A0A060XPF0_ONCMY Loading...

Transgelin

AlphaFold DB , UniProt , Accession A0A060XPF0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 199 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
1M43.5Very low66.5Low232 Ų232118.1 Ų118.1100%1.14367%0.668SS**  0111.20-68.4177.6-174.600107.8
2A44.8Very low68.2Low68 Ų68116.8 Ų116.856%0.56265%0.649SS**  trans-13398.1166.800000106.1R4A2-R4 PolarHBondContact O-N 3.15Å
3N43Very low69.7Low175 Ų175115.6 Ų115.694%0.93664%0.636SS**  trans-65.687.2166.4-75.5-42.5000106.9G5N3-G5 PolarHBondContact O-N 3.26Å
4R60.3Low70.9Confident181 Ų181112.5 Ų112.568%0.68362%0.621SS**PPolyproline II helixtrans-74.1121.6167.6-75.7-174.2177.7-149.8-5.7106.9A2A2-R4 PolarHBondContact O-N 3.15Å
5G62.3Low71.8Confident52 Ų52108.4 Ų108.454%0.53660%0.596SS.*PPolyproline II helixtrans-60.3166.2171.300000111.4N3 S7N3-G5 PolarHBondContact O-N 3.26Å; G5-S7 PolarHBondContact O-N 3.43Å
6P66.6Low72.8Confident93 Ų93106.9 Ų106.960%0.60458%0.583SS**PPolyproline II helixtrans-54138.4178.9-20.730.5000110.8Y8P6-Y8 HydrophobicContact CB-CE1 4.32Å; P6-Y8 HydrophobicContact CB-CE2 3.94Å; P6-Y8 HydrophobicContact CG-CE2 4.49Å; P6-Y8 WeakPolarHBondContact O-CD2 3.33Å; P6-Y8 WeakPolarHBondContact O-CE2 3.11Å
7S71.2Confident73.8Confident66 Ų66108.5 Ų108.546%0.46258%0.583SS.*PPolyproline II helixtrans-77135.4174.3-63.40000109.1G5 K12G5-S7 PolarHBondContact O-N 3.43Å; S7-K12 WeakPolarHBondContact O-CB 3.38Å
8Y81.8Confident74.5Confident176 Ų176104.3 Ų104.369%0.6956%0.56SS**  trans-123.3157.3-179.8-60.7-78.8000111.3P6P6-Y8 HydrophobicContact CB-CE1 4.32Å; P6-Y8 HydrophobicContact CB-CE2 3.94Å; P6-Y8 HydrophobicContact CG-CE2 4.49Å; P6-Y8 WeakPolarHBondContact O-CD2 3.33Å; P6-Y8 WeakPolarHBondContact O-CE2 3.11Å
9G88.8Confident75.1Confident49 Ų49103.1 Ų103.151%0.50555%0.551SS.*THydrogen-bonded Turntrans60-136.3177.100000113S11 K12 E13G9-S11 PolarHBondContact O-N 2.97Å; G9-K12 WeakPolarHBondContact O-CB 3.38Å; G9-K12 PolarHBondContact O-N 2.7Å; G9-E13 PolarHBondContact O-N 3.17Å
10L85.8Confident75.9Confident128 Ų128105.4 Ų105.467%0.6756%0.562SS**Hα-helixtrans-53.8-38-177.8-177.862.6000113.2K12 E13 V14L10-K12 VanDerWaalsContact C-N 3.29Å; L10-K12 PolarHBondContact O-N 3.34Å; L10-E13 PolarHBondContact O-N 3.18Å; L10-V14 HydrophobicContact CD1-CG2 4.32Å; L10-V14 HydrophobicContact CG-CG2 4.45Å; L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.14Å; L10-V14 PolarHBondContact O-N 2.68Å
11S83.9Confident76.6Confident79 Ų79106.7 Ų106.755%0.55256%0.563SS**Hα-helixtrans-64.3-35.2178.8-58.70000112.4G9 Q15G9-S11 PolarHBondContact O-N 2.97Å; S11-Q15 WeakPolarHBondContact O-CB 3.13Å; S11-Q15 PolarHBondContact O-N 2.8Å; S11-Q15 VanDerWaalsContact O-N 3.13Å
12K86.1Confident79Confident103 Ų10397.2 Ų97.245%0.44852%0.515SS..Hα-helixtrans-70.5-45.8176.1-164-169.6179.3-127.50110.9S7 G9 L10 V14 Q15 E16S7-K12 WeakPolarHBondContact O-CB 3.38Å; G9-K12 WeakPolarHBondContact O-CB 3.38Å; G9-K12 PolarHBondContact O-N 2.7Å; L10-K12 VanDerWaalsContact C-N 3.29Å; L10-K12 PolarHBondContact O-N 3.34Å; K12-V14 VanDerWaalsContact C-N 3.3Å; K12-V14 PolarHBondContact O-N 3.07Å; K12-Q15 WeakPolarHBondContact O-CB 3.43Å; K12-Q15 PolarHBondContact O-N 3.48Å; K12-Q15 VanDerWaalsContact O-N 3.14Å; K12-E16 WeakPolarHBondContact CE-OE1 3.49Å; K12-E16 IonicContact NZ-OE1 3.4Å; K12-E16 PolarHBondContact NZ-OE1 2.86Å; K12-E16 WeakPolarHBondContact O-CG 3.39Å; K12-E16 PolarHBondContact O-N 3.25Å
13E88.1Confident81.3Confident101 Ų10197 Ų9747%0.47250%0.504SS..Hα-helixtrans-61.4-39178.3-67178.9-174.100112.3G9 L10 K17G9-E13 PolarHBondContact O-N 3.17Å; L10-E13 PolarHBondContact O-N 3.18Å; E13-K17 WeakPolarHBondContact O-CB 3.35Å; E13-K17 VanDerWaalsContact O-CG 3.32Å; E13-K17 WeakPolarHBondContact O-CG 3.28Å; E13-K17 PolarHBondContact O-N 2.81Å
14V86.8Confident83.6Confident72 Ų7294 Ų9444%0.43649%0.488SS..Hα-helixtrans-63.9-45.1174.5170.10000110.5L10 K12 K17 I18L10-V14 HydrophobicContact CD1-CG2 4.32Å; L10-V14 HydrophobicContact CG-CG2 4.45Å; L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.14Å; L10-V14 PolarHBondContact O-N 2.68Å; K12-V14 VanDerWaalsContact C-N 3.3Å; K12-V14 PolarHBondContact O-N 3.07Å; V14-K17 PolarHBondContact O-N 2.48Å; V14-I18 HydrophobicContact CG1-CD1 3.91Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.23Å
15Q84.6Confident85.1Confident51 Ų5191.4 Ų91.424%0.23849%0.487CS..Hα-helixtrans-62.2-46.1177.3-170.862.139.700111.5S11 K12 K17 I18 E19 K120S11-Q15 WeakPolarHBondContact O-CB 3.13Å; S11-Q15 PolarHBondContact O-N 2.8Å; S11-Q15 VanDerWaalsContact O-N 3.13Å; K12-Q15 WeakPolarHBondContact O-CB 3.43Å; K12-Q15 PolarHBondContact O-N 3.48Å; K12-Q15 VanDerWaalsContact O-N 3.14Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 2.96Å; Q15-I18 WeakPolarHBondContact O-CB 3.1Å; Q15-I18 PolarHBondContact O-N 3.1Å; Q15-I18 VanDerWaalsContact O-N 3.08Å; Q15-E19 VanDerWaalsContact O-CG 3.29Å; Q15-E19 WeakPolarHBondContact O-CG 3.36Å; Q15-E19 PolarHBondContact O-N 3.01Å; Q15-K120 PolarHBondContact NE2-O 3.07Å
16E87.9Confident86.6Confident84 Ų8491.2 Ų91.239%0.39347%0.474SS..Hα-helixtrans-58.5-42.6176.4-73.3172-179.400111.4K12 I18 E19 L20K12-E16 WeakPolarHBondContact CE-OE1 3.49Å; K12-E16 IonicContact NZ-OE1 3.4Å; K12-E16 PolarHBondContact NZ-OE1 2.86Å; K12-E16 WeakPolarHBondContact O-CG 3.39Å; K12-E16 PolarHBondContact O-N 3.25Å; E16-I18 VanDerWaalsContact C-N 3.33Å; E16-I18 PolarHBondContact O-N 3.09Å; E16-E19 PolarHBondContact O-N 3.17Å; E16-L20 WeakPolarHBondContact O-CG 3.22Å; E16-L20 PolarHBondContact O-N 3.46Å
17K88.9Confident87.9Confident134 Ų13487.1 Ų87.158%0.58345%0.446SS*.Hα-helixtrans-64.8-34.2174.9-75.6173.8-178.1171.40113.5E13 V14 Q15E13-K17 WeakPolarHBondContact O-CB 3.35Å; E13-K17 VanDerWaalsContact O-CG 3.32Å; E13-K17 WeakPolarHBondContact O-CG 3.28Å; E13-K17 PolarHBondContact O-N 2.81Å; V14-K17 PolarHBondContact O-N 2.48Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 2.96Å
18I86.5Confident88.9Confident34 Ų3486.5 Ų86.517%0.17445%0.445CS..Hα-helixtrans-68-43.8174.7-72.1165.4000109.6V14 Q15 E16 L20 K21 D121V14-I18 HydrophobicContact CG1-CD1 3.91Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.23Å; Q15-I18 WeakPolarHBondContact O-CB 3.1Å; Q15-I18 PolarHBondContact O-N 3.1Å; Q15-I18 VanDerWaalsContact O-N 3.08Å; E16-I18 VanDerWaalsContact C-N 3.33Å; E16-I18 PolarHBondContact O-N 3.09Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 2.79Å; I18-K21 WeakPolarHBondContact O-CB 3.34Å; I18-K21 PolarHBondContact O-N 2.82Å; I18-D121 HydrophobicContact CG2-CB 3.93Å; I18-D121 VanDerWaalsContact CG2-CG 3.43Å; I18-D121 VanDerWaalsContact CG2-OD1 3.25Å; I18-D121 WeakPolarHBondContact CG2-OD1 3.43Å
19E85.9Confident89.5Confident81 Ų8182.5 Ų82.538%0.37943%0.429SS..Hα-helixtrans-63.8-36.7179.7-69.2-17716400112.4Q15 E16 K21 Y22 R49Q15-E19 VanDerWaalsContact O-CG 3.29Å; Q15-E19 WeakPolarHBondContact O-CG 3.36Å; Q15-E19 PolarHBondContact O-N 3.01Å; E16-E19 PolarHBondContact O-N 3.17Å; E19-K21 PolarHBondContact O-N 3.19Å; E19-Y22 VanDerWaalsContact O-CB 3.22Å; E19-Y22 WeakPolarHBondContact O-CB 3.29Å; E19-Y22 PolarHBondContact O-N 3.02Å; E19-R49 IonicContact OE1-CZ 2.68Å; E19-R49 IonicContact OE1-NH1 3.64Å; E19-R49 PolarHBondContact OE1-NH1 2.93Å; E19-R49 IonicContact OE1-NH2 2.79Å
20L90.8Very high89.7Confident148 Ų14880.1 Ų80.178%0.77541%0.405SS*.THydrogen-bonded Turntrans-62.3-20.4173-72.6171.5000113.8E16 I18 Y22E16-L20 WeakPolarHBondContact O-CG 3.22Å; E16-L20 PolarHBondContact O-N 3.46Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 2.79Å; L20-Y22 VanDerWaalsContact C-N 3.3Å
21K91.8Very high90.1Very high133 Ų13374.6 Ų74.658%0.57838%0.376SS*.THydrogen-bonded Turntrans-81.3-11.8175.3-63.7173.9-177.6-179.80112.7I18 E19 A123I18-K21 WeakPolarHBondContact O-CB 3.34Å; I18-K21 PolarHBondContact O-N 2.82Å; E19-K21 PolarHBondContact O-N 3.19Å; K21-A123 HydrophobicContact CB-CB 3.83Å
22Y92.6Very high90.5Very high33 Ų3373.2 Ų73.213%0.12936%0.363CS..  trans-72.3128.5178.2-167.3-95.4000110.2E19 L20 L24 E27 R49 M122 Q126E19-Y22 VanDerWaalsContact O-CB 3.22Å; E19-Y22 WeakPolarHBondContact O-CB 3.29Å; E19-Y22 PolarHBondContact O-N 3.02Å; L20-Y22 VanDerWaalsContact C-N 3.3Å; Y22-L24 HydrophobicContact CD1-CD2 4.44Å; Y22-L24 HydrophobicContact CE1-CD2 4.04Å; Y22-E27 VanDerWaalsContact CE1-OE2 3.28Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.48Å; Y22-E27 VanDerWaalsContact CZ-OE2 3.25Å; Y22-E27 VanDerWaalsContact OH-CD 3.31Å; Y22-E27 WeakPolarHBondContact OH-CG 3.49Å; Y22-E27 PolarHBondContact OH-OE2 2.98Å; Y22-R49 HydrophobicContact CD1-CB 4.35Å; Y22-R49 HydrophobicContact CE1-CB 3.82Å; Y22-R49 HydrophobicContact CE1-CG 4.37Å; Y22-R49 HydrophobicContact CE2-CB 4.45Å; Y22-R49 HydrophobicContact CE2-CG 4.17Å; Y22-M122 HydrophobicContact CD2-CB 3.77Å; Y22-M122 HydrophobicContact CE2-CB 3.65Å; Y22-Q126 HydrophobicContact CD2-CG 4.36Å; Y22-Q126 HydrophobicContact CE2-CG 3.9Å
23N93.1Very high90.9Very high64 Ų6468.3 Ų68.334%0.34234%0.341SS..  trans-119.4123.9-176.5-175.4-40.8000110.5D25 L26 E27 Q126N23-D25 WeakPolarHBondContact OD1-CA 3.32Å; N23-D25 WeakPolarHBondContact OD1-CB 3.47Å; N23-D25 PolarHBondContact OD1-N 2.9Å; N23-L26 HydrophobicContact CB-CB 4.05Å; N23-L26 HydrophobicContact CB-CD1 3.89Å; N23-L26 HydrophobicContact CB-CG 3.89Å; N23-L26 PolarHBondContact O-N 3.08Å; N23-L26 PolarHBondContact OD1-N 3.37Å; N23-E27 PolarHBondContact O-N 2.84Å; N23-E27 VanDerWaalsContact O-N 3.09Å; N23-Q126 VanDerWaalsContact N-OE1 3.15Å; N23-Q126 PolarHBondContact O-NE2 3.41Å
24L92.3Very high91.2Very high113 Ų11363.5 Ų63.559%0.59232%0.319SS*.Hα-helixtrans-71.6-34-178.1-66.4170000112.9Y22 L26 E27 A28Y22-L24 HydrophobicContact CD1-CD2 4.44Å; Y22-L24 HydrophobicContact CE1-CD2 4.04Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-E27 WeakPolarHBondContact O-CB 3.43Å; L24-E27 PolarHBondContact O-N 3.42Å; L24-A28 PolarHBondContact O-N 3Å
25D92.3Very high91.4Very high126 Ų12661.4 Ų61.467%0.67431%0.306SS*.Hα-helixtrans-68.1-36.8176-59.8-59.9000111.1N23 R29N23-D25 WeakPolarHBondContact OD1-CA 3.32Å; N23-D25 WeakPolarHBondContact OD1-CB 3.47Å; N23-D25 PolarHBondContact OD1-N 2.9Å; D25-R29 WeakPolarHBondContact O-CB 3.27Å; D25-R29 PolarHBondContact O-N 2.84Å; D25-R29 VanDerWaalsContact O-N 3.13Å
26L92.1Very high91.8Very high48 Ų4860.9 Ų60.925%0.25131%0.31SS..Hα-helixtrans-66.4-38.4172.4-68.2-175.7000111.5N23 L24 R29 L30 M130N23-L26 HydrophobicContact CB-CB 4.05Å; N23-L26 HydrophobicContact CB-CD1 3.89Å; N23-L26 HydrophobicContact CB-CG 3.89Å; N23-L26 PolarHBondContact O-N 3.08Å; N23-L26 PolarHBondContact OD1-N 3.37Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L26-R29 PolarHBondContact O-N 2.96Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 3.14Å; L26-M130 HydrophobicContact CD2-CE 4.21Å; L26-M130 HydrophobicContact CD2-SD 4.24Å
27E94.1Very high91.9Very high7 Ų756.9 Ų56.93%0.03329%0.291CS..Hα-helixtrans-57.6-53.1175-174.8-167.4108.800111Y22 N23 L24 R29 L30 V31 G48 R49 F52Y22-E27 VanDerWaalsContact CE1-OE2 3.28Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.48Å; Y22-E27 VanDerWaalsContact CZ-OE2 3.25Å; Y22-E27 VanDerWaalsContact OH-CD 3.31Å; Y22-E27 WeakPolarHBondContact OH-CG 3.49Å; Y22-E27 PolarHBondContact OH-OE2 2.98Å; N23-E27 PolarHBondContact O-N 2.84Å; N23-E27 VanDerWaalsContact O-N 3.09Å; L24-E27 WeakPolarHBondContact O-CB 3.43Å; L24-E27 PolarHBondContact O-N 3.42Å; E27-R29 VanDerWaalsContact C-N 3.32Å; E27-R29 PolarHBondContact O-N 3.39Å; E27-L30 PolarHBondContact O-N 3.13Å; E27-L30 VanDerWaalsContact O-N 3.14Å; E27-V31 WeakPolarHBondContact O-CG2 3.31Å; E27-V31 PolarHBondContact O-N 2.98Å; E27-G48 PolarHBondContact OE1-N 3.47Å; E27-R49 PolarHBondContact OE2-N 3.32Å; E27-F52 HydrophobicContact CG-CB 4.05Å; E27-F52 HydrophobicContact CG-CD1 4.35Å; E27-F52 HydrophobicContact CG-CD2 3.84Å; E27-F52 HydrophobicContact CG-CE2 4.37Å; E27-F52 HydrophobicContact CG-CG 3.83Å
28A93.1Very high91.9Very high52 Ų5251.7 Ų51.743%0.4327%0.272SS..Hα-helixtrans-57.3-46.3-179.800000111.6L24 L30 V31 D32L24-A28 PolarHBondContact O-N 3Å; A28-L30 PolarHBondContact O-N 3.4Å; A28-V31 PolarHBondContact O-N 2.85Å; A28-D32 PolarHBondContact O-N 3.39Å
29R93.6Very high91.3Very high92 Ų9251.7 Ų51.735%0.34728%0.281SS..Hα-helixtrans-60.2-43.4176.4-175.5-172.5-62.4-161.80.2112.7D25 L26 E27 D32 W33 W150D25-R29 WeakPolarHBondContact O-CB 3.27Å; D25-R29 PolarHBondContact O-N 2.84Å; D25-R29 VanDerWaalsContact O-N 3.13Å; L26-R29 PolarHBondContact O-N 2.96Å; E27-R29 VanDerWaalsContact C-N 3.32Å; E27-R29 PolarHBondContact O-N 3.39Å; R29-D32 PolarHBondContact O-N 2.95Å; R29-W33 WeakPolarHBondContact O-CB 3.29Å; R29-W33 PolarHBondContact O-N 3.02Å; R29-W150 WeakPolarHBondContact CD-O 3.31Å; R29-W150 HydrophobicContact CG-CB 3.85Å; R29-W150 HydrophobicContact CG-CD2 4.31Å; R29-W150 HydrophobicContact CG-CG 3.7Å; R29-W150 PolarHBondContact NH1-O 3.21Å
30L94.4Very high90.2Very high0 Ų051 Ų510%029%0.294CS..Hα-helixtrans-66.2-39.7178.6-74.4174.6000111.4L26 E27 A28 W33 I34 F52 Q126 L129 M130 F151L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 3.14Å; E27-L30 PolarHBondContact O-N 3.13Å; E27-L30 VanDerWaalsContact O-N 3.14Å; A28-L30 PolarHBondContact O-N 3.4Å; L30-W33 HydrophobicContact CD2-CE3 4.23Å; L30-W33 PolarHBondContact O-N 3.32Å; L30-I34 WeakPolarHBondContact O-CB 3.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.36Å; L30-I34 WeakPolarHBondContact O-CG1 3.45Å; L30-I34 PolarHBondContact O-N 3.35Å; L30-F52 HydrophobicContact CB-CZ 4.38Å; L30-Q126 HydrophobicContact CD1-CB 3.97Å; L30-Q126 HydrophobicContact CD1-CG 3.98Å; L30-L129 HydrophobicContact CD1-CB 4.09Å; L30-L129 HydrophobicContact CD1-CD1 4.24Å; L30-L129 HydrophobicContact CD2-CB 3.68Å; L30-L129 HydrophobicContact CG-CB 4.49Å; L30-M130 HydrophobicContact CD1-CG 4.45Å; L30-M130 HydrophobicContact CD2-CG 4.15Å; L30-M130 HydrophobicContact CD2-SD 3.75Å; L30-M130 HydrophobicContact CG-SD 4.2Å; L30-F151 HydrophobicContact CD2-CE1 4.27Å; L30-F151 HydrophobicContact CD2-CZ 4.46Å
31V93.9Very high88.9Confident12 Ų1252.4 Ų52.47%0.07330%0.303CS..Hα-helixtrans-60.4-48.8173.7171.60000110.4E27 A28 W33 I34 V35 P45 F52 W55E27-V31 WeakPolarHBondContact O-CG2 3.31Å; E27-V31 PolarHBondContact O-N 2.98Å; A28-V31 PolarHBondContact O-N 2.85Å; V31-W33 VanDerWaalsContact C-N 3.32Å; V31-W33 PolarHBondContact O-N 3.24Å; V31-I34 PolarHBondContact O-N 3.03Å; V31-V35 VanDerWaalsContact O-CG2 3.29Å; V31-V35 WeakPolarHBondContact O-CG2 3.37Å; V31-V35 PolarHBondContact O-N 2.97Å; V31-P45 HydrophobicContact CG1-CG 4.18Å; V31-P45 HydrophobicContact CG2-CG 3.89Å; V31-F52 HydrophobicContact CG2-CD2 3.66Å; V31-F52 HydrophobicContact CG2-CE2 3.68Å; V31-W55 HydrophobicContact CB-CZ3 4.47Å; V31-W55 HydrophobicContact CG1-CH2 4.27Å; V31-W55 HydrophobicContact CG1-CZ3 4.44Å; V31-W55 HydrophobicContact CG2-CZ3 3.98Å
32D92.9Very high88.4Confident50 Ų5047.4 Ų47.427%0.26728%0.282SS..Hα-helixtrans-58.9-43.8177.8-78.9-34.8000112A28 R29 A36 R44 W150A28-D32 PolarHBondContact O-N 3.39Å; R29-D32 PolarHBondContact O-N 2.95Å; D32-A36 WeakPolarHBondContact O-CB 3.25Å; D32-A36 PolarHBondContact O-N 3.36Å; D32-R44 IonicContact OD1-CZ 3.54Å; D32-R44 IonicContact OD1-NH1 2.7Å; D32-R44 PolarHBondContact OD1-NH1 2.96Å; D32-R44 IonicContact OD1-NH2 3.14Å; D32-R44 PolarHBondContact OD1-NH2 3.33Å; D32-W150 HydrophobicContact CB-CH2 3.91Å; D32-W150 HydrophobicContact CB-CZ2 3.97Å
33W93.8Very high87.8Confident0 Ų054 Ų540%031%0.314CS..Hα-helixtrans-63.8-48.2176.2176.454.6000112.8R29 L30 V31 V35 A36 Q37 L65 L132 Y144 W150 F151R29-W33 WeakPolarHBondContact O-CB 3.29Å; R29-W33 PolarHBondContact O-N 3.02Å; L30-W33 HydrophobicContact CD2-CE3 4.23Å; L30-W33 PolarHBondContact O-N 3.32Å; V31-W33 VanDerWaalsContact C-N 3.32Å; V31-W33 PolarHBondContact O-N 3.24Å; W33-V35 VanDerWaalsContact C-N 3.27Å; W33-V35 PolarHBondContact O-N 3.44Å; W33-A36 PolarHBondContact O-N 3.44Å; W33-Q37 HydrophobicContact CZ2-CG 4.43Å; W33-Q37 WeakPolarHBondContact O-CB 3.32Å; W33-Q37 PolarHBondContact O-N 3.41Å; W33-L65 HydrophobicContact CH2-CD1 4.16Å; W33-L65 HydrophobicContact CH2-CD2 4.17Å; W33-L65 HydrophobicContact CH2-CG 4.43Å; W33-L65 HydrophobicContact CZ2-CD1 4.31Å; W33-L65 HydrophobicContact CZ3-CD1 4.28Å; W33-L65 HydrophobicContact CZ3-CD2 3.95Å; W33-L132 HydrophobicContact CH2-CB 4.45Å; W33-L132 HydrophobicContact CH2-CD2 4.27Å; W33-L132 HydrophobicContact CH2-CG 4.18Å; W33-Y144 AromaticContact CD1-CE2 3.99Å; W33-Y144 AromaticContact CE2-CE2 3.96Å; W33-Y144 HydrophobicContact CZ2-CE2 4.32Å; W33-Y144 AromaticContact NE1-CD2 3.98Å; W33-Y144 AromaticContact NE1-CE2 3.23Å; W33-Y144 AromaticContact NE1-CZ 3.75Å; W33-W150 HydrophobicContact CB-CE3 3.73Å; W33-W150 HydrophobicContact CB-CZ3 3.93Å; W33-W150 HydrophobicContact CG-CE3 4.3Å; W33-F151 HydrophobicContact CB-CE2 3.99Å; W33-F151 HydrophobicContact CB-CZ 3.84Å; W33-F151 AromaticContact CD1-CE2 3.59Å; W33-F151 HydrophobicContact CD2-CE1 4.33Å; W33-F151 AromaticContact CD2-CE2 3.66Å; W33-F151 HydrophobicContact CD2-CE2 3.66Å; W33-F151 AromaticContact CD2-CZ 3.29Å; W33-F151 HydrophobicContact CD2-CZ 3.29Å; W33-F151 AromaticContact CE2-CE2 3.91Å; W33-F151 AromaticContact CE2-CZ 3.86Å; W33-F151 HydrophobicContact CE3-CE1 4.19Å; W33-F151 HydrophobicContact CE3-CE2 4.33Å; W33-F151 AromaticContact CE3-CZ 3.5Å; W33-F151 HydrophobicContact CE3-CZ 3.5Å; W33-F151 AromaticContact CG-CE2 3.45Å; W33-F151 HydrophobicContact CG-CE2 3.45Å; W33-F151 VanDerWaalsContact CG-CE2 3.45Å; W33-F151 AromaticContact CG-CZ 3.43Å; W33-F151 HydrophobicContact CG-CZ 3.43Å; W33-F151 VanDerWaalsContact CG-CZ 3.43Å; W33-F151 HydrophobicContact CZ3-CZ 4.18Å; W33-F151 AromaticContact NE1-CE2 3.87Å
34I93.5Very high87.5Confident0 Ų058.1 Ų58.10%033%0.325CS..Hα-helixtrans-59.4-41.8-179.6-70.3165.6000110.8L30 V31 Q37 C38 W55 L56 I61 L65 L129L30-I34 WeakPolarHBondContact O-CB 3.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.36Å; L30-I34 WeakPolarHBondContact O-CG1 3.45Å; L30-I34 PolarHBondContact O-N 3.35Å; V31-I34 PolarHBondContact O-N 3.03Å; I34-Q37 PolarHBondContact O-N 3.37Å; I34-C38 VanDerWaalsContact O-CB 3.32Å; I34-C38 WeakPolarHBondContact O-CB 3.2Å; I34-C38 PolarHBondContact O-N 3.28Å; I34-C38 PolarHBondContact O-SG 2.91Å; I34-W55 HydrophobicContact CB-CH2 3.97Å; I34-W55 HydrophobicContact CB-CZ3 4.38Å; I34-W55 HydrophobicContact CD1-CH2 4.38Å; I34-W55 HydrophobicContact CD1-CZ3 3.93Å; I34-W55 HydrophobicContact CG2-CH2 3.59Å; I34-W55 HydrophobicContact CG2-CZ2 4.32Å; I34-W55 HydrophobicContact CG2-CZ3 4.19Å; I34-L56 HydrophobicContact CD1-CD2 4.28Å; I34-I61 HydrophobicContact CG2-CG2 3.49Å; I34-I61 VanDerWaalsContact CG2-CG2 3.49Å; I34-L65 HydrophobicContact CG1-CD1 4.15Å; I34-L65 HydrophobicContact CG1-CD2 4.04Å; I34-L129 HydrophobicContact CD1-CD1 4.26Å
35V92.5Very high87.3Confident28 Ų2854 Ų5417%0.1731%0.305CS..Hα-helixtrans-64.8-46.4177.3172.50000111V31 W33 Q37 G39 L42 R44 W55V31-V35 VanDerWaalsContact O-CG2 3.29Å; V31-V35 WeakPolarHBondContact O-CG2 3.37Å; V31-V35 PolarHBondContact O-N 2.97Å; W33-V35 VanDerWaalsContact C-N 3.27Å; W33-V35 PolarHBondContact O-N 3.44Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-Q37 PolarHBondContact O-N 3.14Å; V35-G39 PolarHBondContact O-N 2.9Å; V35-G39 VanDerWaalsContact O-N 3.16Å; V35-L42 HydrophobicContact CG2-CB 4.4Å; V35-R44 HydrophobicContact CG2-CG 4.13Å; V35-W55 HydrophobicContact CG2-CH2 4.4Å; V35-W55 HydrophobicContact CG2-CZ2 4.45Å
36A91.6Very high87.2Confident39 Ų3954.9 Ų54.932%0.32231%0.305SS..Hα-helixtrans-63.9-36.8177.700000112.7D32 W33 W150D32-A36 WeakPolarHBondContact O-CB 3.25Å; D32-A36 PolarHBondContact O-N 3.36Å; W33-A36 PolarHBondContact O-N 3.44Å; A36-W150 HydrophobicContact CB-CZ3 4.3Å
37Q91.4Very high87Confident0 Ų058.1 Ų58.10%033%0.329CS..Hα-helixtrans-78.1-52.3-174.1-175.558.649.700112.4W33 I34 V35 G39 L65 S68 L69 H143 R145W33-Q37 HydrophobicContact CZ2-CG 4.43Å; W33-Q37 WeakPolarHBondContact O-CB 3.32Å; W33-Q37 PolarHBondContact O-N 3.41Å; I34-Q37 PolarHBondContact O-N 3.37Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-Q37 PolarHBondContact O-N 3.14Å; Q37-G39 VanDerWaalsContact C-N 3.35Å; Q37-L65 HydrophobicContact CB-CD1 3.86Å; Q37-L65 HydrophobicContact CG-CD1 3.58Å; Q37-S68 VanDerWaalsContact CG-OG 3.27Å; Q37-S68 WeakPolarHBondContact CG-OG 3.35Å; Q37-S68 PolarHBondContact NE2-OG 3.13Å; Q37-L69 HydrophobicContact CG-CD2 4.24Å; Q37-H143 PolarHBondContact NE2-O 3.46Å; Q37-R145 PolarHBondContact OE1-O 2.94Å
38C87.8Confident86.8Confident25 Ų2558.8 Ų58.817%0.16934%0.338CS..Hα-helixtrans-68.1-35.7179.6-69.30000112.2I34 L42 L65I34-C38 VanDerWaalsContact O-CB 3.32Å; I34-C38 WeakPolarHBondContact O-CB 3.2Å; I34-C38 PolarHBondContact O-N 3.28Å; I34-C38 PolarHBondContact O-SG 2.91Å; C38-L42 HydrophobicContact CB-CD1 3.44Å; C38-L42 VanDerWaalsContact CB-CD1 3.44Å; C38-L65 WeakPolarHBondContact SG-CA 3.44Å; C38-L65 PolarHBondContact SG-N 2.83Å; C38-L65 VanDerWaalsContact SG-N 3.43Å
39G73.9Confident86.6Confident35 Ų3559.5 Ų59.536%0.36133%0.329SS..  trans61.9165.7-169.700000113.1V35 Q37V35-G39 PolarHBondContact O-N 2.9Å; V35-G39 VanDerWaalsContact O-N 3.16Å; Q37-G39 VanDerWaalsContact C-N 3.35Å
40G64.1Low86.4Confident65 Ų6562.1 Ų62.167%0.6735%0.345SS*.SBendtrans90.9166.1-175.900000113.1L42G40-L42 PolarHBondContact O-N 3.39Å
41N63.4Low86.3Confident179 Ų17965.3 Ų65.396%0.95736%0.363SS*.  trans-67.458-178.9-75.5-6.4000112.3E43N41-E43 PolarHBondContact O-N 2.89Å
42L79.9Confident86.3Confident27 Ų2764.7 Ų64.714%0.14136%0.359CS..PPolyproline II helixtrans-67.6116167.2-82149.5000107.6V35 C38 G40 R44 W55 I61V35-L42 HydrophobicContact CG2-CB 4.4Å; C38-L42 HydrophobicContact CB-CD1 3.44Å; C38-L42 VanDerWaalsContact CB-CD1 3.44Å; G40-L42 PolarHBondContact O-N 3.39Å; L42-R44 PolarHBondContact O-N 3.49Å; L42-W55 HydrophobicContact CD2-CZ2 4.39Å; L42-I61 HydrophobicContact CD2-CD1 3.88Å; L42-I61 HydrophobicContact CD2-CG1 4Å; L42-I61 HydrophobicContact CD2-CG2 4.47Å
43E81.2Confident86.4Confident171 Ų17163.6 Ų63.680%0.79935%0.352SS*.PPolyproline II helixtrans-63.7122169.8-67.9-174.1168.900108.5N41 W55N41-E43 PolarHBondContact O-N 2.89Å; E43-W55 PolarHBondContact O-NE1 3.22Å
44R85.7Confident86.4Confident151 Ų15167.7 Ų67.757%0.5738%0.377SS*.PPolyproline II helixtrans-67.4129.8176.6-72.8177.3171.5-125.1-9.5108.4D32 V35 L42D32-R44 IonicContact OD1-CZ 3.54Å; D32-R44 IonicContact OD1-NH1 2.7Å; D32-R44 PolarHBondContact OD1-NH1 2.96Å; D32-R44 IonicContact OD1-NH2 3.14Å; D32-R44 PolarHBondContact OD1-NH2 3.33Å; V35-R44 HydrophobicContact CG2-CG 4.13Å; L42-R44 PolarHBondContact O-N 3.49Å
45P89.2Confident86.4Confident27 Ų2769.5 Ų69.518%0.17538%0.384CS..PPolyproline II helixtrans-65.3152.1173.830.5-35.1000109.4V31 N51 W55V31-P45 HydrophobicContact CG1-CG 4.18Å; V31-P45 HydrophobicContact CG2-CG 3.89Å; P45-N51 HydrophobicContact CB-CB 4.49Å; P45-W55 HydrophobicContact CB-CB 4.04Å; P45-W55 HydrophobicContact CB-CD2 4.26Å; P45-W55 HydrophobicContact CB-CG 4.02Å; P45-W55 HydrophobicContact CG-CB 4.37Å; P45-W55 HydrophobicContact CG-CD2 3.72Å; P45-W55 HydrophobicContact CG-CE3 3.73Å; P45-W55 HydrophobicContact CG-CG 4.03Å; P45-W55 HydrophobicContact CG-CZ3 4.21Å
46Q88.5Confident86.4Confident145 Ų14568.2 Ų68.268%0.67838%0.376SS*.PPolyproline II helixtrans-62.6147.4165.3-66.1-176.819.900109.2N51Q46-N51 WeakPolarHBondContact O-CB 3.13Å; Q46-N51 PolarHBondContact O-ND2 3.2Å
47P88.6Confident86.4Confident115 Ų11568.7 Ų68.775%0.74737%0.372SS*.SBendtrans-54.5145175.5-2534000111.7N51P47-N51 PolarHBondContact O-ND2 3.25Å; P47-N51 VanDerWaalsContact O-ND2 3.15Å
48G89.3Confident86.3Confident21 Ų2170 Ų7022%0.21638%0.379CS..SBendtrans124.2142.5174.100000113E27 Q50 N51 F52E27-G48 PolarHBondContact OE1-N 3.47Å; G48-Q50 VanDerWaalsContact C-N 3.25Å; G48-Q50 PolarHBondContact O-N 3.05Å; G48-Q50 VanDerWaalsContact O-N 3.1Å; G48-N51 PolarHBondContact O-N 2.96Å; G48-N51 VanDerWaalsContact O-N 3.07Å; G48-F52 PolarHBondContact O-N 3.44Å
49R89.3Confident86.4Confident67 Ų6768.8 Ų68.825%0.25337%0.371SS..Hα-helixtrans-46.8-45.3-177.5177.8-177.1165.9-163.31113.8E19 Y22 E27 Q53 G119 M122E19-R49 IonicContact OE1-CZ 2.68Å; E19-R49 IonicContact OE1-NH1 3.64Å; E19-R49 PolarHBondContact OE1-NH1 2.93Å; E19-R49 IonicContact OE1-NH2 2.79Å; Y22-R49 HydrophobicContact CD1-CB 4.35Å; Y22-R49 HydrophobicContact CE1-CB 3.82Å; Y22-R49 HydrophobicContact CE1-CG 4.37Å; Y22-R49 HydrophobicContact CE2-CB 4.45Å; Y22-R49 HydrophobicContact CE2-CG 4.17Å; E27-R49 PolarHBondContact OE2-N 3.32Å; R49-Q53 WeakPolarHBondContact O-CB 3.41Å; R49-Q53 PolarHBondContact O-N 3.06Å; R49-G119 PolarHBondContact NH2-O 3.1Å; R49-M122 HydrophobicContact CG-CB 4.05Å; R49-M122 HydrophobicContact CG-CG 3.88Å
50Q90.3Very high87.3Confident147 Ų14767.6 Ų67.669%0.68736%0.357SS*.Hα-helixtrans-71.3-39.6-174.4-163.4150.133.500111.9G48 Q53 T54G48-Q50 VanDerWaalsContact C-N 3.25Å; G48-Q50 PolarHBondContact O-N 3.05Å; G48-Q50 VanDerWaalsContact O-N 3.1Å; Q50-Q53 PolarHBondContact O-N 3.32Å; Q50-T54 PolarHBondContact O-N 3.11Å; Q50-T54 PolarHBondContact O-OG1 3.34Å; Q50-T54 VanDerWaalsContact O-OG1 3.05Å
51N92.5Very high88.7Confident67 Ų6765 Ų6536%0.35833%0.328SS..Hα-helixtrans-66.3-44.1175.2-64.5-40.5000110.9P45 Q46 P47 G48 Q53 T54 W55P45-N51 HydrophobicContact CB-CB 4.49Å; Q46-N51 WeakPolarHBondContact O-CB 3.13Å; Q46-N51 PolarHBondContact O-ND2 3.2Å; P47-N51 PolarHBondContact O-ND2 3.25Å; P47-N51 VanDerWaalsContact O-ND2 3.15Å; G48-N51 PolarHBondContact O-N 2.96Å; G48-N51 VanDerWaalsContact O-N 3.07Å; N51-Q53 VanDerWaalsContact C-N 3.33Å; N51-Q53 PolarHBondContact O-N 3.11Å; N51-T54 PolarHBondContact O-N 3.4Å; N51-W55 VanDerWaalsContact O-CB 3.32Å; N51-W55 WeakPolarHBondContact O-CB 3.48Å; N51-W55 PolarHBondContact O-N 2.82Å
52F93.6Very high90.1Very high0 Ų056.5 Ų56.50%028%0.282CS..Hα-helixtrans-60.5-41.9175.4-174-108.4000112E27 L30 V31 G48 W55 L56 M122 L129E27-F52 HydrophobicContact CG-CB 4.05Å; E27-F52 HydrophobicContact CG-CD1 4.35Å; E27-F52 HydrophobicContact CG-CD2 3.84Å; E27-F52 HydrophobicContact CG-CE2 4.37Å; E27-F52 HydrophobicContact CG-CG 3.83Å; L30-F52 HydrophobicContact CB-CZ 4.38Å; V31-F52 HydrophobicContact CG2-CD2 3.66Å; V31-F52 HydrophobicContact CG2-CE2 3.68Å; G48-F52 PolarHBondContact O-N 3.44Å; F52-W55 HydrophobicContact CD2-CE3 4.12Å; F52-W55 HydrophobicContact CD2-CZ3 4.43Å; F52-W55 HydrophobicContact CE2-CE3 4.18Å; F52-W55 HydrophobicContact CE2-CZ3 4.13Å; F52-W55 PolarHBondContact O-N 3.38Å; F52-L56 HydrophobicContact CD1-CD1 4.21Å; F52-L56 HydrophobicContact CD2-CD1 4.5Å; F52-L56 HydrophobicContact CE1-CD1 3.58Å; F52-L56 HydrophobicContact CE2-CD1 3.92Å; F52-L56 HydrophobicContact CZ-CD1 3.42Å; F52-L56 VanDerWaalsContact CZ-CD1 3.42Å; F52-L56 HydrophobicContact CZ-CG 4.46Å; F52-L56 PolarHBondContact O-N 2.95Å; F52-M122 HydrophobicContact CD1-CE 3.69Å; F52-M122 HydrophobicContact CE1-CE 4.19Å; F52-L129 HydrophobicContact CZ-CD1 4.07Å
53Q94.3Very high90.8Very high26 Ų2655.3 Ų55.312%0.12128%0.276CS..Hα-helixtrans-60-55173.6-176.1-168.2-13.200111.1R49 Q50 N51 W55 L56 M57 L116 W117 G119 M122R49-Q53 WeakPolarHBondContact O-CB 3.41Å; R49-Q53 PolarHBondContact O-N 3.06Å; Q50-Q53 PolarHBondContact O-N 3.32Å; N51-Q53 VanDerWaalsContact C-N 3.33Å; N51-Q53 PolarHBondContact O-N 3.11Å; Q53-W55 PolarHBondContact O-N 3.45Å; Q53-L56 PolarHBondContact O-N 2.84Å; Q53-L56 VanDerWaalsContact O-N 3.12Å; Q53-M57 WeakPolarHBondContact O-CB 3.38Å; Q53-M57 PolarHBondContact O-N 3.16Å; Q53-L116 HydrophobicContact CG-CD1 4.34Å; Q53-L116 VanDerWaalsContact CG-O 3.25Å; Q53-L116 WeakPolarHBondContact CG-O 3.37Å; Q53-L116 PolarHBondContact NE2-O 3.34Å; Q53-L116 VanDerWaalsContact NE2-O 3.1Å; Q53-W117 PolarHBondContact NE2-O 3.46Å; Q53-G119 VanDerWaalsContact NE2-CA 3.31Å; Q53-G119 VanDerWaalsContact NE2-N 3.19Å; Q53-M122 HydrophobicContact CB-CE 3.83Å; Q53-M122 HydrophobicContact CB-SD 3.89Å; Q53-M122 HydrophobicContact CG-CE 4.32Å; Q53-M122 HydrophobicContact CG-SD 3.82Å
54T92.9Very high91.4Very high86 Ų8651.8 Ų51.853%0.52826%0.256SS..Hα-helixtrans-58.5-36.8-178-58.10000112Q50 N51Q50-T54 PolarHBondContact O-N 3.11Å; Q50-T54 PolarHBondContact O-OG1 3.34Å; Q50-T54 VanDerWaalsContact O-OG1 3.05Å; N51-T54 PolarHBondContact O-N 3.4Å
55W93.4Very high91.8Very high39 Ų3944.6 Ų44.615%0.14823%0.228CC..Hα-helixtrans-63.2-41.5177.2-172.759.2000112.9V31 I34 V35 L42 E43 P45 N51 F52 Q53 I61V31-W55 HydrophobicContact CB-CZ3 4.47Å; V31-W55 HydrophobicContact CG1-CH2 4.27Å; V31-W55 HydrophobicContact CG1-CZ3 4.44Å; V31-W55 HydrophobicContact CG2-CZ3 3.98Å; I34-W55 HydrophobicContact CB-CH2 3.97Å; I34-W55 HydrophobicContact CB-CZ3 4.38Å; I34-W55 HydrophobicContact CD1-CH2 4.38Å; I34-W55 HydrophobicContact CD1-CZ3 3.93Å; I34-W55 HydrophobicContact CG2-CH2 3.59Å; I34-W55 HydrophobicContact CG2-CZ2 4.32Å; I34-W55 HydrophobicContact CG2-CZ3 4.19Å; V35-W55 HydrophobicContact CG2-CH2 4.4Å; V35-W55 HydrophobicContact CG2-CZ2 4.45Å; L42-W55 HydrophobicContact CD2-CZ2 4.39Å; E43-W55 PolarHBondContact O-NE1 3.22Å; P45-W55 HydrophobicContact CB-CB 4.04Å; P45-W55 HydrophobicContact CB-CD2 4.26Å; P45-W55 HydrophobicContact CB-CG 4.02Å; P45-W55 HydrophobicContact CG-CB 4.37Å; P45-W55 HydrophobicContact CG-CD2 3.72Å; P45-W55 HydrophobicContact CG-CE3 3.73Å; P45-W55 HydrophobicContact CG-CG 4.03Å; P45-W55 HydrophobicContact CG-CZ3 4.21Å; N51-W55 VanDerWaalsContact O-CB 3.32Å; N51-W55 WeakPolarHBondContact O-CB 3.48Å; N51-W55 PolarHBondContact O-N 2.82Å; F52-W55 HydrophobicContact CD2-CE3 4.12Å; F52-W55 HydrophobicContact CD2-CZ3 4.43Å; F52-W55 HydrophobicContact CE2-CE3 4.18Å; F52-W55 HydrophobicContact CE2-CZ3 4.13Å; F52-W55 PolarHBondContact O-N 3.38Å; Q53-W55 PolarHBondContact O-N 3.45Å; W55-I61 VanDerWaalsContact CD1-CD1 3.48Å; W55-I61 HydrophobicContact CD2-CD1 3.68Å; W55-I61 HydrophobicContact CG-CD1 3.79Å; W55-I61 HydrophobicContact CZ2-CD1 3.89Å; W55-I61 HydrophobicContact CZ2-CG2 4.48Å; W55-I61 WeakPolarHBondContact O-CD1 3.22Å
56L93.5Very high92Very high0 Ų043.3 Ų43.30%022%0.22CC..Hα-helixtrans-89.6-17.5-179.3-63.7-178.5000114I34 F52 Q53 D58 G59 I61 L62 L116 V125 L129I34-L56 HydrophobicContact CD1-CD2 4.28Å; F52-L56 HydrophobicContact CD1-CD1 4.21Å; F52-L56 HydrophobicContact CD2-CD1 4.5Å; F52-L56 HydrophobicContact CE1-CD1 3.58Å; F52-L56 HydrophobicContact CE2-CD1 3.92Å; F52-L56 HydrophobicContact CZ-CD1 3.42Å; F52-L56 VanDerWaalsContact CZ-CD1 3.42Å; F52-L56 HydrophobicContact CZ-CG 4.46Å; F52-L56 PolarHBondContact O-N 2.95Å; Q53-L56 PolarHBondContact O-N 2.84Å; Q53-L56 VanDerWaalsContact O-N 3.12Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.26Å; L56-G59 WeakPolarHBondContact O-CA 3.25Å; L56-G59 PolarHBondContact O-N 3.27Å; L56-I61 HydrophobicContact CD2-CB 4.09Å; L56-I61 HydrophobicContact CD2-CG2 3.85Å; L56-L62 HydrophobicContact CD1-CD2 4.37Å; L56-L62 HydrophobicContact CD2-CD2 4.04Å; L56-L62 HydrophobicContact CD2-CG 4.31Å; L56-L116 HydrophobicContact CB-CD1 3.88Å; L56-L116 HydrophobicContact CB-CD2 4.15Å; L56-V125 HydrophobicContact CD1-CG1 4.34Å; L56-L129 HydrophobicContact CD1-CD1 4.1Å
57M91.6Very high92.3Very high49 Ų4936.9 Ų36.924%0.24119%0.19CC..Hα-helixtrans-60.5-31.1-171.5-178.2177.170.100114Q53 G59 W117Q53-M57 WeakPolarHBondContact O-CB 3.38Å; Q53-M57 PolarHBondContact O-N 3.16Å; M57-G59 PolarHBondContact O-N 3.33Å; M57-W117 HydrophobicContact CG-CG 4.24Å
58D89.6Confident92.4Very high28 Ų2832.7 Ų32.715%0.1516%0.164CC..THydrogen-bonded Turntrans-70.5-15.3176.2-177.458.7000112.5L56 T60 Q89 K92L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.26Å; D58-T60 PolarHBondContact O-N 3.48Å; D58-T60 VanDerWaalsContact O-N 3.1Å; D58-T60 WeakPolarHBondContact OD2-CB 3.42Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.49Å; D58-T60 PolarHBondContact OD2-OG1 3.4Å; D58-Q89 WeakPolarHBondContact OD1-CG 3.13Å; D58-Q89 PolarHBondContact OD1-NE2 2.71Å; D58-Q89 VanDerWaalsContact OD1-NE2 3.08Å; D58-K92 WeakPolarHBondContact O-CE 3.32Å; D58-K92 PolarHBondContact O-NZ 3.44Å; D58-K92 IonicContact OD1-NZ 3.83Å; D58-K92 PolarHBondContact OD1-NZ 3.19Å; D58-K92 IonicContact OD2-NZ 3.92Å; D58-K92 PolarHBondContact OD2-NZ 3Å; D58-K92 VanDerWaalsContact OD2-NZ 3.08Å
59G90.4Very high92.5Very high0 Ų031.8 Ų31.80%015%0.154CC..SBendtrans75-11.8177.500000114.6L56 M57 I61 L62 C63L56-G59 WeakPolarHBondContact O-CA 3.25Å; L56-G59 PolarHBondContact O-N 3.27Å; M57-G59 PolarHBondContact O-N 3.33Å; G59-I61 PolarHBondContact O-N 2.92Å; G59-L62 PolarHBondContact O-N 3.38Å; G59-C63 PolarHBondContact O-N 2.95Å; G59-C63 PolarHBondContact O-SG 3.45Å
60T91.9Very high92.6Very high10 Ų1030.9 Ų30.96%0.06115%0.151CC..Hα-helixtrans-63.2-41.8-179.543.50000112.7D58 C63 R64 I80 E82 K92D58-T60 PolarHBondContact O-N 3.48Å; D58-T60 VanDerWaalsContact O-N 3.1Å; D58-T60 WeakPolarHBondContact OD2-CB 3.42Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.49Å; D58-T60 PolarHBondContact OD2-OG1 3.4Å; T60-C63 PolarHBondContact O-N 2.88Å; T60-R64 VanDerWaalsContact O-CG 3.31Å; T60-R64 WeakPolarHBondContact O-CG 3.37Å; T60-R64 PolarHBondContact O-N 2.81Å; T60-I80 HydrophobicContact CG2-CG2 3.6Å; T60-E82 HydrophobicContact CG2-CG 3.99Å; T60-K92 HydrophobicContact CG2-CD 4.01Å
61I93Very high92.5Very high11 Ų1126.1 Ų26.16%0.05613%0.132CC..Hα-helixtrans-64.2-42.6176.8-59.6-175.7000110.8I34 L42 W55 L56 G59 R64 L65I34-I61 HydrophobicContact CG2-CG2 3.49Å; I34-I61 VanDerWaalsContact CG2-CG2 3.49Å; L42-I61 HydrophobicContact CD2-CD1 3.88Å; L42-I61 HydrophobicContact CD2-CG1 4Å; L42-I61 HydrophobicContact CD2-CG2 4.47Å; W55-I61 VanDerWaalsContact CD1-CD1 3.48Å; W55-I61 HydrophobicContact CD2-CD1 3.68Å; W55-I61 HydrophobicContact CG-CD1 3.79Å; W55-I61 HydrophobicContact CZ2-CD1 3.89Å; W55-I61 HydrophobicContact CZ2-CG2 4.48Å; W55-I61 WeakPolarHBondContact O-CD1 3.22Å; L56-I61 HydrophobicContact CD2-CB 4.09Å; L56-I61 HydrophobicContact CD2-CG2 3.85Å; G59-I61 PolarHBondContact O-N 2.92Å; I61-R64 PolarHBondContact O-N 2.92Å; I61-L65 WeakPolarHBondContact O-CB 3.44Å; I61-L65 PolarHBondContact O-N 2.97Å
62L94.4Very high92.1Very high0 Ų034.5 Ų34.50%016%0.159CC..Hα-helixtrans-63.5-42.9177-65.9178.8000111.7L56 G59 L65 I66 F96 F111 L116 L129L56-L62 HydrophobicContact CD1-CD2 4.37Å; L56-L62 HydrophobicContact CD2-CD2 4.04Å; L56-L62 HydrophobicContact CD2-CG 4.31Å; G59-L62 PolarHBondContact O-N 3.38Å; L62-L65 WeakPolarHBondContact O-CB 3.16Å; L62-L65 PolarHBondContact O-N 3.39Å; L62-I66 PolarHBondContact O-N 3.49Å; L62-F96 HydrophobicContact CB-CB 4.05Å; L62-F96 HydrophobicContact CB-CD1 4.1Å; L62-F96 HydrophobicContact CB-CD2 3.78Å; L62-F96 HydrophobicContact CB-CE2 4.25Å; L62-F96 HydrophobicContact CB-CG 3.69Å; L62-F96 HydrophobicContact CD1-CD1 4.02Å; L62-F96 HydrophobicContact CD1-CE1 4.34Å; L62-F96 HydrophobicContact CD1-CG 4.42Å; L62-F96 HydrophobicContact CD2-CE1 4.25Å; L62-F96 HydrophobicContact CD2-CE2 4.4Å; L62-F96 HydrophobicContact CD2-CZ 4.16Å; L62-F96 HydrophobicContact CG-CD1 4.47Å; L62-F96 WeakPolarHBondContact O-CD2 3.12Å; L62-F111 HydrophobicContact CD1-CZ 4.16Å; L62-L116 HydrophobicContact CD1-CD2 3.48Å; L62-L116 VanDerWaalsContact CD1-CD2 3.48Å; L62-L129 HydrophobicContact CD2-CD2 3.92Å
63C93.9Very high91.6Very high1 Ų137.9 Ų37.91%0.00719%0.194CC..Hα-helixtrans-63.3-41.5175.2-64.30000112.1G59 T60 L65 I66 N67 I77 I80 K92G59-C63 PolarHBondContact O-N 2.95Å; G59-C63 PolarHBondContact O-SG 3.45Å; T60-C63 PolarHBondContact O-N 2.88Å; C63-L65 VanDerWaalsContact C-N 3.34Å; C63-I66 WeakPolarHBondContact O-CG2 3.22Å; C63-N67 VanDerWaalsContact O-CB 3.31Å; C63-N67 WeakPolarHBondContact O-CB 3.35Å; C63-N67 PolarHBondContact O-N 3.38Å; C63-I77 HydrophobicContact CB-CD1 3.86Å; C63-I77 HydrophobicContact CB-CG2 4.14Å; C63-I77 VanDerWaalsContact SG-CD1 3.56Å; C63-I80 HydrophobicContact CB-CD1 3.6Å; C63-I80 HydrophobicContact CB-CG1 3.88Å; C63-K92 PolarHBondContact SG-O 3.01Å
64R92.4Very high91.2Very high98 Ų9844 Ų4437%0.3722%0.22SC..Hα-helixtrans-63.8-40.9174.7-72.4177.2-170.2162.39.3111.3T60 I61 N67 S68 I80 E82T60-R64 VanDerWaalsContact O-CG 3.31Å; T60-R64 WeakPolarHBondContact O-CG 3.37Å; T60-R64 PolarHBondContact O-N 2.81Å; I61-R64 PolarHBondContact O-N 2.92Å; R64-N67 PolarHBondContact O-N 3.23Å; R64-S68 WeakPolarHBondContact O-CB 3.24Å; R64-S68 PolarHBondContact O-N 2.94Å; R64-I80 HydrophobicContact CG-CD1 3.85Å; R64-E82 IonicContact NH2-OE1 3.26Å; R64-E82 PolarHBondContact NH2-OE1 3.12Å
65L94.1Very high91Very high0 Ų043.6 Ų43.60%021%0.212CC..Hα-helixtrans-59.4-55.5178.9179.968.7000110.9W33 I34 Q37 C38 I61 L62 C63 N67 S68 L129 L132W33-L65 HydrophobicContact CH2-CD1 4.16Å; W33-L65 HydrophobicContact CH2-CD2 4.17Å; W33-L65 HydrophobicContact CH2-CG 4.43Å; W33-L65 HydrophobicContact CZ2-CD1 4.31Å; W33-L65 HydrophobicContact CZ3-CD1 4.28Å; W33-L65 HydrophobicContact CZ3-CD2 3.95Å; I34-L65 HydrophobicContact CG1-CD1 4.15Å; I34-L65 HydrophobicContact CG1-CD2 4.04Å; Q37-L65 HydrophobicContact CB-CD1 3.86Å; Q37-L65 HydrophobicContact CG-CD1 3.58Å; C38-L65 WeakPolarHBondContact SG-CA 3.44Å; C38-L65 PolarHBondContact SG-N 2.83Å; C38-L65 VanDerWaalsContact SG-N 3.43Å; I61-L65 WeakPolarHBondContact O-CB 3.44Å; I61-L65 PolarHBondContact O-N 2.97Å; L62-L65 WeakPolarHBondContact O-CB 3.16Å; L62-L65 PolarHBondContact O-N 3.39Å; C63-L65 VanDerWaalsContact C-N 3.34Å; L65-N67 VanDerWaalsContact C-N 3.34Å; L65-N67 PolarHBondContact O-N 3.26Å; L65-S68 PolarHBondContact O-N 3.48Å; L65-S68 PolarHBondContact O-OG 3.08Å; L65-L129 HydrophobicContact CD2-CD2 3.71Å; L65-L132 HydrophobicContact CD2-CD2 4.24Å
66I94.3Very high90.8Very high0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-64.4-40.2-179.3-168.360.2000111.4L62 C63 S68 L69 Y70 P76 I77 F96 A99 Y103 L132L62-I66 PolarHBondContact O-N 3.49Å; C63-I66 WeakPolarHBondContact O-CG2 3.22Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.38Å; I66-L69 HydrophobicContact CD1-CD1 4.19Å; I66-L69 WeakPolarHBondContact O-CB 3.38Å; I66-L69 PolarHBondContact O-N 2.91Å; I66-L69 VanDerWaalsContact O-N 3.16Å; I66-Y70 HydrophobicContact CD1-CE2 4.15Å; I66-Y70 HydrophobicContact CG1-CE2 4.15Å; I66-Y70 VanDerWaalsContact O-CD2 3.29Å; I66-Y70 WeakPolarHBondContact O-CD2 3.48Å; I66-P76 HydrophobicContact CG1-CG 4.25Å; I66-P76 HydrophobicContact CG2-CG 4.36Å; I66-I77 HydrophobicContact CG2-CD1 3.81Å; I66-F96 HydrophobicContact CB-CD2 3.85Å; I66-F96 HydrophobicContact CB-CE2 4.08Å; I66-F96 HydrophobicContact CG2-CD2 3.9Å; I66-A99 HydrophobicContact CG1-CB 3.75Å; I66-A99 HydrophobicContact CG2-CB 4.27Å; I66-Y103 HydrophobicContact CD1-CD2 4.45Å; I66-Y103 HydrophobicContact CD1-CG 4.2Å; I66-L132 HydrophobicContact CD1-CD1 3.85Å; I66-L132 HydrophobicContact CD1-CD2 4.25Å
67N93.9Very high90.6Very high10 Ų1044.8 Ų44.85%0.05322%0.224CC..Hα-helixtrans-61.2-37.7177.4-78.3-3.2000112.8C63 R64 L65 L69 Y70 E75 P76 I77C63-N67 VanDerWaalsContact O-CB 3.31Å; C63-N67 WeakPolarHBondContact O-CB 3.35Å; C63-N67 PolarHBondContact O-N 3.38Å; R64-N67 PolarHBondContact O-N 3.23Å; L65-N67 VanDerWaalsContact C-N 3.34Å; L65-N67 PolarHBondContact O-N 3.26Å; N67-L69 PolarHBondContact O-N 3.38Å; N67-Y70 PolarHBondContact O-N 2.92Å; N67-E75 HydrophobicContact CB-CB 4.23Å; N67-E75 HydrophobicContact CB-CG 4.02Å; N67-P76 VanDerWaalsContact OD1-CD 3.31Å; N67-P76 WeakPolarHBondContact OD1-CD 3.13Å; N67-I77 PolarHBondContact ND2-O 3.32Å; N67-I77 PolarHBondContact OD1-N 3.38Å; N67-I77 VanDerWaalsContact OD1-N 3.1Å
68S92.1Very high90.2Very high27 Ų2751 Ų5119%0.18925%0.25CS..Hα-helixtrans-65.4-20.8179.675.90000113.8Q37 R64 L65 I66 Y70Q37-S68 VanDerWaalsContact CG-OG 3.27Å; Q37-S68 WeakPolarHBondContact CG-OG 3.35Å; Q37-S68 PolarHBondContact NE2-OG 3.13Å; R64-S68 WeakPolarHBondContact O-CB 3.24Å; R64-S68 PolarHBondContact O-N 2.94Å; L65-S68 PolarHBondContact O-N 3.48Å; L65-S68 PolarHBondContact O-OG 3.08Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.38Å; S68-Y70 VanDerWaalsContact C-N 3.26Å
69L91.8Very high89.9Confident1 Ų158 Ų581%0.00528%0.279CS..THydrogen-bonded Turntrans-80.8-6.1175.2-63.9173.8000112.7Q37 I66 N67 Y103 L132 A136Q37-L69 HydrophobicContact CG-CD2 4.24Å; I66-L69 HydrophobicContact CD1-CD1 4.19Å; I66-L69 WeakPolarHBondContact O-CB 3.38Å; I66-L69 PolarHBondContact O-N 2.91Å; I66-L69 VanDerWaalsContact O-N 3.16Å; N67-L69 PolarHBondContact O-N 3.38Å; L69-Y103 HydrophobicContact CB-CE2 4.01Å; L69-Y103 HydrophobicContact CD1-CE1 4.22Å; L69-L132 HydrophobicContact CD1-CD1 3.99Å; L69-L132 HydrophobicContact CD1-CD2 4.16Å; L69-L132 HydrophobicContact CD1-CG 3.98Å; L69-A136 HydrophobicContact CD1-CB 4.21Å; L69-A136 HydrophobicContact CD2-CB 3.74Å
70Y91.2Very high89.7Confident49 Ų4960.3 Ų60.319%0.19229%0.291CS..SBendtrans-105.7152.5175.7-75.8-102.3000110.9I66 N67 S68 K74 P76 Y103I66-Y70 HydrophobicContact CD1-CE2 4.15Å; I66-Y70 HydrophobicContact CG1-CE2 4.15Å; I66-Y70 VanDerWaalsContact O-CD2 3.29Å; I66-Y70 WeakPolarHBondContact O-CD2 3.48Å; N67-Y70 PolarHBondContact O-N 2.92Å; S68-Y70 VanDerWaalsContact C-N 3.26Å; Y70-K74 VanDerWaalsContact CD1-O 3.32Å; Y70-K74 WeakPolarHBondContact CD1-O 3.27Å; Y70-P76 HydrophobicContact CD2-CG 4.06Å; Y70-P76 HydrophobicContact CE2-CG 3.85Å; Y70-Y103 HydrophobicContact CD2-CD2 4.41Å; Y70-Y103 AromaticContact CE2-CD2 3.56Å; Y70-Y103 HydrophobicContact CE2-CD2 3.56Å; Y70-Y103 HydrophobicContact CE2-CE2 4.1Å; Y70-Y103 AromaticContact CZ-CD2 3.67Å
71P88.6Confident89.3Confident46 Ų4666 Ų6630%0.29932%0.32SS..  trans-63.7149.5170.523.4-29.6000110.7G73 K74 H143P71-G73 PolarHBondContact O-N 3.31Å; P71-K74 HydrophobicContact CG-CB 4.09Å; P71-K74 HydrophobicContact CG-CD 4.06Å; P71-K74 HydrophobicContact CG-CG 4.28Å; P71-K74 PolarHBondContact O-N 3.36Å; P71-H143 WeakPolarHBondContact CB-NE2 3.28Å
72R83.4Confident88.7Confident244 Ų24472 Ų7292%0.92135%0.348SS*.THydrogen-bonded Turntrans-50.9125.5177.5-72.7-172.9174.3-170-1.2110.5
73G81.8Confident88.2Confident71 Ų7173.6 Ų73.673%0.73236%0.358SS*.THydrogen-bonded Turntrans92.7-12.4179.700000115.7P71P71-G73 PolarHBondContact O-N 3.31Å
74K86.9Confident87.7Confident155 Ų15582 Ų8267%0.67440%0.397SS*.  trans-105.520171.2-62.5-168.1179.4178.70112.9Y70 P71Y70-K74 VanDerWaalsContact CD1-O 3.32Å; Y70-K74 WeakPolarHBondContact CD1-O 3.27Å; P71-K74 HydrophobicContact CG-CB 4.09Å; P71-K74 HydrophobicContact CG-CD 4.06Å; P71-K74 HydrophobicContact CG-CG 4.28Å; P71-K74 PolarHBondContact O-N 3.36Å
75E89Confident87.5Confident76 Ų7683.4 Ų83.436%0.35541%0.41SS..  trans-61.5128.7179-65.8170.9171.100110.3N67 I77N67-E75 HydrophobicContact CB-CB 4.23Å; N67-E75 HydrophobicContact CB-CG 4.02Å; E75-I77 VanDerWaalsContact C-N 3.26Å; E75-I77 PolarHBondContact O-N 3.06Å
76P88.7Confident87.3Confident56 Ų5685.4 Ų85.436%0.36443%0.426SS..SBendtrans-65.2-31.8178.824.1-32.5000111.9I66 N67 Y70 A99I66-P76 HydrophobicContact CG1-CG 4.25Å; I66-P76 HydrophobicContact CG2-CG 4.36Å; N67-P76 VanDerWaalsContact OD1-CD 3.31Å; N67-P76 WeakPolarHBondContact OD1-CD 3.13Å; Y70-P76 HydrophobicContact CD2-CG 4.06Å; Y70-P76 HydrophobicContact CE2-CG 3.85Å; P76-A99 HydrophobicContact CB-CB 3.84Å; P76-A99 HydrophobicContact CG-CB 3.83Å
77I89.6Confident87.1Confident8 Ų892.5 Ų92.54%0.04146%0.457CS..  trans-115.895-173.2-54.1175.9000110.2C63 I66 N67 E75 I80 Q95C63-I77 HydrophobicContact CB-CD1 3.86Å; C63-I77 HydrophobicContact CB-CG2 4.14Å; C63-I77 VanDerWaalsContact SG-CD1 3.56Å; I66-I77 HydrophobicContact CG2-CD1 3.81Å; N67-I77 PolarHBondContact ND2-O 3.32Å; N67-I77 PolarHBondContact OD1-N 3.38Å; N67-I77 VanDerWaalsContact OD1-N 3.1Å; E75-I77 VanDerWaalsContact C-N 3.26Å; E75-I77 PolarHBondContact O-N 3.06Å; I77-I80 HydrophobicContact CG2-CG1 4.07Å; I77-Q95 HydrophobicContact CD1-CB 3.92Å; I77-Q95 HydrophobicContact CG1-CB 4.28Å
78K83.4Confident87Confident181 Ų18196.1 Ų96.179%0.78747%0.472SS*.  trans-76.3-26.3-171.8-62.2-177.7-179.21800115.2
79K83.3Confident87Confident174 Ų17495.6 Ų95.676%0.75747%0.467SS*.  trans-126.8105.7-173.8-70.9-175.4-179.9-179.90110.2
80I85.3Confident87Confident48 Ų4898.3 Ų98.325%0.24648%0.48CS..  trans-107.193.4176.3-56.5176.9000107.3T60 C63 R64 I77T60-I80 HydrophobicContact CG2-CG2 3.6Å; C63-I80 HydrophobicContact CB-CD1 3.6Å; C63-I80 HydrophobicContact CB-CG1 3.88Å; R64-I80 HydrophobicContact CG-CD1 3.85Å; I77-I80 HydrophobicContact CG2-CG1 4.07Å
81L83.3Confident87.1Confident130 Ų13099.3 Ų99.368%0.68149%0.486SS*.  trans-97.1132.6176.2-68.6169.3000110.1K92L81-K92 PolarHBondContact O-NZ 2.87Å
82E80.8Confident87.4Confident138 Ų13897.7 Ų97.765%0.64548%0.475SS*.  trans-78.9128.3171.8-73.5174.4-163.400109T60 R64T60-E82 HydrophobicContact CG2-CG 3.99Å; R64-E82 IonicContact NH2-OE1 3.26Å; R64-E82 PolarHBondContact NH2-OE1 3.12Å
83T84.5Confident88Confident33 Ų3386.1 Ų86.120%0.20243%0.431CS..  trans-157.3142.1-177.4176.20000110M85 K88 Q89T83-M85 PolarHBondContact O-N 3.31Å; T83-M85 PolarHBondContact OG1-N 3.49Å; T83-K88 HydrophobicContact CG2-CB 3.34Å; T83-K88 HydrophobicContact CG2-CG 4.02Å; T83-Q89 PolarHBondContact O-NE2 3.5Å
84Q84.3Confident88.6Confident178 Ų17884.9 Ų84.983%0.83241%0.411SS*.  trans-82.8-0.9178.5-62.9-62.5-31.100112.7A86Q84-A86 PolarHBondContact O-N 3.13Å
85M88.4Confident89Confident127 Ų12780.6 Ų80.663%0.62639%0.394SS*.  trans-74.8115.4-179.8-62.1-178.7-15700110.9T83 F87 K88 Q89T83-M85 PolarHBondContact O-N 3.31Å; T83-M85 PolarHBondContact OG1-N 3.49Å; M85-F87 VanDerWaalsContact C-N 3.28Å; M85-F87 PolarHBondContact O-N 3.38Å; M85-K88 HydrophobicContact CB-CB 4.14Å; M85-K88 HydrophobicContact CB-CG 4.05Å; M85-K88 WeakPolarHBondContact O-CB 3.41Å; M85-K88 PolarHBondContact O-N 2.89Å; M85-K88 HydrophobicContact SD-CG 4.36Å; M85-Q89 PolarHBondContact O-N 3.47Å; M85-Q89 VanDerWaalsContact O-N 3.1Å
86A89.1Confident89.4Confident41 Ų4177 Ų7734%0.33938%0.377SS..Hα-helixtrans-47.8-46.1178.800000113.6Q84 K88 Q89 M90 W117Q84-A86 PolarHBondContact O-N 3.13Å; A86-K88 VanDerWaalsContact C-N 3.3Å; A86-K88 PolarHBondContact O-N 3.42Å; A86-Q89 WeakPolarHBondContact O-CB 3.47Å; A86-Q89 PolarHBondContact O-N 3.47Å; A86-M90 WeakPolarHBondContact O-CG 3.26Å; A86-M90 PolarHBondContact O-N 2.77Å; A86-W117 HydrophobicContact CB-CH2 4.03Å; A86-W117 HydrophobicContact CB-CZ2 3.41Å; A86-W117 VanDerWaalsContact CB-CZ2 3.41Å
87F90.6Very high89.7Confident149 Ų14975.1 Ų75.165%0.65436%0.364SS*.Hα-helixtrans-59.7-39.5178.4178-98.5000112.7M85 M90 E91M85-F87 VanDerWaalsContact C-N 3.28Å; M85-F87 PolarHBondContact O-N 3.38Å; F87-M90 PolarHBondContact O-N 3.27Å; F87-E91 WeakPolarHBondContact O-CB 3.5Å; F87-E91 PolarHBondContact O-N 3Å
88K90.8Very high90Very high86 Ų8680.3 Ų80.337%0.37439%0.388SS..Hα-helixtrans-72.5-32.6178.8-70.2-73.3167.9-160.50112.4T83 M85 A86 E91 K92T83-K88 HydrophobicContact CG2-CB 3.34Å; T83-K88 HydrophobicContact CG2-CG 4.02Å; M85-K88 HydrophobicContact CB-CB 4.14Å; M85-K88 HydrophobicContact CB-CG 4.05Å; M85-K88 WeakPolarHBondContact O-CB 3.41Å; M85-K88 PolarHBondContact O-N 2.89Å; M85-K88 HydrophobicContact SD-CG 4.36Å; A86-K88 VanDerWaalsContact C-N 3.3Å; A86-K88 PolarHBondContact O-N 3.42Å; K88-E91 WeakPolarHBondContact CD-OE2 3.35Å; K88-E91 IonicContact NZ-OE2 2.74Å; K88-E91 PolarHBondContact NZ-OE2 3.49Å; K88-E91 PolarHBondContact O-N 3.05Å; K88-K92 WeakPolarHBondContact O-CE 3.27Å; K88-K92 WeakPolarHBondContact O-CG 2.89Å; K88-K92 PolarHBondContact O-N 3Å
89Q92.1Very high90.6Very high16 Ų1672 Ų728%0.07535%0.353CS..Hα-helixtrans-64.8-47.3171.8-65.7178.3-26.200111.2D58 T83 M85 A86 E91 K92 I93D58-Q89 WeakPolarHBondContact OD1-CG 3.13Å; D58-Q89 PolarHBondContact OD1-NE2 2.71Å; D58-Q89 VanDerWaalsContact OD1-NE2 3.08Å; T83-Q89 PolarHBondContact O-NE2 3.5Å; M85-Q89 PolarHBondContact O-N 3.47Å; M85-Q89 VanDerWaalsContact O-N 3.1Å; A86-Q89 WeakPolarHBondContact O-CB 3.47Å; A86-Q89 PolarHBondContact O-N 3.47Å; Q89-E91 VanDerWaalsContact C-N 3.31Å; Q89-E91 PolarHBondContact O-N 2.77Å; Q89-K92 WeakPolarHBondContact O-CB 3.44Å; Q89-K92 PolarHBondContact O-N 2.81Å; Q89-I93 WeakPolarHBondContact O-CG1 3.31Å; Q89-I93 PolarHBondContact O-N 2.65Å
90M92.9Very high91.2Very high58 Ų5863.8 Ų63.829%0.28632%0.317SS..Hα-helixtrans-60-40.2175-69.4-178178.600112.5A86 F87 I93 S94 T113 W117A86-M90 WeakPolarHBondContact O-CG 3.26Å; A86-M90 PolarHBondContact O-N 2.77Å; F87-M90 PolarHBondContact O-N 3.27Å; M90-I93 PolarHBondContact O-N 2.98Å; M90-S94 PolarHBondContact O-N 3.43Å; M90-T113 HydrophobicContact CB-CG2 3.69Å; M90-T113 HydrophobicContact CG-CG2 3.79Å; M90-W117 HydrophobicContact CE-CD2 3.3Å; M90-W117 HydrophobicContact CE-CE3 3.1Å; M90-W117 HydrophobicContact CE-CG 3.93Å; M90-W117 HydrophobicContact CE-CH2 3.91Å; M90-W117 HydrophobicContact CE-CZ2 4.1Å; M90-W117 HydrophobicContact CE-CZ3 3.42Å; M90-W117 VanDerWaalsContact CE-CZ3 3.42Å; M90-W117 HydrophobicContact CG-CD2 4.29Å; M90-W117 HydrophobicContact CG-CG 4.07Å
91E93.6Very high91.7Very high70 Ų7066.3 Ų66.333%0.32733%0.328SS..Hα-helixtrans-61.8-44.8175.5-170.7-178.3176.400111.4F87 K88 Q89 I93 S94 Q95F87-E91 WeakPolarHBondContact O-CB 3.5Å; F87-E91 PolarHBondContact O-N 3Å; K88-E91 WeakPolarHBondContact CD-OE2 3.35Å; K88-E91 IonicContact NZ-OE2 2.74Å; K88-E91 PolarHBondContact NZ-OE2 3.49Å; K88-E91 PolarHBondContact O-N 3.05Å; Q89-E91 VanDerWaalsContact C-N 3.31Å; Q89-E91 PolarHBondContact O-N 2.77Å; E91-I93 PolarHBondContact O-N 3.01Å; E91-S94 WeakPolarHBondContact O-CB 3.35Å; E91-S94 PolarHBondContact O-N 3.27Å; E91-Q95 WeakPolarHBondContact O-CG 3.46Å; E91-Q95 PolarHBondContact O-N 2.82Å
92K94Very high92.2Very high13 Ų1365.7 Ų65.76%0.05733%0.33CS..Hα-helixtrans-59.3-46.5175.5-76.1179.9-78.8174.10111.8D58 T60 C63 L81 K88 Q89 S94 Q95 F96D58-K92 WeakPolarHBondContact O-CE 3.32Å; D58-K92 PolarHBondContact O-NZ 3.44Å; D58-K92 IonicContact OD1-NZ 3.83Å; D58-K92 PolarHBondContact OD1-NZ 3.19Å; D58-K92 IonicContact OD2-NZ 3.92Å; D58-K92 PolarHBondContact OD2-NZ 3Å; D58-K92 VanDerWaalsContact OD2-NZ 3.08Å; T60-K92 HydrophobicContact CG2-CD 4.01Å; C63-K92 PolarHBondContact SG-O 3.01Å; L81-K92 PolarHBondContact O-NZ 2.87Å; K88-K92 WeakPolarHBondContact O-CE 3.27Å; K88-K92 WeakPolarHBondContact O-CG 2.89Å; K88-K92 PolarHBondContact O-N 3Å; Q89-K92 WeakPolarHBondContact O-CB 3.44Å; Q89-K92 PolarHBondContact O-N 2.81Å; K92-S94 VanDerWaalsContact C-N 3.32Å; K92-S94 PolarHBondContact O-N 3.15Å; K92-Q95 PolarHBondContact O-N 3.47Å; K92-F96 PolarHBondContact O-N 2.92Å
93I95.3Very high92.8Very high0 Ų059.3 Ų59.30%030%0.3CS..Hα-helixtrans-59.3-45.9175.9-64.6165.8000110Q89 M90 E91 Q95 F96 L97 F111 T113 L116 W117Q89-I93 WeakPolarHBondContact O-CG1 3.31Å; Q89-I93 PolarHBondContact O-N 2.65Å; M90-I93 PolarHBondContact O-N 2.98Å; E91-I93 PolarHBondContact O-N 3.01Å; I93-Q95 VanDerWaalsContact C-N 3.32Å; I93-Q95 PolarHBondContact O-N 3.38Å; I93-F96 WeakPolarHBondContact O-CB 2.85Å; I93-F96 PolarHBondContact O-N 2.75Å; I93-F96 VanDerWaalsContact O-N 3.16Å; I93-L97 HydrophobicContact CG2-CD1 4.17Å; I93-L97 HydrophobicContact CG2-CG 4.38Å; I93-L97 WeakPolarHBondContact O-CG 3.46Å; I93-L97 PolarHBondContact O-N 3.08Å; I93-F111 HydrophobicContact CG2-CE2 3.7Å; I93-F111 HydrophobicContact CG2-CZ 3.98Å; I93-T113 HydrophobicContact CB-CG2 4.05Å; I93-T113 HydrophobicContact CD1-CG2 4.24Å; I93-T113 HydrophobicContact CG2-CG2 4.04Å; I93-L116 HydrophobicContact CD1-CD2 3.88Å; I93-L116 HydrophobicContact CD1-CG 4.23Å; I93-L116 HydrophobicContact CG1-CD2 4.09Å; I93-L116 HydrophobicContact CG2-CD2 4.36Å; I93-W117 HydrophobicContact CD1-CB 4.25Å
94S95Very high93.1Very high46 Ų4659.7 Ų59.732%0.32231%0.31SS..Hα-helixtrans-60.2-39.4178-170.70000113M90 E91 K92 L97 Q98M90-S94 PolarHBondContact O-N 3.43Å; E91-S94 WeakPolarHBondContact O-CB 3.35Å; E91-S94 PolarHBondContact O-N 3.27Å; K92-S94 VanDerWaalsContact C-N 3.32Å; K92-S94 PolarHBondContact O-N 3.15Å; S94-L97 PolarHBondContact O-N 3.46Å; S94-Q98 WeakPolarHBondContact O-CG 3.37Å; S94-Q98 PolarHBondContact O-N 3.46Å; S94-Q98 VanDerWaalsContact O-N 3.07Å
95Q95.4Very high93.6Very high65 Ų6551.5 Ų51.530%0.30427%0.272SS..Hα-helixtrans-64.7-40.2176.1-71.1173.98.600111.6I77 E91 K92 I93 A99I77-Q95 HydrophobicContact CD1-CB 3.92Å; I77-Q95 HydrophobicContact CG1-CB 4.28Å; E91-Q95 WeakPolarHBondContact O-CG 3.46Å; E91-Q95 PolarHBondContact O-N 2.82Å; K92-Q95 PolarHBondContact O-N 3.47Å; I93-Q95 VanDerWaalsContact C-N 3.32Å; I93-Q95 PolarHBondContact O-N 3.38Å; Q95-A99 WeakPolarHBondContact O-CB 3.42Å; Q95-A99 PolarHBondContact O-N 2.91Å
96F96.3Very high93.8Very high0 Ų049.6 Ų49.60%026%0.264CS..Hα-helixtrans-60.2-46.4172.6163.2-97.8000111.8L62 I66 K92 I93 Q98 A99 A100 F111 L129 L132L62-F96 HydrophobicContact CB-CB 4.05Å; L62-F96 HydrophobicContact CB-CD1 4.1Å; L62-F96 HydrophobicContact CB-CD2 3.78Å; L62-F96 HydrophobicContact CB-CE2 4.25Å; L62-F96 HydrophobicContact CB-CG 3.69Å; L62-F96 HydrophobicContact CD1-CD1 4.02Å; L62-F96 HydrophobicContact CD1-CE1 4.34Å; L62-F96 HydrophobicContact CD1-CG 4.42Å; L62-F96 HydrophobicContact CD2-CE1 4.25Å; L62-F96 HydrophobicContact CD2-CE2 4.4Å; L62-F96 HydrophobicContact CD2-CZ 4.16Å; L62-F96 HydrophobicContact CG-CD1 4.47Å; L62-F96 WeakPolarHBondContact O-CD2 3.12Å; I66-F96 HydrophobicContact CB-CD2 3.85Å; I66-F96 HydrophobicContact CB-CE2 4.08Å; I66-F96 HydrophobicContact CG2-CD2 3.9Å; K92-F96 PolarHBondContact O-N 2.92Å; I93-F96 WeakPolarHBondContact O-CB 2.85Å; I93-F96 PolarHBondContact O-N 2.75Å; I93-F96 VanDerWaalsContact O-N 3.16Å; F96-Q98 PolarHBondContact O-N 3.08Å; F96-A99 PolarHBondContact O-N 2.83Å; F96-A100 HydrophobicContact CZ-CB 4.41Å; F96-A100 WeakPolarHBondContact O-CB 3.45Å; F96-A100 PolarHBondContact O-N 3.3Å; F96-F111 HydrophobicContact CD1-CE1 4.42Å; F96-F111 HydrophobicContact CD1-CZ 4.4Å; F96-F111 AromaticContact CE1-CE1 3.9Å; F96-F111 HydrophobicContact CE1-CE1 3.9Å; F96-F111 HydrophobicContact CE1-CZ 4.3Å; F96-L129 HydrophobicContact CZ-CD2 4.05Å; F96-L132 HydrophobicContact CE2-CD2 3.84Å; F96-L132 HydrophobicContact CZ-CD2 3.98Å
97L96.4Very high93.9Very high17 Ų1751.7 Ų51.79%0.08927%0.273CS..Hα-helixtrans-60.7-44.9-179.2-63.7172.8000111.7I93 S94 A99 A100 E101 I110 F111I93-L97 HydrophobicContact CG2-CD1 4.17Å; I93-L97 HydrophobicContact CG2-CG 4.38Å; I93-L97 WeakPolarHBondContact O-CG 3.46Å; I93-L97 PolarHBondContact O-N 3.08Å; S94-L97 PolarHBondContact O-N 3.46Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.21Å; L97-A100 PolarHBondContact O-N 3.1Å; L97-E101 PolarHBondContact O-N 2.95Å; L97-I110 HydrophobicContact CB-CG2 4.12Å; L97-I110 HydrophobicContact CD2-CG2 3.71Å; L97-I110 HydrophobicContact CG-CG2 4.37Å; L97-F111 HydrophobicContact CD1-CE2 4.35Å; L97-F111 VanDerWaalsContact CD1-O 3.28Å; L97-F111 WeakPolarHBondContact CD1-O 3.39Å; L97-F111 HydrophobicContact CD2-CD1 3.77Å; L97-F111 HydrophobicContact CD2-CD2 4.06Å; L97-F111 HydrophobicContact CD2-CE1 3.59Å; L97-F111 HydrophobicContact CD2-CE2 3.87Å; L97-F111 HydrophobicContact CD2-CG 4Å; L97-F111 HydrophobicContact CD2-CZ 3.63Å; L97-F111 WeakPolarHBondContact CD2-O 3.21Å; L97-F111 HydrophobicContact CG-CE2 4.49Å; L97-F111 HydrophobicContact CG-CZ 4.45Å
98Q95.8Very high94Very high116 Ų11650.1 Ų50.154%0.54228%0.275SS..Hα-helixtrans-61.3-43.6175.1-71.8174.9-10.700111.7S94 F96 A100 E101 V102S94-Q98 WeakPolarHBondContact O-CG 3.37Å; S94-Q98 PolarHBondContact O-N 3.46Å; S94-Q98 VanDerWaalsContact O-N 3.07Å; F96-Q98 PolarHBondContact O-N 3.08Å; Q98-A100 VanDerWaalsContact C-N 3.35Å; Q98-E101 PolarHBondContact O-N 3.3Å; Q98-V102 WeakPolarHBondContact O-CG2 3.33Å; Q98-V102 PolarHBondContact O-N 2.86Å; Q98-V102 VanDerWaalsContact O-N 3.07Å
99A95.4Very high94.1Very high8 Ų848.3 Ų48.37%0.06627%0.27CS..Hα-helixtrans-66.4-36.6177.600000112.2I66 P76 Q95 F96 L97 V102 Y103I66-A99 HydrophobicContact CG1-CB 3.75Å; I66-A99 HydrophobicContact CG2-CB 4.27Å; P76-A99 HydrophobicContact CB-CB 3.84Å; P76-A99 HydrophobicContact CG-CB 3.83Å; Q95-A99 WeakPolarHBondContact O-CB 3.42Å; Q95-A99 PolarHBondContact O-N 2.91Å; F96-A99 PolarHBondContact O-N 2.83Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.21Å; A99-V102 PolarHBondContact O-N 2.74Å; A99-Y103 VanDerWaalsContact O-CB 3.28Å; A99-Y103 WeakPolarHBondContact O-CB 3.43Å; A99-Y103 PolarHBondContact O-N 3.1Å
100A95.5Very high94.3Very high0 Ų049.2 Ų49.20%027%0.274CS..Hα-helixtrans-66.8-40.1176.200000112.1F96 L97 Q98 Y103 G104 V105F96-A100 HydrophobicContact CZ-CB 4.41Å; F96-A100 WeakPolarHBondContact O-CB 3.45Å; F96-A100 PolarHBondContact O-N 3.3Å; L97-A100 PolarHBondContact O-N 3.1Å; Q98-A100 VanDerWaalsContact C-N 3.35Å; A100-Y103 PolarHBondContact O-N 2.92Å; A100-G104 PolarHBondContact O-N 3.2Å; A100-V105 HydrophobicContact CB-CB 4.49Å; A100-V105 HydrophobicContact CB-CG2 4.18Å; A100-V105 WeakPolarHBondContact O-CB 3.45Å; A100-V105 WeakPolarHBondContact O-CG2 3.5Å; A100-V105 PolarHBondContact O-N 2.6Å
101E95.5Very high94.5Very high101 Ų10146.6 Ų46.647%0.47226%0.262SS..Hα-helixtrans-59.5-51.7172.6-171.4179.4-177.300111.1L97 Q98 Y103 G104 T107 I110L97-E101 PolarHBondContact O-N 2.95Å; Q98-E101 PolarHBondContact O-N 3.3Å; E101-Y103 PolarHBondContact O-N 3.17Å; E101-G104 WeakPolarHBondContact O-CA 3.49Å; E101-G104 PolarHBondContact O-N 3.3Å; E101-T107 HydrophobicContact CG-CG2 3.98Å; E101-T107 WeakPolarHBondContact OE1-CG2 3.38Å; E101-I110 HydrophobicContact CB-CD1 3.55Å; E101-I110 HydrophobicContact CG-CD1 4.02Å
102V94.6Very high94.5Very high118 Ų11849.4 Ų49.472%0.71528%0.275SS*.Hα-helixtrans-62-32.4177.1173.50000111.7Q98 A99 G104Q98-V102 WeakPolarHBondContact O-CG2 3.33Å; Q98-V102 PolarHBondContact O-N 2.86Å; Q98-V102 VanDerWaalsContact O-N 3.07Å; A99-V102 PolarHBondContact O-N 2.74Å; V102-G104 PolarHBondContact O-N 3.03Å
103Y92.9Very high94.6Very high4 Ų450.3 Ų50.32%0.01628%0.281CS..Hα-helixtrans-68.1-19.5174.6-165.7-101000112.4I66 L69 Y70 A99 A100 E101 L132 V135 A136 K139I66-Y103 HydrophobicContact CD1-CD2 4.45Å; I66-Y103 HydrophobicContact CD1-CG 4.2Å; L69-Y103 HydrophobicContact CB-CE2 4.01Å; L69-Y103 HydrophobicContact CD1-CE1 4.22Å; Y70-Y103 HydrophobicContact CD2-CD2 4.41Å; Y70-Y103 AromaticContact CE2-CD2 3.56Å; Y70-Y103 HydrophobicContact CE2-CD2 3.56Å; Y70-Y103 HydrophobicContact CE2-CE2 4.1Å; Y70-Y103 AromaticContact CZ-CD2 3.67Å; A99-Y103 VanDerWaalsContact O-CB 3.28Å; A99-Y103 WeakPolarHBondContact O-CB 3.43Å; A99-Y103 PolarHBondContact O-N 3.1Å; A100-Y103 PolarHBondContact O-N 2.92Å; E101-Y103 PolarHBondContact O-N 3.17Å; Y103-L132 HydrophobicContact CD1-CD1 3.54Å; Y103-L132 HydrophobicContact CE1-CD1 4.09Å; Y103-L132 HydrophobicContact CG-CD1 4.22Å; Y103-V135 HydrophobicContact CD1-CB 4.41Å; Y103-V135 HydrophobicContact CD1-CG1 3.71Å; Y103-V135 HydrophobicContact CE1-CB 4.4Å; Y103-V135 HydrophobicContact CE1-CG1 3.8Å; Y103-A136 HydrophobicContact CE1-CB 3.92Å; Y103-A136 WeakPolarHBondContact OH-CA 2.99Å; Y103-K139 VanDerWaalsContact CD2-NZ 3.26Å; Y103-K139 HydrophobicContact CE1-CD 4.16Å; Y103-K139 HydrophobicContact CE2-CD 4.13Å; Y103-K139 WeakPolarHBondContact O-CE 3.37Å; Y103-K139 PolarHBondContact O-NZ 3.33Å
104G91.8Very high94.4Very high41 Ų4152.5 Ų52.542%0.42329%0.294SS..THydrogen-bonded Turntrans113.115.8174.700000114.4A100 E101 V102A100-G104 PolarHBondContact O-N 3.2Å; E101-G104 WeakPolarHBondContact O-CA 3.49Å; E101-G104 PolarHBondContact O-N 3.3Å; V102-G104 PolarHBondContact O-N 3.03Å
105V94.1Very high94.4Very high5 Ų551.3 Ų51.33%0.0328%0.284CS..  trans-68.6134.5166.2-178.40000108.6A100 D109 I110 T128 A131 L132A100-V105 HydrophobicContact CB-CB 4.49Å; A100-V105 HydrophobicContact CB-CG2 4.18Å; A100-V105 WeakPolarHBondContact O-CB 3.45Å; A100-V105 WeakPolarHBondContact O-CG2 3.5Å; A100-V105 PolarHBondContact O-N 2.6Å; V105-D109 HydrophobicContact CG1-CB 4.21Å; V105-I110 HydrophobicContact CB-CD1 4.4Å; V105-I110 HydrophobicContact CB-CG1 4.3Å; V105-I110 HydrophobicContact CG1-CD1 4.36Å; V105-I110 HydrophobicContact CG1-CG1 3.73Å; V105-T128 HydrophobicContact CG1-CG2 4.4Å; V105-A131 HydrophobicContact CG1-CB 3.93Å; V105-L132 HydrophobicContact CG2-CB 3.92Å; V105-L132 HydrophobicContact CG2-CD1 3.83Å
106I92.6Very high94.3Very high88 Ų8848.2 Ų48.245%0.45127%0.27SS..  trans-70134.2-180-54.8172.2000107.9T108 D109 I110I106-T108 HydrophobicContact CG2-CG2 4.4Å; I106-T108 VanDerWaalsContact CG2-OG1 3.28Å; I106-T108 WeakPolarHBondContact CG2-OG1 3.42Å; I106-T108 PolarHBondContact O-N 3.04Å; I106-T108 VanDerWaalsContact O-N 3.08Å; I106-D109 WeakPolarHBondContact O-CA 3.41Å; I106-D109 WeakPolarHBondContact O-CB 3.42Å; I106-D109 PolarHBondContact O-N 3.15Å; I106-I110 PolarHBondContact O-N 2.83Å
107T91.9Very high94.2Very high85 Ų8550.6 Ų50.652%0.52128%0.279SS..G310 helixtrans-55.5-29.1-177.552.20000114E101 D109 I110E101-T107 HydrophobicContact CG-CG2 3.98Å; E101-T107 WeakPolarHBondContact OE1-CG2 3.38Å; T107-D109 PolarHBondContact O-N 3.5Å; T107-I110 PolarHBondContact O-N 2.92Å
108T92.4Very high93.9Very high115 Ų11553.2 Ų53.271%0.70629%0.291SS*.G310 helixtrans-65.6-26.8174.757.90000113.5I106I106-T108 HydrophobicContact CG2-CG2 4.4Å; I106-T108 VanDerWaalsContact CG2-OG1 3.28Å; I106-T108 WeakPolarHBondContact CG2-OG1 3.42Å; I106-T108 PolarHBondContact O-N 3.04Å; I106-T108 VanDerWaalsContact O-N 3.08Å
109D93.1Very high93.7Very high49 Ų4948 Ų4826%0.26227%0.268SS..G310 helixtrans-91.3-6.6179.2-64.6-22.9000111.8V105 I106 T107 T128 A131V105-D109 HydrophobicContact CG1-CB 4.21Å; I106-D109 WeakPolarHBondContact O-CA 3.41Å; I106-D109 WeakPolarHBondContact O-CB 3.42Å; I106-D109 PolarHBondContact O-N 3.15Å; T107-D109 PolarHBondContact O-N 3.5Å; D109-T128 VanDerWaalsContact O-CA 3.3Å; D109-T128 WeakPolarHBondContact O-CA 3.38Å; D109-T128 VanDerWaalsContact O-CB 3.31Å; D109-T128 WeakPolarHBondContact O-CB 3.48Å; D109-T128 PolarHBondContact O-N 3.21Å; D109-T128 PolarHBondContact O-OG1 3.02Å; D109-A131 HydrophobicContact CB-CB 4.02Å
110I95.7Very high93.4Very high34 Ų3449.9 Ų49.917%0.17428%0.275CS..PPolyproline II helixtrans-85.1123.3-176.9-63.4-177.9000110.1L97 E101 V105 I106 T107L97-I110 HydrophobicContact CB-CG2 4.12Å; L97-I110 HydrophobicContact CD2-CG2 3.71Å; L97-I110 HydrophobicContact CG-CG2 4.37Å; E101-I110 HydrophobicContact CB-CD1 3.55Å; E101-I110 HydrophobicContact CG-CD1 4.02Å; V105-I110 HydrophobicContact CB-CD1 4.4Å; V105-I110 HydrophobicContact CB-CG1 4.3Å; V105-I110 HydrophobicContact CG1-CD1 4.36Å; V105-I110 HydrophobicContact CG1-CG1 3.73Å; I106-I110 PolarHBondContact O-N 2.83Å; T107-I110 PolarHBondContact O-N 2.92Å
111F96.5Very high93.3Very high4 Ų451 Ų512%0.01828%0.28CS..PPolyproline II helixtrans-74163.6176.174.7-98.4000112.3L62 I93 F96 L97 D115 L116 A124 V125 T128L62-F111 HydrophobicContact CD1-CZ 4.16Å; I93-F111 HydrophobicContact CG2-CE2 3.7Å; I93-F111 HydrophobicContact CG2-CZ 3.98Å; F96-F111 HydrophobicContact CD1-CE1 4.42Å; F96-F111 HydrophobicContact CD1-CZ 4.4Å; F96-F111 AromaticContact CE1-CE1 3.9Å; F96-F111 HydrophobicContact CE1-CE1 3.9Å; F96-F111 HydrophobicContact CE1-CZ 4.3Å; L97-F111 HydrophobicContact CD1-CE2 4.35Å; L97-F111 VanDerWaalsContact CD1-O 3.28Å; L97-F111 WeakPolarHBondContact CD1-O 3.39Å; L97-F111 HydrophobicContact CD2-CD1 3.77Å; L97-F111 HydrophobicContact CD2-CD2 4.06Å; L97-F111 HydrophobicContact CD2-CE1 3.59Å; L97-F111 HydrophobicContact CD2-CE2 3.87Å; L97-F111 HydrophobicContact CD2-CG 4Å; L97-F111 HydrophobicContact CD2-CZ 3.63Å; L97-F111 WeakPolarHBondContact CD2-O 3.21Å; L97-F111 HydrophobicContact CG-CE2 4.49Å; L97-F111 HydrophobicContact CG-CZ 4.45Å; F111-D115 HydrophobicContact CB-CB 4.34Å; F111-D115 HydrophobicContact CD2-CB 4.36Å; F111-L116 HydrophobicContact CD2-CB 4.2Å; F111-L116 HydrophobicContact CE2-CB 3.59Å; F111-L116 HydrophobicContact CE2-CD2 4.04Å; F111-L116 HydrophobicContact CE2-CG 4.49Å; F111-L116 HydrophobicContact CZ-CB 4.2Å; F111-L116 HydrophobicContact CZ-CD2 3.87Å; F111-A124 HydrophobicContact CB-CB 3.78Å; F111-V125 HydrophobicContact CB-CG2 4.34Å; F111-V125 HydrophobicContact CD1-CB 4.25Å; F111-V125 HydrophobicContact CD1-CG1 4.33Å; F111-V125 HydrophobicContact CD1-CG2 4.06Å; F111-V125 HydrophobicContact CD2-CG2 3.97Å; F111-V125 HydrophobicContact CE1-CB 4.47Å; F111-V125 HydrophobicContact CE1-CG1 4.08Å; F111-V125 HydrophobicContact CE1-CG2 4.33Å; F111-V125 HydrophobicContact CE2-CG2 4.27Å; F111-V125 HydrophobicContact CG-CG2 3.9Å; F111-V125 HydrophobicContact CZ-CG1 4.49Å; F111-V125 HydrophobicContact CZ-CG2 4.44Å; F111-T128 HydrophobicContact CD1-CG2 3.97Å; F111-T128 VanDerWaalsContact CD1-OG1 3.3Å; F111-T128 WeakPolarHBondContact CD1-OG1 3.49Å; F111-T128 HydrophobicContact CE1-CG2 4.36Å; F111-T128 PolarHBondContact N-OG1 3.37Å
112Q95.1Very high93.2Very high129 Ų12946.2 Ų46.260%0.60326%0.258SS*.PPolyproline II helixtrans-96.7149.5174-55.1-169.2-60.900111.2V114 D115Q112-V114 HydrophobicContact CB-CG2 4.12Å; Q112-V114 PolarHBondContact O-N 3.47Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.39Å; Q112-D115 PolarHBondContact N-OD2 3.47Å; Q112-D115 WeakPolarHBondContact O-CA 3.3Å; Q112-D115 VanDerWaalsContact O-CB 3.26Å; Q112-D115 WeakPolarHBondContact O-CB 3.31Å; Q112-D115 PolarHBondContact O-N 3.25Å
113T94.8Very high93.2Very high31 Ų3140.8 Ų40.819%0.1923%0.226CC..Hα-helixtrans-49.4-34.5-178.8-550000114.6M90 I93 D115 W117M90-T113 HydrophobicContact CB-CG2 3.69Å; M90-T113 HydrophobicContact CG-CG2 3.79Å; I93-T113 HydrophobicContact CB-CG2 4.05Å; I93-T113 HydrophobicContact CD1-CG2 4.24Å; I93-T113 HydrophobicContact CG2-CG2 4.04Å; T113-D115 VanDerWaalsContact C-N 3.32Å; T113-D115 PolarHBondContact O-N 2.96Å; T113-W117 VanDerWaalsContact O-CB 3.27Å; T113-W117 WeakPolarHBondContact O-CB 3.28Å; T113-W117 PolarHBondContact O-N 2.86Å
114V92.6Very high93.3Very high46 Ų4641 Ų4128%0.27923%0.228SC..Hα-helixtrans-68.8-26.4177.1-63.40000113.7Q112 L116 E118 G119 K120Q112-V114 HydrophobicContact CB-CG2 4.12Å; Q112-V114 PolarHBondContact O-N 3.47Å; V114-L116 VanDerWaalsContact C-N 3.31Å; V114-L116 PolarHBondContact O-N 3.31Å; V114-E118 WeakPolarHBondContact O-CA 3.24Å; V114-E118 WeakPolarHBondContact O-CB 3.3Å; V114-E118 PolarHBondContact O-N 3.03Å; V114-G119 PolarHBondContact O-N 3.21Å; V114-K120 HydrophobicContact CB-CD 4.42Å; V114-K120 HydrophobicContact CG2-CD 4.28Å
115D93.9Very high93.5Very high21 Ų2139 Ų3911%0.11221%0.208CC..Hα-helixtrans-67.1-37.1-179.7-60.4-30.1000111.2F111 Q112 T113 G119 K120 D121F111-D115 HydrophobicContact CB-CB 4.34Å; F111-D115 HydrophobicContact CD2-CB 4.36Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.39Å; Q112-D115 PolarHBondContact N-OD2 3.47Å; Q112-D115 WeakPolarHBondContact O-CA 3.3Å; Q112-D115 VanDerWaalsContact O-CB 3.26Å; Q112-D115 WeakPolarHBondContact O-CB 3.31Å; Q112-D115 PolarHBondContact O-N 3.25Å; T113-D115 VanDerWaalsContact C-N 3.32Å; T113-D115 PolarHBondContact O-N 2.96Å; D115-G119 CarbonylContact O-C 3.24Å; D115-G119 VanDerWaalsContact O-C 3.24Å; D115-G119 WeakPolarHBondContact O-CA 3.46Å; D115-G119 PolarHBondContact O-N 3.4Å; D115-K120 PolarHBondContact O-N 2.98Å; D115-K120 VanDerWaalsContact O-N 3.11Å; D115-D121 HydrophobicContact CB-CB 4.15Å
116L94.1Very high93.5Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-86.8-50.6174.3176.657.6000112.2Q53 L56 L62 I93 F111 V114 G119 M122 V125Q53-L116 HydrophobicContact CG-CD1 4.34Å; Q53-L116 VanDerWaalsContact CG-O 3.25Å; Q53-L116 WeakPolarHBondContact CG-O 3.37Å; Q53-L116 PolarHBondContact NE2-O 3.34Å; Q53-L116 VanDerWaalsContact NE2-O 3.1Å; L56-L116 HydrophobicContact CB-CD1 3.88Å; L56-L116 HydrophobicContact CB-CD2 4.15Å; L62-L116 HydrophobicContact CD1-CD2 3.48Å; L62-L116 VanDerWaalsContact CD1-CD2 3.48Å; I93-L116 HydrophobicContact CD1-CD2 3.88Å; I93-L116 HydrophobicContact CD1-CG 4.23Å; I93-L116 HydrophobicContact CG1-CD2 4.09Å; I93-L116 HydrophobicContact CG2-CD2 4.36Å; F111-L116 HydrophobicContact CD2-CB 4.2Å; F111-L116 HydrophobicContact CE2-CB 3.59Å; F111-L116 HydrophobicContact CE2-CD2 4.04Å; F111-L116 HydrophobicContact CE2-CG 4.49Å; F111-L116 HydrophobicContact CZ-CB 4.2Å; F111-L116 HydrophobicContact CZ-CD2 3.87Å; V114-L116 VanDerWaalsContact C-N 3.31Å; V114-L116 PolarHBondContact O-N 3.31Å; L116-G119 PolarHBondContact O-N 2.89Å; L116-M122 HydrophobicContact CD1-CE 4.07Å; L116-M122 HydrophobicContact CD1-SD 4.09Å; L116-V125 HydrophobicContact CB-CG2 3.89Å; L116-V125 HydrophobicContact CD1-CG1 4.41Å; L116-V125 HydrophobicContact CD1-CG2 4.34Å
117W93.6Very high93.7Very high51 Ų5139.5 Ų39.519%0.19320%0.204CC..Hα-helixtrans-71.7-40.9-170.9-165.288.3000112.5Q53 M57 A86 M90 I93 T113Q53-W117 PolarHBondContact NE2-O 3.46Å; M57-W117 HydrophobicContact CG-CG 4.24Å; A86-W117 HydrophobicContact CB-CH2 4.03Å; A86-W117 HydrophobicContact CB-CZ2 3.41Å; A86-W117 VanDerWaalsContact CB-CZ2 3.41Å; M90-W117 HydrophobicContact CE-CD2 3.3Å; M90-W117 HydrophobicContact CE-CE3 3.1Å; M90-W117 HydrophobicContact CE-CG 3.93Å; M90-W117 HydrophobicContact CE-CH2 3.91Å; M90-W117 HydrophobicContact CE-CZ2 4.1Å; M90-W117 HydrophobicContact CE-CZ3 3.42Å; M90-W117 VanDerWaalsContact CE-CZ3 3.42Å; M90-W117 HydrophobicContact CG-CD2 4.29Å; M90-W117 HydrophobicContact CG-CG 4.07Å; I93-W117 HydrophobicContact CD1-CB 4.25Å; T113-W117 VanDerWaalsContact O-CB 3.27Å; T113-W117 WeakPolarHBondContact O-CB 3.28Å; T113-W117 PolarHBondContact O-N 2.86Å
118E91Very high93.9Very high72 Ų7235.5 Ų35.534%0.33618%0.179SC..SBendtrans-92.8-6.9172.6-56.8-172.7151.500112.6V114 K120V114-E118 WeakPolarHBondContact O-CA 3.24Å; V114-E118 WeakPolarHBondContact O-CB 3.3Å; V114-E118 PolarHBondContact O-N 3.03Å; E118-K120 HydrophobicContact CB-CG 4.32Å; E118-K120 WeakPolarHBondContact OE2-CE 3.49Å; E118-K120 IonicContact OE2-NZ 2.85Å; E118-K120 PolarHBondContact OE2-NZ 3.44Å
119G90.2Very high94.1Very high5 Ų530 Ų305%0.05215%0.145CC..  trans74.221.6177.100000114.8R49 Q53 V114 D115 L116R49-G119 PolarHBondContact NH2-O 3.1Å; Q53-G119 VanDerWaalsContact NE2-CA 3.31Å; Q53-G119 VanDerWaalsContact NE2-N 3.19Å; V114-G119 PolarHBondContact O-N 3.21Å; D115-G119 CarbonylContact O-C 3.24Å; D115-G119 VanDerWaalsContact O-C 3.24Å; D115-G119 WeakPolarHBondContact O-CA 3.46Å; D115-G119 PolarHBondContact O-N 3.4Å; L116-G119 PolarHBondContact O-N 2.89Å
120K90Very high94.2Very high49 Ų4929 Ų2921%0.21314%0.139CC..THydrogen-bonded Turntrans-64.3-46.5-175-70.4-179.6-177.7150.90113.8Q15 V114 D115 E118Q15-K120 PolarHBondContact NE2-O 3.07Å; V114-K120 HydrophobicContact CB-CD 4.42Å; V114-K120 HydrophobicContact CG2-CD 4.28Å; D115-K120 PolarHBondContact O-N 2.98Å; D115-K120 VanDerWaalsContact O-N 3.11Å; E118-K120 HydrophobicContact CB-CG 4.32Å; E118-K120 WeakPolarHBondContact OE2-CE 3.49Å; E118-K120 IonicContact OE2-NZ 2.85Å; E118-K120 PolarHBondContact OE2-NZ 3.44Å
121D93.2Very high94.1Very high22 Ų2227.7 Ų27.712%0.11813%0.134CC..THydrogen-bonded Turntrans-135.479.9179.6-171.4-7.4000110.2I18 D115 A123 A124 V125 R127I18-D121 HydrophobicContact CG2-CB 3.93Å; I18-D121 VanDerWaalsContact CG2-CG 3.43Å; I18-D121 VanDerWaalsContact CG2-OD1 3.25Å; I18-D121 WeakPolarHBondContact CG2-OD1 3.43Å; D115-D121 HydrophobicContact CB-CB 4.15Å; D121-A123 PolarHBondContact O-N 2.93Å; D121-A123 WeakPolarHBondContact OD1-CA 3.44Å; D121-A123 WeakPolarHBondContact OD1-CB 3.29Å; D121-A123 PolarHBondContact OD1-N 2.85Å; D121-A124 HydrophobicContact CB-CB 4.03Å; D121-A124 VanDerWaalsContact CG-CB 3.49Å; D121-A124 WeakPolarHBondContact O-CB 3.48Å; D121-A124 PolarHBondContact O-N 3.5Å; D121-A124 PolarHBondContact OD1-N 3.24Å; D121-A124 WeakPolarHBondContact OD2-CB 3.4Å; D121-V125 PolarHBondContact O-N 3.35Å; D121-R127 IonicContact OD2-NH2 2.9Å; D121-R127 PolarHBondContact OD2-NH2 3.28Å
122M93.8Very high94.1Very high2 Ų227.5 Ų27.51%0.0113%0.133CC..Hα-helixtrans-67.5-21174.7-70.5-57.6-60.400112.7Y22 R49 F52 Q53 L116 V125 Q126Y22-M122 HydrophobicContact CD2-CB 3.77Å; Y22-M122 HydrophobicContact CE2-CB 3.65Å; R49-M122 HydrophobicContact CG-CB 4.05Å; R49-M122 HydrophobicContact CG-CG 3.88Å; F52-M122 HydrophobicContact CD1-CE 3.69Å; F52-M122 HydrophobicContact CE1-CE 4.19Å; Q53-M122 HydrophobicContact CB-CE 3.83Å; Q53-M122 HydrophobicContact CB-SD 3.89Å; Q53-M122 HydrophobicContact CG-CE 4.32Å; Q53-M122 HydrophobicContact CG-SD 3.82Å; L116-M122 HydrophobicContact CD1-CE 4.07Å; L116-M122 HydrophobicContact CD1-SD 4.09Å; M122-V125 HydrophobicContact CE-CB 4.41Å; M122-V125 HydrophobicContact CE-CG2 4.46Å; M122-V125 PolarHBondContact O-N 3.04Å; M122-V125 HydrophobicContact SD-CG2 4.19Å; M122-Q126 PolarHBondContact O-N 2.52Å; M122-Q126 VanDerWaalsContact O-N 3.11Å
123A94.2Very high94Very high4 Ų421.3 Ų21.33%0.03310%0.104CC..Hα-helixtrans-70.8-33.6174.200000111.1K21 D121 V125 Q126 R127K21-A123 HydrophobicContact CB-CB 3.83Å; D121-A123 PolarHBondContact O-N 2.93Å; D121-A123 WeakPolarHBondContact OD1-CA 3.44Å; D121-A123 WeakPolarHBondContact OD1-CB 3.29Å; D121-A123 PolarHBondContact OD1-N 2.85Å; A123-V125 VanDerWaalsContact C-N 3.34Å; A123-Q126 PolarHBondContact O-N 3.38Å; A123-R127 WeakPolarHBondContact O-CG 3.37Å; A123-R127 PolarHBondContact O-N 3.08Å
124A94.6Very high94Very high8 Ų819.9 Ų19.97%0.06610%0.095CC..Hα-helixtrans-61-43.417000000111.6F111 D121 Q126 R127 T128F111-A124 HydrophobicContact CB-CB 3.78Å; D121-A124 HydrophobicContact CB-CB 4.03Å; D121-A124 VanDerWaalsContact CG-CB 3.49Å; D121-A124 WeakPolarHBondContact O-CB 3.48Å; D121-A124 PolarHBondContact O-N 3.5Å; D121-A124 PolarHBondContact OD1-N 3.24Å; D121-A124 WeakPolarHBondContact OD2-CB 3.4Å; A124-Q126 VanDerWaalsContact C-N 3.34Å; A124-Q126 PolarHBondContact O-N 3.3Å; A124-R127 WeakPolarHBondContact O-CB 3.22Å; A124-R127 PolarHBondContact O-N 3.13Å; A124-R127 VanDerWaalsContact O-N 3.13Å; A124-T128 PolarHBondContact O-N 3.25Å; A124-T128 PolarHBondContact O-OG1 3.06Å; A124-T128 VanDerWaalsContact O-OG1 3.05Å
125V95.8Very high94Very high0 Ų018.3 Ų18.30%09%0.085CC..Hα-helixtrans-58.6-46.1176.1-177.30000111L56 F111 L116 D121 M122 A123 R127 T128 L129L56-V125 HydrophobicContact CD1-CG1 4.34Å; F111-V125 HydrophobicContact CB-CG2 4.34Å; F111-V125 HydrophobicContact CD1-CB 4.25Å; F111-V125 HydrophobicContact CD1-CG1 4.33Å; F111-V125 HydrophobicContact CD1-CG2 4.06Å; F111-V125 HydrophobicContact CD2-CG2 3.97Å; F111-V125 HydrophobicContact CE1-CB 4.47Å; F111-V125 HydrophobicContact CE1-CG1 4.08Å; F111-V125 HydrophobicContact CE1-CG2 4.33Å; F111-V125 HydrophobicContact CE2-CG2 4.27Å; F111-V125 HydrophobicContact CG-CG2 3.9Å; F111-V125 HydrophobicContact CZ-CG1 4.49Å; F111-V125 HydrophobicContact CZ-CG2 4.44Å; L116-V125 HydrophobicContact CB-CG2 3.89Å; L116-V125 HydrophobicContact CD1-CG1 4.41Å; L116-V125 HydrophobicContact CD1-CG2 4.34Å; D121-V125 PolarHBondContact O-N 3.35Å; M122-V125 HydrophobicContact CE-CB 4.41Å; M122-V125 HydrophobicContact CE-CG2 4.46Å; M122-V125 PolarHBondContact O-N 3.04Å; M122-V125 HydrophobicContact SD-CG2 4.19Å; A123-V125 VanDerWaalsContact C-N 3.34Å; V125-R127 PolarHBondContact O-N 2.75Å; V125-T128 PolarHBondContact O-N 3.33Å; V125-L129 HydrophobicContact CG1-CD1 4.16Å; V125-L129 WeakPolarHBondContact O-CG 3.28Å; V125-L129 PolarHBondContact O-N 3.23Å; V125-L129 VanDerWaalsContact O-N 3.08Å
126Q95.4Very high93.9Very high4 Ų417.3 Ų17.32%0.0198%0.08CC..Hα-helixtrans-59.7-44.6174.7-68.3-174.2-42.700111.8Y22 N23 L30 M122 A123 A124 T128 L129 M130Y22-Q126 HydrophobicContact CD2-CG 4.36Å; Y22-Q126 HydrophobicContact CE2-CG 3.9Å; N23-Q126 VanDerWaalsContact N-OE1 3.15Å; N23-Q126 PolarHBondContact O-NE2 3.41Å; L30-Q126 HydrophobicContact CD1-CB 3.97Å; L30-Q126 HydrophobicContact CD1-CG 3.98Å; M122-Q126 PolarHBondContact O-N 2.52Å; M122-Q126 VanDerWaalsContact O-N 3.11Å; A123-Q126 PolarHBondContact O-N 3.38Å; A124-Q126 VanDerWaalsContact C-N 3.34Å; A124-Q126 PolarHBondContact O-N 3.3Å; Q126-T128 PolarHBondContact O-N 3.45Å; Q126-L129 PolarHBondContact O-N 3.16Å; Q126-M130 WeakPolarHBondContact O-CB 3.4Å; Q126-M130 VanDerWaalsContact O-CG 3.24Å; Q126-M130 WeakPolarHBondContact O-CG 3.4Å; Q126-M130 PolarHBondContact O-N 2.95Å
127R95.2Very high93.8Very high99 Ų9917.5 Ų17.537%0.3748%0.081SC..Hα-helixtrans-60.3-45.8177.7-73.5-171.5-58.5-92.83.6112.2D121 A123 A124 V125 L129 M130 A131D121-R127 IonicContact OD2-NH2 2.9Å; D121-R127 PolarHBondContact OD2-NH2 3.28Å; A123-R127 WeakPolarHBondContact O-CG 3.37Å; A123-R127 PolarHBondContact O-N 3.08Å; A124-R127 WeakPolarHBondContact O-CB 3.22Å; A124-R127 PolarHBondContact O-N 3.13Å; A124-R127 VanDerWaalsContact O-N 3.13Å; V125-R127 PolarHBondContact O-N 2.75Å; R127-L129 PolarHBondContact O-N 2.66Å; R127-M130 PolarHBondContact O-N 3.43Å; R127-A131 WeakPolarHBondContact O-CB 3.41Å; R127-A131 PolarHBondContact O-N 3.19Å
128T96.5Very high93.6Very high0 Ų015.9 Ų15.90%08%0.077CC..Hα-helixtrans-62.3-44.1178.7-50.50000111.7V105 D109 F111 A124 V125 Q126 A131 L132V105-T128 HydrophobicContact CG1-CG2 4.4Å; D109-T128 VanDerWaalsContact O-CA 3.3Å; D109-T128 WeakPolarHBondContact O-CA 3.38Å; D109-T128 VanDerWaalsContact O-CB 3.31Å; D109-T128 WeakPolarHBondContact O-CB 3.48Å; D109-T128 PolarHBondContact O-N 3.21Å; D109-T128 PolarHBondContact O-OG1 3.02Å; F111-T128 HydrophobicContact CD1-CG2 3.97Å; F111-T128 VanDerWaalsContact CD1-OG1 3.3Å; F111-T128 WeakPolarHBondContact CD1-OG1 3.49Å; F111-T128 HydrophobicContact CE1-CG2 4.36Å; F111-T128 PolarHBondContact N-OG1 3.37Å; A124-T128 PolarHBondContact O-N 3.25Å; A124-T128 PolarHBondContact O-OG1 3.06Å; A124-T128 VanDerWaalsContact O-OG1 3.05Å; V125-T128 PolarHBondContact O-N 3.33Å; Q126-T128 PolarHBondContact O-N 3.45Å; T128-A131 PolarHBondContact O-N 3.41Å; T128-L132 WeakPolarHBondContact O-CB 3.46Å; T128-L132 PolarHBondContact O-N 3.49Å
129L96.3Very high93.5Very high0 Ų016.7 Ų16.70%08%0.08CC..Hα-helixtrans-67-40.5179.2-68.3173.2000111.9L30 I34 F52 L56 L62 L65 F96 V125 Q126 R127 L132 G133L30-L129 HydrophobicContact CD1-CB 4.09Å; L30-L129 HydrophobicContact CD1-CD1 4.24Å; L30-L129 HydrophobicContact CD2-CB 3.68Å; L30-L129 HydrophobicContact CG-CB 4.49Å; I34-L129 HydrophobicContact CD1-CD1 4.26Å; F52-L129 HydrophobicContact CZ-CD1 4.07Å; L56-L129 HydrophobicContact CD1-CD1 4.1Å; L62-L129 HydrophobicContact CD2-CD2 3.92Å; L65-L129 HydrophobicContact CD2-CD2 3.71Å; F96-L129 HydrophobicContact CZ-CD2 4.05Å; V125-L129 HydrophobicContact CG1-CD1 4.16Å; V125-L129 WeakPolarHBondContact O-CG 3.28Å; V125-L129 PolarHBondContact O-N 3.23Å; V125-L129 VanDerWaalsContact O-N 3.08Å; Q126-L129 PolarHBondContact O-N 3.16Å; R127-L129 PolarHBondContact O-N 2.66Å; L129-L132 PolarHBondContact O-N 3.34Å; L129-G133 PolarHBondContact O-N 3.25Å
130M95.4Very high93.1Very high27 Ų2720.5 Ų20.513%0.13310%0.098CC..Hα-helixtrans-60.6-44.8172.4-73-61.8-63.500111.6L26 L30 Q126 R127 L132 G133 S134 F151L26-M130 HydrophobicContact CD2-CE 4.21Å; L26-M130 HydrophobicContact CD2-SD 4.24Å; L30-M130 HydrophobicContact CD1-CG 4.45Å; L30-M130 HydrophobicContact CD2-CG 4.15Å; L30-M130 HydrophobicContact CD2-SD 3.75Å; L30-M130 HydrophobicContact CG-SD 4.2Å; Q126-M130 WeakPolarHBondContact O-CB 3.4Å; Q126-M130 VanDerWaalsContact O-CG 3.24Å; Q126-M130 WeakPolarHBondContact O-CG 3.4Å; Q126-M130 PolarHBondContact O-N 2.95Å; R127-M130 PolarHBondContact O-N 3.43Å; M130-L132 VanDerWaalsContact C-N 3.35Å; M130-L132 PolarHBondContact O-N 3.29Å; M130-G133 PolarHBondContact O-N 3.24Å; M130-S134 PolarHBondContact O-N 3.28Å; M130-S134 PolarHBondContact O-OG 2.9Å; M130-F151 HydrophobicContact CE-CD1 4.1Å; M130-F151 HydrophobicContact CE-CE1 4.33Å; M130-F151 HydrophobicContact SD-CD1 4.15Å; M130-F151 HydrophobicContact SD-CE1 3.79Å
131A94.7Very high92.8Very high7 Ų721.2 Ų21.26%0.05811%0.105CC..Hα-helixtrans-63.2-41177.100000111.8V105 D109 R127 T128 S134 V135V105-A131 HydrophobicContact CG1-CB 3.93Å; D109-A131 HydrophobicContact CB-CB 4.02Å; R127-A131 WeakPolarHBondContact O-CB 3.41Å; R127-A131 PolarHBondContact O-N 3.19Å; T128-A131 PolarHBondContact O-N 3.41Å; A131-S134 PolarHBondContact O-N 3.43Å; A131-V135 VanDerWaalsContact O-CG2 3.24Å; A131-V135 WeakPolarHBondContact O-CG2 3.33Å; A131-V135 PolarHBondContact O-N 3.07Å
132L95.3Very high92.4Very high0 Ų023.3 Ų23.30%013%0.132CC..Hα-helixtrans-62-47.6175.9-178.762.8000111.7W33 L65 I66 L69 F96 Y103 V105 T128 L129 M130 V135 A136W33-L132 HydrophobicContact CH2-CB 4.45Å; W33-L132 HydrophobicContact CH2-CD2 4.27Å; W33-L132 HydrophobicContact CH2-CG 4.18Å; L65-L132 HydrophobicContact CD2-CD2 4.24Å; I66-L132 HydrophobicContact CD1-CD1 3.85Å; I66-L132 HydrophobicContact CD1-CD2 4.25Å; L69-L132 HydrophobicContact CD1-CD1 3.99Å; L69-L132 HydrophobicContact CD1-CD2 4.16Å; L69-L132 HydrophobicContact CD1-CG 3.98Å; F96-L132 HydrophobicContact CE2-CD2 3.84Å; F96-L132 HydrophobicContact CZ-CD2 3.98Å; Y103-L132 HydrophobicContact CD1-CD1 3.54Å; Y103-L132 HydrophobicContact CE1-CD1 4.09Å; Y103-L132 HydrophobicContact CG-CD1 4.22Å; V105-L132 HydrophobicContact CG2-CB 3.92Å; V105-L132 HydrophobicContact CG2-CD1 3.83Å; T128-L132 WeakPolarHBondContact O-CB 3.46Å; T128-L132 PolarHBondContact O-N 3.49Å; L129-L132 PolarHBondContact O-N 3.34Å; M130-L132 VanDerWaalsContact C-N 3.35Å; M130-L132 PolarHBondContact O-N 3.29Å; L132-V135 PolarHBondContact O-N 3.02Å; L132-A136 WeakPolarHBondContact O-CB 3.4Å; L132-A136 PolarHBondContact O-N 3.32Å
133G94.2Very high92.2Very high0 Ų025.9 Ų25.90%014%0.144CC..Hα-helixtrans-62-43177.300000112.7L129 M130 V135 A136 L137L129-G133 PolarHBondContact O-N 3.25Å; M130-G133 PolarHBondContact O-N 3.24Å; G133-V135 PolarHBondContact O-N 3.47Å; G133-A136 PolarHBondContact O-N 3.31Å; G133-L137 WeakPolarHBondContact O-CB 3.45Å; G133-L137 PolarHBondContact O-N 3.49Å
134S93.7Very high92Very high0 Ų027.2 Ų27.20%015%0.148CC..Hα-helixtrans-61.3-41.9173.7-69.80000112.3M130 A131 T138 H152M130-S134 PolarHBondContact O-N 3.28Å; M130-S134 PolarHBondContact O-OG 2.9Å; A131-S134 PolarHBondContact O-N 3.43Å; S134-T138 WeakPolarHBondContact O-CB 3.39Å; S134-T138 PolarHBondContact O-N 2.81Å; S134-T138 PolarHBondContact O-OG1 3.19Å; S134-H152 WeakPolarHBondContact CB-O 3.12Å; S134-H152 PolarHBondContact OG-CE1 3.02Å; S134-H152 PolarHBondContact OG-NE2 3.37Å; S134-H152 PolarHBondContact OG-O 3.31Å; S134-H152 VanDerWaalsContact OG-O 3.06Å
135V93.1Very high91.7Very high13 Ų1333.3 Ų33.38%0.07917%0.169CC..Hα-helixtrans-65-43.9176.4171.80000110.9Y103 A131 L132 G133 L137 T138 K139 K154Y103-V135 HydrophobicContact CD1-CB 4.41Å; Y103-V135 HydrophobicContact CD1-CG1 3.71Å; Y103-V135 HydrophobicContact CE1-CB 4.4Å; Y103-V135 HydrophobicContact CE1-CG1 3.8Å; A131-V135 VanDerWaalsContact O-CG2 3.24Å; A131-V135 WeakPolarHBondContact O-CG2 3.33Å; A131-V135 PolarHBondContact O-N 3.07Å; L132-V135 PolarHBondContact O-N 3.02Å; G133-V135 PolarHBondContact O-N 3.47Å; V135-L137 PolarHBondContact O-N 2.99Å; V135-T138 WeakPolarHBondContact O-CB 3.4Å; V135-T138 PolarHBondContact O-N 3.28Å; V135-T138 VanDerWaalsContact O-N 3.15Å; V135-K139 PolarHBondContact O-N 2.99Å; V135-K154 HydrophobicContact CG2-CD 4.09Å
136A92Very high91.2Very high0 Ų035.1 Ų35.10%019%0.188CC..Hα-helixtrans-60.7-46177.700000112.1L69 Y103 L132 G133 T138 K139 D140 Y144L69-A136 HydrophobicContact CD1-CB 4.21Å; L69-A136 HydrophobicContact CD2-CB 3.74Å; Y103-A136 HydrophobicContact CE1-CB 3.92Å; Y103-A136 WeakPolarHBondContact OH-CA 2.99Å; L132-A136 WeakPolarHBondContact O-CB 3.4Å; L132-A136 PolarHBondContact O-N 3.32Å; G133-A136 PolarHBondContact O-N 3.31Å; A136-T138 PolarHBondContact O-N 3.21Å; A136-K139 PolarHBondContact O-N 3.04Å; A136-D140 PolarHBondContact O-N 3.16Å; A136-Y144 HydrophobicContact CB-CD2 3.84Å
137L92.4Very high90.8Very high5 Ų538.6 Ų38.63%0.02621%0.206CC..Hα-helixtrans-62.1-33.2175.8-174.766.9000112.4G133 V135 Y144 R148 F151 R153G133-L137 WeakPolarHBondContact O-CB 3.45Å; G133-L137 PolarHBondContact O-N 3.49Å; V135-L137 PolarHBondContact O-N 2.99Å; L137-Y144 HydrophobicContact CD1-CD1 4.27Å; L137-Y144 HydrophobicContact CD1-CE1 4.2Å; L137-R148 HydrophobicContact CD1-CB 3.91Å; L137-R148 HydrophobicContact CD1-CG 3.9Å; L137-R148 WeakPolarHBondContact CD2-O 3.21Å; L137-F151 HydrophobicContact CD2-CB 4.1Å; L137-F151 WeakPolarHBondContact CD2-O 3.32Å; L137-R153 HydrophobicContact CD2-CG 3.87Å; L137-R153 HydrophobicContact CG-CG 3.87Å; L137-R153 PolarHBondContact O-NH1 3.32Å
138T89.7Confident90.4Very high17 Ų1739.1 Ų39.110%0.10421%0.209CC..Hα-helixtrans-74.8-35.7-179.5-54.10000112.2S134 V135 A136 D140 R153 K154 Q156S134-T138 WeakPolarHBondContact O-CB 3.39Å; S134-T138 PolarHBondContact O-N 2.81Å; S134-T138 PolarHBondContact O-OG1 3.19Å; V135-T138 WeakPolarHBondContact O-CB 3.4Å; V135-T138 PolarHBondContact O-N 3.28Å; V135-T138 VanDerWaalsContact O-N 3.15Å; A136-T138 PolarHBondContact O-N 3.21Å; T138-D140 VanDerWaalsContact C-N 3.32Å; T138-D140 PolarHBondContact O-N 3.06Å; T138-R153 WeakPolarHBondContact OG1-CA 3.37Å; T138-K154 HydrophobicContact CG2-CB 4.29Å; T138-K154 WeakPolarHBondContact CG2-O 3.36Å; T138-K154 PolarHBondContact OG1-N 3.45Å; T138-Q156 HydrophobicContact CG2-CG 3.66Å
139K86.9Confident90Very high89 Ų8945.7 Ų45.739%0.38724%0.243SC..Hα-helixtrans-66.5-32.5177.4-76.7-175.1179.11780113.1Y103 V135 A136 D141Y103-K139 VanDerWaalsContact CD2-NZ 3.26Å; Y103-K139 HydrophobicContact CE1-CD 4.16Å; Y103-K139 HydrophobicContact CE2-CD 4.13Å; Y103-K139 WeakPolarHBondContact O-CE 3.37Å; Y103-K139 PolarHBondContact O-NZ 3.33Å; V135-K139 PolarHBondContact O-N 2.99Å; A136-K139 PolarHBondContact O-N 3.04Å; K139-D141 PolarHBondContact O-N 3.25Å
140D82.7Confident89.6Confident84 Ų8448.4 Ų48.445%0.44925%0.254SS..  trans51.638.7177-141-4000113.3A136 T138 G142 R148 R153A136-D140 PolarHBondContact O-N 3.16Å; T138-D140 VanDerWaalsContact C-N 3.32Å; T138-D140 PolarHBondContact O-N 3.06Å; D140-G142 PolarHBondContact O-N 2.95Å; D140-R148 VanDerWaalsContact CG-NH2 3.27Å; D140-R148 IonicContact OD1-CZ 3Å; D140-R148 IonicContact OD1-NH2 2.83Å; D140-R148 PolarHBondContact OD1-NH2 2.93Å; D140-R148 IonicContact OD2-NH2 3.08Å; D140-R148 PolarHBondContact OD2-NH2 3.03Å; D140-R153 IonicContact OD2-CZ 3.96Å; D140-R153 IonicContact OD2-NH1 2.78Å; D140-R153 PolarHBondContact OD2-NH1 3.36Å; D140-R153 IonicContact OD2-NH2 2.65Å; D140-R153 PolarHBondContact OD2-NH2 3.32Å
141D84.8Confident89.4Confident65 Ų6547.7 Ų47.735%0.34825%0.25SC..  trans-81.42.2-176.958.112.4000114K139 H143K139-D141 PolarHBondContact O-N 3.25Å; D141-H143 VanDerWaalsContact C-N 3.28Å; D141-H143 PolarHBondContact O-N 3.44Å; D141-H143 WeakPolarHBondContact OD1-CB 3.4Å; D141-H143 IonicContact OD1-CD2 3.8Å; D141-H143 IonicContact OD1-CG 3.21Å; D141-H143 PolarHBondContact OD1-N 3.21Å; D141-H143 IonicContact OD2-CD2 2.91Å
142G84.6Confident89.1Confident66 Ų6653 Ų5368%0.6827%0.273SS*.SBendtrans78.24.2-178.100000114.8D140D140-G142 PolarHBondContact O-N 2.95Å
143H88.4Confident88.6Confident56 Ų5658.8 Ų58.826%0.25930%0.295SS..  trans-95.4-15.9177.2-62.1-52.6000113.5Q37 P71 D141Q37-H143 PolarHBondContact NE2-O 3.46Å; P71-H143 WeakPolarHBondContact CB-NE2 3.28Å; D141-H143 VanDerWaalsContact C-N 3.28Å; D141-H143 PolarHBondContact O-N 3.44Å; D141-H143 WeakPolarHBondContact OD1-CB 3.4Å; D141-H143 IonicContact OD1-CD2 3.8Å; D141-H143 IonicContact OD1-CG 3.21Å; D141-H143 PolarHBondContact OD1-N 3.21Å; D141-H143 IonicContact OD2-CD2 2.91Å
144Y90.1Very high88Confident31 Ų3161.5 Ų61.512%0.12231%0.307CS..  trans-66.4136170.3-178.4-90.1000111.6W33 A136 L137 D147 F151W33-Y144 AromaticContact CD1-CE2 3.99Å; W33-Y144 AromaticContact CE2-CE2 3.96Å; W33-Y144 HydrophobicContact CZ2-CE2 4.32Å; W33-Y144 AromaticContact NE1-CD2 3.98Å; W33-Y144 AromaticContact NE1-CE2 3.23Å; W33-Y144 AromaticContact NE1-CZ 3.75Å; A136-Y144 HydrophobicContact CB-CD2 3.84Å; L137-Y144 HydrophobicContact CD1-CD1 4.27Å; L137-Y144 HydrophobicContact CD1-CE1 4.2Å; Y144-D147 PolarHBondContact OH-O 3.49Å; Y144-F151 HydrophobicContact CE2-CD2 4.07Å; Y144-F151 HydrophobicContact CE2-CE2 4.19Å; Y144-F151 AromaticContact CZ-CD2 3.96Å; Y144-F151 WeakPolarHBondContact OH-CD2 3.31Å; Y144-F151 VanDerWaalsContact OH-CE2 3.22Å; Y144-F151 WeakPolarHBondContact OH-CE2 3.44Å
145R87.7Confident87.1Confident137 Ų13766.6 Ų66.652%0.51735%0.349SS..  trans-134.5145.5177.1-55.4175.6-178.5176-0.4109.7Q37Q37-R145 PolarHBondContact OE1-O 2.94Å
146G86.8Confident85.9Confident38 Ų3872.8 Ų72.839%0.39238%0.377SS..SBendtrans114.9-176.4-176.400000112.1
147D87.3Confident84.9Confident76 Ų7676.7 Ų76.741%0.40642%0.417SS..  trans-74.8130.1179.7-165.4-20.7000110.8Y144 D149 W150Y144-D147 PolarHBondContact OH-O 3.49Å; D147-D149 PolarHBondContact O-N 3.2Å; D147-D149 PolarHBondContact OD1-N 3.4Å; D147-W150 HydrophobicContact CB-CD2 3.63Å; D147-W150 VanDerWaalsContact CB-CE2 3.47Å; D147-W150 HydrophobicContact CB-CE3 4.01Å; D147-W150 HydrophobicContact CB-CG 4.04Å; D147-W150 HydrophobicContact CB-CH2 4.19Å; D147-W150 HydrophobicContact CB-CZ2 3.79Å; D147-W150 HydrophobicContact CB-CZ3 4.27Å; D147-W150 WeakPolarHBondContact O-CB 3.46Å; D147-W150 PolarHBondContact O-N 3.42Å
148R85.8Confident84.1Confident111 Ų11185.5 Ų85.542%0.41945%0.451SS..G310 helixtrans-70.8-22.2-179.4-55.9-17389.1148.215.5111.7L137 D140 W150 R153L137-R148 HydrophobicContact CD1-CB 3.91Å; L137-R148 HydrophobicContact CD1-CG 3.9Å; L137-R148 WeakPolarHBondContact CD2-O 3.21Å; D140-R148 VanDerWaalsContact CG-NH2 3.27Å; D140-R148 IonicContact OD1-CZ 3Å; D140-R148 IonicContact OD1-NH2 2.83Å; D140-R148 PolarHBondContact OD1-NH2 2.93Å; D140-R148 IonicContact OD2-NH2 3.08Å; D140-R148 PolarHBondContact OD2-NH2 3.03Å; R148-W150 PolarHBondContact O-N 3.07Å; R148-R153 VanDerWaalsContact CZ-NH2 3.33Å
149D88.1Confident83.4Confident137 Ų13795.1 Ų95.173%0.73349%0.486SS*.G310 helixtrans-74.1-12.1179.5-70.4-28.8000113D147 F151D147-D149 PolarHBondContact O-N 3.2Å; D147-D149 PolarHBondContact OD1-N 3.4Å; D149-F151 VanDerWaalsContact C-N 3.29Å; D149-F151 PolarHBondContact O-N 2.98Å
150W88.4Confident82.9Confident57 Ų5799.2 Ų99.222%0.21650%0.499CS..G310 helixtrans-69-27.8177-67.7-16.2000113.3R29 D32 W33 A36 D147 R148R29-W150 WeakPolarHBondContact CD-O 3.31Å; R29-W150 HydrophobicContact CG-CB 3.85Å; R29-W150 HydrophobicContact CG-CD2 4.31Å; R29-W150 HydrophobicContact CG-CG 3.7Å; R29-W150 PolarHBondContact NH1-O 3.21Å; D32-W150 HydrophobicContact CB-CH2 3.91Å; D32-W150 HydrophobicContact CB-CZ2 3.97Å; W33-W150 HydrophobicContact CB-CE3 3.73Å; W33-W150 HydrophobicContact CB-CZ3 3.93Å; W33-W150 HydrophobicContact CG-CE3 4.3Å; A36-W150 HydrophobicContact CB-CZ3 4.3Å; D147-W150 HydrophobicContact CB-CD2 3.63Å; D147-W150 VanDerWaalsContact CB-CE2 3.47Å; D147-W150 HydrophobicContact CB-CE3 4.01Å; D147-W150 HydrophobicContact CB-CG 4.04Å; D147-W150 HydrophobicContact CB-CH2 4.19Å; D147-W150 HydrophobicContact CB-CZ2 3.79Å; D147-W150 HydrophobicContact CB-CZ3 4.27Å; D147-W150 WeakPolarHBondContact O-CB 3.46Å; D147-W150 PolarHBondContact O-N 3.42Å; R148-W150 PolarHBondContact O-N 3.07Å
151F91.6Very high82.9Confident12 Ų12103.9 Ų103.95%0.05352%0.518CS..SBendtrans-128.7156.1-175.5-53.7-84.3000111.2L30 W33 M130 L137 Y144 D149L30-F151 HydrophobicContact CD2-CE1 4.27Å; L30-F151 HydrophobicContact CD2-CZ 4.46Å; W33-F151 HydrophobicContact CB-CE2 3.99Å; W33-F151 HydrophobicContact CB-CZ 3.84Å; W33-F151 AromaticContact CD1-CE2 3.59Å; W33-F151 HydrophobicContact CD2-CE1 4.33Å; W33-F151 AromaticContact CD2-CE2 3.66Å; W33-F151 HydrophobicContact CD2-CE2 3.66Å; W33-F151 AromaticContact CD2-CZ 3.29Å; W33-F151 HydrophobicContact CD2-CZ 3.29Å; W33-F151 AromaticContact CE2-CE2 3.91Å; W33-F151 AromaticContact CE2-CZ 3.86Å; W33-F151 HydrophobicContact CE3-CE1 4.19Å; W33-F151 HydrophobicContact CE3-CE2 4.33Å; W33-F151 AromaticContact CE3-CZ 3.5Å; W33-F151 HydrophobicContact CE3-CZ 3.5Å; W33-F151 AromaticContact CG-CE2 3.45Å; W33-F151 HydrophobicContact CG-CE2 3.45Å; W33-F151 VanDerWaalsContact CG-CE2 3.45Å; W33-F151 AromaticContact CG-CZ 3.43Å; W33-F151 HydrophobicContact CG-CZ 3.43Å; W33-F151 VanDerWaalsContact CG-CZ 3.43Å; W33-F151 HydrophobicContact CZ3-CZ 4.18Å; W33-F151 AromaticContact NE1-CE2 3.87Å; M130-F151 HydrophobicContact CE-CD1 4.1Å; M130-F151 HydrophobicContact CE-CE1 4.33Å; M130-F151 HydrophobicContact SD-CD1 4.15Å; M130-F151 HydrophobicContact SD-CE1 3.79Å; L137-F151 HydrophobicContact CD2-CB 4.1Å; L137-F151 WeakPolarHBondContact CD2-O 3.32Å; Y144-F151 HydrophobicContact CE2-CD2 4.07Å; Y144-F151 HydrophobicContact CE2-CE2 4.19Å; Y144-F151 AromaticContact CZ-CD2 3.96Å; Y144-F151 WeakPolarHBondContact OH-CD2 3.31Å; Y144-F151 VanDerWaalsContact OH-CE2 3.22Å; Y144-F151 WeakPolarHBondContact OH-CE2 3.44Å; D149-F151 VanDerWaalsContact C-N 3.29Å; D149-F151 PolarHBondContact O-N 2.98Å
152H86.9Confident82.9Confident118 Ų118105.8 Ų105.855%0.54652%0.523SS..PPolyproline II helixtrans-99137.7174.654.3-91.2000109.6S134 K154S134-H152 WeakPolarHBondContact CB-O 3.12Å; S134-H152 PolarHBondContact OG-CE1 3.02Å; S134-H152 PolarHBondContact OG-NE2 3.37Å; S134-H152 PolarHBondContact OG-O 3.31Å; S134-H152 VanDerWaalsContact OG-O 3.06Å; H152-K154 PolarHBondContact O-N 2.97Å
153R84.6Confident83.1Confident122 Ų122105.8 Ų105.846%0.4651%0.513SS..PPolyproline II helixtrans-65.8130.8169.5-70.8-173.1-172.9-116.422109.2L137 T138 D140 R148L137-R153 HydrophobicContact CD2-CG 3.87Å; L137-R153 HydrophobicContact CG-CG 3.87Å; L137-R153 PolarHBondContact O-NH1 3.32Å; T138-R153 WeakPolarHBondContact OG1-CA 3.37Å; D140-R153 IonicContact OD2-CZ 3.96Å; D140-R153 IonicContact OD2-NH1 2.78Å; D140-R153 PolarHBondContact OD2-NH1 3.36Å; D140-R153 IonicContact OD2-NH2 2.65Å; D140-R153 PolarHBondContact OD2-NH2 3.32Å; R148-R153 VanDerWaalsContact CZ-NH2 3.33Å
154K81.9Confident83Confident57 Ų57111.3 Ų111.325%0.24854%0.539CS..PPolyproline II helixtrans-73.8140.3170.3-67.1-165.2173.9-169.70108.6V135 T138 H152 Q156V135-K154 HydrophobicContact CG2-CD 4.09Å; T138-K154 HydrophobicContact CG2-CB 4.29Å; T138-K154 WeakPolarHBondContact CG2-O 3.36Å; T138-K154 PolarHBondContact OG1-N 3.45Å; H152-K154 PolarHBondContact O-N 2.97Å; K154-Q156 PolarHBondContact O-N 3.02Å
155A75Confident82.8Confident107 Ų107114 Ų11488%0.88456%0.555SS**PPolyproline II helixtrans-65.1123.2173.800000109.4
156Q68.4Low82.6Confident144 Ų144112.2 Ų112.267%0.67355%0.553SS**PPolyproline II helixtrans-89.9126.9171-68.9-174.2-18.300108.9T138 K154 Y158T138-Q156 HydrophobicContact CG2-CG 3.66Å; K154-Q156 PolarHBondContact O-N 3.02Å; Q156-Y158 PolarHBondContact O-N 2.75Å
157G71.9Confident82.6Confident81 Ų81114.8 Ų114.884%0.83556%0.557SS**  trans-66.6115.5173.300000109.9R159G157-R159 PolarHBondContact O-N 3.1Å
158Y74Confident82.4Confident191 Ų191118.5 Ų118.575%0.74957%0.566SS**  trans-89.595.5172-174.6-113000109.4Q156 R160Q156-Y158 PolarHBondContact O-N 2.75Å; Y158-R160 HydrophobicContact CD1-CG 3.62Å; Y158-R160 HydrophobicContact CE1-CG 3.45Å; Y158-R160 VanDerWaalsContact CE1-CG 3.45Å; Y158-R160 PolarHBondContact O-N 3.39Å
159R74.7Confident82.4Confident219 Ų219119.6 Ų119.683%0.82658%0.575SS**  trans-76.4108171.7-168.1171.6-173.9163.1-0.1108G157 E161G157-R159 PolarHBondContact O-N 3.1Å; R159-E161 PolarHBondContact O-N 2.78Å
160R77.6Confident82Confident175 Ų175115 Ų11566%0.6656%0.56SS**PPolyproline II helixtrans-70.3116.9173.7-69.4176.8-174.5-175.12.2108.4Y158 F162Y158-R160 HydrophobicContact CD1-CG 3.62Å; Y158-R160 HydrophobicContact CE1-CG 3.45Å; Y158-R160 VanDerWaalsContact CE1-CG 3.45Å; Y158-R160 PolarHBondContact O-N 3.39Å; R160-F162 HydrophobicContact CB-CE1 4.42Å; R160-F162 HydrophobicContact CB-CE2 4.24Å; R160-F162 HydrophobicContact CB-CZ 4.02Å
161E82.1Confident81.5Confident182 Ų182119.8 Ų119.885%0.8559%0.585SS**PPolyproline II helixtrans-89.5121.9167.2-63.9-171.7167.200107.7R159R159-E161 PolarHBondContact O-N 2.78Å
162F86.2Confident80.8Confident104 Ų104123.9 Ų123.946%0.45662%0.615SS.*PPolyproline II helixtrans-97141.4174.2-59.7-71.2000108.1R160 Q166 L167R160-F162 HydrophobicContact CB-CE1 4.42Å; R160-F162 HydrophobicContact CB-CE2 4.24Å; R160-F162 HydrophobicContact CB-CZ 4.02Å; F162-Q166 HydrophobicContact CB-CB 4.43Å; F162-Q166 HydrophobicContact CB-CG 4.39Å; F162-Q166 HydrophobicContact CD1-CG 4.31Å; F162-L167 HydrophobicContact CB-CD2 3.83Å; F162-L167 HydrophobicContact CB-CG 3.91Å; F162-L167 HydrophobicContact CD2-CD2 4.23Å; F162-L167 HydrophobicContact CG-CD2 4.38Å
163S88.5Confident79.9Confident67 Ų67124.9 Ų124.947%0.46962%0.624SS.*PPolyproline II helixtrans-64.2155.2174.365.90000110.8D165 Q166 L167S163-D165 PolarHBondContact O-N 2.67Å; S163-Q166 WeakPolarHBondContact O-CB 3.4Å; S163-Q166 PolarHBondContact O-N 3Å; S163-Q166 VanDerWaalsContact OG-CB 3.32Å; S163-Q166 WeakPolarHBondContact OG-CB 3.27Å; S163-Q166 PolarHBondContact OG-N 2.85Å; S163-L167 WeakPolarHBondContact O-CG 3.32Å; S163-L167 PolarHBondContact O-N 2.91Å
164E86.1Confident79Confident172 Ų172126.2 Ų126.280%0.80464%0.638SS**Hα-helixtrans-56.6-38.7176.1-71.3-166154.700112Q166 L167 R168E164-Q166 PolarHBondContact O-N 3.33Å; E164-L167 PolarHBondContact O-N 3.07Å; E164-R168 VanDerWaalsContact O-CB 3.32Å; E164-R168 WeakPolarHBondContact O-CB 3.47Å; E164-R168 PolarHBondContact O-N 3.29Å
165D85.3Confident78.4Confident87 Ų87126 Ų12647%0.46565%0.653SS.*Hα-helixtrans-64.1-39.2175.4-77.7-47.9000112.6S163 R168 Q169S163-D165 PolarHBondContact O-N 2.67Å; D165-R168 PolarHBondContact O-N 3.28Å; D165-R168 IonicContact OD1-CZ 3.65Å; D165-R168 IonicContact OD1-NE 3.78Å; D165-R168 IonicContact OD1-NH2 2.85Å; D165-R168 PolarHBondContact OD1-NH2 3.48Å; D165-Q169 WeakPolarHBondContact O-CB 3.47Å; D165-Q169 VanDerWaalsContact O-CG 3.27Å; D165-Q169 WeakPolarHBondContact O-CG 3.32Å; D165-Q169 PolarHBondContact O-N 3.47Å
166Q84Confident77.9Confident99 Ų99128.3 Ų128.346%0.46365%0.649SS.*Hα-helixtrans-67.9-39.3176.2-174.1172.91400111.7F162 S163 E164 G170F162-Q166 HydrophobicContact CB-CB 4.43Å; F162-Q166 HydrophobicContact CB-CG 4.39Å; F162-Q166 HydrophobicContact CD1-CG 4.31Å; S163-Q166 WeakPolarHBondContact O-CB 3.4Å; S163-Q166 PolarHBondContact O-N 3Å; S163-Q166 VanDerWaalsContact OG-CB 3.32Å; S163-Q166 WeakPolarHBondContact OG-CB 3.27Å; S163-Q166 PolarHBondContact OG-N 2.85Å; E164-Q166 PolarHBondContact O-N 3.33Å; Q166-G170 PolarHBondContact O-N 3.15Å
167L85.8Confident77.6Confident93 Ų93129.3 Ų129.349%0.48765%0.654SS.*Hα-helixtrans-63.7-41.7173.2-67.9173.4000111.3F162 S163 E164 G170 Q171F162-L167 HydrophobicContact CB-CD2 3.83Å; F162-L167 HydrophobicContact CB-CG 3.91Å; F162-L167 HydrophobicContact CD2-CD2 4.23Å; F162-L167 HydrophobicContact CG-CD2 4.38Å; S163-L167 WeakPolarHBondContact O-CG 3.32Å; S163-L167 PolarHBondContact O-N 2.91Å; E164-L167 PolarHBondContact O-N 3.07Å; L167-G170 WeakPolarHBondContact O-CA 3.47Å; L167-G170 PolarHBondContact O-N 3.16Å; L167-Q171 PolarHBondContact O-N 3.25Å; L167-Q171 VanDerWaalsContact O-N 3.13Å
168R84.3Confident76.7Confident154 Ų154135.1 Ų135.158%0.58166%0.662SS**Hα-helixtrans-67.6-39.2178-170.5171.663.7160.4-4.3112.6E164 D165 G170 Q171 S172E164-R168 VanDerWaalsContact O-CB 3.32Å; E164-R168 WeakPolarHBondContact O-CB 3.47Å; E164-R168 PolarHBondContact O-N 3.29Å; D165-R168 PolarHBondContact O-N 3.28Å; D165-R168 IonicContact OD1-CZ 3.65Å; D165-R168 IonicContact OD1-NE 3.78Å; D165-R168 IonicContact OD1-NH2 2.85Å; D165-R168 PolarHBondContact OD1-NH2 3.48Å; R168-G170 VanDerWaalsContact C-N 3.26Å; R168-G170 PolarHBondContact O-N 3.04Å; R168-Q171 WeakPolarHBondContact O-CB 3.48Å; R168-Q171 PolarHBondContact O-N 3.38Å; R168-S172 PolarHBondContact O-OG 2.7Å
169Q84.1Confident75.9Confident134 Ų134129.2 Ų129.263%0.62666%0.659SS**Hα-helixtrans-61.6-37.5170.7-74.3173.69.600111.3D165 Q171 S172D165-Q169 WeakPolarHBondContact O-CB 3.47Å; D165-Q169 VanDerWaalsContact O-CG 3.27Å; D165-Q169 WeakPolarHBondContact O-CG 3.32Å; D165-Q169 PolarHBondContact O-N 3.47Å; Q169-Q171 VanDerWaalsContact C-N 3.32Å; Q169-Q171 PolarHBondContact O-N 3.24Å; Q169-S172 WeakPolarHBondContact O-CB 3.46Å; Q169-S172 PolarHBondContact O-N 2.84Å
170G80.2Confident75Confident40 Ų40121.6 Ų121.641%0.41264%0.639SS.*Hα-helixtrans-62.2-34173.700000114Q166 L167 R168 S172 L173Q166-G170 PolarHBondContact O-N 3.15Å; L167-G170 WeakPolarHBondContact O-CA 3.47Å; L167-G170 PolarHBondContact O-N 3.16Å; R168-G170 VanDerWaalsContact C-N 3.26Å; R168-G170 PolarHBondContact O-N 3.04Å; G170-S172 PolarHBondContact O-N 2.99Å; G170-L173 PolarHBondContact O-N 3.2Å
171Q78.9Confident73.9Confident158 Ų158118.7 Ų118.774%0.73864%0.637SS**Hα-helixtrans-68-23.2176.1-66.21724.900113.1L167 R168 Q169 L173L167-Q171 PolarHBondContact O-N 3.25Å; L167-Q171 VanDerWaalsContact O-N 3.13Å; R168-Q171 WeakPolarHBondContact O-CB 3.48Å; R168-Q171 PolarHBondContact O-N 3.38Å; Q169-Q171 VanDerWaalsContact C-N 3.32Å; Q169-Q171 PolarHBondContact O-N 3.24Å; Q171-L173 VanDerWaalsContact C-N 3.34Å
172S75.6Confident72.5Confident97 Ų97121.2 Ų121.268%0.67864%0.639SS**Hα-helixtrans-80-20.1178.5-510000112.3R168 Q169 G170 I174R168-S172 PolarHBondContact O-OG 2.7Å; Q169-S172 WeakPolarHBondContact O-CB 3.46Å; Q169-S172 PolarHBondContact O-N 2.84Å; G170-S172 PolarHBondContact O-N 2.99Å; S172-I174 PolarHBondContact O-N 3.27Å
173L69.1Low71Confident139 Ų139120 Ų12073%0.72866%0.656SS**SBendtrans-79.9101.9172.3-72.4163.5000108.4G170 Q171 G175G170-L173 PolarHBondContact O-N 3.2Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.31Å
174I66.1Low69.3Low150 Ų150120.1 Ų120.177%0.76966%0.661SS**  trans-63102.5169.6-59.3172.8000106.7S172S172-I174 PolarHBondContact O-N 3.27Å
175G67.9Low68.2Low54 Ų54116.4 Ų116.456%0.55765%0.654SS**  trans-54.3155.8169.900000109.5L173 Q177L173-G175 PolarHBondContact O-N 3.31Å; G175-Q177 VanDerWaalsContact C-N 3.31Å; G175-Q177 PolarHBondContact O-N 3.19Å
176L65.3Low66.8Low155 Ų155120.1 Ų120.181%0.81267%0.668SS**  trans-55.298.2176.2-133118.3000108.2M178 S180L176-M178 PolarHBondContact O-N 2.89Å; L176-S180 VanDerWaalsContact CD2-CB 3.47Å
177Q61.6Low65.3Low164 Ų164120 Ų12077%0.76668%0.679SS**  trans-57.7129.6173.4-89.1-172.3-16.400105.9G175 G179G175-Q177 VanDerWaalsContact C-N 3.31Å; G175-Q177 PolarHBondContact O-N 3.19Å; Q177-G179 PolarHBondContact O-N 3.34Å
178M52.7Low64Low204 Ų204119 Ų119100%1.00569%0.691SS**SBendtrans-39.1105.7172-83.2-95.6-117.200109.2L176L176-M178 PolarHBondContact O-N 2.89Å
179G58.5Low62.7Low67 Ų67118.8 Ų118.869%0.69170%0.698SS**  trans127.631.2-17500000117Q177 N181Q177-G179 PolarHBondContact O-N 3.34Å; G179-N181 PolarHBondContact O-N 2.92Å
180S54.7Low61.7Low58 Ų58117.9 Ų117.941%0.40670%0.702SS.*  trans-69.3104.4158.2-168.90000109.2L176 R182L176-S180 VanDerWaalsContact CD2-CB 3.47Å; S180-R182 PolarHBondContact O-N 3.04Å
181N54.9Low61Low114 Ų114118.4 Ų118.461%0.6171%0.707SS**G310 helixtrans-73.96.7169.750-5.3000113.1G179 G183 A184G179-N181 PolarHBondContact O-N 2.92Å; N181-G183 PolarHBondContact O-N 3.27Å; N181-A184 HydrophobicContact CB-CB 4.41Å; N181-A184 PolarHBondContact O-N 3.49Å; N181-A184 VanDerWaalsContact O-O 3.09Å
182R51.9Low60Low235 Ų235123 Ų12389%0.88772%0.72SS**G310 helixtrans-64.3-11176.9-76-168.3-159.9169.47.8114.5S180S180-R182 PolarHBondContact O-N 3.04Å
183G55.2Low59.5Low80 Ų80121.6 Ų121.683%0.82572%0.72SS**G310 helixtrans-109.3-6.5168.900000114.7N181N181-G183 PolarHBondContact O-N 3.27Å
184A54Low59.3Low69 Ų69118.3 Ų118.357%0.5771%0.709SS**SBendtrans-96.1101.4175.900000107.4N181 Q186N181-A184 HydrophobicContact CB-CB 4.41Å; N181-A184 PolarHBondContact O-N 3.49Å; N181-A184 VanDerWaalsContact O-O 3.09Å; A184-Q186 PolarHBondContact O-N 3.43Å
185S61.5Low59.2Low94 Ų94119.6 Ų119.666%0.65771%0.711SS**  trans-49.6133.7174.150.20000109.4S187S185-S187 PolarHBondContact O-N 3.18Å; S185-S187 PolarHBondContact O-OG 3.04Å; S185-S187 PolarHBondContact OG-OG 3.18Å
186Q56.5Low59Low165 Ų165128.3 Ų128.377%0.77173%0.727SS**SBendtrans-6521.2175.4-160.4-174.237.600112.7A184 G188 M189A184-Q186 PolarHBondContact O-N 3.43Å; Q186-G188 PolarHBondContact O-N 3.44Å; Q186-G188 VanDerWaalsContact O-N 3.13Å; Q186-M189 HydrophobicContact CG-CB 4.39Å
187S53.1Low59Low97 Ų97130.4 Ų130.468%0.67873%0.733SS**THydrogen-bonded Turntrans-72.998.917248.80000108.6S185S185-S187 PolarHBondContact O-N 3.18Å; S185-S187 PolarHBondContact O-OG 3.04Å; S185-S187 PolarHBondContact OG-OG 3.18Å
188G58.8Low58.8Low72 Ų72130.2 Ų130.274%0.74274%0.736SS**THydrogen-bonded Turntrans118.40.5171.700000116.5Q186 T190Q186-G188 PolarHBondContact O-N 3.44Å; Q186-G188 VanDerWaalsContact O-N 3.13Å; G188-T190 PolarHBondContact O-N 3.13Å
189M57.1Low58.3Low149 Ų149133 Ų13373%0.73475%0.75SS**  trans-77.9101.1169.4-81.1-175.267.500110.3Q186 G191Q186-M189 HydrophobicContact CG-CB 4.39Å; M189-G191 PolarHBondContact O-N 3.26Å
190T62.1Low58.3Low115 Ų115136.4 Ų136.471%0.70675%0.753SS**  trans-70.3115.5165.444.60000109.4G188G188-T190 PolarHBondContact O-N 3.13Å
191G66.6Low58.5Low51 Ų51140.5 Ų140.553%0.52677%0.771SS.*  trans-63.2152.1177.400000112.6M189 G193 S194M189-G191 PolarHBondContact O-N 3.26Å; G191-G193 PolarHBondContact O-N 3.35Å; G191-G193 VanDerWaalsContact O-N 3.16Å; G191-S194 PolarHBondContact O-N 2.85Å; G191-S194 VanDerWaalsContact O-N 3.15Å; G191-S194 PolarHBondContact O-OG 2.88Å
192Y57.8Low58.7Low254 Ų254141.9 Ų141.9100%0.99678%0.78SS**THydrogen-bonded Turntrans-52.2121.4173.7-82.8-87.7000110.3
193G63.9Low59.1Low67 Ų67136.5 Ų136.569%0.69177%0.774SS**THydrogen-bonded Turntrans108.1-5-178.300000115.5G191 H195G191-G193 PolarHBondContact O-N 3.35Å; G191-G193 VanDerWaalsContact O-N 3.16Å; G193-H195 PolarHBondContact O-N 3.36Å; G193-H195 PolarHBondContact O-ND1 2.86Å
194S66.1Low59.3Low71 Ų71140 Ų14050%0.49777%0.77SS.*  trans-64.1125.4173.760.40000111.3G191G191-S194 PolarHBondContact O-N 2.85Å; G191-S194 VanDerWaalsContact O-N 3.15Å; G191-S194 PolarHBondContact O-OG 2.88Å
195H63.5Low59.6Low176 Ų176144.7 Ų144.782%0.81578%0.784SS**  trans-70.4135.5-176.9-63.717.5000110.7G193 Q197G193-H195 PolarHBondContact O-N 3.36Å; G193-H195 PolarHBondContact O-ND1 2.86Å; H195-Q197 PolarHBondContact O-N 3.2Å
196R64Low59.5Low237 Ų237148.4 Ų148.489%0.89479%0.793SS**  trans-68.1115.7172.3-76.9-173.2176.6-145-0108.6I198R196-I198 PolarHBondContact O-N 3.37Å
197Q64.5Low59.7Low199 Ų199147.1 Ų147.193%0.9380%0.795SS**  trans-69.6119.9164.8-79.7-173.8-30.600108.2H195H195-Q197 PolarHBondContact O-N 3.2Å
198I58.2Low60.3Low160 Ų160151.3 Ų151.382%0.82180%0.804SS**  trans-103.8116.8172-32.2176.5000105.6R196R196-I198 PolarHBondContact O-N 3.37Å
199M41.1Very low60.4Low264 Ų264158.5 Ų158.5100%1.381%0.81SS**  trans-129.10163.4-102.4-175.9172.400107.5

Retrieved 199 of 199 residues in 457.2 ms (Link to these results)

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