111.7Y48 W66 W110 D112 A116 E117 R118Y48-F114 AromaticContact CD1-CE1 3.74Å; Y48-F114 HydrophobicContact CD1-CE1 3.74Å; Y48-F114 AromaticContact CD1-CZ 3.38Å; Y48-F114 HydrophobicContact CD1-CZ 3.38Å; Y48-F114 AromaticContact CE1-CE1 3.58Å; Y48-F114 HydrophobicContact CE1-CE1 3.58Å; Y48-F114 AromaticContact CE1-CZ 3.75Å; Y48-F114 HydrophobicContact CE1-CZ 3.75Å; Y48-F114 HydrophobicContact CG-CZ 4.03Å; W66-F114 HydrophobicContact CE3-CZ 4.21Å; W66-F114 HydrophobicContact CZ3-CE1 4.28Å; W66-F114 HydrophobicContact CZ3-CZ 4.32Å; W110-F114 HydrophobicContact CZ2-CE2 4.22Å; W110-F114 AromaticContact NE1-CE2 3.84Å; D112-F114 PolarHBondContact O-N 3.06Å; F114-A116 PolarHBondContact O-N 3.26Å; F114-E117 PolarHBondContact O-N 3.46Å; F114-R118 VanDerWaalsContact O-CB 3.31Å; F114-R118 WeakPolarHBondContact O-CB 3.48Å; F114-R118 PolarHBondContact O-N 2.89Å
115G86Confident90.1Very high29 Ų2989.8 Ų89.830%0.29944%0.439SS..Hα-helixtrans-59.7-47.7-175.500000111.7N111 D112 R118 E119N111-G115 WeakPolarHBondContact O-CA 3.45Å; N111-G115 PolarHBondContact O-N 3.42Å; N111-G115 VanDerWaalsContact O-N 3.13Å; D112-G115 PolarHBondContact O-N 2.91Å; D112-G115 VanDerWaalsContact O-N 3.17Å; G115-R118 PolarHBondContact O-N 2.93Å; G115-E119 WeakPolarHBondContact O-CB 3.41Å; G115-E119 PolarHBondContact O-N 3.13Å
116A82.7Confident90.1Very high80 Ų8091.9 Ų91.966%0.66145%0.453SS*.Hα-helixtrans-64.1-44.2178.900000112.7F114 E119 E120F114-A116 PolarHBondContact O-N 3.26Å; A116-E119 PolarHBondContact O-N 3.17Å; A116-E120 WeakPolarHBondContact O-CB 3.39Å; A116-E120 PolarHBondContact O-N 3Å
117E82.8Confident90.3Very high106 Ų10686.3 Ų86.350%0.49544%0.437SS..Hα-helixtrans-66.3-40.6179.1-172.6166.8-144.300111.4F114 E120 E121F114-E117 PolarHBondContact O-N 3.46Å; E117-E120 PolarHBondContact O-N 2.85Å; E117-E121 WeakPolarHBondContact O-CB 3.28Å; E117-E121 WeakPolarHBondContact O-CG 3.42Å; E117-E121 PolarHBondContact O-N 3.44Å
118R84.7Confident90.7Very high131 Ų13184.2 Ų84.249%0.49442%0.421SS..Hα-helixtrans-64.3-45.3175.1-176.4-176.1-65.2-1732.1111.7F114 G115 E120 E121 E122F114-R118 VanDerWaalsContact O-CB 3.31Å; F114-R118 WeakPolarHBondContact O-CB 3.48Å; F114-R118 PolarHBondContact O-N 2.89Å; G115-R118 PolarHBondContact O-N 2.93Å; R118-E120 VanDerWaalsContact C-N 3.31Å; R118-E120 PolarHBondContact O-N 3.41Å; R118-E121 PolarHBondContact O-N 3.39Å; R118-E122 HydrophobicContact CG-CG 4.36Å; R118-E122 WeakPolarHBondContact CG-OE1 3.43Å; R118-E122 WeakPolarHBondContact O-CB 3.33Å; R118-E122 WeakPolarHBondContact O-CG 3.48Å; R118-E122 PolarHBondContact O-N 3.47Å
119E88.7Confident90.9Very high114 Ų11485.3 Ų85.353%0.53343%0.426SS..Hα-helixtrans-60.7-43.6177.9-172.5-179.3175.700110.6G115 A116 E121 E122 Q123G115-E119 WeakPolarHBondContact O-CB 3.41Å; G115-E119 PolarHBondContact O-N 3.13Å; A116-E119 PolarHBondContact O-N 3.17Å; E119-E121 PolarHBondContact O-N 2.79Å; E119-E122 PolarHBondContact O-N 3.45Å; E119-Q123 WeakPolarHBondContact O-CB 3.44Å; E119-Q123 VanDerWaalsContact O-CG 3.25Å; E119-Q123 WeakPolarHBondContact O-CG 3.31Å; E119-Q123 PolarHBondContact O-N 2.86Å; E119-Q123 PolarHBondContact OE1-NE2 3.37Å
120E91.3Very high91.2Very high109 Ų10991.4 Ų91.451%0.50944%0.442SS..Hα-helixtrans-62.1-42.8175.9-161.9-163.515100112A116 E117 R118 Q123 R124A116-E120 WeakPolarHBondContact O-CB 3.39Å; A116-E120 PolarHBondContact O-N 3Å; E117-E120 PolarHBondContact O-N 2.85Å; R118-E120 VanDerWaalsContact C-N 3.31Å; R118-E120 PolarHBondContact O-N 3.41Å; E120-Q123 PolarHBondContact O-N 3.48Å; E120-R124 VanDerWaalsContact O-CB 3.3Å; E120-R124 WeakPolarHBondContact O-CB 3.32Å; E120-R124 PolarHBondContact O-N 2.84Å; E120-R124 IonicContact OE1-CZ 3.95Å; E120-R124 IonicContact OE1-NH2 2.79Å; E120-R124 PolarHBondContact OE1-NH2 2.88Å; E120-R124 IonicContact OE2-NH2 3.89Å
121E92Very high91.5Very high102 Ų10295 Ų9548%0.47746%0.464SS..Hα-helixtrans-62.3-42.1174.3-79.9179.3-17000112.9E117 R118 E119 R124 R125E117-E121 WeakPolarHBondContact O-CB 3.28Å; E117-E121 WeakPolarHBondContact O-CG 3.42Å; E117-E121 PolarHBondContact O-N 3.44Å; R118-E121 PolarHBondContact O-N 3.39Å; E119-E121 PolarHBondContact O-N 2.79Å; E121-R124 VanDerWaalsContact CG-NH1 3.33Å; E121-R124 PolarHBondContact O-N 3.49Å; E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 PolarHBondContact O-N 3.43Å
122E93Very high91.9Very high100 Ų10093.6 Ų93.647%0.46746%0.456SS..Hα-helixtrans-65.6-42.6176.7-75176.9-170.800111.4R118 E119 R125 T126R118-E122 HydrophobicContact CG-CG 4.36Å; R118-E122 WeakPolarHBondContact CG-OE1 3.43Å; R118-E122 WeakPolarHBondContact O-CB 3.33Å; R118-E122 WeakPolarHBondContact O-CG 3.48Å; R118-E122 PolarHBondContact O-N 3.47Å; E119-E122 PolarHBondContact O-N 3.45Å; E122-R125 PolarHBondContact O-N 2.87Å; E122-T126 WeakPolarHBondContact O-CB 3.3Å; E122-T126 VanDerWaalsContact O-CG2 3.26Å; E122-T126 WeakPolarHBondContact O-CG2 3.45Å; E122-T126 PolarHBondContact O-N 2.98Å; E122-T126 PolarHBondContact O-OG1 2.86Å
123Q95.1Very high92.2Very high107 Ų10793.5 Ų93.550%0.546%0.459SS..Hα-helixtrans-61.2-44.4173.1-71.8176.715.900111.3E119 E120 R125 T126 A127E119-Q123 WeakPolarHBondContact O-CB 3.44Å; E119-Q123 VanDerWaalsContact O-CG 3.25Å; E119-Q123 WeakPolarHBondContact O-CG 3.31Å; E119-Q123 PolarHBondContact O-N 2.86Å; E119-Q123 PolarHBondContact OE1-NE2 3.37Å; E120-Q123 PolarHBondContact O-N 3.48Å; Q123-R125 PolarHBondContact O-N 2.91Å; Q123-T126 WeakPolarHBondContact CA-OG1 3.42Å; Q123-T126 PolarHBondContact O-N 2.88Å; Q123-T126 PolarHBondContact O-OG1 3.46Å; Q123-A127 WeakPolarHBondContact O-CB 3.25Å; Q123-A127 PolarHBondContact O-N 3.39Å
124R95.6Very high92.6Very high128 Ų12895.1 Ų95.148%0.48347%0.47SS..Hα-helixtrans-62.9-43.3176.9-166.3-176.4-521132.3111.9E120 E121 H128E120-R124 VanDerWaalsContact O-CB 3.3Å; E120-R124 WeakPolarHBondContact O-CB 3.32Å; E120-R124 PolarHBondContact O-N 2.84Å; E120-R124 IonicContact OE1-CZ 3.95Å; E120-R124 IonicContact OE1-NH2 2.79Å; E120-R124 PolarHBondContact OE1-NH2 2.88Å; E120-R124 IonicContact OE2-NH2 3.89Å; E121-R124 VanDerWaalsContact CG-NH1 3.33Å; E121-R124 PolarHBondContact O-N 3.49Å; R124-H128 WeakPolarHBondContact O-CB 3.44Å; R124-H128 PolarHBondContact O-N 3.36Å
125R96.2Very high93.2Very high159 Ų15995.9 Ų95.960%0.648%0.483SS*.Hα-helixtrans-65.4-46.3177.8-174.2-176.3126.6-136.1-1.3111.4E121 E122 Q123 A127 H128 D129E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 PolarHBondContact O-N 3.43Å; E122-R125 PolarHBondContact O-N 2.87Å; Q123-R125 PolarHBondContact O-N 2.91Å; R125-A127 VanDerWaalsContact C-N 3.35Å; R125-A127 PolarHBondContact O-N 3.28Å; R125-H128 PolarHBondContact O-N 3.42Å; R125-D129 IonicContact NE-OD2 3.86Å; R125-D129 WeakPolarHBondContact O-CB 3.34Å; R125-D129 PolarHBondContact O-N 3.47Å
126T96.5Very high93.7Very high59 Ų59100.7 Ų100.736%0.36250%0.496SS..Hα-helixtrans-64.8-37.6178.452.90000112.2E122 Q123 R130E122-T126 WeakPolarHBondContact O-CB 3.3Å; E122-T126 VanDerWaalsContact O-CG2 3.26Å; E122-T126 WeakPolarHBondContact O-CG2 3.45Å; E122-T126 PolarHBondContact O-N 2.98Å; E122-T126 PolarHBondContact O-OG1 2.86Å; Q123-T126 WeakPolarHBondContact CA-OG1 3.42Å; Q123-T126 PolarHBondContact O-N 2.88Å; Q123-T126 PolarHBondContact O-OG1 3.46Å; T126-R130 VanDerWaalsContact O-CG 3.24Å; T126-R130 WeakPolarHBondContact O-CG 3.45Å; T126-R130 PolarHBondContact O-N 3.26Å
127A96.8Very high94.3Very high44 Ų44101.9 Ų101.936%0.36449%0.488SS..Hα-helixtrans-61.3-48.9171.500000111.6Q123 R125 D129 R130 D131Q123-A127 WeakPolarHBondContact O-CB 3.25Å; Q123-A127 PolarHBondContact O-N 3.39Å; R125-A127 VanDerWaalsContact C-N 3.35Å; R125-A127 PolarHBondContact O-N 3.28Å; A127-D129 PolarHBondContact O-N 3.37Å; A127-R130 WeakPolarHBondContact O-CB 3.36Å; A127-R130 PolarHBondContact O-N 3.49Å; A127-D131 PolarHBondContact O-N 3.26Å
128H96.6Very high94.9Very high111 Ų111102.3 Ų102.351%0.51449%0.49SS..Hα-helixtrans-61.2-41.2177.4178.4-96.1000112.9R124 R125 R130 D131 I132R124-H128 WeakPolarHBondContact O-CB 3.44Å; R124-H128 PolarHBondContact O-N 3.36Å; R125-H128 PolarHBondContact O-N 3.42Å; H128-R130 VanDerWaalsContact C-N 3.35Å; H128-R130 PolarHBondContact O-N 3Å; H128-D131 PolarHBondContact O-N 3.44Å; H128-I132 WeakPolarHBondContact CE1-CD1 3.41Å; H128-I132 WeakPolarHBondContact O-CG1 3.24Å; H128-I132 PolarHBondContact O-N 2.99Å
129D97.2Very high95.4Very high68 Ų6899.8 Ų99.836%0.36449%0.492SS..Hα-helixtrans-64.3-39.5176.4-72.9-19.8000111.6R125 A127 I132 V133R125-D129 IonicContact NE-OD2 3.86Å; R125-D129 WeakPolarHBondContact O-CB 3.34Å; R125-D129 PolarHBondContact O-N 3.47Å; A127-D129 PolarHBondContact O-N 3.37Å; D129-I132 PolarHBondContact O-N 3.2Å; D129-V133 WeakPolarHBondContact O-CG2 3.34Å; D129-V133 PolarHBondContact O-N 2.93Å
130R96.6Very high95.7Very high169 Ų169103.3 Ų103.364%0.63850%0.5SS*.Hα-helixtrans-60.6-44.8172.8-73.2168.7-175.7167.62.7111.2T126 A127 H128 I132 V133 V134T126-R130 VanDerWaalsContact O-CG 3.24Å; T126-R130 WeakPolarHBondContact O-CG 3.45Å; T126-R130 PolarHBondContact O-N 3.26Å; A127-R130 WeakPolarHBondContact O-CB 3.36Å; A127-R130 PolarHBondContact O-N 3.49Å; H128-R130 VanDerWaalsContact C-N 3.35Å; H128-R130 PolarHBondContact O-N 3Å; R130-I132 VanDerWaalsContact C-N 3.34Å; R130-I132 PolarHBondContact O-N 3.02Å; R130-V133 PolarHBondContact O-N 2.91Å; R130-V133 VanDerWaalsContact O-N 3.16Å; R130-V134 WeakPolarHBondContact O-CG2 3.35Å; R130-V134 PolarHBondContact O-N 3.24Å
131D97.2Very high95.9Very high110 Ų110103.4 Ų103.459%0.58850%0.501SS*.Hα-helixtrans-61.3-42.4178-69.8-17.1000111.7A127 H128 V133 V134 A135A127-D131 PolarHBondContact O-N 3.26Å; H128-D131 PolarHBondContact O-N 3.44Å; D131-V133 VanDerWaalsContact C-N 3.34Å; D131-V133 PolarHBondContact O-N 3.02Å; D131-V134 PolarHBondContact O-N 3.16Å; D131-A135 WeakPolarHBondContact O-CB 3.34Å; D131-A135 PolarHBondContact O-N 3.21Å
132I97Very high96.1Very high61 Ų61105 Ų10531%0.31351%0.507SS..Hα-helixtrans-60.3-44.1174.5-71.3169000111.2H128 D129 R130 A135 K136H128-I132 WeakPolarHBondContact CE1-CD1 3.41Å; H128-I132 WeakPolarHBondContact O-CG1 3.24Å; H128-I132 PolarHBondContact O-N 2.99Å; D129-I132 PolarHBondContact O-N 3.2Å; R130-I132 VanDerWaalsContact C-N 3.34Å; R130-I132 PolarHBondContact O-N 3.02Å; I132-A135 PolarHBondContact O-N 3.42Å; I132-K136 HydrophobicContact CG2-CD 3.89Å; I132-K136 HydrophobicContact CG2-CG 4.34Å; I132-K136 WeakPolarHBondContact O-CB 3.34Å; I132-K136 WeakPolarHBondContact O-CG 3.45Å; I132-K136 PolarHBondContact O-N 3.47Å
133V96.5Very high96.2Very high97 Ų97103.1 Ų103.159%0.58850%0.504SS*.Hα-helixtrans-63.4-45.3179.7170.60000110.6D129 R130 D131 K136 H137D129-V133 WeakPolarHBondContact O-CG2 3.34Å; D129-V133 PolarHBondContact O-N 2.93Å; R130-V133 PolarHBondContact O-N 2.91Å; R130-V133 VanDerWaalsContact O-N 3.16Å; D131-V133 VanDerWaalsContact C-N 3.34Å; D131-V133 PolarHBondContact O-N 3.02Å; V133-K136 PolarHBondContact O-N 3.46Å; V133-H137 WeakPolarHBondContact O-CB 3.39Å; V133-H137 PolarHBondContact O-N 2.93Å
134V96.7Very high96.1Very high76 Ų76100.9 Ų100.946%0.46150%0.504SS..Hα-helixtrans-61.1-47.1176.1172.80000110.8R130 D131 K136 H137 Q138R130-V134 WeakPolarHBondContact O-CG2 3.35Å; R130-V134 PolarHBondContact O-N 3.24Å; D131-V134 PolarHBondContact O-N 3.16Å; V134-K136 PolarHBondContact O-N 2.95Å; V134-H137 WeakPolarHBondContact O-CB 3.39Å; V134-H137 PolarHBondContact O-N 2.96Å; V134-Q138 HydrophobicContact CG1-CG 4.45Å; V134-Q138 WeakPolarHBondContact O-CG 3.3Å; V134-Q138 PolarHBondContact O-N 3.39Å
135A97.1Very high96Very high53 Ų5397.7 Ų97.744%0.43851%0.505SS..Hα-helixtrans-62.6-42.1178.300000112.4D131 I132 H137 Q138 S139D131-A135 WeakPolarHBondContact O-CB 3.34Å; D131-A135 PolarHBondContact O-N 3.21Å; I132-A135 PolarHBondContact O-N 3.42Å; A135-H137 VanDerWaalsContact C-N 3.35Å; A135-H137 PolarHBondContact O-N 3.4Å; A135-Q138 PolarHBondContact O-N 3.33Å; A135-S139 VanDerWaalsContact O-CB 3.3Å; A135-S139 WeakPolarHBondContact O-CB 3.39Å; A135-S139 PolarHBondContact O-N 2.99Å
136K97.2Very high95.9Very high131 Ų13193.5 Ų93.557%0.5749%0.494SS*.Hα-helixtrans-62.8-41174-79.2176177.2172.20111.7I132 V133 V134 S139 R140I132-K136 HydrophobicContact CG2-CD 3.89Å; I132-K136 HydrophobicContact CG2-CG 4.34Å; I132-K136 WeakPolarHBondContact O-CB 3.34Å; I132-K136 WeakPolarHBondContact O-CG 3.45Å; I132-K136 PolarHBondContact O-N 3.47Å; V133-K136 PolarHBondContact O-N 3.46Å; V134-K136 PolarHBondContact O-N 2.95Å; K136-S139 PolarHBondContact O-N 3.44Å; K136-R140 VanDerWaalsContact O-CG 3.32Å; K136-R140 WeakPolarHBondContact O-CG 3.41Å; K136-R140 PolarHBondContact O-N 3.43Å
137H95.5Very high95.8Very high105 Ų10594.8 Ų94.849%0.48650%0.499SS..Hα-helixtrans-62.6-49.5176.8-177.474000111.1V133 V134 A135 S139 R140 Q141V133-H137 WeakPolarHBondContact O-CB 3.39Å; V133-H137 PolarHBondContact O-N 2.93Å; V134-H137 WeakPolarHBondContact O-CB 3.39Å; V134-H137 PolarHBondContact O-N 2.96Å; A135-H137 VanDerWaalsContact C-N 3.35Å; A135-H137 PolarHBondContact O-N 3.4Å; H137-S139 PolarHBondContact O-N 3.48Å; H137-R140 PolarHBondContact O-N 2.91Å; H137-Q141 VanDerWaalsContact NE2-CD 3.33Å; H137-Q141 PolarHBondContact NE2-NE2 2.88Å; H137-Q141 WeakPolarHBondContact O-CG 3.32Å; H137-Q141 PolarHBondContact O-N 3.5Å
138Q95.3Very high95.5Very high114 Ų11494.7 Ų94.753%0.53350%0.498SS..Hα-helixtrans-60.7-42.2176.9-70.2175.3-4.100112V134 A135 Q141 F142V134-Q138 HydrophobicContact CG1-CG 4.45Å; V134-Q138 WeakPolarHBondContact O-CG 3.3Å; V134-Q138 PolarHBondContact O-N 3.39Å; A135-Q138 PolarHBondContact O-N 3.33Å; Q138-Q141 PolarHBondContact O-N 3.27Å; Q138-F142 WeakPolarHBondContact O-CB 3.38Å; Q138-F142 PolarHBondContact O-N 3.2Å
139S95.2Very high95.3Very high78 Ų7896.6 Ų96.655%0.54551%0.505SS..Hα-helixtrans-61.1-45175.9-179.30000112.3A135 K136 H137 F142 S143A135-S139 VanDerWaalsContact O-CB 3.3Å; A135-S139 WeakPolarHBondContact O-CB 3.39Å; A135-S139 PolarHBondContact O-N 2.99Å; K136-S139 PolarHBondContact O-N 3.44Å; H137-S139 PolarHBondContact O-N 3.48Å; S139-F142 PolarHBondContact O-N 2.87Å; S139-S143 PolarHBondContact O-N 3.36Å
140R95.9Very high95.1Very high188 Ų18899.3 Ų99.371%0.70951%0.514SS*.Hα-helixtrans-62.8-44.9175.3-73.7175.3-175.6-106.63111.9K136 H137 F142 S143 A144K136-R140 VanDerWaalsContact O-CG 3.32Å; K136-R140 WeakPolarHBondContact O-CG 3.41Å; K136-R140 PolarHBondContact O-N 3.43Å; H137-R140 PolarHBondContact O-N 2.91Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 3.45Å; R140-S143 PolarHBondContact O-N 2.93Å; R140-A144 WeakPolarHBondContact O-CB 3.39Å; R140-A144 PolarHBondContact O-N 3.4Å
141Q95Very high94.8Very high111 Ų11195.8 Ų95.852%0.51951%0.507SS..Hα-helixtrans-59.7-43.7176.1-75.3-175.7-2800111.4H137 Q138 A144 A145H137-Q141 VanDerWaalsContact NE2-CD 3.33Å; H137-Q141 PolarHBondContact NE2-NE2 2.88Å; H137-Q141 WeakPolarHBondContact O-CG 3.32Å; H137-Q141 PolarHBondContact O-N 3.5Å; Q138-Q141 PolarHBondContact O-N 3.27Å; Q141-A144 PolarHBondContact O-N 2.9Å; Q141-A145 WeakPolarHBondContact O-CB 3.41Å; Q141-A145 PolarHBondContact O-N 3.31Å
142F95.2Very high94.5Very high137 Ų13793.7 Ų93.760%0.60149%0.493SS*.Hα-helixtrans-63.9-46.8177.6-177.9-102.6000112.1Q138 S139 R140 A144 A145 L146Q138-F142 WeakPolarHBondContact O-CB 3.38Å; Q138-F142 PolarHBondContact O-N 3.2Å; S139-F142 PolarHBondContact O-N 2.87Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 3.45Å; F142-A144 PolarHBondContact O-N 3.34Å; F142-A145 PolarHBondContact O-N 2.94Å; F142-L146 HydrophobicContact CD1-CD1 3.93Å; F142-L146 HydrophobicContact CD1-CG 4.34Å; F142-L146 HydrophobicContact CE1-CD1 3.36Å; F142-L146 HydrophobicContact CE1-CG 3.98Å; F142-L146 HydrophobicContact CE2-CG 4.49Å; F142-L146 HydrophobicContact CZ-CD1 3.79Å; F142-L146 HydrophobicContact CZ-CD2 4.19Å; F142-L146 HydrophobicContact CZ-CG 4.06Å; F142-L146 WeakPolarHBondContact O-CG 3.34Å; F142-L146 PolarHBondContact O-N 2.92Å
143S95Very high94.2Very high59 Ų5997.7 Ų97.741%0.41351%0.509SS..Hα-helixtrans-58.9-47.5176.1-168.90000111.7S139 R140 A145 L146 D147S139-S143 PolarHBondContact O-N 3.36Å; R140-S143 PolarHBondContact O-N 2.93Å; S143-A145 VanDerWaalsContact C-N 3.32Å; S143-A145 PolarHBondContact O-N 2.9Å; S143-L146 PolarHBondContact O-N 2.94Å; S143-D147 PolarHBondContact O-N 3.1Å
144A94.8Very high93.9Very high61 Ų61101.4 Ų101.450%0.50451%0.512SS..Hα-helixtrans-61.9-38.9177.900000112.2R140 Q141 F142 D147 A148R140-A144 WeakPolarHBondContact O-CB 3.39Å; R140-A144 PolarHBondContact O-N 3.4Å; Q141-A144 PolarHBondContact O-N 2.9Å; F142-A144 PolarHBondContact O-N 3.34Å; A144-D147 PolarHBondContact O-N 3.3Å; A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.46Å; A144-A148 PolarHBondContact O-N 3Å
145A92.6Very high93.6Very high60 Ų60101.4 Ų101.450%0.49651%0.508SS..Hα-helixtrans-65.4-40.3175.600000112.2Q141 F142 S143 K149Q141-A145 WeakPolarHBondContact O-CB 3.41Å; Q141-A145 PolarHBondContact O-N 3.31Å; F142-A145 PolarHBondContact O-N 2.94Å; S143-A145 VanDerWaalsContact C-N 3.32Å; S143-A145 PolarHBondContact O-N 2.9Å; A145-K149 WeakPolarHBondContact O-CB 3.44Å; A145-K149 PolarHBondContact O-N 3.47Å
146L94.7Very high93.2Very high71 Ų71104 Ų10437%0.37251%0.51SS..Hα-helixtrans-63.8-44.8174.6-73.4-176.2000112F142 S143 K149 K150F142-L146 HydrophobicContact CD1-CD1 3.93Å; F142-L146 HydrophobicContact CD1-CG 4.34Å; F142-L146 HydrophobicContact CE1-CD1 3.36Å; F142-L146 HydrophobicContact CE1-CG 3.98Å; F142-L146 HydrophobicContact CE2-CG 4.49Å; F142-L146 HydrophobicContact CZ-CD1 3.79Å; F142-L146 HydrophobicContact CZ-CD2 4.19Å; F142-L146 HydrophobicContact CZ-CG 4.06Å; F142-L146 WeakPolarHBondContact O-CG 3.34Å; F142-L146 PolarHBondContact O-N 2.92Å; S143-L146 PolarHBondContact O-N 2.94Å; L146-K149 PolarHBondContact O-N 3.45Å; L146-K150 WeakPolarHBondContact O-CG 3.38Å; L146-K150 PolarHBondContact O-N 3.25Å
147D94.4Very high92.9Very high86 Ų86104.7 Ų104.746%0.4652%0.515SS..Hα-helixtrans-66.8-39.7179.1-68.7-27.2000111.6S143 A144 K149 K150 L151S143-D147 PolarHBondContact O-N 3.1Å; A144-D147 PolarHBondContact O-N 3.3Å; D147-K149 PolarHBondContact O-N 2.94Å; D147-K150 PolarHBondContact O-N 2.93Å; D147-K150 IonicContact OD1-NZ 3.79Å; D147-L151 WeakPolarHBondContact O-CB 3.31Å; D147-L151 PolarHBondContact O-N 3.34Å
148A90.9Very high92.7Very high43 Ų43105.5 Ų105.536%0.35553%0.527SS..Hα-helixtrans-59.2-44.5172.100000111.9A144 L151 E152A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.46Å; A144-A148 PolarHBondContact O-N 3Å; A148-L151 PolarHBondContact O-N 2.9Å; A148-E152 WeakPolarHBondContact O-CB 3.45Å; A148-E152 PolarHBondContact O-N 3.18Å
149K90.9Very high92.3Very high151 Ų151105.7 Ų105.766%0.65753%0.526SS*.Hα-helixtrans-64.3-41176.8-173.3179.1-177.9177.60112.4A145 L146 D147 E152 K153A145-K149 WeakPolarHBondContact O-CB 3.44Å; A145-K149 PolarHBondContact O-N 3.47Å; L146-K149 PolarHBondContact O-N 3.45Å; D147-K149 PolarHBondContact O-N 2.94Å; K149-E152 PolarHBondContact O-N 3.02Å; K149-K153 PolarHBondContact O-N 3.17Å
150K93.9Very high91.8Very high125 Ų125104 Ų10454%0.54352%0.521SS..Hα-helixtrans-62.9-44.3174.7-72.7172.6-173.9167.70111.2L146 D147 K153 R154L146-K150 WeakPolarHBondContact O-CG 3.38Å; L146-K150 PolarHBondContact O-N 3.25Å; D147-K150 PolarHBondContact O-N 2.93Å; D147-K150 IonicContact OD1-NZ 3.79Å; K150-K153 PolarHBondContact O-N 3.47Å; K150-R154 PolarHBondContact O-N 2.88Å; K150-R154 VanDerWaalsContact O-N 3.1Å
151L91Very high91.1Very high94 Ų94105.7 Ų105.749%0.49253%0.533SS..Hα-helixtrans-63.5-42.3176.7-178.963.2000111.5D147 A148 K153 R154 M155D147-L151 WeakPolarHBondContact O-CB 3.31Å; D147-L151 PolarHBondContact O-N 3.34Å; A148-L151 PolarHBondContact O-N 2.9Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.44Å; L151-R154 PolarHBondContact O-N 3.44Å; L151-M155 HydrophobicContact CD1-CE 4.11Å; L151-M155 HydrophobicContact CD1-CG 4.34Å; L151-M155 HydrophobicContact CG-CG 4.42Å; L151-M155 WeakPolarHBondContact O-CB 3.43Å; L151-M155 WeakPolarHBondContact O-CG 3.44Å; L151-M155 PolarHBondContact O-N 3.45Å
152E89.2Confident90.5Very high66 Ų66111.2 Ų111.231%0.30855%0.55SS..Hα-helixtrans-58.7-45.7176.5-159179.5-171.600111.4A148 K149 R154 M155 K156 F163A148-E152 WeakPolarHBondContact O-CB 3.45Å; A148-E152 PolarHBondContact O-N 3.18Å; K149-E152 PolarHBondContact O-N 3.02Å; E152-R154 PolarHBondContact O-N 3.21Å; E152-M155 PolarHBondContact O-N 3.06Å; E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 PolarHBondContact O-N 3.37Å; E152-F163 HydrophobicContact CG-CE1 3.96Å; E152-F163 HydrophobicContact CG-CZ 3.48Å; E152-F163 VanDerWaalsContact CG-CZ 3.48Å
153K90.7Very high90Very high146 Ų146106.6 Ų106.664%0.63553%0.529SS*.Hα-helixtrans-59.4-44.1175.3-172179.2179.6-178.80112.1K149 K150 L151 K156 Q157K149-K153 PolarHBondContact O-N 3.17Å; K150-K153 PolarHBondContact O-N 3.47Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.44Å; K153-K156 PolarHBondContact O-N 3.28Å; K153-Q157 WeakPolarHBondContact O-CG 3.4Å; K153-Q157 PolarHBondContact O-N 2.86Å
154R91.8Very high89.4Confident174 Ų174109.6 Ų109.666%0.65755%0.545SS*.Hα-helixtrans-63.9-44.6176.1-72.1-179.2179.3175.4-0.2111.8K150 L151 E152 K156 Q157 V158K150-R154 PolarHBondContact O-N 2.88Å; K150-R154 VanDerWaalsContact O-N 3.1Å; L151-R154 PolarHBondContact O-N 3.44Å; E152-R154 PolarHBondContact O-N 3.21Å; R154-K156 VanDerWaalsContact C-N 3.33Å; R154-K156 PolarHBondContact O-N 3.48Å; R154-Q157 WeakPolarHBondContact O-CB 3.49Å; R154-Q157 PolarHBondContact O-N 3.21Å; R154-Q157 VanDerWaalsContact O-N 3.17Å; R154-V158 WeakPolarHBondContact O-CG2 3.32Å; R154-V158 PolarHBondContact O-N 2.87Å
155M89.5Confident88.7Confident77 Ų77112.5 Ų112.538%0.37955%0.548SS..Hα-helixtrans-64.4-37.4179-74.3-71.4177.100112.4L151 E152 Q157 V158 K159 F163L151-M155 HydrophobicContact CD1-CE 4.11Å; L151-M155 HydrophobicContact CD1-CG 4.34Å; L151-M155 HydrophobicContact CG-CG 4.42Å; L151-M155 WeakPolarHBondContact O-CB 3.43Å; L151-M155 WeakPolarHBondContact O-CG 3.44Å; L151-M155 PolarHBondContact O-N 3.45Å; E152-M155 PolarHBondContact O-N 3.06Å; M155-Q157 VanDerWaalsContact C-N 3.31Å; M155-Q157 PolarHBondContact O-N 3.43Å; M155-V158 PolarHBondContact O-N 2.94Å; M155-K159 WeakPolarHBondContact O-CB 3.37Å; M155-K159 PolarHBondContact O-N 2.83Å; M155-F163 HydrophobicContact CB-CD2 3.87Å; M155-F163 HydrophobicContact CB-CE2 3.51Å; M155-F163 HydrophobicContact CB-CZ 4.43Å
156K89.7Confident88Confident108 Ų108119.2 Ų119.247%0.4756%0.561SS.*Hα-helixtrans-62.1-38.2173.5-171.5169.6-179.5167.20112E152 K153 R154 G160 F163 E165E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 PolarHBondContact O-N 3.37Å; K153-K156 PolarHBondContact O-N 3.28Å; R154-K156 VanDerWaalsContact C-N 3.33Å; R154-K156 PolarHBondContact O-N 3.48Å; K156-G160 WeakPolarHBondContact O-CA 3.4Å; K156-G160 PolarHBondContact O-N 3.14Å; K156-G160 VanDerWaalsContact O-N 3.1Å; K156-F163 HydrophobicContact CB-CD1 3.75Å; K156-F163 HydrophobicContact CB-CE1 4.06Å; K156-F163 HydrophobicContact CB-CG 4.04Å; K156-F163 HydrophobicContact CD-CD1 4.26Å; K156-F163 HydrophobicContact CG-CD1 3.86Å; K156-F163 HydrophobicContact CG-CE1 4.47Å; K156-F163 HydrophobicContact CG-CG 4.35Å; K156-E165 IonicContact NZ-OE1 2.68Å; K156-E165 PolarHBondContact NZ-OE1 2.91Å
157Q90.3Very high87.3Confident144 Ų144124.9 Ų124.967%0.67358%0.583SS**Hα-helixtrans-67.9-44.4174.8-70.1174.3-20.300112.4K153 R154 M155K153-Q157 WeakPolarHBondContact O-CG 3.4Å; K153-Q157 PolarHBondContact O-N 2.86Å; R154-Q157 WeakPolarHBondContact O-CB 3.49Å; R154-Q157 PolarHBondContact O-N 3.21Å; R154-Q157 VanDerWaalsContact O-N 3.17Å; M155-Q157 VanDerWaalsContact C-N 3.31Å; M155-Q157 PolarHBondContact O-N 3.43Å
158V90.4Very high86.3Confident123 Ų123126.3 Ų126.375%0.74560%0.597SS**Hα-helixtrans-71.8-43.5-177.7175.20000112.5R154 M155R154-V158 WeakPolarHBondContact O-CG2 3.32Å; R154-V158 PolarHBondContact O-N 2.87Å; M155-V158 PolarHBondContact O-N 2.94Å
159K87.7Confident85.4Confident117 Ų117130.1 Ų130.151%0.50962%0.615SS.*Hα-helixtrans-88.1-16.1-175.2-67.2-173.5178-175.40113.8M155 K161 R162 F163M155-K159 WeakPolarHBondContact O-CB 3.37Å; M155-K159 PolarHBondContact O-N 2.83Å; K159-K161 PolarHBondContact O-N 3.43Å; K159-R162 HydrophobicContact CB-CB 4.45Å; K159-R162 PolarHBondContact O-N 2.92Å; K159-F163 HydrophobicContact CB-CB 4.01Å; K159-F163 HydrophobicContact CD-CD2 4.36Å
160G83.7Confident84.3Confident43 Ų43132.7 Ų132.744%0.44362%0.621SS.*G310 helixtrans50.9-122.4-177.300000112K156 R162 F163K156-G160 WeakPolarHBondContact O-CA 3.4Å; K156-G160 PolarHBondContact O-N 3.14Å; K156-G160 VanDerWaalsContact O-N 3.1Å; G160-R162 PolarHBondContact O-N 3.19Å; G160-F163 WeakPolarHBondContact O-CB 3.21Å; G160-F163 PolarHBondContact O-N 2.91Å; G160-F163 VanDerWaalsContact O-N 3.16Å
161K81.7Confident83Confident223 Ų223133.9 Ų133.997%0.9763%0.632SS**G310 helixtrans-64.5-18.9-179.2-63.3-176.1-179.5-1790114.5K159 F163K159-K161 PolarHBondContact O-N 3.43Å; K161-F163 VanDerWaalsContact C-N 3.29Å
162R82Confident81.7Confident228 Ų228136.8 Ų136.886%0.8665%0.648SS**G310 helixtrans-84.6-0.8177.6-65-175.9177.5-176.6-0.3113.1K159 G160 T164K159-R162 HydrophobicContact CB-CB 4.45Å; K159-R162 PolarHBondContact O-N 2.92Å; G160-R162 PolarHBondContact O-N 3.19Å; R162-T164 PolarHBondContact O-N 2.88Å
163F84.4Confident80.3Confident40 Ų40144 Ų14418%0.17567%0.673CS.*  trans-77.7119.2179.1-174-107000111.3E152 M155 K156 K159 G160 K161 E165E152-F163 HydrophobicContact CG-CE1 3.96Å; E152-F163 HydrophobicContact CG-CZ 3.48Å; E152-F163 VanDerWaalsContact CG-CZ 3.48Å; M155-F163 HydrophobicContact CB-CD2 3.87Å; M155-F163 HydrophobicContact CB-CE2 3.51Å; M155-F163 HydrophobicContact CB-CZ 4.43Å; K156-F163 HydrophobicContact CB-CD1 3.75Å; K156-F163 HydrophobicContact CB-CE1 4.06Å; K156-F163 HydrophobicContact CB-CG 4.04Å; K156-F163 HydrophobicContact CD-CD1 4.26Å; K156-F163 HydrophobicContact CG-CD1 3.86Å; K156-F163 HydrophobicContact CG-CE1 4.47Å; K156-F163 HydrophobicContact CG-CG 4.35Å; K159-F163 HydrophobicContact CB-CB 4.01Å; K159-F163 HydrophobicContact CD-CD2 4.36Å; G160-F163 WeakPolarHBondContact O-CB 3.21Å; G160-F163 PolarHBondContact O-N 2.91Å; G160-F163 VanDerWaalsContact O-N 3.16Å; K161-F163 VanDerWaalsContact C-N 3.29Å; F163-E165 HydrophobicContact CD1-CG 3.97Å; F163-E165 HydrophobicContact CE1-CB 4.41Å; F163-E165 HydrophobicContact CE1-CG 3.7Å
164T82.9Confident78.8Confident122 Ų122148.4 Ų148.475%0.74869%0.685SS**  trans-94.2111.217244.60000110R162R162-T164 PolarHBondContact O-N 2.88Å
165E80.9Confident77.9Confident122 Ų122148.9 Ų148.957%0.5770%0.695SS**PPolyproline II helixtrans-62.8140176.8-74.4-179.7179.600111.1K156 F163 K167K156-E165 IonicContact NZ-OE1 2.68Å; K156-E165 PolarHBondContact NZ-OE1 2.91Å; F163-E165 HydrophobicContact CD1-CG 3.97Å; F163-E165 HydrophobicContact CE1-CB 4.41Å; F163-E165 HydrophobicContact CE1-CG 3.7Å; E165-K167 PolarHBondContact O-N 3.35Å
166R78.1Confident77.1Confident200 Ų200154.5 Ų154.576%0.75572%0.717SS**PPolyproline II helixtrans-71.3123.3176.3-72-178.3172178.4-2.2108.6
167K78.9Confident76.4Confident191 Ų191152.6 Ų152.683%0.8371%0.712SS**PPolyproline II helixtrans-61.9135.7171.7-67-179.1-179.5177.70108.9E165 V169E165-K167 PolarHBondContact O-N 3.35Å; K167-V169 PolarHBondContact O-N 3.37Å
168P74.3Confident76Confident116 Ų116149.4 Ų149.475%0.75370%0.702SS**PPolyproline II helixtrans-59.1128.9178.524.2-33.2000109.7R170P168-R170 PolarHBondContact O-N 2.85Å; P168-R170 VanDerWaalsContact O-N 3.13Å
169V70.6Confident75.6Confident123 Ų123150.6 Ų150.675%0.74570%0.699SS**PPolyproline II helixtrans-63.6116.3172.6179.70000106.9K167 L171K167-V169 PolarHBondContact O-N 3.37Å; V169-L171 VanDerWaalsContact C-N 3.35Å; V169-L171 HydrophobicContact CG1-CD2 4.26Å; V169-L171 PolarHBondContact O-N 3.01Å
170R67.7Low75.3Confident205 Ų205150.5 Ų150.577%0.77471%0.705SS**  trans-70.693.4175.2-67.5-158.6-176.4-1562.9109P168 N172 R173P168-R170 PolarHBondContact O-N 2.85Å; P168-R170 VanDerWaalsContact O-N 3.13Å; R170-N172 PolarHBondContact O-N 3.27Å; R170-N172 VanDerWaalsContact O-N 3.1Å; R170-R173 PolarHBondContact O-N 3.09Å
171L67.4Low75.3Confident149 Ų149152.6 Ų152.678%0.7870%0.703SS**THydrogen-bonded Turntrans-61.8-13.2176.2-62.7178.4000113V169 R173V169-L171 VanDerWaalsContact C-N 3.35Å; V169-L171 HydrophobicContact CG1-CD2 4.26Å; V169-L171 PolarHBondContact O-N 3.01Å; L171-R173 PolarHBondContact O-N 3.38Å
172N63.1Low75.4Confident155 Ų155146.1 Ų146.183%0.82968%0.678SS**THydrogen-bonded Turntrans-69.2-8.5176.3-5911.6000113.5R170 R174R170-N172 PolarHBondContact O-N 3.27Å; R170-N172 VanDerWaalsContact O-N 3.1Å; N172-R174 PolarHBondContact O-N 2.79Å; N172-R174 VanDerWaalsContact O-N 3.14Å
173R61.1Low75.5Confident218 Ų218141.5 Ų141.582%0.82366%0.664SS**SBendtrans-71.6107.9168.9-70.2-167.5-179.1-162.80.4107.6R170 L171 Q175R170-R173 PolarHBondContact O-N 3.09Å; L171-R173 PolarHBondContact O-N 3.38Å; R173-Q175 PolarHBondContact O-N 2.84Å; R173-Q175 VanDerWaalsContact O-N 3.11Å
174R59.8Low75.4Confident239 Ų239145.4 Ų145.490%0.90268%0.683SS**  trans-30.8113.9-179.4-67.9-175.9171.7-162.4-3.9110.8N172 K176N172-R174 PolarHBondContact O-N 2.79Å; N172-R174 VanDerWaalsContact O-N 3.14Å; R174-K176 PolarHBondContact O-N 3.16Å
175Q71.1Confident75.4Confident183 Ų183146 Ų14686%0.85568%0.675SS**PPolyproline II helixtrans-48.2128.6170.4-176.1150.7-10.700107.9R173 L177R173-Q175 PolarHBondContact O-N 2.84Å; R173-Q175 VanDerWaalsContact O-N 3.11Å; Q175-L177 PolarHBondContact O-N 3.08Å
176K73Confident75.4Confident195 Ų195145.2 Ų145.285%0.84867%0.674SS**PPolyproline II helixtrans-57.1132.8172.7-74.3-174.9176.5-176.50106.7R174R174-K176 PolarHBondContact O-N 3.16Å
177L74.9Confident75.4Confident69 Ų69138.9 Ų138.936%0.36167%0.665SS.*PPolyproline II helixtrans-53.7144.1173-68.1161.5000108.8Q175 E181 I182 K185Q175-L177 PolarHBondContact O-N 3.08Å; L177-E181 VanDerWaalsContact CA-OE2 3.32Å; L177-E181 WeakPolarHBondContact CA-OE2 3.33Å; L177-E181 HydrophobicContact CB-CB 3.96Å; L177-E181 HydrophobicContact CD2-CB 4.08Å; L177-E181 HydrophobicContact CD2-CG 4.49Å; L177-E181 WeakPolarHBondContact CD2-OE2 3.45Å; L177-I182 HydrophobicContact CB-CD1 4.45Å; L177-I182 HydrophobicContact CB-CG1 3.76Å; L177-I182 WeakPolarHBondContact O-CD1 3.41Å; L177-K185 HydrophobicContact CD1-CD 3.87Å
178T81.5Confident75.2Confident76 Ų76137 Ų13747%0.46666%0.659SS.*PPolyproline II helixtrans-61.4156.6172.348.60000110.3D180 E181 I182T178-D180 PolarHBondContact O-N 3.05Å; T178-E181 PolarHBondContact N-OE2 2.99Å; T178-E181 PolarHBondContact O-N 3.3Å; T178-E181 VanDerWaalsContact O-N 3.14Å; T178-E181 WeakPolarHBondContact OG1-CG 3.35Å; T178-E181 PolarHBondContact OG1-OE2 3.05Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.04Å
179E83.8Confident75.4Confident148 Ų148133.3 Ų133.369%0.69264%0.635SS**Hα-helixtrans-55.9-35.5-178.7-68.3-175.9179.600112.3I182 K183E179-I182 PolarHBondContact O-N 3.46Å; E179-K183 WeakPolarHBondContact O-CG 3.35Å; E179-K183 PolarHBondContact O-N 3.01Å
180D81.6Confident75.6Confident116 Ų116133.5 Ų133.562%0.6264%0.643SS**Hα-helixtrans-67.6-46.3177.6-61.1-31.4000111.6T178 I182 K183 E184T178-D180 PolarHBondContact O-N 3.05Å; D180-I182 VanDerWaalsContact C-N 3.27Å; D180-I182 PolarHBondContact O-N 3.1Å; D180-K183 PolarHBondContact O-N 2.91Å; D180-E184 WeakPolarHBondContact O-CB 3.36Å; D180-E184 PolarHBondContact O-N 3.34Å
181E83.7Confident75.7Confident87 Ų87134.4 Ų134.441%0.40765%0.646SS.*Hα-helixtrans-62.4-33.8173.9-72.4170.4149.700112.4L177 T178 K185L177-E181 VanDerWaalsContact CA-OE2 3.32Å; L177-E181 WeakPolarHBondContact CA-OE2 3.33Å; L177-E181 HydrophobicContact CB-CB 3.96Å; L177-E181 HydrophobicContact CD2-CB 4.08Å; L177-E181 HydrophobicContact CD2-CG 4.49Å; L177-E181 WeakPolarHBondContact CD2-OE2 3.45Å; T178-E181 PolarHBondContact N-OE2 2.99Å; T178-E181 PolarHBondContact O-N 3.3Å; T178-E181 VanDerWaalsContact O-N 3.14Å; T178-E181 WeakPolarHBondContact OG1-CG 3.35Å; T178-E181 PolarHBondContact OG1-OE2 3.05Å; E181-K185 WeakPolarHBondContact O-CB 3.4Å; E181-K185 PolarHBondContact O-N 3.29Å
182I83.5Confident75.7Confident87 Ų87129.7 Ų129.745%0.44662%0.623SS.*Hα-helixtrans-66.9-47.5174.4-66.1168.5000109.8L177 T178 E179 D180 K185 L186L177-I182 HydrophobicContact CB-CD1 4.45Å; L177-I182 HydrophobicContact CB-CG1 3.76Å; L177-I182 WeakPolarHBondContact O-CD1 3.41Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.04Å; E179-I182 PolarHBondContact O-N 3.46Å; D180-I182 VanDerWaalsContact C-N 3.27Å; D180-I182 PolarHBondContact O-N 3.1Å; I182-K185 PolarHBondContact O-N 2.9Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 PolarHBondContact O-N 3.48Å
183K82.7Confident75.9Confident131 Ų131125.4 Ų125.457%0.5760%0.604SS**Hα-helixtrans-61.5-43.9177.9-75.3173.8-173.4169.20111.5E179 D180 L186 A187E179-K183 WeakPolarHBondContact O-CG 3.35Å; E179-K183 PolarHBondContact O-N 3.01Å; D180-K183 PolarHBondContact O-N 2.91Å; K183-L186 WeakPolarHBondContact O-CB 3.36Å; K183-L186 PolarHBondContact O-N 3.26Å; K183-L186 VanDerWaalsContact O-N 3.16Å; K183-A187 WeakPolarHBondContact O-CB 3.4Å; K183-A187 PolarHBondContact O-N 2.9Å
184E82.8Confident76.3Confident122 Ų122119.4 Ų119.457%0.5759%0.593SS**Hα-helixtrans-64.7-44.8179-169.1177.4-161.700111.4D180 L186 A187 H188D180-E184 WeakPolarHBondContact O-CB 3.36Å; D180-E184 PolarHBondContact O-N 3.34Å; E184-L186 VanDerWaalsContact C-N 3.27Å; E184-L186 PolarHBondContact O-N 3.19Å; E184-A187 PolarHBondContact O-N 3.11Å; E184-H188 PolarHBondContact O-N 3.24Å; E184-H188 VanDerWaalsContact O-N 3.09Å; E184-H188 PolarHBondContact O-ND1 3.29Å
185K82.3Confident76.8Confident134 Ų134117.7 Ų117.758%0.58360%0.595SS**Hα-helixtrans-61.2-36.5171.6-89.1-168.3175.2175.30113.1L177 E181 I182 S189L177-K185 HydrophobicContact CD1-CD 3.87Å; E181-K185 WeakPolarHBondContact O-CB 3.4Å; E181-K185 PolarHBondContact O-N 3.29Å; I182-K185 PolarHBondContact O-N 2.9Å; K185-S189 PolarHBondContact O-N 3.11Å; K185-S189 VanDerWaalsContact O-N 3.11Å
186L81Confident76.6Confident105 Ų105111.9 Ų111.955%0.5558%0.584SS.*Hα-helixtrans-67.4-44.3177.8-153.175000110I182 K183 E184 H188 S189 T192I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 PolarHBondContact O-N 3.48Å; K183-L186 WeakPolarHBondContact O-CB 3.36Å; K183-L186 PolarHBondContact O-N 3.26Å; K183-L186 VanDerWaalsContact O-N 3.16Å; E184-L186 VanDerWaalsContact C-N 3.27Å; E184-L186 PolarHBondContact O-N 3.19Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 2.82Å; L186-S189 WeakPolarHBondContact O-CB 3.1Å; L186-S189 PolarHBondContact O-N 3.05Å; L186-T192 HydrophobicContact CG-CG2 4.33Å; L186-T192 WeakPolarHBondContact O-CG2 3.45Å; L186-T192 PolarHBondContact O-OG1 3.04Å
187A78.7Confident76.1Confident68 Ų68105 Ų10556%0.56256%0.56SS**Hα-helixtrans-61.6-32.5177.900000113.6K183 E184 T192K183-A187 WeakPolarHBondContact O-CB 3.4Å; K183-A187 PolarHBondContact O-N 2.9Å; E184-A187 PolarHBondContact O-N 3.11Å; A187-T192 PolarHBondContact O-OG1 3.06Å; A187-T192 VanDerWaalsContact O-OG1 3.05Å
188H74.3Confident75.3Confident152 Ų152108 Ų10870%0.70458%0.576SS**THydrogen-bonded Turntrans-90.5-0.1174.5-65.384.7000113.3E184 L186E184-H188 PolarHBondContact O-N 3.24Å; E184-H188 VanDerWaalsContact O-N 3.09Å; E184-H188 PolarHBondContact O-ND1 3.29Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 2.82Å
189S79.6Confident74.3Confident37 Ų37106.7 Ų106.726%0.25958%0.578SS.*SBendtrans-72.6140.9178.3-168.30000109.3K185 L186 R191 T192K185-S189 PolarHBondContact O-N 3.11Å; K185-S189 VanDerWaalsContact O-N 3.11Å; L186-S189 WeakPolarHBondContact O-CB 3.1Å; L186-S189 PolarHBondContact O-N 3.05Å; S189-R191 PolarHBondContact O-N 2.99Å; S189-R191 PolarHBondContact OG-N 2.9Å; S189-T192 PolarHBondContact O-N 3.35Å; S189-T192 PolarHBondContact O-OG1 3.34Å
190S74.6Confident73.2Confident128 Ų128108.4 Ų108.490%0.89558%0.583SS**THydrogen-bonded Turntrans-59.7-6.9168.256.10000113.8
191R70.2Confident72.5Confident224 Ų224105.8 Ų105.885%0.84557%0.574SS**THydrogen-bonded Turntrans-86.4-19.2175.9-66.7179.1166.4160.3-3.4114S189S189-R191 PolarHBondContact O-N 2.99Å; S189-R191 PolarHBondContact OG-N 2.9Å
192T67.2Low71.6Confident50 Ų50104.2 Ų104.231%0.30758%0.576SS.*SBendtrans-80.3126174.932.80000109.9L186 A187 S189L186-T192 HydrophobicContact CG-CG2 4.33Å; L186-T192 WeakPolarHBondContact O-CG2 3.45Å; L186-T192 PolarHBondContact O-OG1 3.04Å; A187-T192 PolarHBondContact O-OG1 3.06Å; A187-T192 VanDerWaalsContact O-OG1 3.05Å; S189-T192 PolarHBondContact O-N 3.35Å; S189-T192 PolarHBondContact O-OG1 3.34Å
193P66.7Low70.9Confident65 Ų65105.6 Ų105.642%0.42259%0.588SS.*PPolyproline II helixtrans-62.5139.8177-1425.7000110.3C197P193-C197 HydrophobicContact CB-CB 4.46Å
194P70.4Confident70.1Confident91 Ų91100.1 Ų100.159%0.59157%0.566SS**PPolyproline II helixtrans-60.1147172.717.7-22.4000110.8G196 C197P194-G196 PolarHBondContact O-N 3.38Å; P194-C197 HydrophobicContact CG-CB 4.38Å; P194-C197 WeakPolarHBondContact O-CB 3.04Å; P194-C197 PolarHBondContact O-N 3.2Å; P194-C197 VanDerWaalsContact O-N 3.08Å
195E69.2Low69.5Low204 Ų20496.9 Ų96.995%0.95355%0.553SS**THydrogen-bonded Turntrans-54.5129.6177-73.4-172.7157.800110.2
196G67Low69Low60 Ų6095.3 Ų95.362%0.61956%0.556SS**THydrogen-bonded Turntrans96.1-7.7-175.700000115.8P194P194-G196 PolarHBondContact O-N 3.38Å
197C63.5Low68.7Low50 Ų5098.1 Ų98.134%0.33857%0.567SS.*  trans-89.8-0.6174.6-72.90000114.6P193 P194 G199 F200 S204P193-C197 HydrophobicContact CB-CB 4.46Å; P194-C197 HydrophobicContact CG-CB 4.38Å; P194-C197 WeakPolarHBondContact O-CB 3.04Å; P194-C197 PolarHBondContact O-N 3.2Å; P194-C197 VanDerWaalsContact O-N 3.08Å; C197-G199 PolarHBondContact O-N 3.49Å; C197-F200 PolarHBondContact O-N 2.87Å; C197-F200 VanDerWaalsContact O-N 3.1Å; C197-S204 PolarHBondContact O-OG 3.1Å
198L57.6Low68.5Low133 Ų13398.9 Ų98.970%0.69656%0.557SS**THydrogen-bonded Turntrans-62.1110178.2-65.2178.2000109.8
199G59.7Low68.5Low49 Ų4995.1 Ų95.151%0.50554%0.541SS..THydrogen-bonded Turntrans106.2-9-179.500000115.6C197C197-G199 PolarHBondContact O-N 3.49Å
200F61.2Low68.2Low184 Ų18495.7 Ų95.781%0.80755%0.553SS**THydrogen-bonded Turntrans-86.2-20.5178.4-78.6-84.3000114C197C197-F200 PolarHBondContact O-N 2.87Å; C197-F200 VanDerWaalsContact O-N 3.1Å
201S66.1Low68.3Low61 Ų6193 Ų9343%0.42753%0.534SS..SBendtrans-124.7139.1178.2170.40000110.5V203 S204 N205S201-V203 PolarHBondContact O-N 2.69Å; S201-V203 VanDerWaalsContact O-N 3.11Å; S201-V203 PolarHBondContact OG-N 3.15Å; S201-S204 WeakPolarHBondContact CB-OG 3.1Å; S201-S204 PolarHBondContact N-OG 3.27Å; S201-S204 VanDerWaalsContact N-OG 3.15Å; S201-S204 WeakPolarHBondContact O-CA 3.48Å; S201-S204 PolarHBondContact O-N 3.26Å; S201-S204 PolarHBondContact O-OG 3.44Å; S201-N205 PolarHBondContact O-N 3.32Å
202A66.4Low68.5Low54 Ų5487 Ų8745%0.44652%0.518SS..G310 helixtrans-51.4-34.717400000112.1S204 F208A202-S204 VanDerWaalsContact C-N 3.34Å; A202-S204 PolarHBondContact O-N 3.11Å; A202-F208 HydrophobicContact CB-CD1 4.06Å; A202-F208 HydrophobicContact CB-CE1 3.77Å; A202-F208 HydrophobicContact CB-CZ 4.15Å; A202-F208 WeakPolarHBondContact O-CD1 3.49Å
203V67.9Low68.6Low115 Ų11592.4 Ų92.470%0.69754%0.538SS*.G310 helixtrans-74.8-23.8179.1-171.40000112.6S201S201-V203 PolarHBondContact O-N 2.69Å; S201-V203 VanDerWaalsContact O-N 3.11Å; S201-V203 PolarHBondContact OG-N 3.15Å
204S66.3Low68.8Low16 Ų1693 Ų9311%0.11255%0.548CS..G310 helixtrans-93.8-8.4-178.768.10000114C197 S201 A202 P206C197-S204 PolarHBondContact O-OG 3.1Å; S201-S204 WeakPolarHBondContact CB-OG 3.1Å; S201-S204 PolarHBondContact N-OG 3.27Å; S201-S204 VanDerWaalsContact N-OG 3.15Å; S201-S204 WeakPolarHBondContact O-CA 3.48Å; S201-S204 PolarHBondContact O-N 3.26Å; S201-S204 PolarHBondContact O-OG 3.44Å; A202-S204 VanDerWaalsContact C-N 3.34Å; A202-S204 PolarHBondContact O-N 3.11Å; S204-P206 WeakPolarHBondContact O-CD 3.5Å
205N69.7Low68.2Low55 Ų5591.6 Ų91.629%0.29455%0.551SS.*  trans-90.4111.4-177.2-176.9-13.7000110S201 E207 F208 M209S201-N205 PolarHBondContact O-N 3.32Å; N205-E207 VanDerWaalsContact C-N 3.3Å; N205-E207 PolarHBondContact O-N 2.98Å; N205-E207 PolarHBondContact OD1-N 2.68Å; N205-F208 HydrophobicContact CB-CB 3.89Å; N205-F208 PolarHBondContact O-N 3.25Å; N205-F208 PolarHBondContact OD1-N 3.45Å; N205-M209 WeakPolarHBondContact O-CG 3.34Å; N205-M209 PolarHBondContact O-N 2.88Å
206P72.5Confident67.6Low101 Ų10185.3 Ų85.366%0.65654%0.541SS*.Hα-helixtrans-65.3-31.2-177.325.5-32.6000113S204 G210S204-P206 WeakPolarHBondContact O-CD 3.5Å; P206-G210 PolarHBondContact O-N 3.43Å
207E74.1Confident66.4Low164 Ų16494.3 Ų94.377%0.76657%0.573SS**Hα-helixtrans-69.5-44.7176.6-67.6-155.615300111.6N205 G210 S211N205-E207 VanDerWaalsContact C-N 3.3Å; N205-E207 PolarHBondContact O-N 2.98Å; N205-E207 PolarHBondContact OD1-N 2.68Å; E207-G210 PolarHBondContact O-N 3.21Å; E207-S211 PolarHBondContact O-N 3.16Å; E207-S211 PolarHBondContact O-OG 3.21Å
208F74.4Confident66.6Low84 Ų8496.6 Ų96.637%0.36859%0.585SS.*Hα-helixtrans-62.4-45.3177.6176.5-93.1000112.1A202 N205 G210 S211 L212A202-F208 HydrophobicContact CB-CD1 4.06Å; A202-F208 HydrophobicContact CB-CE1 3.77Å; A202-F208 HydrophobicContact CB-CZ 4.15Å; A202-F208 WeakPolarHBondContact O-CD1 3.49Å; N205-F208 HydrophobicContact CB-CB 3.89Å; N205-F208 PolarHBondContact O-N 3.25Å; N205-F208 PolarHBondContact OD1-N 3.45Å; F208-G210 VanDerWaalsContact C-N 3.3Å; F208-G210 PolarHBondContact O-N 3.47Å; F208-S211 PolarHBondContact O-N 3.33Å; F208-S211 PolarHBondContact O-OG 3.13Å; F208-L212 HydrophobicContact CE1-CD1 3.71Å; F208-L212 HydrophobicContact CE2-CD1 4.35Å; F208-L212 HydrophobicContact CZ-CD1 3.56Å; F208-L212 PolarHBondContact O-N 3.1Å
209M73.8Confident67Low73 Ų7394.6 Ų94.636%0.3658%0.579SS.*Hα-helixtrans-67.5-32.1178.8-70.9-63.8-67.600112N205 F213N205-M209 WeakPolarHBondContact O-CG 3.34Å; N205-M209 PolarHBondContact O-N 2.88Å; M209-F213 HydrophobicContact CE-CE2 4.22Å
210G73.6Confident67.4Low49 Ų4997.2 Ų97.251%0.50558%0.583SS.*Hα-helixtrans-65.8-41171.600000112.7P206 E207 F208 A214P206-G210 PolarHBondContact O-N 3.43Å; E207-G210 PolarHBondContact O-N 3.21Å; F208-G210 VanDerWaalsContact C-N 3.3Å; F208-G210 PolarHBondContact O-N 3.47Å; G210-A214 WeakPolarHBondContact O-CB 3.38Å
211S76.6Confident67.8Low72 Ų7292.1 Ų92.150%0.50357%0.57SS.*Hα-helixtrans-74.9-28.8179.161.40000114E207 F208 F213 A214E207-S211 PolarHBondContact O-N 3.16Å; E207-S211 PolarHBondContact O-OG 3.21Å; F208-S211 PolarHBondContact O-N 3.33Å; F208-S211 PolarHBondContact O-OG 3.13Å; S211-F213 VanDerWaalsContact C-N 3.29Å; S211-F213 PolarHBondContact O-N 3.26Å; S211-A214 PolarHBondContact O-N 3.42Å
212L75Confident67.9Low97 Ų9794 Ų9451%0.50858%0.579SS.*Hα-helixtrans-62.7-33.9-175.8-158.496.1000113.2F208F208-L212 HydrophobicContact CE1-CD1 3.71Å; F208-L212 HydrophobicContact CE2-CD1 4.35Å; F208-L212 HydrophobicContact CZ-CD1 3.56Å; F208-L212 PolarHBondContact O-N 3.1Å
213F69Low68Low163 Ų16396.7 Ų96.772%0.71559%0.588SS**Hα-helixtrans-106.2-7.8-177.8-64.5-73.5000113.7M209 S211 G215M209-F213 HydrophobicContact CE-CE2 4.22Å; S211-F213 VanDerWaalsContact C-N 3.29Å; S211-F213 PolarHBondContact O-N 3.26Å; F213-G215 PolarHBondContact O-N 3.14Å
214A70.1Confident68Low77 Ų7795.4 Ų95.464%0.63658%0.58SS**SBendtrans-75.4-3.2-179.500000113.8G210 S211G210-A214 WeakPolarHBondContact O-CB 3.38Å; S211-A214 PolarHBondContact O-N 3.42Å
215G57.9Low68.2Low63 Ų63101.5 Ų101.565%0.64962%0.616SS**  trans58.266.5179.500000111F213 L217F213-G215 PolarHBondContact O-N 3.14Å; G215-L217 PolarHBondContact O-N 3.32Å
216G57.2Low68Low72 Ų72105.3 Ų105.374%0.74264%0.643SS**  trans-62.5130.2171.300000110.6
217L42.3Very low67.6Low249 Ų249105.7 Ų105.7100%1.30464%0.642SS**  trans-51.80165.9-92.795.2000112.3G215G215-L217 PolarHBondContact O-N 3.32Å

Retrieved 217 of 217 residues in 46.2 ms (Link to these results)