A0A087YP13_POEFO Loading...

Growth arrest specific 2

AlphaFold DB , UniProt , Accession A0A087YP13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 342 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
1M30.2Very low38Very low239 Ų239132.5 Ų132.5100%1.17776%0.763SS**  0113.70-73.8-173.1160.800107S3M1-S3 PolarHBondContact O-N 3.17Å
2C30.4Very low39.8Very low138 Ų138122.9 Ų122.993%0.93272%0.715SS**  trans-78.8115-173.1-62.40000109.7S4C2-S4 PolarHBondContact O-N 2.67Å
3S28.3Very low42Very low115 Ų115115.2 Ų115.280%0.80467%0.671SS**  trans-83.4108.6168.2-58.50000108.4M1 V5M1-S3 PolarHBondContact O-N 3.17Å; S3-V5 PolarHBondContact O-N 3.23Å
4S31.1Very low43.5Very low106 Ų106108.4 Ų108.474%0.74164%0.639SS**  trans-64.6108.3171.642.50000109.8C2 S6C2-S4 PolarHBondContact O-N 2.67Å; S4-S6 PolarHBondContact O-N 3.46Å
5V33.9Very low45Very low137 Ų137108.9 Ų108.983%0.8364%0.637SS**  trans-68101.8168.7-175.50000107.1S3 P7S3-V5 PolarHBondContact O-N 3.23Å; V5-P7 WeakPolarHBondContact O-CD 3.41Å
6S27.2Very low46.8Very low99 Ų99111 Ų11169%0.69265%0.651SS**  trans-76115.7172-72.90000109S4 K8S4-S6 PolarHBondContact O-N 3.46Å; S6-K8 PolarHBondContact O-N 3.15Å
7P41.1Very low48.8Very low115 Ų115108.5 Ų108.575%0.74763%0.634SS**THydrogen-bonded Turntrans-85.894.1175.831.4-24.4000107.4V5V5-P7 WeakPolarHBondContact O-CD 3.41Å
8K40.2Very low50.5Low201 Ų201108 Ų10887%0.87463%0.626SS**THydrogen-bonded Turntrans-169.3-0.9168.1-106.3150.8-163.3-171.20118.5S6 L10S6-K8 PolarHBondContact O-N 3.15Å; K8-L10 PolarHBondContact O-N 3Å
9Q45.9Very low52.2Low174 Ų174109 Ų10981%0.81363%0.625SS**  trans-99.379.6176.2-104.2168.1-23.400111.8C11Q9-C11 PolarHBondContact O-N 3.21Å
10L50.9Low53.6Low75 Ų75108.5 Ų108.539%0.39362%0.616SS.*  trans-68.4-16.7165.2-80149.6000112.2K8 L296K8-L10 PolarHBondContact O-N 3Å; L10-L296 HydrophobicContact CD2-CD2 4.12Å
11C59.1Low54.7Low58 Ų58106.9 Ų106.939%0.39260%0.601SS.*SBendtrans-90.9126.6179.4-149.80000110.2Q9Q9-C11 PolarHBondContact O-N 3.21Å
12G59.2Low57Low18 Ų18101.4 Ų101.419%0.18657%0.573CS.*PPolyproline II helixtrans-69.8157.317800000112.5W24G12-W24 VanDerWaalsContact CA-CE2 3.48Å
13P68.6Low59.4Low22 Ų22100.5 Ų100.514%0.14356%0.555CS.*PPolyproline II helixtrans-61.8151173.529-34.7000110.1Q20 Y21 W24P13-Q20 HydrophobicContact CB-CB 4.47Å; P13-Q20 HydrophobicContact CB-CG 3.86Å; P13-Q20 HydrophobicContact CG-CG 4.07Å; P13-Y21 HydrophobicContact CG-CD2 4.29Å; P13-W24 HydrophobicContact CG-CB 3.87Å; P13-W24 HydrophobicContact CG-CG 4.2Å
14G63.4Low61.8Low21 Ų2197.8 Ų97.822%0.21653%0.527CS..PPolyproline II helixtrans-59.8152.3173.200000111.3T16G14-T16 PolarHBondContact O-N 3.03Å
15L66.1Low64Low116 Ų11695 Ų9561%0.60750%0.504SS*.THydrogen-bonded Turntrans-67.26.4179.6-62174.4000114D17 M18 Y21L15-D17 VanDerWaalsContact C-N 3.32Å; L15-M18 HydrophobicContact CB-CE 3.98Å; L15-M18 HydrophobicContact CD2-CE 4.03Å; L15-M18 WeakPolarHBondContact O-CE 3.44Å; L15-Y21 HydrophobicContact CD2-CD2 4.2Å; L15-Y21 HydrophobicContact CD2-CE1 4.46Å; L15-Y21 HydrophobicContact CD2-CE2 4.15Å; L15-Y21 HydrophobicContact CD2-CG 4.4Å
16T72.6Confident66.1Low142 Ų14292.1 Ų92.187%0.87149%0.49SS*.THydrogen-bonded Turntrans-74.3-22.6179.348.80000112.9G14G14-T16 PolarHBondContact O-N 3.03Å
17D80.8Confident68.6Low68 Ų6891 Ų9136%0.36448%0.481SS..  trans-125102.9174.3-174.9-17000110.1L15 Q19 Q20 Y21L15-D17 VanDerWaalsContact C-N 3.32Å; D17-Q19 VanDerWaalsContact C-N 3.32Å; D17-Q19 PolarHBondContact O-N 3.44Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.31Å; D17-Q19 PolarHBondContact OD1-N 3.37Å; D17-Q20 HydrophobicContact CB-CB 3.86Å; D17-Q20 PolarHBondContact O-N 3.38Å; D17-Q20 PolarHBondContact OD1-N 3.34Å; D17-Y21 WeakPolarHBondContact O-CB 3.4Å; D17-Y21 PolarHBondContact O-N 3.37Å
18M80.8Confident70.5Confident100 Ų10089.9 Ų89.949%0.49346%0.462SS..Hα-helixtrans-65.2-33179.2-75.2-65.6103.800113L15 Y21 Q22L15-M18 HydrophobicContact CB-CE 3.98Å; L15-M18 HydrophobicContact CD2-CE 4.03Å; L15-M18 WeakPolarHBondContact O-CE 3.44Å; M18-Y21 PolarHBondContact O-N 3.45Å; M18-Q22 WeakPolarHBondContact O-CB 3.39Å; M18-Q22 VanDerWaalsContact O-CG 3.26Å; M18-Q22 WeakPolarHBondContact O-CG 3.47Å; M18-Q22 PolarHBondContact O-N 3.25Å
19Q82.6Confident72.4Confident127 Ų12785.3 Ų85.359%0.59344%0.444SS*.Hα-helixtrans-71.6-42.9-179.9-173.5177.98.600110.3D17 Y21 Q22 Q23D17-Q19 VanDerWaalsContact C-N 3.32Å; D17-Q19 PolarHBondContact O-N 3.44Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.31Å; D17-Q19 PolarHBondContact OD1-N 3.37Å; Q19-Y21 VanDerWaalsContact C-N 3.34Å; Q19-Y21 PolarHBondContact O-N 3.09Å; Q19-Q22 PolarHBondContact O-N 3.47Å; Q19-Q23 WeakPolarHBondContact O-CG 3.45Å; Q19-Q23 PolarHBondContact O-N 3.3Å
20Q80.3Confident74.1Confident98 Ų9882.3 Ų82.346%0.45843%0.43SS..Hα-helixtrans-62.7-41.5174.6-166.8-17832.800111.6P13 D17 Q23 W24P13-Q20 HydrophobicContact CB-CB 4.47Å; P13-Q20 HydrophobicContact CB-CG 3.86Å; P13-Q20 HydrophobicContact CG-CG 4.07Å; D17-Q20 HydrophobicContact CB-CB 3.86Å; D17-Q20 PolarHBondContact O-N 3.38Å; D17-Q20 PolarHBondContact OD1-N 3.34Å; Q20-Q23 PolarHBondContact O-N 3.13Å; Q20-W24 WeakPolarHBondContact O-CB 3.29Å; Q20-W24 PolarHBondContact O-N 2.99Å
21Y75.6Confident75.7Confident75 Ų7581.5 Ų81.529%0.29443%0.434SS..Hα-helixtrans-63.4-42.2175.7-175.5-105.1000112.5P13 L15 D17 M18 Q19 W24 L25P13-Y21 HydrophobicContact CG-CD2 4.29Å; L15-Y21 HydrophobicContact CD2-CD2 4.2Å; L15-Y21 HydrophobicContact CD2-CE1 4.46Å; L15-Y21 HydrophobicContact CD2-CE2 4.15Å; L15-Y21 HydrophobicContact CD2-CG 4.4Å; D17-Y21 WeakPolarHBondContact O-CB 3.4Å; D17-Y21 PolarHBondContact O-N 3.37Å; M18-Y21 PolarHBondContact O-N 3.45Å; Q19-Y21 VanDerWaalsContact C-N 3.34Å; Q19-Y21 PolarHBondContact O-N 3.09Å; Y21-W24 HydrophobicContact CD2-CE3 4.42Å; Y21-W24 HydrophobicContact CE2-CE3 4.2Å; Y21-W24 HydrophobicContact CE2-CZ3 4.24Å; Y21-W24 PolarHBondContact O-N 3.46Å; Y21-L25 HydrophobicContact CD1-CD1 3.91Å; Y21-L25 HydrophobicContact CD1-CG 4.41Å; Y21-L25 HydrophobicContact CE1-CD1 3.44Å; Y21-L25 VanDerWaalsContact CE1-CD1 3.44Å; Y21-L25 HydrophobicContact CE1-CG 4.06Å; Y21-L25 WeakPolarHBondContact O-CG 3.43Å; Y21-L25 PolarHBondContact O-N 2.88Å
22Q79.2Confident77.1Confident125 Ų12581.1 Ų81.158%0.58443%0.432SS*.Hα-helixtrans-62.1-44.6174.4-76.9174.9-13.500112.3M18 Q19 W24 L25 S26M18-Q22 WeakPolarHBondContact O-CB 3.39Å; M18-Q22 VanDerWaalsContact O-CG 3.26Å; M18-Q22 WeakPolarHBondContact O-CG 3.47Å; M18-Q22 PolarHBondContact O-N 3.25Å; Q19-Q22 PolarHBondContact O-N 3.47Å; Q22-W24 VanDerWaalsContact C-N 3.34Å; Q22-W24 PolarHBondContact O-N 3.05Å; Q22-L25 PolarHBondContact O-N 3.42Å; Q22-S26 PolarHBondContact O-N 2.94Å; Q22-S26 PolarHBondContact O-OG 3.23Å
23Q79.9Confident78.7Confident119 Ų11980.8 Ų80.856%0.55643%0.426SS*.Hα-helixtrans-62.2-41.4176.1-73.3174.31.100112Q19 Q20 S26 S27Q19-Q23 WeakPolarHBondContact O-CG 3.45Å; Q19-Q23 PolarHBondContact O-N 3.3Å; Q20-Q23 PolarHBondContact O-N 3.13Å; Q23-S26 PolarHBondContact O-N 3.21Å; Q23-S27 WeakPolarHBondContact O-CB 3.18Å; Q23-S27 PolarHBondContact O-N 3Å
24W79.6Confident80Confident57 Ų5782.6 Ų82.622%0.21643%0.434CS..Hα-helixtrans-61.9-44.9175.6178.684.5000112.2G12 P13 Q20 Y21 Q22 S26 S27 R28G12-W24 VanDerWaalsContact CA-CE2 3.48Å; P13-W24 HydrophobicContact CG-CB 3.87Å; P13-W24 HydrophobicContact CG-CG 4.2Å; Q20-W24 WeakPolarHBondContact O-CB 3.29Å; Q20-W24 PolarHBondContact O-N 2.99Å; Y21-W24 HydrophobicContact CD2-CE3 4.42Å; Y21-W24 HydrophobicContact CE2-CE3 4.2Å; Y21-W24 HydrophobicContact CE2-CZ3 4.24Å; Y21-W24 PolarHBondContact O-N 3.46Å; Q22-W24 VanDerWaalsContact C-N 3.34Å; Q22-W24 PolarHBondContact O-N 3.05Å; W24-S26 PolarHBondContact O-N 2.93Å; W24-S27 PolarHBondContact O-N 2.63Å; W24-R28 WeakPolarHBondContact O-CB 3.47Å; W24-R28 PolarHBondContact O-N 3.46Å
25L77.3Confident81.6Confident48 Ų4881.7 Ų81.725%0.25142%0.424SS..Hα-helixtrans-60.4-46175.8-75.2177.2000112Y21 Q22 R28 H29Y21-L25 HydrophobicContact CD1-CD1 3.91Å; Y21-L25 HydrophobicContact CD1-CG 4.41Å; Y21-L25 HydrophobicContact CE1-CD1 3.44Å; Y21-L25 VanDerWaalsContact CE1-CD1 3.44Å; Y21-L25 HydrophobicContact CE1-CG 4.06Å; Y21-L25 WeakPolarHBondContact O-CG 3.43Å; Y21-L25 PolarHBondContact O-N 2.88Å; Q22-L25 PolarHBondContact O-N 3.42Å; L25-R28 PolarHBondContact O-N 3.34Å; L25-H29 VanDerWaalsContact O-CG 3.31Å; L25-H29 PolarHBondContact O-N 3.17Å; L25-H29 PolarHBondContact O-ND1 2.85Å
26S77.7Confident83.1Confident77 Ų7776.9 Ų76.954%0.53840%0.399SS..Hα-helixtrans-60.6-46.7178-64.90000111.8Q22 Q23 W24 R28 H29 E30Q22-S26 PolarHBondContact O-N 2.94Å; Q22-S26 PolarHBondContact O-OG 3.23Å; Q23-S26 PolarHBondContact O-N 3.21Å; W24-S26 PolarHBondContact O-N 2.93Å; S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact O-N 2.95Å; S26-H29 PolarHBondContact O-N 3.36Å; S26-E30 WeakPolarHBondContact O-CB 3.11Å; S26-E30 PolarHBondContact O-N 3.4Å
27S79.9Confident84.3Confident74 Ų7470.7 Ų70.752%0.51736%0.36SS..Hα-helixtrans-60.8-40.4176.7-178.70000111.9Q23 W24 E30 A31Q23-S27 WeakPolarHBondContact O-CB 3.18Å; Q23-S27 PolarHBondContact O-N 3Å; W24-S27 PolarHBondContact O-N 2.63Å; S27-E30 PolarHBondContact O-N 3.16Å; S27-A31 WeakPolarHBondContact O-CB 3.1Å; S27-A31 PolarHBondContact O-N 3.12Å
28R80.3Confident85.1Confident92 Ų9269 Ų6935%0.34735%0.35SS..Hα-helixtrans-66.9-42177.6-157.8-17687.485.1-0.4112.3W24 L25 S26 A31 S32W24-R28 WeakPolarHBondContact O-CB 3.47Å; W24-R28 PolarHBondContact O-N 3.46Å; L25-R28 PolarHBondContact O-N 3.34Å; S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact O-N 2.95Å; R28-A31 PolarHBondContact O-N 2.97Å; R28-S32 PolarHBondContact O-N 3.11Å; R28-S32 VanDerWaalsContact O-N 3.1Å
29H81.1Confident86Confident106 Ų10664.3 Ų64.349%0.49133%0.327SS..Hα-helixtrans-63.2-43.7174.8-69.6153.5000111.1L25 S26 S32 L33L25-H29 VanDerWaalsContact O-CG 3.31Å; L25-H29 PolarHBondContact O-N 3.17Å; L25-H29 PolarHBondContact O-ND1 2.85Å; S26-H29 PolarHBondContact O-N 3.36Å; H29-S32 PolarHBondContact O-N 3.12Å; H29-S32 PolarHBondContact O-OG 2.99Å; H29-L33 PolarHBondContact O-N 3.1Å
30E81.7Confident86.7Confident110 Ų11058.3 Ų58.351%0.51430%0.299SS..Hα-helixtrans-62-46.6175.9176.1159.5-138.400112.6S26 S27 S32 L33 L34 K37S26-E30 WeakPolarHBondContact O-CB 3.11Å; S26-E30 PolarHBondContact O-N 3.4Å; S27-E30 PolarHBondContact O-N 3.16Å; E30-S32 PolarHBondContact O-N 3.14Å; E30-L33 PolarHBondContact O-N 3.44Å; E30-L34 PolarHBondContact O-N 3.32Å; E30-L34 VanDerWaalsContact O-N 3.16Å; E30-K37 IonicContact OE1-NZ 3.66Å; E30-K37 PolarHBondContact OE1-NZ 3.04Å
31A84.7Confident87.6Confident59 Ų5953.7 Ų53.749%0.48828%0.278SS..Hα-helixtrans-58.6-36177.300000112.2S27 R28 L33 L34S27-A31 WeakPolarHBondContact O-CB 3.1Å; S27-A31 PolarHBondContact O-N 3.12Å; R28-A31 PolarHBondContact O-N 2.97Å; A31-L33 PolarHBondContact O-N 3.5Å; A31-L34 WeakPolarHBondContact O-CB 3.25Å; A31-L34 PolarHBondContact O-N 2.84Å
32S87.7Confident88.7Confident50 Ų5054 Ų5435%0.3528%0.284SS..Hα-helixtrans-67.4-24176.677.60000113.8R28 H29 E30R28-S32 PolarHBondContact O-N 3.11Å; R28-S32 VanDerWaalsContact O-N 3.1Å; H29-S32 PolarHBondContact O-N 3.12Å; H29-S32 PolarHBondContact O-OG 2.99Å; E30-S32 PolarHBondContact O-N 3.14Å
33L93.4Very high89.6Confident11 Ų1148.6 Ų48.66%0.05826%0.258CS..Hα-helixtrans-91.7-14.9178.7-65.5176000113.2H29 E30 A31 P35 M36 K37 P146 R147H29-L33 PolarHBondContact O-N 3.1Å; E30-L33 PolarHBondContact O-N 3.44Å; A31-L33 PolarHBondContact O-N 3.5Å; L33-P35 VanDerWaalsContact C-CD 3.43Å; L33-M36 HydrophobicContact CD2-SD 4.04Å; L33-M36 WeakPolarHBondContact O-CB 3.42Å; L33-M36 PolarHBondContact O-N 2.94Å; L33-K37 PolarHBondContact O-N 3.43Å; L33-P146 HydrophobicContact CD1-CB 3.95Å; L33-P146 HydrophobicContact CD1-CG 3.87Å; L33-R147 HydrophobicContact CD1-CB 4.01Å; L33-R147 HydrophobicContact CD2-CB 3.82Å; L33-R147 HydrophobicContact CD2-CG 3.87Å
34L95.7Very high90.5Very high59 Ų5943 Ų4331%0.30923%0.232SC..Hα-helixtrans-50.5-45.7-176.4-178.864.2000113.7E30 A31 M36 K37 E38 A54E30-L34 PolarHBondContact O-N 3.32Å; E30-L34 VanDerWaalsContact O-N 3.16Å; A31-L34 WeakPolarHBondContact O-CB 3.25Å; A31-L34 PolarHBondContact O-N 2.84Å; L34-M36 VanDerWaalsContact C-N 3.29Å; L34-M36 PolarHBondContact O-N 3.13Å; L34-K37 PolarHBondContact O-N 3.09Å; L34-E38 HydrophobicContact CD1-CG 4.15Å; L34-E38 HydrophobicContact CG-CG 4.48Å; L34-E38 WeakPolarHBondContact O-CG 3.46Å; L34-E38 PolarHBondContact O-N 3.44Å; L34-A54 HydrophobicContact CD1-CB 3.78Å
35P96.9Very high91.4Very high2 Ų241.3 Ų41.31%0.01323%0.229CC..Hα-helixtrans-61.4-37.4178-18.328.8000113.2L33 D39 L275 H279 M281 T290L33-P35 VanDerWaalsContact C-CD 3.43Å; P35-D39 WeakPolarHBondContact O-CB 3.42Å; P35-D39 PolarHBondContact O-N 2.89Å; P35-D39 VanDerWaalsContact O-N 3.13Å; P35-L275 HydrophobicContact CB-CD2 4.14Å; P35-H279 HydrophobicContact CB-CB 4Å; P35-H279 HydrophobicContact CG-CB 4.24Å; P35-M281 HydrophobicContact CB-CE 4.13Å; P35-M281 HydrophobicContact CB-SD 3.78Å; P35-M281 HydrophobicContact CG-SD 4.07Å; P35-T290 HydrophobicContact CG-CG2 3.53Å
36M97.1Very high92.4Very high16 Ų1644.7 Ų44.78%0.07925%0.247CC..Hα-helixtrans-71-43.1177.8-61.5173.474.500110.7L33 L34 D39 L40 C150 L151 L154 L170L33-M36 HydrophobicContact CD2-SD 4.04Å; L33-M36 WeakPolarHBondContact O-CB 3.42Å; L33-M36 PolarHBondContact O-N 2.94Å; L34-M36 VanDerWaalsContact C-N 3.29Å; L34-M36 PolarHBondContact O-N 3.13Å; M36-D39 PolarHBondContact O-N 3.21Å; M36-L40 WeakPolarHBondContact O-CB 3.21Å; M36-L40 VanDerWaalsContact O-CG 3.31Å; M36-L40 WeakPolarHBondContact O-CG 3.36Å; M36-L40 PolarHBondContact O-N 2.63Å; M36-C150 HydrophobicContact CB-CB 4.24Å; M36-C150 HydrophobicContact CE-CB 3.76Å; M36-L151 HydrophobicContact CE-CD2 3.68Å; M36-L151 HydrophobicContact CE-CG 4.23Å; M36-L154 HydrophobicContact CE-CD1 3.34Å; M36-L170 HydrophobicContact CB-CD1 4.48Å; M36-L170 HydrophobicContact CG-CD1 3.97Å
37K97.9Very high93.4Very high12 Ų1241.9 Ų41.95%0.05223%0.226CC..Hα-helixtrans-60.1-45.7175.9-72-175.8177.4-176.40111.1E30 L33 L34 L40 A41 A54 F57E30-K37 IonicContact OE1-NZ 3.66Å; E30-K37 PolarHBondContact OE1-NZ 3.04Å; L33-K37 PolarHBondContact O-N 3.43Å; L34-K37 PolarHBondContact O-N 3.09Å; K37-L40 PolarHBondContact O-N 3.12Å; K37-A41 WeakPolarHBondContact O-CB 3.44Å; K37-A41 PolarHBondContact O-N 3.44Å; K37-A54 HydrophobicContact CB-CB 3.95Å; K37-F57 HydrophobicContact CB-CG 4.44Å; K37-F57 HydrophobicContact CG-CD1 4.13Å; K37-F57 HydrophobicContact CG-CG 4.42Å
38E98.3Very high94.2Very high32 Ų3239.2 Ų39.215%0.1521%0.206CC..Hα-helixtrans-62.3-43.4177.9-75.1-179.1-170.600112.4L34 L42 A54 K278 H279L34-E38 HydrophobicContact CD1-CG 4.15Å; L34-E38 HydrophobicContact CG-CG 4.48Å; L34-E38 WeakPolarHBondContact O-CG 3.46Å; L34-E38 PolarHBondContact O-N 3.44Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 PolarHBondContact O-N 2.97Å; E38-A54 HydrophobicContact CB-CB 4.32Å; E38-A54 HydrophobicContact CG-CB 3.43Å; E38-A54 VanDerWaalsContact CG-CB 3.43Å; E38-K278 IonicContact OE1-NZ 3.6Å; E38-K278 PolarHBondContact OE1-NZ 3.02Å; E38-K278 IonicContact OE2-NZ 3Å; E38-H279 IonicContact OE1-NE2 2.8Å; E38-H279 IonicContact OE2-CD2 3.61Å; E38-H279 PolarHBondContact OE2-CD2 3.46Å; E38-H279 IonicContact OE2-CE1 2.77Å; E38-H279 IonicContact OE2-NE2 3.83Å; E38-H279 PolarHBondContact OE2-NE2 3.18Å
39D98.7Very high95Very high2 Ų238.1 Ų38.11%0.01122%0.223CC..Hα-helixtrans-64.7-46.9177.8-174.338000112.9P35 M36 L42 W43 P168 G169 L170 L275 H276P35-D39 WeakPolarHBondContact O-CB 3.42Å; P35-D39 PolarHBondContact O-N 2.89Å; P35-D39 VanDerWaalsContact O-N 3.13Å; M36-D39 PolarHBondContact O-N 3.21Å; D39-L42 PolarHBondContact O-N 3.29Å; D39-W43 WeakPolarHBondContact O-CB 3.34Å; D39-W43 PolarHBondContact O-N 3.42Å; D39-P168 VanDerWaalsContact OD2-CB 3.23Å; D39-P168 WeakPolarHBondContact OD2-CB 3.48Å; D39-G169 WeakPolarHBondContact OD1-CA 3.45Å; D39-G169 PolarHBondContact OD1-N 3.12Å; D39-G169 PolarHBondContact OD2-N 3.49Å; D39-L170 HydrophobicContact CB-CD1 4.44Å; D39-L170 WeakPolarHBondContact OD2-CB 3.32Å; D39-L170 WeakPolarHBondContact OD2-CG 3.18Å; D39-L170 PolarHBondContact OD2-N 3.39Å; D39-L275 HydrophobicContact CB-CD2 4.27Å; D39-H276 IonicContact OD1-CE1 3.5Å; D39-H276 PolarHBondContact OD1-CE1 3.38Å; D39-H276 IonicContact OD1-NE2 3.5Å; D39-H276 PolarHBondContact OD1-NE2 2.88Å
40L98.8Very high95.7Very high0 Ų036.2 Ų36.20%022%0.216CC..Hα-helixtrans-68.7-38.1178.3-69.9171.4000112M36 K37 L42 W43 L44 F57 C150 L153 L154 P168M36-L40 WeakPolarHBondContact O-CB 3.21Å; M36-L40 VanDerWaalsContact O-CG 3.31Å; M36-L40 WeakPolarHBondContact O-CG 3.36Å; M36-L40 PolarHBondContact O-N 2.63Å; K37-L40 PolarHBondContact O-N 3.12Å; L40-L42 VanDerWaalsContact C-N 3.35Å; L40-L42 PolarHBondContact O-N 3.06Å; L40-W43 HydrophobicContact CD2-CE3 4.18Å; L40-W43 PolarHBondContact O-N 3.5Å; L40-L44 VanDerWaalsContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 3.26Å; L40-F57 HydrophobicContact CB-CE2 3.58Å; L40-F57 HydrophobicContact CB-CZ 3.82Å; L40-F57 HydrophobicContact CD1-CZ 4.08Å; L40-C150 VanDerWaalsContact CD1-CA 3.47Å; L40-C150 HydrophobicContact CD1-CB 3.66Å; L40-C150 WeakPolarHBondContact CD1-O 3.17Å; L40-L153 HydrophobicContact CD1-CB 4.01Å; L40-L153 HydrophobicContact CD1-CD1 4.35Å; L40-L153 HydrophobicContact CD2-CB 3.76Å; L40-L153 HydrophobicContact CG-CB 4.49Å; L40-L154 HydrophobicContact CD1-CG 4.33Å; L40-L154 HydrophobicContact CD2-CD2 3.91Å; L40-L154 HydrophobicContact CD2-CG 4.07Å; L40-L154 HydrophobicContact CG-CD2 4.36Å; L40-L154 HydrophobicContact CG-CG 4.42Å; L40-P168 HydrophobicContact CD2-CB 4.46Å; L40-P168 HydrophobicContact CD2-CG 4.05Å
41A98.6Very high96.4Very high2 Ų238.4 Ų38.42%0.01723%0.227CC..Hα-helixtrans-57.8-49.5174.500000110.5K37 W43 L44 S45 I52 F57K37-A41 WeakPolarHBondContact O-CB 3.44Å; K37-A41 PolarHBondContact O-N 3.44Å; A41-W43 VanDerWaalsContact C-N 3.35Å; A41-W43 PolarHBondContact O-N 2.69Å; A41-L44 PolarHBondContact O-N 2.94Å; A41-S45 VanDerWaalsContact O-CB 3.27Å; A41-S45 WeakPolarHBondContact O-CB 3.46Å; A41-S45 PolarHBondContact O-N 2.84Å; A41-S45 PolarHBondContact O-OG 3.38Å; A41-I52 HydrophobicContact CB-CB 4.46Å; A41-I52 HydrophobicContact CB-CG2 3.98Å; A41-F57 HydrophobicContact CB-CD2 4.04Å
42L98.4Very high97.1Very high82 Ų8236.1 Ų36.143%0.42921%0.206SC..Hα-helixtrans-60-44.2176.1-178.862.3000112E38 D39 L40 S45 N46E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 PolarHBondContact O-N 2.97Å; D39-L42 PolarHBondContact O-N 3.29Å; L40-L42 VanDerWaalsContact C-N 3.35Å; L40-L42 PolarHBondContact O-N 3.06Å; L42-S45 PolarHBondContact O-N 3.43Å; L42-N46 PolarHBondContact O-N 3.4Å; L42-N46 PolarHBondContact O-ND2 3.02Å; L42-N46 VanDerWaalsContact O-ND2 3.17Å
43W98.6Very high97.5Very high11 Ų1136 Ų364%0.04220%0.203CC..Hα-helixtrans-63.8-48.4179179.967.9000112.7D39 L40 A41 S45 N46 I47 L70 L74 E166 P168D39-W43 WeakPolarHBondContact O-CB 3.34Å; D39-W43 PolarHBondContact O-N 3.42Å; L40-W43 HydrophobicContact CD2-CE3 4.18Å; L40-W43 PolarHBondContact O-N 3.5Å; A41-W43 VanDerWaalsContact C-N 3.35Å; A41-W43 PolarHBondContact O-N 2.69Å; W43-S45 VanDerWaalsContact C-N 3.33Å; W43-S45 PolarHBondContact O-N 3.06Å; W43-N46 PolarHBondContact O-N 3.47Å; W43-I47 HydrophobicContact CD2-CD1 3.95Å; W43-I47 HydrophobicContact CG-CD1 4.41Å; W43-I47 HydrophobicContact CH2-CD1 4.18Å; W43-I47 HydrophobicContact CZ2-CD1 3.37Å; W43-I47 VanDerWaalsContact NE1-CD1 3.3Å; W43-I47 WeakPolarHBondContact O-CG1 3.44Å; W43-I47 PolarHBondContact O-N 2.78Å; W43-L70 HydrophobicContact CH2-CD1 4.35Å; W43-L70 HydrophobicContact CZ3-CD1 4.45Å; W43-L70 HydrophobicContact CZ3-CD2 4.25Å; W43-L74 HydrophobicContact CH2-CD1 4.31Å; W43-E166 PolarHBondContact NE1-O 3.21Å; W43-P168 HydrophobicContact CB-CB 4.24Å; W43-P168 HydrophobicContact CB-CG 4.11Å; W43-P168 HydrophobicContact CD2-CG 3.62Å; W43-P168 HydrophobicContact CE3-CG 4.05Å; W43-P168 HydrophobicContact CG-CB 4.22Å; W43-P168 HydrophobicContact CG-CG 3.64Å
44L98.7Very high97.7Very high1 Ų135.7 Ų35.71%0.00520%0.202CC..Hα-helixtrans-62.4-41.9177-69.5176.5000111.1L40 A41 N46 I47 L48 I52 F57 L61 L70 L153L40-L44 VanDerWaalsContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 3.26Å; A41-L44 PolarHBondContact O-N 2.94Å; L44-N46 VanDerWaalsContact C-N 3.32Å; L44-N46 PolarHBondContact O-N 3.42Å; L44-I47 PolarHBondContact O-N 3.44Å; L44-L48 VanDerWaalsContact O-CB 3.3Å; L44-L48 WeakPolarHBondContact O-CB 3.49Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 2.9Å; L44-I52 HydrophobicContact CB-CD1 3.76Å; L44-I52 HydrophobicContact CD1-CD1 4.37Å; L44-F57 HydrophobicContact CD1-CE2 3.7Å; L44-F57 HydrophobicContact CD1-CZ 4.33Å; L44-L61 HydrophobicContact CD1-CD1 4.12Å; L44-L61 HydrophobicContact CD1-CD2 4.16Å; L44-L70 HydrophobicContact CD2-CD1 3.87Å; L44-L70 HydrophobicContact CD2-CD2 3.53Å; L44-L70 HydrophobicContact CD2-CG 4.21Å; L44-L153 HydrophobicContact CD1-CD1 4.34Å
45S98.4Very high97.7Very high21 Ų2139.6 Ų39.615%0.14722%0.219CC..Hα-helixtrans-57.2-46.3176.1-83.10000112.7A41 L42 W43 G49 L50 I52A41-S45 VanDerWaalsContact O-CB 3.27Å; A41-S45 WeakPolarHBondContact O-CB 3.46Å; A41-S45 PolarHBondContact O-N 2.84Å; A41-S45 PolarHBondContact O-OG 3.38Å; L42-S45 PolarHBondContact O-N 3.43Å; W43-S45 VanDerWaalsContact C-N 3.33Å; W43-S45 PolarHBondContact O-N 3.06Å; S45-G49 WeakPolarHBondContact O-CA 3.41Å; S45-G49 PolarHBondContact O-N 2.6Å; S45-L50 WeakPolarHBondContact CA-O 3.2Å; S45-L50 WeakPolarHBondContact CB-O 3.24Å; S45-L50 PolarHBondContact O-N 2.95Å; S45-L50 PolarHBondContact OG-O 3.46Å; S45-I52 PolarHBondContact OG-N 3.49Å; S45-I52 PolarHBondContact OG-O 3.47Å
46N98Very high97.7Very high119 Ų11940.9 Ų40.964%0.63623%0.228SC*.Hα-helixtrans-67.6-36.4178.7-69.2-24.5000112.5L42 W43 L44L42-N46 PolarHBondContact O-N 3.4Å; L42-N46 PolarHBondContact O-ND2 3.02Å; L42-N46 VanDerWaalsContact O-ND2 3.17Å; W43-N46 PolarHBondContact O-N 3.47Å; L44-N46 VanDerWaalsContact C-N 3.32Å; L44-N46 PolarHBondContact O-N 3.42Å
47I97.6Very high97.7Very high18 Ų1840.1 Ų40.19%0.09222%0.224CC..Hα-helixtrans-75.9-41-179.4-71.3-173.8000112.1W43 L44 L70 T73 L74 V165W43-I47 HydrophobicContact CD2-CD1 3.95Å; W43-I47 HydrophobicContact CG-CD1 4.41Å; W43-I47 HydrophobicContact CH2-CD1 4.18Å; W43-I47 HydrophobicContact CZ2-CD1 3.37Å; W43-I47 VanDerWaalsContact NE1-CD1 3.3Å; W43-I47 WeakPolarHBondContact O-CG1 3.44Å; W43-I47 PolarHBondContact O-N 2.78Å; L44-I47 PolarHBondContact O-N 3.44Å; I47-L70 HydrophobicContact CB-CD1 4.44Å; I47-L70 HydrophobicContact CD1-CD1 4.44Å; I47-L70 HydrophobicContact CG2-CD1 3.75Å; I47-T73 HydrophobicContact CG2-CG2 3.76Å; I47-L74 HydrophobicContact CD1-CD2 4.09Å; I47-V165 HydrophobicContact CD1-CG1 4Å
48L97.6Very high97.7Very high19 Ų1940 Ų4010%0.09922%0.224CC..Hα-helixtrans-91.3-14.3-174.3-62.2176.1000113.2L44 L50 I52 L66 Q69 L70L44-L48 VanDerWaalsContact O-CB 3.3Å; L44-L48 WeakPolarHBondContact O-CB 3.49Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 2.9Å; L48-L50 HydrophobicContact CB-CB 4.5Å; L48-L50 HydrophobicContact CB-CD1 4.21Å; L48-L50 HydrophobicContact CB-CG 4.35Å; L48-I52 HydrophobicContact CD1-CD1 4.43Å; L48-L66 HydrophobicContact CD1-CB 4.28Å; L48-L66 HydrophobicContact CD1-CD2 4.48Å; L48-Q69 HydrophobicContact CD2-CB 4.32Å; L48-Q69 HydrophobicContact CD2-CG 3.98Å; L48-L70 HydrophobicContact CD2-CB 4.25Å
49G96.9Very high97.7Very high68 Ų6843.3 Ų43.370%0.70124%0.243SC*.THydrogen-bonded Turntrans68.633.3-175.200000113S45S45-G49 WeakPolarHBondContact O-CA 3.41Å; S45-G49 PolarHBondContact O-N 2.6Å
50L95.9Very high97.6Very high67 Ų6747.6 Ų47.635%0.35126%0.259SS..SBendtrans-131.3150.6-176.3-64.1171.8000110.4S45 L48 I52 L66S45-L50 WeakPolarHBondContact CA-O 3.2Å; S45-L50 WeakPolarHBondContact CB-O 3.24Å; S45-L50 PolarHBondContact O-N 2.95Å; S45-L50 PolarHBondContact OG-O 3.46Å; L48-L50 HydrophobicContact CB-CB 4.5Å; L48-L50 HydrophobicContact CB-CD1 4.21Å; L48-L50 HydrophobicContact CB-CG 4.35Å; L50-I52 PolarHBondContact O-N 2.76Å; L50-L66 HydrophobicContact CD1-CD2 3.72Å
51E96.9Very high97.6Very high156 Ų15647.7 Ų47.773%0.72926%0.259SS*.  trans-80122.9173.2-169178-170.900110.6R60E51-R60 PolarHBondContact O-NH1 3.22Å; E51-R60 PolarHBondContact O-NH2 2.94Å; E51-R60 VanDerWaalsContact O-NH2 3.17Å
52I98.1Very high97.6Very high10 Ų1048.2 Ų48.25%0.05126%0.262CS..  trans-133.1133.2173-58.2172.5000105.6A41 L44 S45 L48 L50 F57 L66A41-I52 HydrophobicContact CB-CB 4.46Å; A41-I52 HydrophobicContact CB-CG2 3.98Å; L44-I52 HydrophobicContact CB-CD1 3.76Å; L44-I52 HydrophobicContact CD1-CD1 4.37Å; S45-I52 PolarHBondContact OG-N 3.49Å; S45-I52 PolarHBondContact OG-O 3.47Å; L48-I52 HydrophobicContact CD1-CD1 4.43Å; L50-I52 PolarHBondContact O-N 2.76Å; I52-F57 HydrophobicContact CG2-CD2 4.2Å; I52-L66 HydrophobicContact CD1-CD1 4.12Å
53T97.9Very high97.6Very high47 Ų4746 Ų4629%0.28825%0.25SS..  trans-114.9169.4176.576.30000109.9E55 S56 F57T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 WeakPolarHBondContact CB-OE2 3.3Å; T53-E55 PolarHBondContact O-N 3.08Å; T53-E55 PolarHBondContact OG1-N 2.78Å; T53-E55 PolarHBondContact OG1-OE2 3.39Å; T53-S56 PolarHBondContact N-OG 3.47Å; T53-S56 PolarHBondContact O-N 3.14Å; T53-S56 PolarHBondContact O-OG 2.91Å; T53-S56 PolarHBondContact OG1-N 3.05Å; T53-S56 PolarHBondContact OG1-OG 3.27Å; T53-F57 WeakPolarHBondContact O-CA 3.41Å; T53-F57 WeakPolarHBondContact O-CB 3.4Å; T53-F57 PolarHBondContact O-N 3.39Å
54A96.8Very high97.6Very high6 Ų645.4 Ų45.45%0.0525%0.248CC..THydrogen-bonded Turntrans-66-32.1177.100000112.9L34 K37 E38 F57L34-A54 HydrophobicContact CD1-CB 3.78Å; K37-A54 HydrophobicContact CB-CB 3.95Å; E38-A54 HydrophobicContact CB-CB 4.32Å; E38-A54 HydrophobicContact CG-CB 3.43Å; E38-A54 VanDerWaalsContact CG-CB 3.43Å; A54-F57 WeakPolarHBondContact O-CB 3.33Å
55E95.1Very high97.5Very high141 Ų14147.4 Ų47.466%0.65926%0.257SS*.THydrogen-bonded Turntrans-70.2-42.1178.5-57.672-157.400110.8T53 F57T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 WeakPolarHBondContact CB-OE2 3.3Å; T53-E55 PolarHBondContact O-N 3.08Å; T53-E55 PolarHBondContact OG1-N 2.78Å; T53-E55 PolarHBondContact OG1-OE2 3.39Å; E55-F57 VanDerWaalsContact C-N 3.33Å
56S96.6Very high97.5Very high29 Ų2946.9 Ų46.920%0.20325%0.252CS..THydrogen-bonded Turntrans-87.4-1.6179.458.80000113.7T53 M58 D59 R60T53-S56 PolarHBondContact N-OG 3.47Å; T53-S56 PolarHBondContact O-N 3.14Å; T53-S56 PolarHBondContact O-OG 2.91Å; T53-S56 PolarHBondContact OG1-N 3.05Å; T53-S56 PolarHBondContact OG1-OG 3.27Å; S56-M58 PolarHBondContact O-N 2.82Å; S56-D59 PolarHBondContact O-N 2.61Å; S56-R60 VanDerWaalsContact O-CB 3.29Å; S56-R60 WeakPolarHBondContact O-CB 3.01Å; S56-R60 WeakPolarHBondContact O-CG 3.37Å; S56-R60 PolarHBondContact O-N 3.25Å
57F98Very high97.6Very high0 Ų041.3 Ų41.30%022%0.222CC..Hα-helixtrans-56.1-51.1-167.9-177-96.9000112.9K37 L40 A41 L44 I52 T53 A54 E55 L61 V149 L153K37-F57 HydrophobicContact CB-CG 4.44Å; K37-F57 HydrophobicContact CG-CD1 4.13Å; K37-F57 HydrophobicContact CG-CG 4.42Å; L40-F57 HydrophobicContact CB-CE2 3.58Å; L40-F57 HydrophobicContact CB-CZ 3.82Å; L40-F57 HydrophobicContact CD1-CZ 4.08Å; A41-F57 HydrophobicContact CB-CD2 4.04Å; L44-F57 HydrophobicContact CD1-CE2 3.7Å; L44-F57 HydrophobicContact CD1-CZ 4.33Å; I52-F57 HydrophobicContact CG2-CD2 4.2Å; T53-F57 WeakPolarHBondContact O-CA 3.41Å; T53-F57 WeakPolarHBondContact O-CB 3.4Å; T53-F57 PolarHBondContact O-N 3.39Å; A54-F57 WeakPolarHBondContact O-CB 3.33Å; E55-F57 VanDerWaalsContact C-N 3.33Å; F57-L61 HydrophobicContact CD1-CD1 4.13Å; F57-L61 HydrophobicContact CD2-CD1 4.33Å; F57-L61 HydrophobicContact CE1-CD1 3.72Å; F57-L61 HydrophobicContact CE2-CD1 3.95Å; F57-L61 HydrophobicContact CG-CD1 4.43Å; F57-L61 HydrophobicContact CZ-CD1 3.63Å; F57-L61 WeakPolarHBondContact O-CG 3.22Å; F57-L61 PolarHBondContact O-N 2.74Å; F57-V149 HydrophobicContact CE1-CG1 4.28Å; F57-L153 HydrophobicContact CZ-CD1 3.71Å
58M97.8Very high97.6Very high9 Ų940.5 Ų40.54%0.04422%0.218CC..Hα-helixtrans-71.6-47.1-178.4-66.5-62.6-64.600111.1S56 R60 L61 D62 L140 H143 P146S56-M58 PolarHBondContact O-N 2.82Å; M58-R60 PolarHBondContact O-N 2.77Å; M58-L61 PolarHBondContact O-N 3.34Å; M58-D62 WeakPolarHBondContact O-CB 3.47Å; M58-D62 PolarHBondContact O-N 3.08Å; M58-L140 HydrophobicContact CE-CD1 3.85Å; M58-L140 HydrophobicContact SD-CD1 4.49Å; M58-H143 WeakPolarHBondContact CB-ND1 3.41Å; M58-H143 HydrophobicContact CE-CB 4.32Å; M58-P146 HydrophobicContact CE-CB 3.96Å; M58-P146 HydrophobicContact CG-CB 4.46Å; M58-P146 HydrophobicContact SD-CB 3.85Å
59D97.8Very high97.6Very high102 Ų10242.3 Ų42.355%0.54523%0.226SC..Hα-helixtrans-57.9-34.6179.9-62-47.5000112.9S56 D62 H143S56-D59 PolarHBondContact O-N 2.61Å; D59-D62 VanDerWaalsContact O-OD1 3.06Å; D59-H143 IonicContact OD1-CE1 2.69Å; D59-H143 PolarHBondContact OD1-CE1 3.29Å; D59-H143 VanDerWaalsContact OD1-CE1 3.24Å
60R98Very high97.7Very high92 Ų9239 Ų3935%0.34719%0.193SC..Hα-helixtrans-78.4-23.7-179.6-70.2-69.9-65.5-73.9-7.9113.1E51 S56 M58 L66E51-R60 PolarHBondContact O-NH1 3.22Å; E51-R60 PolarHBondContact O-NH2 2.94Å; E51-R60 VanDerWaalsContact O-NH2 3.17Å; S56-R60 VanDerWaalsContact O-CB 3.29Å; S56-R60 WeakPolarHBondContact O-CB 3.01Å; S56-R60 WeakPolarHBondContact O-CG 3.37Å; S56-R60 PolarHBondContact O-N 3.25Å; M58-R60 PolarHBondContact O-N 2.77Å; R60-L66 HydrophobicContact CB-CD1 4.18Å; R60-L66 WeakPolarHBondContact O-CD1 3.44Å
61L98.4Very high97.7Very high1 Ų135.9 Ų35.91%0.00518%0.176CC..Hα-helixtrans-95.8-21.7-178.5-64.4-179.5000112.6L44 F57 M58 N63 G64 L66 L67 L140 L153L44-L61 HydrophobicContact CD1-CD1 4.12Å; L44-L61 HydrophobicContact CD1-CD2 4.16Å; F57-L61 HydrophobicContact CD1-CD1 4.13Å; F57-L61 HydrophobicContact CD2-CD1 4.33Å; F57-L61 HydrophobicContact CE1-CD1 3.72Å; F57-L61 HydrophobicContact CE2-CD1 3.95Å; F57-L61 HydrophobicContact CG-CD1 4.43Å; F57-L61 HydrophobicContact CZ-CD1 3.63Å; F57-L61 WeakPolarHBondContact O-CG 3.22Å; F57-L61 PolarHBondContact O-N 2.74Å; M58-L61 PolarHBondContact O-N 3.34Å; L61-N63 VanDerWaalsContact C-N 3.26Å; L61-N63 PolarHBondContact O-N 2.89Å; L61-N63 VanDerWaalsContact O-N 3.15Å; L61-G64 WeakPolarHBondContact O-CA 3.47Å; L61-G64 PolarHBondContact O-N 3.14Å; L61-L66 HydrophobicContact CD2-CB 3.88Å; L61-L66 HydrophobicContact CD2-CD1 4.41Å; L61-L67 HydrophobicContact CD1-CD2 4.37Å; L61-L67 HydrophobicContact CD2-CD2 3.94Å; L61-L67 HydrophobicContact CD2-CG 4.28Å; L61-L140 HydrophobicContact CB-CD1 3.97Å; L61-L140 WeakPolarHBondContact O-CD2 3.46Å; L61-L153 HydrophobicContact CD1-CD1 4.22Å
62D98.3Very high97.7Very high13 Ų1332 Ų327%0.0716%0.158CC..THydrogen-bonded Turntrans-68.5-14.8-165.671.89.3000116.3M58 D59 G64 S108 V141 H143M58-D62 WeakPolarHBondContact O-CB 3.47Å; M58-D62 PolarHBondContact O-N 3.08Å; D59-D62 VanDerWaalsContact O-OD1 3.06Å; D62-G64 VanDerWaalsContact C-N 3.27Å; D62-S108 VanDerWaalsContact OD1-CB 3.28Å; D62-S108 WeakPolarHBondContact OD1-CB 3.33Å; D62-S108 PolarHBondContact OD1-OG 3.05Å; D62-S108 VanDerWaalsContact OD1-OG 3.05Å; D62-S108 PolarHBondContact OD2-OG 3.41Å; D62-V141 WeakPolarHBondContact O-CG2 3.5Å; D62-H143 VanDerWaalsContact CB-NE2 3.34Å; D62-H143 WeakPolarHBondContact CB-NE2 3.28Å; D62-H143 IonicContact OD2-CD2 2.74Å; D62-H143 IonicContact OD2-CE1 2.82Å; D62-H143 IonicContact OD2-NE2 2.61Å; D62-H143 PolarHBondContact OD2-NE2 3.47Å
63N97.9Very high97.6Very high35 Ų3533.3 Ų33.319%0.18717%0.167CC..THydrogen-bonded Turntrans-84.2-4.7170.178.8-1000113L61 F65 A106 A113 N116L61-N63 VanDerWaalsContact C-N 3.26Å; L61-N63 PolarHBondContact O-N 2.89Å; L61-N63 VanDerWaalsContact O-N 3.15Å; N63-F65 PolarHBondContact O-N 3.41Å; N63-F65 WeakPolarHBondContact OD1-CB 3.17Å; N63-F65 PolarHBondContact OD1-N 2.86Å; N63-A106 WeakPolarHBondContact CB-O 3.43Å; N63-A113 WeakPolarHBondContact O-CA 3.34Å; N63-N116 PolarHBondContact O-ND2 3.38Å
64G98.3Very high97.5Very high0 Ų031.1 Ų31.10%015%0.153CC..SBendtrans74.1-7.1179.600000115.5L61 D62 L67 C68L61-G64 WeakPolarHBondContact O-CA 3.47Å; L61-G64 PolarHBondContact O-N 3.14Å; D62-G64 VanDerWaalsContact C-N 3.27Å; G64-L67 PolarHBondContact O-N 3.27Å; G64-C68 PolarHBondContact O-N 2.69Å
65F98.1Very high97.4Very high42 Ų4231.8 Ų31.818%0.18416%0.155CC..Hα-helixtrans-67.1-48.7-173.7172.6-103.4000112.8N63 L67 C68 Q69 Q104N63-F65 PolarHBondContact O-N 3.41Å; N63-F65 WeakPolarHBondContact OD1-CB 3.17Å; N63-F65 PolarHBondContact OD1-N 2.86Å; F65-L67 PolarHBondContact O-N 3.4Å; F65-C68 PolarHBondContact O-N 2.9Å; F65-Q69 PolarHBondContact O-N 3.05Å; F65-Q104 HydrophobicContact CD1-CG 3.98Å; F65-Q104 HydrophobicContact CD2-CB 3.62Å; F65-Q104 HydrophobicContact CD2-CG 3.9Å; F65-Q104 HydrophobicContact CE1-CG 3.79Å; F65-Q104 HydrophobicContact CE2-CB 3.52Å; F65-Q104 HydrophobicContact CE2-CG 3.7Å; F65-Q104 HydrophobicContact CG-CB 4.16Å; F65-Q104 HydrophobicContact CG-CG 4.03Å; F65-Q104 HydrophobicContact CZ-CB 4Å; F65-Q104 HydrophobicContact CZ-CG 3.64Å
66L98.3Very high97.3Very high11 Ų1128.7 Ų28.76%0.05814%0.141CC..Hα-helixtrans-64.8-27.5-179.4-66.2-173.2000112.4L48 L50 I52 R60 L61 L70L48-L66 HydrophobicContact CD1-CB 4.28Å; L48-L66 HydrophobicContact CD1-CD2 4.48Å; L50-L66 HydrophobicContact CD1-CD2 3.72Å; I52-L66 HydrophobicContact CD1-CD1 4.12Å; R60-L66 HydrophobicContact CB-CD1 4.18Å; R60-L66 WeakPolarHBondContact O-CD1 3.44Å; L61-L66 HydrophobicContact CD2-CB 3.88Å; L61-L66 HydrophobicContact CD2-CD1 4.41Å; L66-L70 VanDerWaalsContact O-CB 3.3Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 PolarHBondContact O-N 2.94Å
67L98.6Very high97.1Very high1 Ų130.5 Ų30.51%0.00515%0.145CC..Hα-helixtrans-69.7-44.2174.4-66.3-175.6000111.8L61 G64 F65 Q69 L70 A71 T117 F120 F135 L140 L153L61-L67 HydrophobicContact CD1-CD2 4.37Å; L61-L67 HydrophobicContact CD2-CD2 3.94Å; L61-L67 HydrophobicContact CD2-CG 4.28Å; G64-L67 PolarHBondContact O-N 3.27Å; F65-L67 PolarHBondContact O-N 3.4Å; L67-Q69 VanDerWaalsContact C-N 3.34Å; L67-L70 WeakPolarHBondContact O-CB 3.44Å; L67-L70 PolarHBondContact O-N 2.82Å; L67-A71 PolarHBondContact O-N 3.41Å; L67-T117 HydrophobicContact CD1-CG2 4.49Å; L67-F120 HydrophobicContact CB-CB 4.03Å; L67-F120 HydrophobicContact CB-CD1 3.87Å; L67-F120 HydrophobicContact CB-CD2 3.74Å; L67-F120 HydrophobicContact CB-CE1 4.2Å; L67-F120 HydrophobicContact CB-CE2 4.07Å; L67-F120 HydrophobicContact CB-CG 3.6Å; L67-F120 HydrophobicContact CB-CZ 4.27Å; L67-F120 HydrophobicContact CD1-CD1 3.79Å; L67-F120 HydrophobicContact CD1-CE1 3.92Å; L67-F120 HydrophobicContact CD1-CG 4.36Å; L67-F120 HydrophobicContact CD2-CE1 4.18Å; L67-F120 HydrophobicContact CD2-CE2 4.49Å; L67-F120 HydrophobicContact CD2-CZ 4.08Å; L67-F120 HydrophobicContact CG-CD1 4.33Å; L67-F120 HydrophobicContact CG-CE1 4.35Å; L67-F120 WeakPolarHBondContact O-CD2 3.34Å; L67-F120 WeakPolarHBondContact O-CE2 3.35Å; L67-F135 HydrophobicContact CD1-CZ 3.95Å; L67-L140 HydrophobicContact CD1-CD2 3.27Å; L67-L140 HydrophobicContact CG-CD2 4.41Å; L67-L153 HydrophobicContact CD2-CD2 3.98Å
68C98.2Very high96.9Very high1 Ų130.6 Ų30.61%0.00715%0.145CC..Hα-helixtrans-62.7-42.1172.9-680000111.7G64 F65 L70 A71 E72 I100 C102 N116G64-C68 PolarHBondContact O-N 2.69Å; F65-C68 PolarHBondContact O-N 2.9Å; C68-L70 VanDerWaalsContact C-N 3.33Å; C68-L70 PolarHBondContact O-N 3.14Å; C68-A71 PolarHBondContact O-N 2.97Å; C68-E72 PolarHBondContact O-N 3.08Å; C68-I100 HydrophobicContact CB-CG2 4.05Å; C68-C102 HydrophobicContact CB-CB 3.57Å; C68-C102 WeakPolarHBondContact CB-SG 3.44Å; C68-N116 PolarHBondContact SG-O 3.12Å
69Q97.7Very high96.5Very high57 Ų5736.4 Ų36.427%0.26617%0.167SC..Hα-helixtrans-61.9-40.4175.9-169.8-176.43.700112L48 F65 L67 E72 T73L48-Q69 HydrophobicContact CD2-CB 4.32Å; L48-Q69 HydrophobicContact CD2-CG 3.98Å; F65-Q69 PolarHBondContact O-N 3.05Å; L67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-E72 PolarHBondContact O-N 3.42Å; Q69-T73 WeakPolarHBondContact O-CB 3.33Å; Q69-T73 PolarHBondContact O-N 3.01Å; Q69-T73 PolarHBondContact O-OG1 3.32Å
70L98.3Very high96Very high0 Ų036.4 Ų36.40%016%0.163CC..Hα-helixtrans-58.7-48.1173173.668.4000110.9W43 L44 I47 L48 L66 L67 C68 T73 L74 F120 L153W43-L70 HydrophobicContact CH2-CD1 4.35Å; W43-L70 HydrophobicContact CZ3-CD1 4.45Å; W43-L70 HydrophobicContact CZ3-CD2 4.25Å; L44-L70 HydrophobicContact CD2-CD1 3.87Å; L44-L70 HydrophobicContact CD2-CD2 3.53Å; L44-L70 HydrophobicContact CD2-CG 4.21Å; I47-L70 HydrophobicContact CB-CD1 4.44Å; I47-L70 HydrophobicContact CD1-CD1 4.44Å; I47-L70 HydrophobicContact CG2-CD1 3.75Å; L48-L70 HydrophobicContact CD2-CB 4.25Å; L66-L70 VanDerWaalsContact O-CB 3.3Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 PolarHBondContact O-N 2.94Å; L67-L70 WeakPolarHBondContact O-CB 3.44Å; L67-L70 PolarHBondContact O-N 2.82Å; C68-L70 VanDerWaalsContact C-N 3.33Å; C68-L70 PolarHBondContact O-N 3.14Å; L70-T73 PolarHBondContact O-N 3.38Å; L70-L74 HydrophobicContact CD1-CD1 3.92Å; L70-L74 HydrophobicContact CD1-CG 4.01Å; L70-L74 HydrophobicContact CG-CD1 3.93Å; L70-L74 HydrophobicContact CG-CG 4.34Å; L70-L74 WeakPolarHBondContact O-CB 3.49Å; L70-L74 WeakPolarHBondContact O-CG 3.48Å; L70-L74 PolarHBondContact O-N 2.91Å; L70-F120 HydrophobicContact CD2-CE2 4.46Å; L70-L153 HydrophobicContact CD2-CD2 3.73Å
71A97.8Very high95.4Very high0 Ų032.8 Ų32.80%015%0.152CC..Hα-helixtrans-62.5-43.2-179.800000112.4L67 C68 T73 L74 Q75 I100 F120 W123L67-A71 PolarHBondContact O-N 3.41Å; C68-A71 PolarHBondContact O-N 2.97Å; A71-T73 PolarHBondContact O-N 3.31Å; A71-L74 PolarHBondContact O-N 3.16Å; A71-Q75 VanDerWaalsContact O-CB 3.25Å; A71-Q75 WeakPolarHBondContact O-CB 3.38Å; A71-Q75 PolarHBondContact O-N 2.86Å; A71-I100 HydrophobicContact CB-CD1 3.2Å; A71-F120 HydrophobicContact CB-CD2 3.86Å; A71-F120 HydrophobicContact CB-CE2 4.21Å; A71-W123 HydrophobicContact CB-CD2 3.5Å; A71-W123 VanDerWaalsContact CB-CD2 3.5Å; A71-W123 HydrophobicContact CB-CE3 3.35Å; A71-W123 HydrophobicContact CB-CG 4.1Å; A71-W123 HydrophobicContact CB-CH2 3.98Å; A71-W123 HydrophobicContact CB-CZ2 4.09Å; A71-W123 HydrophobicContact CB-CZ3 3.61Å; A71-W123 VanDerWaalsContact O-CZ2 3.24Å; A71-W123 WeakPolarHBondContact O-CZ2 3.37Å
72E95.7Very high94.1Very high74 Ų7435.5 Ų35.535%0.34617%0.167SC..Hα-helixtrans-61.1-44.1173.2-69.7-173.5161.100111.9C68 Q69 Q75 E76 I100C68-E72 PolarHBondContact O-N 3.08Å; Q69-E72 PolarHBondContact O-N 3.42Å; E72-Q75 PolarHBondContact O-N 3.37Å; E72-E76 PolarHBondContact O-N 3.32Å; E72-E76 VanDerWaalsContact O-N 3.12Å; E72-I100 HydrophobicContact CG-CB 4.34Å; E72-I100 HydrophobicContact CG-CD1 4.18Å; E72-I100 HydrophobicContact CG-CG1 4.31Å; E72-I100 PolarHBondContact OE1-N 3.09Å
73T96.3Very high92.3Very high39 Ų3938 Ų3824%0.23920%0.196CC..Hα-helixtrans-63.3-44.1178.9-56.80000111.8I47 Q69 L70 A71 K77I47-T73 HydrophobicContact CG2-CG2 3.76Å; Q69-T73 WeakPolarHBondContact O-CB 3.33Å; Q69-T73 PolarHBondContact O-N 3.01Å; Q69-T73 PolarHBondContact O-OG1 3.32Å; L70-T73 PolarHBondContact O-N 3.38Å; A71-T73 PolarHBondContact O-N 3.31Å; T73-K77 WeakPolarHBondContact O-CG 3.39Å; T73-K77 PolarHBondContact O-N 3.18Å; T73-K77 VanDerWaalsContact O-N 3.11Å
74L96Very high90.2Very high0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-67.9-43.5178.5-73.9178.8000111.5W43 I47 L70 A71 E76 K77 F78 W123 A160 V165W43-L74 HydrophobicContact CH2-CD1 4.31Å; I47-L74 HydrophobicContact CD1-CD2 4.09Å; L70-L74 HydrophobicContact CD1-CD1 3.92Å; L70-L74 HydrophobicContact CD1-CG 4.01Å; L70-L74 HydrophobicContact CG-CD1 3.93Å; L70-L74 HydrophobicContact CG-CG 4.34Å; L70-L74 WeakPolarHBondContact O-CB 3.49Å; L70-L74 WeakPolarHBondContact O-CG 3.48Å; L70-L74 PolarHBondContact O-N 2.91Å; A71-L74 PolarHBondContact O-N 3.16Å; L74-E76 VanDerWaalsContact C-N 3.26Å; L74-E76 PolarHBondContact O-N 3.21Å; L74-K77 PolarHBondContact O-N 3.44Å; L74-K77 VanDerWaalsContact O-N 3.16Å; L74-F78 HydrophobicContact CB-CE1 4.09Å; L74-F78 HydrophobicContact CB-CE2 4.29Å; L74-F78 HydrophobicContact CB-CZ 3.85Å; L74-F78 HydrophobicContact CD1-CZ 4.49Å; L74-F78 HydrophobicContact CD2-CE1 4.14Å; L74-F78 HydrophobicContact CD2-CZ 4.36Å; L74-F78 HydrophobicContact CG-CZ 4.47Å; L74-F78 WeakPolarHBondContact O-CD1 3.09Å; L74-F78 WeakPolarHBondContact O-CG 3.42Å; L74-F78 PolarHBondContact O-N 3.32Å; L74-W123 HydrophobicContact CB-CH2 3.88Å; L74-W123 HydrophobicContact CB-CZ2 4.34Å; L74-W123 HydrophobicContact CD1-CH2 4.18Å; L74-A160 HydrophobicContact CD2-CB 3.97Å; L74-V165 HydrophobicContact CD2-CG1 4.02Å; L74-V165 HydrophobicContact CD2-CG2 4.42Å
75Q94.1Very high87.8Confident20 Ų2047.4 Ų47.49%0.09325%0.246CC..Hα-helixtrans-54.9-44.3176.6-177.1170.2-78.200111.5A71 E72 F78 R79 P96 R98 W123A71-Q75 VanDerWaalsContact O-CB 3.25Å; A71-Q75 WeakPolarHBondContact O-CB 3.38Å; A71-Q75 PolarHBondContact O-N 2.86Å; E72-Q75 PolarHBondContact O-N 3.37Å; Q75-F78 PolarHBondContact O-N 3.09Å; Q75-R79 PolarHBondContact O-N 2.8Å; Q75-R79 VanDerWaalsContact O-N 3.09Å; Q75-P96 WeakPolarHBondContact CG-O 3.47Å; Q75-P96 PolarHBondContact OE1-O 2.75Å; Q75-R98 PolarHBondContact NE2-O 2.95Å; Q75-W123 HydrophobicContact CB-CZ2 4.12Å
76E92.6Very high85.3Confident76 Ų7654.4 Ų54.436%0.35528%0.279SS..Hα-helixtrans-66.3-43.2177.5178.451-153.500112.3E72 L74 F78 R79 Q80E72-E76 PolarHBondContact O-N 3.32Å; E72-E76 VanDerWaalsContact O-N 3.12Å; L74-E76 VanDerWaalsContact C-N 3.26Å; L74-E76 PolarHBondContact O-N 3.21Å; E76-F78 VanDerWaalsContact C-N 3.31Å; E76-F78 PolarHBondContact O-N 3.19Å; E76-R79 WeakPolarHBondContact O-CB 3.41Å; E76-R79 PolarHBondContact O-N 2.95Å; E76-R79 IonicContact OE1-CZ 3.4Å; E76-R79 IonicContact OE1-NE 3.42Å; E76-R79 PolarHBondContact OE1-NE 3.1Å; E76-R79 IonicContact OE1-NH2 2.63Å; E76-R79 PolarHBondContact OE1-NH2 3.32Å; E76-R79 IonicContact OE2-CZ 3.65Å; E76-R79 IonicContact OE2-NE 2.88Å; E76-R79 PolarHBondContact OE2-NE 3.03Å; E76-R79 IonicContact OE2-NH2 3.57Å; E76-Q80 WeakPolarHBondContact O-CG 3.3Å; E76-Q80 PolarHBondContact O-N 3.29Å; E76-Q80 VanDerWaalsContact O-N 3.13Å; E76-Q80 PolarHBondContact OE1-NE2 3.25Å
77K93.6Very high82.8Confident68 Ų6860.8 Ų60.830%0.29631%0.308SS..Hα-helixtrans-61.4-38.9174-73.2-175.2179.9-179.30112.4T73 L74 R79 Q80 S81 V165T73-K77 WeakPolarHBondContact O-CG 3.39Å; T73-K77 PolarHBondContact O-N 3.18Å; T73-K77 VanDerWaalsContact O-N 3.11Å; L74-K77 PolarHBondContact O-N 3.44Å; L74-K77 VanDerWaalsContact O-N 3.16Å; K77-R79 VanDerWaalsContact C-N 3.31Å; K77-R79 PolarHBondContact O-N 3.09Å; K77-Q80 PolarHBondContact O-N 2.89Å; K77-S81 PolarHBondContact O-N 3.19Å; K77-V165 HydrophobicContact CB-CG2 3.75Å; K77-V165 HydrophobicContact CD-CG1 4.22Å; K77-V165 HydrophobicContact CD-CG2 3.89Å; K77-V165 HydrophobicContact CG-CG2 4.45Å
78F92.8Very high80.1Confident1 Ų166.3 Ų66.30%0.00434%0.344CS..Hα-helixtrans-68.5-34.1179.4-53.7-17.4000112L74 Q75 E76 S81 N82 I95 W123 V127 A160 Y163 V165L74-F78 HydrophobicContact CB-CE1 4.09Å; L74-F78 HydrophobicContact CB-CE2 4.29Å; L74-F78 HydrophobicContact CB-CZ 3.85Å; L74-F78 HydrophobicContact CD1-CZ 4.49Å; L74-F78 HydrophobicContact CD2-CE1 4.14Å; L74-F78 HydrophobicContact CD2-CZ 4.36Å; L74-F78 HydrophobicContact CG-CZ 4.47Å; L74-F78 WeakPolarHBondContact O-CD1 3.09Å; L74-F78 WeakPolarHBondContact O-CG 3.42Å; L74-F78 PolarHBondContact O-N 3.32Å; Q75-F78 PolarHBondContact O-N 3.09Å; E76-F78 VanDerWaalsContact C-N 3.31Å; E76-F78 PolarHBondContact O-N 3.19Å; F78-S81 PolarHBondContact O-N 2.9Å; F78-N82 WeakPolarHBondContact O-CB 3.44Å; F78-N82 PolarHBondContact O-N 3.45Å; F78-I95 HydrophobicContact CB-CD1 3.24Å; F78-I95 HydrophobicContact CB-CG2 4.28Å; F78-I95 HydrophobicContact CD2-CD1 4.04Å; F78-I95 HydrophobicContact CD2-CG2 3.95Å; F78-I95 HydrophobicContact CG-CD1 4.05Å; F78-W123 HydrophobicContact CE2-CH2 4.37Å; F78-W123 HydrophobicContact CE2-CZ2 4.45Å; F78-V127 HydrophobicContact CE2-CG1 4.44Å; F78-A160 VanDerWaalsContact CE1-CA 3.47Å; F78-A160 HydrophobicContact CE1-CB 3.67Å; F78-A160 HydrophobicContact CZ-CB 3.84Å; F78-Y163 HydrophobicContact CB-CD1 4.06Å; F78-Y163 HydrophobicContact CB-CD2 4.33Å; F78-Y163 HydrophobicContact CB-CG 3.93Å; F78-Y163 VanDerWaalsContact CD1-CB 3.41Å; F78-Y163 AromaticContact CD1-CD2 3.68Å; F78-Y163 HydrophobicContact CD1-CD2 3.68Å; F78-Y163 AromaticContact CD1-CG 3.67Å; F78-Y163 HydrophobicContact CD1-CG 3.67Å; F78-Y163 HydrophobicContact CD2-CD2 4.07Å; F78-Y163 HydrophobicContact CD2-CE2 4.24Å; F78-Y163 AromaticContact CE1-CD2 3.9Å; F78-Y163 HydrophobicContact CE1-CD2 3.9Å; F78-Y163 HydrophobicContact CE1-CG 4.29Å; F78-Y163 HydrophobicContact CE2-CD2 4.25Å; F78-Y163 HydrophobicContact CE2-CE2 4.43Å; F78-Y163 HydrophobicContact CG-CD1 4.4Å; F78-Y163 AromaticContact CG-CD2 3.78Å; F78-Y163 HydrophobicContact CG-CD2 3.78Å; F78-Y163 HydrophobicContact CG-CE2 4.33Å; F78-Y163 AromaticContact CG-CG 3.81Å; F78-Y163 HydrophobicContact CG-CG 3.81Å; F78-Y163 HydrophobicContact CZ-CD2 4.16Å; F78-V165 HydrophobicContact CD1-CG2 4.14Å; F78-V165 HydrophobicContact CE1-CG2 3.97Å
79R89Confident77.5Confident132 Ų13270 Ų7050%0.49838%0.382SS..Hα-helixtrans-62.3-44.2173.5-172.4-167.666.571.9-3.5111.5Q75 E76 K77 N82 G83Q75-R79 PolarHBondContact O-N 2.8Å; Q75-R79 VanDerWaalsContact O-N 3.09Å; E76-R79 WeakPolarHBondContact O-CB 3.41Å; E76-R79 PolarHBondContact O-N 2.95Å; E76-R79 IonicContact OE1-CZ 3.4Å; E76-R79 IonicContact OE1-NE 3.42Å; E76-R79 PolarHBondContact OE1-NE 3.1Å; E76-R79 IonicContact OE1-NH2 2.63Å; E76-R79 PolarHBondContact OE1-NH2 3.32Å; E76-R79 IonicContact OE2-CZ 3.65Å; E76-R79 IonicContact OE2-NE 2.88Å; E76-R79 PolarHBondContact OE2-NE 3.03Å; E76-R79 IonicContact OE2-NH2 3.57Å; K77-R79 VanDerWaalsContact C-N 3.31Å; K77-R79 PolarHBondContact O-N 3.09Å; R79-N82 PolarHBondContact O-N 3.24Å; R79-G83 PolarHBondContact O-N 3.31Å
80Q88.4Confident75Confident101 Ų10174.2 Ų74.247%0.47241%0.407SS..Hα-helixtrans-62.6-46178-66.6169.61200111.1E76 K77 N82 G83E76-Q80 WeakPolarHBondContact O-CG 3.3Å; E76-Q80 PolarHBondContact O-N 3.29Å; E76-Q80 VanDerWaalsContact O-N 3.13Å; E76-Q80 PolarHBondContact OE1-NE2 3.25Å; K77-Q80 PolarHBondContact O-N 2.89Å; Q80-N82 VanDerWaalsContact C-N 3.32Å; Q80-N82 PolarHBondContact O-N 3.18Å; Q80-G83 PolarHBondContact O-N 3.13Å; Q80-G83 VanDerWaalsContact O-N 3.15Å
81S84.9Confident72.7Confident16 Ų1680.1 Ų80.111%0.11245%0.448CS..Hα-helixtrans-62.7-35.2176.3175.20000113.4K77 F78 G83 D84 Y163 N164K77-S81 PolarHBondContact O-N 3.19Å; F78-S81 PolarHBondContact O-N 2.9Å; S81-G83 VanDerWaalsContact C-N 3.31Å; S81-G83 PolarHBondContact O-N 3.48Å; S81-D84 PolarHBondContact O-N 2.98Å; S81-Y163 VanDerWaalsContact CB-O 3.31Å; S81-Y163 WeakPolarHBondContact CB-O 3.41Å; S81-Y163 WeakPolarHBondContact OG-CA 3.35Å; S81-Y163 PolarHBondContact OG-O 2.94Å; S81-N164 PolarHBondContact OG-OD1 2.85Å
82N71.1Confident70.8Confident58 Ų5885.1 Ų85.131%0.3147%0.469SS..Hα-helixtrans-71.2-22.4176.4-81.80.6000113.8F78 R79 Q80 D84 I95F78-N82 WeakPolarHBondContact O-CB 3.44Å; F78-N82 PolarHBondContact O-N 3.45Å; R79-N82 PolarHBondContact O-N 3.24Å; Q80-N82 VanDerWaalsContact C-N 3.32Å; Q80-N82 PolarHBondContact O-N 3.18Å; N82-D84 VanDerWaalsContact C-N 3.32Å; N82-I95 WeakPolarHBondContact ND2-CD1 2.92Å
83G59.8Low69.1Low67 Ų6789 Ų8969%0.69149%0.485SS*.Hα-helixtrans-72.2-23.6176.300000114R79 Q80 S81R79-G83 PolarHBondContact O-N 3.31Å; Q80-G83 PolarHBondContact O-N 3.13Å; Q80-G83 VanDerWaalsContact O-N 3.15Å; S81-G83 VanDerWaalsContact C-N 3.31Å; S81-G83 PolarHBondContact O-N 3.48Å
84D54.4Low67.9Low145 Ų14596.8 Ų96.878%0.77552%0.516SS*.SBendtrans-102.7-4.3-170.7-83.7-26.6000115S81 N82S81-D84 PolarHBondContact O-N 2.98Å; N82-D84 VanDerWaalsContact C-N 3.32Å
85L49.3Very low67Low86 Ų8698.4 Ų98.445%0.4552%0.524SS..  trans-128.197.8-179.5-84.9103.5000113.6E87L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.32Å; L85-E87 VanDerWaalsContact O-N 3.17Å
86H44.4Very low66.2Low190 Ų19098.3 Ų98.388%0.8853%0.525SS*.  trans-82.171.1167-140.8-94.9000110.1
87E45.3Very low65.4Low144 Ų144101.5 Ų101.567%0.67355%0.545SS*.  trans-103.2117.5171-85.7-66.411300110.5L85L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.32Å; L85-E87 VanDerWaalsContact O-N 3.17Å
88P42.7Very low64.8Low118 Ų118102.9 Ų102.977%0.76655%0.548SS*.  trans-86.8114.5-179.332.3-27.8000110
89G44Very low64.5Low77 Ų77113.4 Ų113.479%0.79459%0.588SS**SBendtrans151.1-6.4161.300000118.8
90N45.6Very low64.7Low147 Ų147107.3 Ų107.379%0.78657%0.565SS**SBendtrans-120.6128.5175.2-131.46.8000109.9K92N90-K92 PolarHBondContact O-N 3.02Å
91S49.3Very low64.9Low123 Ų123106 Ų10686%0.8657%0.566SS**  trans-60.773.7178.2-44.70000110.7K93S91-K93 PolarHBondContact O-N 3.31Å
92K57.3Low65.4Low105 Ų105107.4 Ų107.446%0.45758%0.575SS.*  trans-61.2110.6176.4-72-177.1-177.5178.60106.2N90 K94N90-K92 PolarHBondContact O-N 3.02Å; K92-K94 PolarHBondContact O-N 3.29Å
93K61Low66.6Low155 Ų155110.8 Ų110.867%0.67458%0.583SS**PPolyproline II helixtrans-50.8128173.5-72.4-176.2177.8-178.60107.4S91 I95S91-K93 PolarHBondContact O-N 3.31Å; K93-I95 PolarHBondContact O-N 3.47Å
94K69.8Low68.3Low204 Ų204114.1 Ų114.189%0.88758%0.581SS**PPolyproline II helixtrans-56.8117.4175-76-175.4180-178.60107.4K92K92-K94 PolarHBondContact O-N 3.29Å
95I76.8Confident70.2Confident34 Ų34112.5 Ų112.517%0.17458%0.581CS.*PPolyproline II helixtrans-64.4135177.7-52-172.4000107F78 N82 K93 N97 Y163F78-I95 HydrophobicContact CB-CD1 3.24Å; F78-I95 HydrophobicContact CB-CG2 4.28Å; F78-I95 HydrophobicContact CD2-CD1 4.04Å; F78-I95 HydrophobicContact CD2-CG2 3.95Å; F78-I95 HydrophobicContact CG-CD1 4.05Å; N82-I95 WeakPolarHBondContact ND2-CD1 2.92Å; K93-I95 PolarHBondContact O-N 3.47Å; I95-N97 PolarHBondContact O-N 2.9Å; I95-Y163 HydrophobicContact CD1-CD1 3.97Å; I95-Y163 HydrophobicContact CD1-CE1 3.42Å; I95-Y163 VanDerWaalsContact CD1-CE1 3.42Å; I95-Y163 HydrophobicContact CD1-CE2 4.35Å; I95-Y163 HydrophobicContact CG1-CE1 4.34Å
96P78.6Confident72.5Confident18 Ų18108.8 Ų108.812%0.11756%0.563CS.*PPolyproline II helixtrans-50.9140.2173.1-2736.9000110.5Q75 E126 V127Q75-P96 WeakPolarHBondContact CG-O 3.47Å; Q75-P96 PolarHBondContact OE1-O 2.75Å; P96-E126 HydrophobicContact CB-CB 4.42Å; P96-E126 WeakPolarHBondContact CB-OE2 3.45Å; P96-E126 HydrophobicContact CG-CB 3.33Å; P96-E126 HydrophobicContact CG-CG 4.33Å; P96-E126 WeakPolarHBondContact CG-OE2 3.45Å; P96-V127 HydrophobicContact CG-CG1 4.18Å
97N75Confident75Confident142 Ų142103.5 Ų103.576%0.75955%0.545SS*.  trans-129.758.9175.5-170.315.9000108.9I95I95-N97 PolarHBondContact O-N 2.9Å
98R81.8Confident77.4Confident98 Ų9899.9 Ų99.937%0.3754%0.535SS..  trans-125145.9179.463.4-174.4-176.1118.4-1.4110.4Q75 E126Q75-R98 PolarHBondContact NE2-O 2.95Å; R98-E126 IonicContact CZ-OE1 3.83Å; R98-E126 IonicContact CZ-OE2 3.51Å; R98-E126 IonicContact NE-OE1 3.77Å; R98-E126 PolarHBondContact NE-OE1 3.42Å; R98-E126 VanDerWaalsContact NE-OE1 3.12Å; R98-E126 IonicContact NE-OE2 3.12Å; R98-E126 PolarHBondContact NE-OE2 2.86Å; R98-E126 IonicContact NH2-OE1 2.6Å; R98-E126 PolarHBondContact NH2-OE1 3.47Å; R98-E126 IonicContact NH2-OE2 3.5Å; R98-E126 PolarHBondContact NH2-OE2 3.42Å
99R87.1Confident79.9Confident221 Ų22195.8 Ų95.883%0.83452%0.515SS*.  trans-67138.3168.2-172.3178.8-178.1-172.21108.7P101R99-P101 WeakPolarHBondContact O-CD 3.4Å
100I91.4Very high82.5Confident4 Ų493.4 Ų93.42%0.02149%0.486CS..  trans-94.5114.8-179.7-58.5174.3000107.1C68 A71 E72 C102 N119 W123C68-I100 HydrophobicContact CB-CG2 4.05Å; A71-I100 HydrophobicContact CB-CD1 3.2Å; E72-I100 HydrophobicContact CG-CB 4.34Å; E72-I100 HydrophobicContact CG-CD1 4.18Å; E72-I100 HydrophobicContact CG-CG1 4.31Å; E72-I100 PolarHBondContact OE1-N 3.09Å; I100-C102 PolarHBondContact O-N 2.84Å; I100-C102 VanDerWaalsContact O-N 3.13Å; I100-N119 HydrophobicContact CG2-CB 3.93Å; I100-W123 HydrophobicContact CD1-CB 3.95Å; I100-W123 HydrophobicContact CD1-CD2 4.18Å; I100-W123 HydrophobicContact CD1-CG 3.66Å; I100-W123 HydrophobicContact CG1-CG 4.44Å
101P93.3Very high84.9Confident75 Ų7593.7 Ų93.749%0.48748%0.481SS..  trans-59.2122178.2-21.933.5000109.9R99 N119R99-P101 WeakPolarHBondContact O-CD 3.4Å; P101-N119 PolarHBondContact O-ND2 3.02Å
102C95.1Very high87.3Confident45 Ų4592 Ų9230%0.30446%0.458SS..  trans-151.1138.1-176.6-166.30000112.2C68 I100 N116C68-C102 HydrophobicContact CB-CB 3.57Å; C68-C102 WeakPolarHBondContact CB-SG 3.44Å; I100-C102 PolarHBondContact O-N 2.84Å; I100-C102 VanDerWaalsContact O-N 3.13Å; C102-N116 WeakPolarHBondContact CA-OD1 3.36Å; C102-N116 VanDerWaalsContact SG-CG 3.6Å
103R96.6Very high89.2Confident128 Ų12887 Ų8748%0.48344%0.436SS..  trans-109.3109.6178.7-58-179.6-169.4-1501110S105 A106 N116R103-S105 VanDerWaalsContact C-N 3.33Å; R103-S105 PolarHBondContact O-N 3.15Å; R103-A106 HydrophobicContact CB-CB 4.35Å; R103-A106 WeakPolarHBondContact O-CB 3.5Å; R103-A106 PolarHBondContact O-N 3.15Å; R103-N116 PolarHBondContact N-OD1 2.94Å; R103-N116 PolarHBondContact O-ND2 3.49Å
104Q95.1Very high91Very high137 Ų13783.3 Ų83.364%0.6442%0.418SS*.THydrogen-bonded Turntrans-62.6-37.1-177.7-174.6173.2-7.800113.7F65 A106F65-Q104 HydrophobicContact CD1-CG 3.98Å; F65-Q104 HydrophobicContact CD2-CB 3.62Å; F65-Q104 HydrophobicContact CD2-CG 3.9Å; F65-Q104 HydrophobicContact CE1-CG 3.79Å; F65-Q104 HydrophobicContact CE2-CB 3.52Å; F65-Q104 HydrophobicContact CE2-CG 3.7Å; F65-Q104 HydrophobicContact CG-CB 4.16Å; F65-Q104 HydrophobicContact CG-CG 4.03Å; F65-Q104 HydrophobicContact CZ-CB 4Å; F65-Q104 HydrophobicContact CZ-CG 3.64Å; Q104-A106 VanDerWaalsContact C-N 3.3Å; Q104-A106 PolarHBondContact O-N 2.95Å
105S94.9Very high92.4Very high112 Ų11276.3 Ų76.378%0.78339%0.39SS*.THydrogen-bonded Turntrans-91.420.6-178.354.50000113.7R103 P107R103-S105 VanDerWaalsContact C-N 3.33Å; R103-S105 PolarHBondContact O-N 3.15Å; S105-P107 WeakPolarHBondContact O-CD 3.46Å
106A96.8Very high93.4Very high8 Ų874.7 Ų74.77%0.06638%0.382CS..PPolyproline II helixtrans-61.3125.7174.700000110.1N63 R103 Q104 S108 F112 N116N63-A106 WeakPolarHBondContact CB-O 3.43Å; R103-A106 HydrophobicContact CB-CB 4.35Å; R103-A106 WeakPolarHBondContact O-CB 3.5Å; R103-A106 PolarHBondContact O-N 3.15Å; Q104-A106 VanDerWaalsContact C-N 3.3Å; Q104-A106 PolarHBondContact O-N 2.95Å; A106-S108 PolarHBondContact O-N 2.87Å; A106-F112 HydrophobicContact CB-CB 3.88Å; A106-N116 WeakPolarHBondContact CB-ND2 3.32Å
107P96.8Very high94.4Very high78 Ų7873.9 Ų73.951%0.50638%0.377SS..PPolyproline II helixtrans-63.7137.4174.6-20.832.4000110.6S105 S110 A113S105-P107 WeakPolarHBondContact O-CD 3.46Å; P107-S110 WeakPolarHBondContact O-CB 3.17Å; P107-S110 PolarHBondContact O-N 2.87Å; P107-S110 PolarHBondContact O-OG 3.38Å; P107-A113 WeakPolarHBondContact O-CB 3.46Å
108S96.1Very high95.5Very high68 Ų6868.9 Ų68.948%0.47636%0.355SS..THydrogen-bonded Turntrans-55.7148.4171.11730000110.6D62 A106 S110D62-S108 VanDerWaalsContact OD1-CB 3.28Å; D62-S108 WeakPolarHBondContact OD1-CB 3.33Å; D62-S108 PolarHBondContact OD1-OG 3.05Å; D62-S108 VanDerWaalsContact OD1-OG 3.05Å; D62-S108 PolarHBondContact OD2-OG 3.41Å; A106-S108 PolarHBondContact O-N 2.87Å; S108-S110 PolarHBondContact O-N 3.41Å; S108-S110 VanDerWaalsContact O-N 3.1Å
109G95.6Very high96.3Very high33 Ų3366 Ų6634%0.3435%0.347SS..THydrogen-bonded Turntrans75.2-12.8-17600000115.6
110S97.7Very high96.8Very high26 Ų2655.4 Ų55.418%0.18231%0.307CS..SBendtrans-82.8166.1-170.176.30000114.6P107 S108 F112 A113 R114P107-S110 WeakPolarHBondContact O-CB 3.17Å; P107-S110 PolarHBondContact O-N 2.87Å; P107-S110 PolarHBondContact O-OG 3.38Å; S108-S110 PolarHBondContact O-N 3.41Å; S108-S110 VanDerWaalsContact O-N 3.1Å; S110-F112 PolarHBondContact O-N 3.37Å; S110-F112 PolarHBondContact OG-N 3.48Å; S110-A113 WeakPolarHBondContact O-CB 3.13Å; S110-A113 PolarHBondContact O-N 2.95Å; S110-A113 PolarHBondContact OG-N 3.15Å; S110-R114 WeakPolarHBondContact O-CG 3.3Å; S110-R114 PolarHBondContact O-N 2.92Å; S110-R114 VanDerWaalsContact O-N 3.13Å
111F97.6Very high97.1Very high153 Ų15355.5 Ų55.567%0.67131%0.308SS*.Hα-helixtrans-57.7-36.1169.7178.9-97.7000112.4R114 D115F111-R114 WeakPolarHBondContact O-CB 3.16Å; F111-R114 PolarHBondContact O-N 3.1Å; F111-D115 PolarHBondContact O-N 3.11Å
112F98.1Very high97.3Very high87 Ų8753.5 Ų53.538%0.38230%0.297SS..Hα-helixtrans-68.1-35.6177.7-58.8-59.6000112.6A106 S110 R114 D115 N116A106-F112 HydrophobicContact CB-CB 3.88Å; S110-F112 PolarHBondContact O-N 3.37Å; S110-F112 PolarHBondContact OG-N 3.48Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-D115 PolarHBondContact O-N 2.89Å; F112-N116 PolarHBondContact O-N 2.83Å
113A98.5Very high97.4Very high0 Ų051.4 Ų51.40%028%0.283CS..Hα-helixtrans-66.2-38.5173.400000111.8N63 P107 S110 T117 V141N63-A113 WeakPolarHBondContact O-CA 3.34Å; P107-A113 WeakPolarHBondContact O-CB 3.46Å; S110-A113 WeakPolarHBondContact O-CB 3.13Å; S110-A113 PolarHBondContact O-N 2.95Å; S110-A113 PolarHBondContact OG-N 3.15Å; A113-T117 WeakPolarHBondContact O-CB 3.41Å; A113-T117 PolarHBondContact O-N 3.36Å; A113-T117 PolarHBondContact O-OG1 3.23Å; A113-V141 HydrophobicContact CB-CG1 4.05Å; A113-V141 HydrophobicContact CB-CG2 4.03Å
114R98.4Very high97.5Very high79 Ų7945.3 Ų45.330%0.29826%0.26SS..Hα-helixtrans-64-41173.1-64.5178.4-169.1-161.91.3111.8S110 F111 F112 T117 A118 S137 E138 V141S110-R114 WeakPolarHBondContact O-CG 3.3Å; S110-R114 PolarHBondContact O-N 2.92Å; S110-R114 VanDerWaalsContact O-N 3.13Å; F111-R114 WeakPolarHBondContact O-CB 3.16Å; F111-R114 PolarHBondContact O-N 3.1Å; F112-R114 VanDerWaalsContact C-N 3.34Å; R114-T117 PolarHBondContact O-N 3.09Å; R114-A118 VanDerWaalsContact O-CB 3.32Å; R114-A118 WeakPolarHBondContact O-CB 3.3Å; R114-A118 PolarHBondContact O-N 2.96Å; R114-S137 WeakPolarHBondContact O-CB 3.32Å; R114-E138 IonicContact NH1-OE2 2.65Å; R114-V141 HydrophobicContact CB-CG2 4.45Å; R114-V141 HydrophobicContact CG-CB 4.01Å; R114-V141 HydrophobicContact CG-CG1 3.94Å; R114-V141 HydrophobicContact CG-CG2 3.83Å
115D98.4Very high97.6Very high56 Ų5644 Ų4430%0.29925%0.249SC..Hα-helixtrans-63.2-47.2177.3-168.351000111.6F111 F112 T117 A118 N119F111-D115 PolarHBondContact O-N 3.11Å; F112-D115 PolarHBondContact O-N 2.89Å; D115-T117 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3.47Å; D115-A118 PolarHBondContact O-N 3.42Å; D115-N119 VanDerWaalsContact O-CG 3.32Å; D115-N119 PolarHBondContact O-N 3.21Å; D115-N119 PolarHBondContact O-ND2 3.37Å
116N98.6Very high97.6Very high1 Ų142.5 Ų42.51%0.00523%0.23CC..Hα-helixtrans-53.3-50.9171.7-72.8-13.9000111.3N63 C68 C102 R103 A106 F112 A118 N119 F120N63-N116 PolarHBondContact O-ND2 3.38Å; C68-N116 PolarHBondContact SG-O 3.12Å; C102-N116 WeakPolarHBondContact CA-OD1 3.36Å; C102-N116 VanDerWaalsContact SG-CG 3.6Å; R103-N116 PolarHBondContact N-OD1 2.94Å; R103-N116 PolarHBondContact O-ND2 3.49Å; A106-N116 WeakPolarHBondContact CB-ND2 3.32Å; F112-N116 PolarHBondContact O-N 2.83Å; N116-A118 VanDerWaalsContact C-N 3.34Å; N116-A118 PolarHBondContact O-N 2.81Å; N116-N119 PolarHBondContact O-N 3.32Å; N116-F120 PolarHBondContact O-N 3.2Å; N116-F120 VanDerWaalsContact O-N 3.09Å
117T98.6Very high97.4Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-63.3-39.5-179.2-54.20000112L67 A113 R114 D115 F120 L121 F135 L140L67-T117 HydrophobicContact CD1-CG2 4.49Å; A113-T117 WeakPolarHBondContact O-CB 3.41Å; A113-T117 PolarHBondContact O-N 3.36Å; A113-T117 PolarHBondContact O-OG1 3.23Å; R114-T117 PolarHBondContact O-N 3.09Å; D115-T117 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3.47Å; T117-F120 WeakPolarHBondContact O-CB 3.4Å; T117-F120 PolarHBondContact O-N 3Å; T117-L121 HydrophobicContact CG2-CD1 4.2Å; T117-L121 VanDerWaalsContact O-CG 3.3Å; T117-L121 WeakPolarHBondContact O-CG 3.45Å; T117-L121 PolarHBondContact O-N 2.9Å; T117-F135 HydrophobicContact CG2-CE2 3.51Å; T117-F135 HydrophobicContact CG2-CZ 3.98Å; T117-L140 HydrophobicContact CG2-CB 4.26Å; T117-L140 HydrophobicContact CG2-CD2 3.71Å
118A98.6Very high97.4Very high38 Ų3840.9 Ų40.931%0.31422%0.224SC..Hα-helixtrans-64.2-39.4176.500000112R114 D115 N116 L121 A122R114-A118 VanDerWaalsContact O-CB 3.32Å; R114-A118 WeakPolarHBondContact O-CB 3.3Å; R114-A118 PolarHBondContact O-N 2.96Å; D115-A118 PolarHBondContact O-N 3.42Å; N116-A118 VanDerWaalsContact C-N 3.34Å; N116-A118 PolarHBondContact O-N 2.81Å; A118-L121 PolarHBondContact O-N 3.25Å; A118-A122 WeakPolarHBondContact O-CB 3.37Å; A118-A122 PolarHBondContact O-N 2.71Å
119N98.3Very high97.4Very high36 Ų3637.8 Ų37.819%0.19320%0.203CC..Hα-helixtrans-63.3-41.9175.1-69.1-34.4000111.7I100 P101 D115 N116 A122 W123I100-N119 HydrophobicContact CG2-CB 3.93Å; P101-N119 PolarHBondContact O-ND2 3.02Å; D115-N119 VanDerWaalsContact O-CG 3.32Å; D115-N119 PolarHBondContact O-N 3.21Å; D115-N119 PolarHBondContact O-ND2 3.37Å; N116-N119 PolarHBondContact O-N 3.32Å; N119-A122 PolarHBondContact O-N 3.5Å; N119-W123 PolarHBondContact O-N 3.42Å; N119-W123 VanDerWaalsContact O-N 3.08Å
120F98.4Very high97.3Very high0 Ų037.9 Ų37.90%020%0.203CC..Hα-helixtrans-59.8-47.6171.4167.2-104000112.4L67 L70 A71 N116 T117 A122 W123 C124 F135 L153 L156L67-F120 HydrophobicContact CB-CB 4.03Å; L67-F120 HydrophobicContact CB-CD1 3.87Å; L67-F120 HydrophobicContact CB-CD2 3.74Å; L67-F120 HydrophobicContact CB-CE1 4.2Å; L67-F120 HydrophobicContact CB-CE2 4.07Å; L67-F120 HydrophobicContact CB-CG 3.6Å; L67-F120 HydrophobicContact CB-CZ 4.27Å; L67-F120 HydrophobicContact CD1-CD1 3.79Å; L67-F120 HydrophobicContact CD1-CE1 3.92Å; L67-F120 HydrophobicContact CD1-CG 4.36Å; L67-F120 HydrophobicContact CD2-CE1 4.18Å; L67-F120 HydrophobicContact CD2-CE2 4.49Å; L67-F120 HydrophobicContact CD2-CZ 4.08Å; L67-F120 HydrophobicContact CG-CD1 4.33Å; L67-F120 HydrophobicContact CG-CE1 4.35Å; L67-F120 WeakPolarHBondContact O-CD2 3.34Å; L67-F120 WeakPolarHBondContact O-CE2 3.35Å; L70-F120 HydrophobicContact CD2-CE2 4.46Å; A71-F120 HydrophobicContact CB-CD2 3.86Å; A71-F120 HydrophobicContact CB-CE2 4.21Å; N116-F120 PolarHBondContact O-N 3.2Å; N116-F120 VanDerWaalsContact O-N 3.09Å; T117-F120 WeakPolarHBondContact O-CB 3.4Å; T117-F120 PolarHBondContact O-N 3Å; F120-A122 VanDerWaalsContact C-N 3.31Å; F120-A122 PolarHBondContact O-N 3.12Å; F120-W123 WeakPolarHBondContact O-CB 3.45Å; F120-W123 PolarHBondContact O-N 2.87Å; F120-W123 VanDerWaalsContact O-N 3.14Å; F120-C124 VanDerWaalsContact CE1-SG 3.51Å; F120-C124 WeakPolarHBondContact CZ-SG 3.36Å; F120-C124 PolarHBondContact O-N 2.9Å; F120-C124 PolarHBondContact O-SG 2.88Å; F120-F135 HydrophobicContact CD1-CZ 4.26Å; F120-F135 HydrophobicContact CE1-CE1 4.06Å; F120-F135 HydrophobicContact CE1-CZ 4.12Å; F120-L153 HydrophobicContact CZ-CD2 4.14Å; F120-L156 HydrophobicContact CE2-CD1 3.87Å; F120-L156 HydrophobicContact CZ-CD1 3.46Å; F120-L156 VanDerWaalsContact CZ-CD1 3.46Å
121L98.4Very high97.3Very high6 Ų642.3 Ų42.33%0.03122%0.221CC..Hα-helixtrans-64.1-36179.3-70168.3000112.1T117 A118 W123 C124 R125 L134 F135T117-L121 HydrophobicContact CG2-CD1 4.2Å; T117-L121 VanDerWaalsContact O-CG 3.3Å; T117-L121 WeakPolarHBondContact O-CG 3.45Å; T117-L121 PolarHBondContact O-N 2.9Å; A118-L121 PolarHBondContact O-N 3.25Å; L121-W123 VanDerWaalsContact C-N 3.34Å; L121-C124 WeakPolarHBondContact O-CB 3.35Å; L121-C124 PolarHBondContact O-N 2.83Å; L121-R125 PolarHBondContact O-N 3.32Å; L121-R125 PolarHBondContact O-NH1 3.39Å; L121-L134 HydrophobicContact CD2-CB 4.44Å; L121-L134 HydrophobicContact CD2-CD2 3.93Å; L121-F135 HydrophobicContact CD1-CD2 4.46Å; L121-F135 HydrophobicContact CD1-CE2 4.23Å; L121-F135 WeakPolarHBondContact CD1-O 3.19Å; L121-F135 HydrophobicContact CD2-CD1 3.85Å; L121-F135 HydrophobicContact CD2-CD2 4.41Å; L121-F135 HydrophobicContact CD2-CE1 3.62Å; L121-F135 HydrophobicContact CD2-CE2 4.17Å; L121-F135 HydrophobicContact CD2-CG 4.24Å; L121-F135 HydrophobicContact CD2-CZ 3.78Å; L121-F135 WeakPolarHBondContact CD2-O 3.31Å; L121-F135 HydrophobicContact CG-CE2 4.44Å; L121-F135 HydrophobicContact CG-CZ 4.26Å
122A97.6Very high97.1Very high33 Ų3341.8 Ų41.827%0.27323%0.231SC..Hα-helixtrans-61.8-43.5172.800000111.2A118 N119 F120 R125 E126A118-A122 WeakPolarHBondContact O-CB 3.37Å; A118-A122 PolarHBondContact O-N 2.71Å; N119-A122 PolarHBondContact O-N 3.5Å; F120-A122 VanDerWaalsContact C-N 3.31Å; F120-A122 PolarHBondContact O-N 3.12Å; A122-R125 PolarHBondContact O-N 3.27Å; A122-E126 PolarHBondContact O-N 3.2Å
123W97.3Very high97Very high0 Ų039.4 Ų39.40%022%0.224CC..Hα-helixtrans-64.2-40.4174.2177.789.3000112.6A71 L74 Q75 F78 I100 N119 F120 L121 R125 E126 V127 L156A71-W123 HydrophobicContact CB-CD2 3.5Å; A71-W123 VanDerWaalsContact CB-CD2 3.5Å; A71-W123 HydrophobicContact CB-CE3 3.35Å; A71-W123 HydrophobicContact CB-CG 4.1Å; A71-W123 HydrophobicContact CB-CH2 3.98Å; A71-W123 HydrophobicContact CB-CZ2 4.09Å; A71-W123 HydrophobicContact CB-CZ3 3.61Å; A71-W123 VanDerWaalsContact O-CZ2 3.24Å; A71-W123 WeakPolarHBondContact O-CZ2 3.37Å; L74-W123 HydrophobicContact CB-CH2 3.88Å; L74-W123 HydrophobicContact CB-CZ2 4.34Å; L74-W123 HydrophobicContact CD1-CH2 4.18Å; Q75-W123 HydrophobicContact CB-CZ2 4.12Å; F78-W123 HydrophobicContact CE2-CH2 4.37Å; F78-W123 HydrophobicContact CE2-CZ2 4.45Å; I100-W123 HydrophobicContact CD1-CB 3.95Å; I100-W123 HydrophobicContact CD1-CD2 4.18Å; I100-W123 HydrophobicContact CD1-CG 3.66Å; I100-W123 HydrophobicContact CG1-CG 4.44Å; N119-W123 PolarHBondContact O-N 3.42Å; N119-W123 VanDerWaalsContact O-N 3.08Å; F120-W123 WeakPolarHBondContact O-CB 3.45Å; F120-W123 PolarHBondContact O-N 2.87Å; F120-W123 VanDerWaalsContact O-N 3.14Å; L121-W123 VanDerWaalsContact C-N 3.34Å; W123-R125 VanDerWaalsContact C-N 3.28Å; W123-R125 PolarHBondContact O-N 3.2Å; W123-E126 PolarHBondContact O-N 3.45Å; W123-V127 HydrophobicContact CD2-CG1 4.06Å; W123-V127 HydrophobicContact CD2-CG2 4.5Å; W123-V127 HydrophobicContact CE3-CG1 4.44Å; W123-V127 HydrophobicContact CE3-CG2 4.12Å; W123-V127 HydrophobicContact CH2-CG1 3.95Å; W123-V127 HydrophobicContact CH2-CG2 4.12Å; W123-V127 HydrophobicContact CZ2-CG1 3.52Å; W123-V127 HydrophobicContact CZ2-CG2 4.49Å; W123-V127 HydrophobicContact CZ3-CG1 4.4Å; W123-V127 HydrophobicContact CZ3-CG2 3.93Å; W123-V127 PolarHBondContact O-N 2.8Å; W123-V127 VanDerWaalsContact O-N 3.09Å; W123-L156 HydrophobicContact CH2-CD2 4.41Å; W123-L156 HydrophobicContact CZ3-CD1 4.41Å; W123-L156 HydrophobicContact CZ3-CD2 3.75Å
124C97.6Very high97Very high0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-55.2-42.8177.1-68.30000112.3F120 L121 E126 V127 G128 V129 L134F120-C124 VanDerWaalsContact CE1-SG 3.51Å; F120-C124 WeakPolarHBondContact CZ-SG 3.36Å; F120-C124 PolarHBondContact O-N 2.9Å; F120-C124 PolarHBondContact O-SG 2.88Å; L121-C124 WeakPolarHBondContact O-CB 3.35Å; L121-C124 PolarHBondContact O-N 2.83Å; C124-E126 VanDerWaalsContact C-N 3.32Å; C124-E126 PolarHBondContact O-N 2.85Å; C124-V127 WeakPolarHBondContact O-CG2 3.32Å; C124-V127 PolarHBondContact O-N 3.43Å; C124-G128 PolarHBondContact O-N 3.27Å; C124-V129 HydrophobicContact CB-CB 4.05Å; C124-V129 HydrophobicContact CB-CG2 3.93Å; C124-V129 WeakPolarHBondContact O-CB 3.23Å; C124-V129 WeakPolarHBondContact O-CG2 3.31Å; C124-V129 PolarHBondContact O-N 3.17Å; C124-L134 HydrophobicContact CB-CD2 3.65Å
125R96.6Very high97Very high109 Ų10936.8 Ų36.841%0.41122%0.216SC..Hα-helixtrans-59.4-43.2175.9-70.5176176.693.84.1112L121 A122 W123 G128 E131 L134L121-R125 PolarHBondContact O-N 3.32Å; L121-R125 PolarHBondContact O-NH1 3.39Å; A122-R125 PolarHBondContact O-N 3.27Å; W123-R125 VanDerWaalsContact C-N 3.28Å; W123-R125 PolarHBondContact O-N 3.2Å; R125-G128 PolarHBondContact O-N 3.07Å; R125-G128 VanDerWaalsContact O-N 3.13Å; R125-E131 VanDerWaalsContact CD-OE1 3.22Å; R125-E131 WeakPolarHBondContact CD-OE1 3.27Å; R125-E131 WeakPolarHBondContact CG-OE1 3.42Å; R125-E131 IonicContact CZ-OE1 3.64Å; R125-E131 IonicContact CZ-OE2 3.38Å; R125-E131 IonicContact NE-OE1 3.84Å; R125-E131 PolarHBondContact NE-OE1 3.42Å; R125-E131 IonicContact NE-OE2 2.6Å; R125-E131 PolarHBondContact NE-OE2 3.24Å; R125-E131 IonicContact NH2-OE2 3.26Å; R125-E131 PolarHBondContact NH2-OE2 3.23Å; R125-E131 VanDerWaalsContact NH2-OE2 3.08Å; R125-L134 HydrophobicContact CG-CD1 3.43Å; R125-L134 VanDerWaalsContact CG-CD1 3.43Å
126E94.8Very high97Very high81 Ų8139.4 Ų39.438%0.37923%0.226SC..Hα-helixtrans-68.8-37.5-177.1-64.7176.3-179.500112.6P96 R98 A122 W123 C124 G128P96-E126 HydrophobicContact CB-CB 4.42Å; P96-E126 WeakPolarHBondContact CB-OE2 3.45Å; P96-E126 HydrophobicContact CG-CB 3.33Å; P96-E126 HydrophobicContact CG-CG 4.33Å; P96-E126 WeakPolarHBondContact CG-OE2 3.45Å; R98-E126 IonicContact CZ-OE1 3.83Å; R98-E126 IonicContact CZ-OE2 3.51Å; R98-E126 IonicContact NE-OE1 3.77Å; R98-E126 PolarHBondContact NE-OE1 3.42Å; R98-E126 VanDerWaalsContact NE-OE1 3.12Å; R98-E126 IonicContact NE-OE2 3.12Å; R98-E126 PolarHBondContact NE-OE2 2.86Å; R98-E126 IonicContact NH2-OE1 2.6Å; R98-E126 PolarHBondContact NH2-OE1 3.47Å; R98-E126 IonicContact NH2-OE2 3.5Å; R98-E126 PolarHBondContact NH2-OE2 3.42Å; A122-E126 PolarHBondContact O-N 3.2Å; W123-E126 PolarHBondContact O-N 3.45Å; C124-E126 VanDerWaalsContact C-N 3.32Å; C124-E126 PolarHBondContact O-N 2.85Å; E126-G128 PolarHBondContact O-N 2.95Å
127V94.4Very high96.9Very high20 Ų2040.9 Ų40.912%0.12124%0.237CC..Hα-helixtrans-75.2-7.5173.9-610000113.3F78 P96 W123 C124 V129 L156F78-V127 HydrophobicContact CE2-CG1 4.44Å; P96-V127 HydrophobicContact CG-CG1 4.18Å; W123-V127 HydrophobicContact CD2-CG1 4.06Å; W123-V127 HydrophobicContact CD2-CG2 4.5Å; W123-V127 HydrophobicContact CE3-CG1 4.44Å; W123-V127 HydrophobicContact CE3-CG2 4.12Å; W123-V127 HydrophobicContact CH2-CG1 3.95Å; W123-V127 HydrophobicContact CH2-CG2 4.12Å; W123-V127 HydrophobicContact CZ2-CG1 3.52Å; W123-V127 HydrophobicContact CZ2-CG2 4.49Å; W123-V127 HydrophobicContact CZ3-CG1 4.4Å; W123-V127 HydrophobicContact CZ3-CG2 3.93Å; W123-V127 PolarHBondContact O-N 2.8Å; W123-V127 VanDerWaalsContact O-N 3.09Å; C124-V127 WeakPolarHBondContact O-CG2 3.32Å; C124-V127 PolarHBondContact O-N 3.43Å; V127-V129 HydrophobicContact CG2-CG2 4.32Å; V127-L156 HydrophobicContact CG2-CD2 3.83Å
128G94.9Very high96.9Very high32 Ų3244.7 Ų44.733%0.3325%0.254SS..THydrogen-bonded Turntrans102.519.6169.700000115.5C124 R125 E126 G130C124-G128 PolarHBondContact O-N 3.27Å; R125-G128 PolarHBondContact O-N 3.07Å; R125-G128 VanDerWaalsContact O-N 3.13Å; E126-G128 PolarHBondContact O-N 2.95Å; G128-G130 PolarHBondContact O-N 3.5Å
129V96.9Very high96.8Very high4 Ų442.9 Ų42.92%0.02424%0.239CC..  trans-65.6124.4166.2-178.40000108.3C124 V127 C133 L134 E155 L156 I159C124-V129 HydrophobicContact CB-CB 4.05Å; C124-V129 HydrophobicContact CB-CG2 3.93Å; C124-V129 WeakPolarHBondContact O-CB 3.23Å; C124-V129 WeakPolarHBondContact O-CG2 3.31Å; C124-V129 PolarHBondContact O-N 3.17Å; V127-V129 HydrophobicContact CG2-CG2 4.32Å; V129-C133 HydrophobicContact CG1-CB 3.99Å; V129-L134 HydrophobicContact CB-CD2 4.09Å; V129-L134 HydrophobicContact CG1-CD2 3.57Å; V129-L134 HydrophobicContact CG1-CG 4.06Å; V129-E155 HydrophobicContact CB-CG 4.48Å; V129-E155 HydrophobicContact CG1-CB 4.39Å; V129-E155 HydrophobicContact CG1-CG 3.96Å; V129-E155 HydrophobicContact CG2-CG 4.39Å; V129-L156 HydrophobicContact CG2-CD2 3.4Å; V129-L156 HydrophobicContact CG2-CG 3.78Å; V129-I159 HydrophobicContact CB-CD1 4.47Å; V129-I159 HydrophobicContact CG2-CD1 3.69Å
130G94.7Very high96.8Very high34 Ų3441.1 Ų41.135%0.35123%0.23SC..  trans-70.5149179.600000112.6G128 T132 C133 L134G128-G130 PolarHBondContact O-N 3.5Å; G130-T132 PolarHBondContact O-N 3.07Å; G130-T132 VanDerWaalsContact O-N 3.14Å; G130-C133 WeakPolarHBondContact O-CB 3.49Å; G130-C133 PolarHBondContact O-N 3.19Å; G130-L134 PolarHBondContact O-N 2.85Å
131E96.1Very high96.8Very high120 Ų12041.3 Ų41.356%0.56123%0.231SC*.G310 helixtrans-55.4-34.3-178.5-66.8-62.4146.600113R125 C133 L134R125-E131 VanDerWaalsContact CD-OE1 3.22Å; R125-E131 WeakPolarHBondContact CD-OE1 3.27Å; R125-E131 WeakPolarHBondContact CG-OE1 3.42Å; R125-E131 IonicContact CZ-OE1 3.64Å; R125-E131 IonicContact CZ-OE2 3.38Å; R125-E131 IonicContact NE-OE1 3.84Å; R125-E131 PolarHBondContact NE-OE1 3.42Å; R125-E131 IonicContact NE-OE2 2.6Å; R125-E131 PolarHBondContact NE-OE2 3.24Å; R125-E131 IonicContact NH2-OE2 3.26Å; R125-E131 PolarHBondContact NH2-OE2 3.23Å; R125-E131 VanDerWaalsContact NH2-OE2 3.08Å; E131-C133 PolarHBondContact O-N 3.44Å; E131-C133 VanDerWaalsContact O-N 3.15Å; E131-L134 PolarHBondContact O-N 3.27Å; E131-L134 VanDerWaalsContact O-N 3.15Å
132T94.7Very high96.7Very high142 Ų14244.2 Ų44.287%0.87125%0.246SC*.G310 helixtrans-66-14.9177.955.60000114G130G130-T132 PolarHBondContact O-N 3.07Å; G130-T132 VanDerWaalsContact O-N 3.14Å
133C95.3Very high96.6Very high36 Ų3645.8 Ų45.824%0.24325%0.248CC..G310 helixtrans-104-8.1178.5-61.50000112.5V129 G130 E131 C152 E155V129-C133 HydrophobicContact CG1-CB 3.99Å; G130-C133 WeakPolarHBondContact O-CB 3.49Å; G130-C133 PolarHBondContact O-N 3.19Å; E131-C133 PolarHBondContact O-N 3.44Å; E131-C133 VanDerWaalsContact O-N 3.15Å; C133-C152 WeakPolarHBondContact O-CA 3.5Å; C133-C152 WeakPolarHBondContact O-CB 3.49Å; C133-C152 PolarHBondContact O-N 3.27Å; C133-E155 HydrophobicContact CB-CB 4.21Å; C133-E155 HydrophobicContact CB-CG 4.26Å
134L98Very high96.4Very high20 Ų2052.7 Ų52.711%0.10528%0.278CS..  trans-83149.7178.7-64.8174.1000110.6L121 C124 R125 V129 G130 E131L121-L134 HydrophobicContact CD2-CB 4.44Å; L121-L134 HydrophobicContact CD2-CD2 3.93Å; C124-L134 HydrophobicContact CB-CD2 3.65Å; R125-L134 HydrophobicContact CG-CD1 3.43Å; R125-L134 VanDerWaalsContact CG-CD1 3.43Å; V129-L134 HydrophobicContact CB-CD2 4.09Å; V129-L134 HydrophobicContact CG1-CD2 3.57Å; V129-L134 HydrophobicContact CG1-CG 4.06Å; G130-L134 PolarHBondContact O-N 2.85Å; E131-L134 PolarHBondContact O-N 3.27Å; E131-L134 VanDerWaalsContact O-N 3.15Å
135F98.3Very high96.3Very high5 Ų554.5 Ų54.52%0.02229%0.286CS..  trans-105169.6170.263.5-84.4000109.8L67 T117 F120 L121 L140 E148 V149 C152L67-F135 HydrophobicContact CD1-CZ 3.95Å; T117-F135 HydrophobicContact CG2-CE2 3.51Å; T117-F135 HydrophobicContact CG2-CZ 3.98Å; F120-F135 HydrophobicContact CD1-CZ 4.26Å; F120-F135 HydrophobicContact CE1-CE1 4.06Å; F120-F135 HydrophobicContact CE1-CZ 4.12Å; L121-F135 HydrophobicContact CD1-CD2 4.46Å; L121-F135 HydrophobicContact CD1-CE2 4.23Å; L121-F135 WeakPolarHBondContact CD1-O 3.19Å; L121-F135 HydrophobicContact CD2-CD1 3.85Å; L121-F135 HydrophobicContact CD2-CD2 4.41Å; L121-F135 HydrophobicContact CD2-CE1 3.62Å; L121-F135 HydrophobicContact CD2-CE2 4.17Å; L121-F135 HydrophobicContact CD2-CG 4.24Å; L121-F135 HydrophobicContact CD2-CZ 3.78Å; L121-F135 WeakPolarHBondContact CD2-O 3.31Å; L121-F135 HydrophobicContact CG-CE2 4.44Å; L121-F135 HydrophobicContact CG-CZ 4.26Å; F135-L140 HydrophobicContact CD2-CB 3.93Å; F135-L140 HydrophobicContact CE2-CB 3.47Å; F135-L140 VanDerWaalsContact CE2-CB 3.47Å; F135-L140 HydrophobicContact CE2-CD2 3.99Å; F135-L140 HydrophobicContact CE2-CG 4.34Å; F135-L140 HydrophobicContact CZ-CB 4.38Å; F135-L140 HydrophobicContact CZ-CD2 4.21Å; F135-E148 HydrophobicContact CB-CB 3.63Å; F135-V149 HydrophobicContact CB-CG2 4.29Å; F135-V149 HydrophobicContact CD1-CB 4.35Å; F135-V149 HydrophobicContact CD1-CG2 3.93Å; F135-V149 HydrophobicContact CD2-CG2 3.63Å; F135-V149 HydrophobicContact CE1-CG2 4.14Å; F135-V149 HydrophobicContact CE2-CG2 3.9Å; F135-V149 HydrophobicContact CG-CG2 3.69Å; F135-V149 HydrophobicContact CZ-CG2 4.14Å; F135-C152 HydrophobicContact CD1-CB 3.65Å; F135-C152 HydrophobicContact CE1-CB 3.95Å
136E98.3Very high96.3Very high110 Ų11050.7 Ų50.751%0.51428%0.276SS..  trans-89.2146.6175.3-63.6173.3155.100111E138 G139 L140 Q145E136-E138 VanDerWaalsContact C-N 3.26Å; E136-E138 HydrophobicContact CB-CG 4.4Å; E136-E138 PolarHBondContact O-N 3.44Å; E136-G139 VanDerWaalsContact O-CA 3.3Å; E136-G139 WeakPolarHBondContact O-CA 3.3Å; E136-G139 PolarHBondContact O-N 2.86Å; E136-L140 PolarHBondContact O-N 2.66Å; E136-Q145 PolarHBondContact OE2-NE2 3.49Å
137S98.2Very high96.3Very high33 Ų3353.2 Ų53.223%0.23128%0.282CS..Hα-helixtrans-57.5-39.4-177.756.10000112.9R114 G139 L140 V141R114-S137 WeakPolarHBondContact O-CB 3.32Å; S137-G139 VanDerWaalsContact C-N 3.28Å; S137-G139 PolarHBondContact O-N 3.3Å; S137-L140 PolarHBondContact O-N 3.48Å; S137-V141 WeakPolarHBondContact O-CB 3.05Å; S137-V141 WeakPolarHBondContact O-CG2 3.04Å; S137-V141 PolarHBondContact O-N 2.83Å
138E97.4Very high96.4Very high79 Ų7955.3 Ų55.337%0.36929%0.29SS..Hα-helixtrans-69.6-25.6173.464.4175.1-169.100113.8R114 E136 L140 V141 L142R114-E138 IonicContact NH1-OE2 2.65Å; E136-E138 VanDerWaalsContact C-N 3.26Å; E136-E138 HydrophobicContact CB-CG 4.4Å; E136-E138 PolarHBondContact O-N 3.44Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.14Å; E138-V141 PolarHBondContact O-N 2.96Å; E138-L142 HydrophobicContact CB-CD1 4.45Å; E138-L142 VanDerWaalsContact O-CB 3.29Å; E138-L142 WeakPolarHBondContact O-CB 3.47Å; E138-L142 PolarHBondContact O-N 3.41Å
139G97.1Very high96.6Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-59.8-41175.800000112.4E136 S137 H143 K144 Q145E136-G139 VanDerWaalsContact O-CA 3.3Å; E136-G139 WeakPolarHBondContact O-CA 3.3Å; E136-G139 PolarHBondContact O-N 2.86Å; S137-G139 VanDerWaalsContact C-N 3.28Å; S137-G139 PolarHBondContact O-N 3.3Å; G139-H143 CarbonylContact O-C 3.51Å; G139-H143 PolarHBondContact O-N 2.78Å; G139-K144 PolarHBondContact O-N 3.32Å; G139-Q145 PolarHBondContact O-N 3.15Å
140L98.1Very high96.6Very high0 Ų053.6 Ų53.60%027%0.274CS..Hα-helixtrans-76.8-52.9172.3172.267.2000111.7M58 L61 L67 T117 F135 E136 S137 E138 L142 H143 V149M58-L140 HydrophobicContact CE-CD1 3.85Å; M58-L140 HydrophobicContact SD-CD1 4.49Å; L61-L140 HydrophobicContact CB-CD1 3.97Å; L61-L140 WeakPolarHBondContact O-CD2 3.46Å; L67-L140 HydrophobicContact CD1-CD2 3.27Å; L67-L140 HydrophobicContact CG-CD2 4.41Å; T117-L140 HydrophobicContact CG2-CB 4.26Å; T117-L140 HydrophobicContact CG2-CD2 3.71Å; F135-L140 HydrophobicContact CD2-CB 3.93Å; F135-L140 HydrophobicContact CE2-CB 3.47Å; F135-L140 VanDerWaalsContact CE2-CB 3.47Å; F135-L140 HydrophobicContact CE2-CD2 3.99Å; F135-L140 HydrophobicContact CE2-CG 4.34Å; F135-L140 HydrophobicContact CZ-CB 4.38Å; F135-L140 HydrophobicContact CZ-CD2 4.21Å; E136-L140 PolarHBondContact O-N 2.66Å; S137-L140 PolarHBondContact O-N 3.48Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.14Å; L140-L142 PolarHBondContact O-N 2.86Å; L140-H143 PolarHBondContact O-CD2 3.11Å; L140-H143 VanDerWaalsContact O-CD2 3.24Å; L140-H143 PolarHBondContact O-N 2.92Å; L140-V149 HydrophobicContact CB-CG2 3.95Å; L140-V149 HydrophobicContact CD1-CG1 4.21Å; L140-V149 HydrophobicContact CD1-CG2 3.93Å; L140-V149 HydrophobicContact CG-CG2 4.49Å
141V97.9Very high96.7Very high3 Ų354.6 Ų54.62%0.01827%0.271CS..Hα-helixtrans-62.8-29-170.1173.30000112.5D62 A113 R114 S137 E138D62-V141 WeakPolarHBondContact O-CG2 3.5Å; A113-V141 HydrophobicContact CB-CG1 4.05Å; A113-V141 HydrophobicContact CB-CG2 4.03Å; R114-V141 HydrophobicContact CB-CG2 4.45Å; R114-V141 HydrophobicContact CG-CB 4.01Å; R114-V141 HydrophobicContact CG-CG1 3.94Å; R114-V141 HydrophobicContact CG-CG2 3.83Å; S137-V141 WeakPolarHBondContact O-CB 3.05Å; S137-V141 WeakPolarHBondContact O-CG2 3.04Å; S137-V141 PolarHBondContact O-N 2.83Å; E138-V141 PolarHBondContact O-N 2.96Å
142L96.6Very high96.9Very high67 Ų6748.9 Ų48.935%0.35124%0.244SC..THydrogen-bonded Turntrans-104.68.9175-57.1-179.5000113.2E138 L140 K144E138-L142 HydrophobicContact CB-CD1 4.45Å; E138-L142 VanDerWaalsContact O-CB 3.29Å; E138-L142 WeakPolarHBondContact O-CB 3.47Å; E138-L142 PolarHBondContact O-N 3.41Å; L140-L142 PolarHBondContact O-N 2.86Å; L142-K144 HydrophobicContact CB-CD 4.18Å; L142-K144 HydrophobicContact CB-CG 3.98Å; L142-K144 HydrophobicContact CD1-CD 4.36Å; L142-K144 PolarHBondContact O-N 2.93Å; L142-K144 VanDerWaalsContact O-N 3.17Å
143H95.4Very high97Very high67 Ų6742.1 Ų42.131%0.3120%0.202SC..THydrogen-bonded Turntrans56.730.2179.3-63.1-150.2000114M58 D59 D62 G139 L140M58-H143 WeakPolarHBondContact CB-ND1 3.41Å; M58-H143 HydrophobicContact CE-CB 4.32Å; D59-H143 IonicContact OD1-CE1 2.69Å; D59-H143 PolarHBondContact OD1-CE1 3.29Å; D59-H143 VanDerWaalsContact OD1-CE1 3.24Å; D62-H143 VanDerWaalsContact CB-NE2 3.34Å; D62-H143 WeakPolarHBondContact CB-NE2 3.28Å; D62-H143 IonicContact OD2-CD2 2.74Å; D62-H143 IonicContact OD2-CE1 2.82Å; D62-H143 IonicContact OD2-NE2 2.61Å; D62-H143 PolarHBondContact OD2-NE2 3.47Å; G139-H143 CarbonylContact O-C 3.51Å; G139-H143 PolarHBondContact O-N 2.78Å; L140-H143 PolarHBondContact O-CD2 3.11Å; L140-H143 VanDerWaalsContact O-CD2 3.24Å; L140-H143 PolarHBondContact O-N 2.92Å
144K93.9Very high97.2Very high145 Ų14540.9 Ų40.963%0.6319%0.193SC*.SBendtrans-87.4-21.9-178.6-66.9-176.4177.8-178.50114.1G139 L142G139-K144 PolarHBondContact O-N 3.32Å; L142-K144 HydrophobicContact CB-CD 4.18Å; L142-K144 HydrophobicContact CB-CG 3.98Å; L142-K144 HydrophobicContact CD1-CD 4.36Å; L142-K144 PolarHBondContact O-N 2.93Å; L142-K144 VanDerWaalsContact O-N 3.17Å
145Q95.4Very high97.2Very high37 Ų3741.4 Ų41.417%0.17320%0.195CC..  trans-126.450.4-175.2-64.6175.419.300112.9E136 G139 R147 E148 V149E136-Q145 PolarHBondContact OE2-NE2 3.49Å; G139-Q145 PolarHBondContact O-N 3.15Å; Q145-R147 PolarHBondContact O-N 3.06Å; Q145-E148 WeakPolarHBondContact CA-OE2 3.3Å; Q145-E148 HydrophobicContact CB-CB 4.18Å; Q145-E148 HydrophobicContact CB-CG 4.44Å; Q145-E148 WeakPolarHBondContact CB-OE2 3.49Å; Q145-E148 PolarHBondContact O-N 3.46Å; Q145-V149 VanDerWaalsContact O-CG2 3.29Å; Q145-V149 WeakPolarHBondContact O-CG2 3.35Å; Q145-V149 PolarHBondContact O-N 2.85Å
146P96.1Very high97.2Very high30 Ų3041.2 Ų41.220%0.19519%0.194CC..Hα-helixtrans-62.2-31.1-176.826.6-35.3000112.9L33 M58 C150L33-P146 HydrophobicContact CD1-CB 3.95Å; L33-P146 HydrophobicContact CD1-CG 3.87Å; M58-P146 HydrophobicContact CE-CB 3.96Å; M58-P146 HydrophobicContact CG-CB 4.46Å; M58-P146 HydrophobicContact SD-CB 3.85Å; P146-C150 PolarHBondContact O-N 3.16Å; P146-C150 VanDerWaalsContact O-N 3.14Å; P146-C150 PolarHBondContact O-SG 3.14Å
147R94.8Very high97.1Very high133 Ų13336 Ų3650%0.50217%0.17SC..Hα-helixtrans-67.7-48.7178.4179.8173.1-176.2-81.2-4.6111L33 Q145 V149 C150 L151L33-R147 HydrophobicContact CD1-CB 4.01Å; L33-R147 HydrophobicContact CD2-CB 3.82Å; L33-R147 HydrophobicContact CD2-CG 3.87Å; Q145-R147 PolarHBondContact O-N 3.06Å; R147-V149 VanDerWaalsContact C-N 3.32Å; R147-V149 PolarHBondContact O-N 2.82Å; R147-C150 WeakPolarHBondContact O-CB 3.45Å; R147-C150 PolarHBondContact O-N 3.39Å; R147-C150 VanDerWaalsContact O-N 3.15Å; R147-L151 HydrophobicContact CG-CD1 4.14Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 3.21Å
148E96.9Very high97.1Very high64 Ų6437.1 Ų37.130%0.29917%0.169SC..Hα-helixtrans-66.4-37.4-178.1-63.461.5-139.300110.4F135 Q145 C150 L151 C152F135-E148 HydrophobicContact CB-CB 3.63Å; Q145-E148 WeakPolarHBondContact CA-OE2 3.3Å; Q145-E148 HydrophobicContact CB-CB 4.18Å; Q145-E148 HydrophobicContact CB-CG 4.44Å; Q145-E148 WeakPolarHBondContact CB-OE2 3.49Å; Q145-E148 PolarHBondContact O-N 3.46Å; E148-C150 PolarHBondContact O-N 3.17Å; E148-L151 PolarHBondContact O-N 3.5Å; E148-C152 WeakPolarHBondContact O-CB 3.35Å; E148-C152 PolarHBondContact O-N 3.13Å
149V98.4Very high97Very high0 Ų033.5 Ų33.50%015%0.153CC..Hα-helixtrans-56.6-48.8169.9172.40000110.9F57 F135 L140 Q145 R147 L151 C152 L153F57-V149 HydrophobicContact CE1-CG1 4.28Å; F135-V149 HydrophobicContact CB-CG2 4.29Å; F135-V149 HydrophobicContact CD1-CB 4.35Å; F135-V149 HydrophobicContact CD1-CG2 3.93Å; F135-V149 HydrophobicContact CD2-CG2 3.63Å; F135-V149 HydrophobicContact CE1-CG2 4.14Å; F135-V149 HydrophobicContact CE2-CG2 3.9Å; F135-V149 HydrophobicContact CG-CG2 3.69Å; F135-V149 HydrophobicContact CZ-CG2 4.14Å; L140-V149 HydrophobicContact CB-CG2 3.95Å; L140-V149 HydrophobicContact CD1-CG1 4.21Å; L140-V149 HydrophobicContact CD1-CG2 3.93Å; L140-V149 HydrophobicContact CG-CG2 4.49Å; Q145-V149 VanDerWaalsContact O-CG2 3.29Å; Q145-V149 WeakPolarHBondContact O-CG2 3.35Å; Q145-V149 PolarHBondContact O-N 2.85Å; R147-V149 VanDerWaalsContact C-N 3.32Å; R147-V149 PolarHBondContact O-N 2.82Å; V149-L151 PolarHBondContact O-N 2.75Å; V149-C152 PolarHBondContact O-N 3.21Å; V149-L153 HydrophobicContact CG1-CD1 4.06Å; V149-L153 WeakPolarHBondContact O-CG 3.25Å; V149-L153 PolarHBondContact O-N 3.22Å; V149-L153 VanDerWaalsContact O-N 3.09Å
150C97.9Very high97Very high0 Ų033.5 Ų33.50%015%0.153CC..Hα-helixtrans-62.3-43.3178.3-65.80000112M36 L40 P146 R147 E148 L153 L154M36-C150 HydrophobicContact CB-CB 4.24Å; M36-C150 HydrophobicContact CE-CB 3.76Å; L40-C150 VanDerWaalsContact CD1-CA 3.47Å; L40-C150 HydrophobicContact CD1-CB 3.66Å; L40-C150 WeakPolarHBondContact CD1-O 3.17Å; P146-C150 PolarHBondContact O-N 3.16Å; P146-C150 VanDerWaalsContact O-N 3.14Å; P146-C150 PolarHBondContact O-SG 3.14Å; R147-C150 WeakPolarHBondContact O-CB 3.45Å; R147-C150 PolarHBondContact O-N 3.39Å; R147-C150 VanDerWaalsContact O-N 3.15Å; E148-C150 PolarHBondContact O-N 3.17Å; C150-L153 PolarHBondContact O-N 3.34Å; C150-L154 WeakPolarHBondContact O-CG 3.49Å; C150-L154 PolarHBondContact O-N 3.32Å
151L96.8Very high96.9Very high55 Ų5534.6 Ų34.629%0.28816%0.16SC..Hα-helixtrans-64.7-41.4179.2-68.1175000112.3M36 R147 E148 V149 L153 L154 E155M36-L151 HydrophobicContact CE-CD2 3.68Å; M36-L151 HydrophobicContact CE-CG 4.23Å; R147-L151 HydrophobicContact CG-CD1 4.14Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 3.21Å; E148-L151 PolarHBondContact O-N 3.5Å; V149-L151 PolarHBondContact O-N 2.75Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 2.83Å; L151-L154 PolarHBondContact O-N 3.36Å; L151-E155 PolarHBondContact O-N 2.92Å
152C98.5Very high96.7Very high0 Ų042.5 Ų42.50%019%0.189CC..Hα-helixtrans-58.8-46.3174.9-175.90000111.5C133 F135 E148 V149 E155 L156C133-C152 WeakPolarHBondContact O-CA 3.5Å; C133-C152 WeakPolarHBondContact O-CB 3.49Å; C133-C152 PolarHBondContact O-N 3.27Å; F135-C152 HydrophobicContact CD1-CB 3.65Å; F135-C152 HydrophobicContact CE1-CB 3.95Å; E148-C152 WeakPolarHBondContact O-CB 3.35Å; E148-C152 PolarHBondContact O-N 3.13Å; V149-C152 PolarHBondContact O-N 3.21Å; C152-E155 PolarHBondContact O-N 3.38Å; C152-L156 PolarHBondContact O-N 2.56Å
153L98.7Very high96.5Very high0 Ų041.1 Ų41.10%018%0.18CC..Hα-helixtrans-69.7-35.5-179.7-68.9171.3000112.5L40 L44 F57 L61 L67 L70 F120 V149 C150 L151 L156 G157L40-L153 HydrophobicContact CD1-CB 4.01Å; L40-L153 HydrophobicContact CD1-CD1 4.35Å; L40-L153 HydrophobicContact CD2-CB 3.76Å; L40-L153 HydrophobicContact CG-CB 4.49Å; L44-L153 HydrophobicContact CD1-CD1 4.34Å; F57-L153 HydrophobicContact CZ-CD1 3.71Å; L61-L153 HydrophobicContact CD1-CD1 4.22Å; L67-L153 HydrophobicContact CD2-CD2 3.98Å; L70-L153 HydrophobicContact CD2-CD2 3.73Å; F120-L153 HydrophobicContact CZ-CD2 4.14Å; V149-L153 HydrophobicContact CG1-CD1 4.06Å; V149-L153 WeakPolarHBondContact O-CG 3.25Å; V149-L153 PolarHBondContact O-N 3.22Å; V149-L153 VanDerWaalsContact O-N 3.09Å; C150-L153 PolarHBondContact O-N 3.34Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 2.83Å; L153-L156 HydrophobicContact CD2-CD1 4.26Å; L153-L156 PolarHBondContact O-N 3.25Å; L153-G157 PolarHBondContact O-N 3.5Å
154L98.1Very high96.5Very high10 Ų1044.2 Ų44.25%0.05220%0.199CC..Hα-helixtrans-64.4-40.6171.8-75.1172.5000111.8M36 L40 C150 L151 G157 R158 P168 L170 I171M36-L154 HydrophobicContact CE-CD1 3.34Å; L40-L154 HydrophobicContact CD1-CG 4.33Å; L40-L154 HydrophobicContact CD2-CD2 3.91Å; L40-L154 HydrophobicContact CD2-CG 4.07Å; L40-L154 HydrophobicContact CG-CD2 4.36Å; L40-L154 HydrophobicContact CG-CG 4.42Å; C150-L154 WeakPolarHBondContact O-CG 3.49Å; C150-L154 PolarHBondContact O-N 3.32Å; L151-L154 PolarHBondContact O-N 3.36Å; L154-G157 PolarHBondContact O-N 2.6Å; L154-R158 PolarHBondContact O-N 3.5Å; L154-P168 HydrophobicContact CD2-CB 4.02Å; L154-P168 HydrophobicContact CD2-CG 4.19Å; L154-L170 HydrophobicContact CD1-CD1 4.2Å; L154-L170 HydrophobicContact CD2-CB 4.11Å; L154-L170 HydrophobicContact CD2-CD1 4.21Å; L154-I171 HydrophobicContact CB-CD1 4.29Å; L154-I171 HydrophobicContact CD2-CD1 4.26Å; L154-I171 HydrophobicContact CD2-CG1 4.14Å
155E97.8Very high96.6Very high32 Ų3237.8 Ų37.815%0.1517%0.171CC..Hα-helixtrans-63.8-42174.2-177.957.2-158.600111.5V129 C133 L151 C152 G157 R158 I159V129-E155 HydrophobicContact CB-CG 4.48Å; V129-E155 HydrophobicContact CG1-CB 4.39Å; V129-E155 HydrophobicContact CG1-CG 3.96Å; V129-E155 HydrophobicContact CG2-CG 4.39Å; C133-E155 HydrophobicContact CB-CB 4.21Å; C133-E155 HydrophobicContact CB-CG 4.26Å; L151-E155 PolarHBondContact O-N 2.92Å; C152-E155 PolarHBondContact O-N 3.38Å; E155-G157 VanDerWaalsContact C-N 3.33Å; E155-G157 PolarHBondContact O-N 2.81Å; E155-R158 WeakPolarHBondContact O-CB 3.46Å; E155-R158 PolarHBondContact O-N 2.9Å; E155-R158 VanDerWaalsContact O-N 3.16Å; E155-R158 IonicContact OE2-CZ 2.88Å; E155-R158 IonicContact OE2-NH1 3.12Å; E155-R158 PolarHBondContact OE2-NH1 3.25Å; E155-I159 HydrophobicContact CG-CD1 4.38Å; E155-I159 WeakPolarHBondContact O-CG1 3.4Å; E155-I159 PolarHBondContact O-N 2.91Å
156L98Very high96.6Very high0 Ų042 Ų420%019%0.191CC..Hα-helixtrans-59.7-42.4170.9-79.2175.4000112.3F120 W123 V127 V129 C152 L153 R158 I159 A160F120-L156 HydrophobicContact CE2-CD1 3.87Å; F120-L156 HydrophobicContact CZ-CD1 3.46Å; F120-L156 VanDerWaalsContact CZ-CD1 3.46Å; W123-L156 HydrophobicContact CH2-CD2 4.41Å; W123-L156 HydrophobicContact CZ3-CD1 4.41Å; W123-L156 HydrophobicContact CZ3-CD2 3.75Å; V127-L156 HydrophobicContact CG2-CD2 3.83Å; V129-L156 HydrophobicContact CG2-CD2 3.4Å; V129-L156 HydrophobicContact CG2-CG 3.78Å; C152-L156 PolarHBondContact O-N 2.56Å; L153-L156 HydrophobicContact CD2-CD1 4.26Å; L153-L156 PolarHBondContact O-N 3.25Å; L156-R158 VanDerWaalsContact C-N 3.3Å; L156-R158 PolarHBondContact O-N 3Å; L156-I159 PolarHBondContact O-N 3.38Å; L156-A160 WeakPolarHBondContact O-CB 3.48Å; L156-A160 PolarHBondContact O-N 2.99Å
157G98.1Very high96.7Very high0 Ų040.9 Ų40.90%018%0.184CC..Hα-helixtrans-59-40.217400000112.6L153 L154 E155 A160 S161L153-G157 PolarHBondContact O-N 3.5Å; L154-G157 PolarHBondContact O-N 2.6Å; E155-G157 VanDerWaalsContact C-N 3.33Å; E155-G157 PolarHBondContact O-N 2.81Å; G157-A160 PolarHBondContact O-N 2.8Å; G157-S161 WeakPolarHBondContact O-CB 3.44Å; G157-S161 PolarHBondContact O-N 2.93Å
158R97Very high96.9Very high57 Ų5734.6 Ų34.622%0.21516%0.16CC..Hα-helixtrans-63.1-45.8174.6-173.8-177.6-73.1103.1-1.2111.9L154 E155 L156 I171 E174L154-R158 PolarHBondContact O-N 3.5Å; E155-R158 WeakPolarHBondContact O-CB 3.46Å; E155-R158 PolarHBondContact O-N 2.9Å; E155-R158 VanDerWaalsContact O-N 3.16Å; E155-R158 IonicContact OE2-CZ 2.88Å; E155-R158 IonicContact OE2-NH1 3.12Å; E155-R158 PolarHBondContact OE2-NH1 3.25Å; L156-R158 VanDerWaalsContact C-N 3.3Å; L156-R158 PolarHBondContact O-N 3Å; R158-I171 HydrophobicContact CB-CD1 4.33Å; R158-I171 HydrophobicContact CB-CG2 4.33Å; R158-E174 IonicContact CZ-OE1 2.83Å; R158-E174 IonicContact CZ-OE2 3.73Å; R158-E174 IonicContact NE-OE1 3.24Å; R158-E174 PolarHBondContact NE-OE1 3.04Å; R158-E174 IonicContact NH2-OE1 3.72Å; R158-E174 PolarHBondContact NH2-OE1 2.73Å; R158-E174 IonicContact NH2-OE2 2.97Å; R158-E174 PolarHBondContact NH2-OE2 3.17Å
159I96.1Very high96.9Very high4 Ų432.1 Ų32.12%0.02115%0.152CC..Hα-helixtrans-63.7-48.5175.9-67.1169.3000110.4V129 E155 L156 S161 R162 Y163V129-I159 HydrophobicContact CB-CD1 4.47Å; V129-I159 HydrophobicContact CG2-CD1 3.69Å; E155-I159 HydrophobicContact CG-CD1 4.38Å; E155-I159 WeakPolarHBondContact O-CG1 3.4Å; E155-I159 PolarHBondContact O-N 2.91Å; L156-I159 PolarHBondContact O-N 3.38Å; I159-S161 PolarHBondContact O-N 3.33Å; I159-R162 VanDerWaalsContact O-CB 3.29Å; I159-R162 WeakPolarHBondContact O-CB 3.47Å; I159-R162 PolarHBondContact O-N 2.8Å; I159-Y163 HydrophobicContact CG2-CE2 4.09Å; I159-Y163 WeakPolarHBondContact O-CD2 3.22Å
160A96.3Very high96.9Very high0 Ų032.1 Ų32.10%015%0.152CC..Hα-helixtrans-58.8-34.8-177.700000112.2L74 F78 L156 G157 R162 Y163 V165L74-A160 HydrophobicContact CD2-CB 3.97Å; F78-A160 VanDerWaalsContact CE1-CA 3.47Å; F78-A160 HydrophobicContact CE1-CB 3.67Å; F78-A160 HydrophobicContact CZ-CB 3.84Å; L156-A160 WeakPolarHBondContact O-CB 3.48Å; L156-A160 PolarHBondContact O-N 2.99Å; G157-A160 PolarHBondContact O-N 2.8Å; A160-R162 PolarHBondContact O-N 3.44Å; A160-Y163 CarbonylContact O-C 3.55Å; A160-Y163 WeakPolarHBondContact O-CA 3.47Å; A160-Y163 PolarHBondContact O-N 2.95Å; A160-V165 HydrophobicContact CB-CB 3.89Å; A160-V165 HydrophobicContact CB-CG1 4.21Å; A160-V165 HydrophobicContact CB-CG2 4.35Å; A160-V165 WeakPolarHBondContact O-CB 3.44Å; A160-V165 PolarHBondContact O-N 3.15Å
161S95.8Very high96.9Very high22 Ų2232.2 Ų32.215%0.15415%0.153CC..G310 helixtrans-64.1-20.5175.9-154.60000114.9G157 I159 Y163 V165 P167 K175G157-S161 WeakPolarHBondContact O-CB 3.44Å; G157-S161 PolarHBondContact O-N 2.93Å; I159-S161 PolarHBondContact O-N 3.33Å; S161-Y163 PolarHBondContact O-N 3.13Å; S161-V165 VanDerWaalsContact CA-O 3.3Å; S161-V165 WeakPolarHBondContact CA-O 3.09Å; S161-P167 WeakPolarHBondContact OG-CG 3.41Å; S161-K175 VanDerWaalsContact CB-NZ 3.29Å; S161-K175 PolarHBondContact OG-NZ 2.6Å
162R94.1Very high96.9Very high169 Ų16933.8 Ų33.864%0.63816%0.157SC*.G310 helixtrans-73.9-15.3172.8-56.8178.7-175.31584.1112.4I159 A160I159-R162 VanDerWaalsContact O-CB 3.29Å; I159-R162 WeakPolarHBondContact O-CB 3.47Å; I159-R162 PolarHBondContact O-N 2.8Å; A160-R162 PolarHBondContact O-N 3.44Å
163Y93.4Very high96.8Very high38 Ų3834.7 Ų34.715%0.14916%0.162CC..G310 helixtrans-113.433.6179-59.4-78.1000111.4F78 S81 I95 I159 A160 S161 V165F78-Y163 HydrophobicContact CB-CD1 4.06Å; F78-Y163 HydrophobicContact CB-CD2 4.33Å; F78-Y163 HydrophobicContact CB-CG 3.93Å; F78-Y163 VanDerWaalsContact CD1-CB 3.41Å; F78-Y163 AromaticContact CD1-CD2 3.68Å; F78-Y163 HydrophobicContact CD1-CD2 3.68Å; F78-Y163 AromaticContact CD1-CG 3.67Å; F78-Y163 HydrophobicContact CD1-CG 3.67Å; F78-Y163 HydrophobicContact CD2-CD2 4.07Å; F78-Y163 HydrophobicContact CD2-CE2 4.24Å; F78-Y163 AromaticContact CE1-CD2 3.9Å; F78-Y163 HydrophobicContact CE1-CD2 3.9Å; F78-Y163 HydrophobicContact CE1-CG 4.29Å; F78-Y163 HydrophobicContact CE2-CD2 4.25Å; F78-Y163 HydrophobicContact CE2-CE2 4.43Å; F78-Y163 HydrophobicContact CG-CD1 4.4Å; F78-Y163 AromaticContact CG-CD2 3.78Å; F78-Y163 HydrophobicContact CG-CD2 3.78Å; F78-Y163 HydrophobicContact CG-CE2 4.33Å; F78-Y163 AromaticContact CG-CG 3.81Å; F78-Y163 HydrophobicContact CG-CG 3.81Å; F78-Y163 HydrophobicContact CZ-CD2 4.16Å; S81-Y163 VanDerWaalsContact CB-O 3.31Å; S81-Y163 WeakPolarHBondContact CB-O 3.41Å; S81-Y163 WeakPolarHBondContact OG-CA 3.35Å; S81-Y163 PolarHBondContact OG-O 2.94Å; I95-Y163 HydrophobicContact CD1-CD1 3.97Å; I95-Y163 HydrophobicContact CD1-CE1 3.42Å; I95-Y163 VanDerWaalsContact CD1-CE1 3.42Å; I95-Y163 HydrophobicContact CD1-CE2 4.35Å; I95-Y163 HydrophobicContact CG1-CE1 4.34Å; I159-Y163 HydrophobicContact CG2-CE2 4.09Å; I159-Y163 WeakPolarHBondContact O-CD2 3.22Å; A160-Y163 CarbonylContact O-C 3.55Å; A160-Y163 WeakPolarHBondContact O-CA 3.47Å; A160-Y163 PolarHBondContact O-N 2.95Å; S161-Y163 PolarHBondContact O-N 3.13Å; Y163-V165 PolarHBondContact O-N 3.06Å
164N93.8Very high96.7Very high133 Ų13335.2 Ų35.271%0.71116%0.164SC*.THydrogen-bonded Turntrans58.916.9177.2-63.175.1000115.4S81S81-N164 PolarHBondContact OG-OD1 2.85Å
165V96.1Very high96.5Very high9 Ų938.8 Ų38.86%0.05518%0.18CC..PPolyproline II helixtrans-82.5129.9170.4-175.80000109I47 L74 K77 F78 A160 S161 Y163 P167I47-V165 HydrophobicContact CD1-CG1 4Å; L74-V165 HydrophobicContact CD2-CG1 4.02Å; L74-V165 HydrophobicContact CD2-CG2 4.42Å; K77-V165 HydrophobicContact CB-CG2 3.75Å; K77-V165 HydrophobicContact CD-CG1 4.22Å; K77-V165 HydrophobicContact CD-CG2 3.89Å; K77-V165 HydrophobicContact CG-CG2 4.45Å; F78-V165 HydrophobicContact CD1-CG2 4.14Å; F78-V165 HydrophobicContact CE1-CG2 3.97Å; A160-V165 HydrophobicContact CB-CB 3.89Å; A160-V165 HydrophobicContact CB-CG1 4.21Å; A160-V165 HydrophobicContact CB-CG2 4.35Å; A160-V165 WeakPolarHBondContact O-CB 3.44Å; A160-V165 PolarHBondContact O-N 3.15Å; S161-V165 VanDerWaalsContact CA-O 3.3Å; S161-V165 WeakPolarHBondContact CA-O 3.09Å; Y163-V165 PolarHBondContact O-N 3.06Å; V165-P167 WeakPolarHBondContact O-CD 3.43Å
166E96.8Very high96.3Very high125 Ų12541.2 Ų41.258%0.58419%0.191SC*.PPolyproline II helixtrans-61.3122.6178.3-171.167.8174.300110.4W43 K172W43-E166 PolarHBondContact NE1-O 3.21Å; E166-K172 WeakPolarHBondContact OE1-CE 3.2Å; E166-K172 IonicContact OE1-NZ 3.6Å; E166-K172 PolarHBondContact OE1-NZ 3.45Å
167P97.6Very high96.1Very high7 Ų741.3 Ų41.35%0.04519%0.192CC..PPolyproline II helixtrans-85170.6-174.434.7-36.2000112.6S161 V165 I171 K172S161-P167 WeakPolarHBondContact OG-CG 3.41Å; V165-P167 WeakPolarHBondContact O-CD 3.43Å; P167-I171 HydrophobicContact CB-CB 3.94Å; P167-I171 HydrophobicContact CB-CG2 3.77Å; P167-I171 HydrophobicContact CG-CB 4.5Å; P167-I171 HydrophobicContact CG-CG2 4.22Å; P167-K172 HydrophobicContact CG-CG 3.78Å; P167-K172 WeakPolarHBondContact O-CE 3.47Å
168P98.3Very high95.9Very high1 Ų145.6 Ų45.61%0.00621%0.211CC..PPolyproline II helixtrans-56.7153.4168.5-20.330.6000112.1D39 L40 W43 L154 L170 I171 K172D39-P168 VanDerWaalsContact OD2-CB 3.23Å; D39-P168 WeakPolarHBondContact OD2-CB 3.48Å; L40-P168 HydrophobicContact CD2-CB 4.46Å; L40-P168 HydrophobicContact CD2-CG 4.05Å; W43-P168 HydrophobicContact CB-CB 4.24Å; W43-P168 HydrophobicContact CB-CG 4.11Å; W43-P168 HydrophobicContact CD2-CG 3.62Å; W43-P168 HydrophobicContact CE3-CG 4.05Å; W43-P168 HydrophobicContact CG-CB 4.22Å; W43-P168 HydrophobicContact CG-CG 3.64Å; L154-P168 HydrophobicContact CD2-CB 4.02Å; L154-P168 HydrophobicContact CD2-CG 4.19Å; P168-L170 VanDerWaalsContact C-N 3.29Å; P168-L170 PolarHBondContact O-N 3.3Å; P168-I171 HydrophobicContact CB-CG1 4.41Å; P168-I171 HydrophobicContact CG-CG1 4.33Å; P168-I171 WeakPolarHBondContact O-CB 3.29Å; P168-I171 PolarHBondContact O-N 2.92Å; P168-K172 PolarHBondContact O-N 3.3Å; P168-K172 VanDerWaalsContact O-N 3.09Å
169G98.1Very high95.6Very high13 Ų1348.8 Ų48.813%0.13423%0.229CC..Hα-helixtrans-55-41-179.300000113.2D39 I171 K172 L173D39-G169 WeakPolarHBondContact OD1-CA 3.45Å; D39-G169 PolarHBondContact OD1-N 3.12Å; D39-G169 PolarHBondContact OD2-N 3.49Å; G169-I171 VanDerWaalsContact C-N 3.27Å; G169-I171 PolarHBondContact O-N 3.25Å; G169-K172 WeakPolarHBondContact O-CB 3.43Å; G169-K172 PolarHBondContact O-N 3Å; G169-K172 VanDerWaalsContact O-N 3.1Å; G169-L173 WeakPolarHBondContact O-CG 3.27Å; G169-L173 PolarHBondContact O-N 3.04Å
170L97.8Very high95.4Very high0 Ų051.3 Ų51.30%024%0.24CC..Hα-helixtrans-59.9-37.1176.3-75.7172.1000112.9M36 D39 L154 P168 L173 E174 L275 M281 W288M36-L170 HydrophobicContact CB-CD1 4.48Å; M36-L170 HydrophobicContact CG-CD1 3.97Å; D39-L170 HydrophobicContact CB-CD1 4.44Å; D39-L170 WeakPolarHBondContact OD2-CB 3.32Å; D39-L170 WeakPolarHBondContact OD2-CG 3.18Å; D39-L170 PolarHBondContact OD2-N 3.39Å; L154-L170 HydrophobicContact CD1-CD1 4.2Å; L154-L170 HydrophobicContact CD2-CB 4.11Å; L154-L170 HydrophobicContact CD2-CD1 4.21Å; P168-L170 VanDerWaalsContact C-N 3.29Å; P168-L170 PolarHBondContact O-N 3.3Å; L170-L173 PolarHBondContact O-N 3.03Å; L170-E174 PolarHBondContact O-N 3.05Å; L170-L275 HydrophobicContact CD1-CD2 4.34Å; L170-L275 HydrophobicContact CD2-CD1 4.18Å; L170-L275 HydrophobicContact CD2-CD2 3.75Å; L170-L275 HydrophobicContact CD2-CG 4.46Å; L170-L275 HydrophobicContact CG-CD1 4.08Å; L170-L275 HydrophobicContact CG-CD2 3.84Å; L170-M281 HydrophobicContact CD2-CE 4.18Å; L170-M281 HydrophobicContact CD2-CG 4.25Å; L170-W288 HydrophobicContact CD2-CB 4.16Å; L170-W288 HydrophobicContact CD2-CD2 3.84Å; L170-W288 HydrophobicContact CD2-CE3 4.33Å; L170-W288 HydrophobicContact CD2-CG 3.76Å; L170-W288 WeakPolarHBondContact O-CZ2 3.4Å; L170-W288 PolarHBondContact O-NE1 2.07Å
171I97.6Very high95Very high1 Ų157 Ų571%0.00527%0.267CS..Hα-helixtrans-73.9-33.5177.1-58-55.6000110.8L154 R158 P167 P168 G169 E174 K175L154-I171 HydrophobicContact CB-CD1 4.29Å; L154-I171 HydrophobicContact CD2-CD1 4.26Å; L154-I171 HydrophobicContact CD2-CG1 4.14Å; R158-I171 HydrophobicContact CB-CD1 4.33Å; R158-I171 HydrophobicContact CB-CG2 4.33Å; P167-I171 HydrophobicContact CB-CB 3.94Å; P167-I171 HydrophobicContact CB-CG2 3.77Å; P167-I171 HydrophobicContact CG-CB 4.5Å; P167-I171 HydrophobicContact CG-CG2 4.22Å; P168-I171 HydrophobicContact CB-CG1 4.41Å; P168-I171 HydrophobicContact CG-CG1 4.33Å; P168-I171 WeakPolarHBondContact O-CB 3.29Å; P168-I171 PolarHBondContact O-N 2.92Å; G169-I171 VanDerWaalsContact C-N 3.27Å; G169-I171 PolarHBondContact O-N 3.25Å; I171-E174 WeakPolarHBondContact O-CB 3.36Å; I171-E174 PolarHBondContact O-N 2.97Å; I171-K175 WeakPolarHBondContact O-CG 3.38Å; I171-K175 PolarHBondContact O-N 3.3Å; I171-K175 VanDerWaalsContact O-N 3.08Å
172K97.4Very high94.7Very high88 Ų8865.2 Ų65.238%0.38330%0.295SS..Hα-helixtrans-62.8-45.2171.9-60-178.2-159.2-175.90111.3E166 P167 P168 G169 E174 K175 E176E166-K172 WeakPolarHBondContact OE1-CE 3.2Å; E166-K172 IonicContact OE1-NZ 3.6Å; E166-K172 PolarHBondContact OE1-NZ 3.45Å; P167-K172 HydrophobicContact CG-CG 3.78Å; P167-K172 WeakPolarHBondContact O-CE 3.47Å; P168-K172 PolarHBondContact O-N 3.3Å; P168-K172 VanDerWaalsContact O-N 3.09Å; G169-K172 WeakPolarHBondContact O-CB 3.43Å; G169-K172 PolarHBondContact O-N 3Å; G169-K172 VanDerWaalsContact O-N 3.1Å; K172-E174 VanDerWaalsContact C-N 3.27Å; K172-E174 PolarHBondContact O-N 3.43Å; K172-K175 PolarHBondContact O-N 2.79Å; K172-E176 PolarHBondContact O-N 3.26Å
173L96.6Very high94.1Very high20 Ų2059.7 Ų59.711%0.10529%0.285CS..Hα-helixtrans-62.7-36176.4-65.5176.3000111.6G169 L170 E176 I177 R273 L275 W288G169-L173 WeakPolarHBondContact O-CG 3.27Å; G169-L173 PolarHBondContact O-N 3.04Å; L170-L173 PolarHBondContact O-N 3.03Å; L173-E176 PolarHBondContact O-N 2.8Å; L173-I177 WeakPolarHBondContact O-CG1 3.44Å; L173-I177 PolarHBondContact O-N 3.4Å; L173-R273 HydrophobicContact CB-CG 4.48Å; L173-R273 HydrophobicContact CD1-CB 3.85Å; L173-R273 HydrophobicContact CD2-CB 3.93Å; L173-R273 HydrophobicContact CD2-CG 4.06Å; L173-R273 HydrophobicContact CG-CB 4.33Å; L173-L275 HydrophobicContact CD1-CB 4.22Å; L173-L275 HydrophobicContact CD1-CD1 4.04Å; L173-W288 HydrophobicContact CB-CH2 3.65Å; L173-W288 HydrophobicContact CB-CZ2 3.76Å
174E95.8Very high92.7Very high10 Ų1063.6 Ų63.65%0.04732%0.315CS..Hα-helixtrans-62.3-49.7175.6177.6175.1102.800110.9R158 L170 I171 K172 E176 I177 E178 R283 W288R158-E174 IonicContact CZ-OE1 2.83Å; R158-E174 IonicContact CZ-OE2 3.73Å; R158-E174 IonicContact NE-OE1 3.24Å; R158-E174 PolarHBondContact NE-OE1 3.04Å; R158-E174 IonicContact NH2-OE1 3.72Å; R158-E174 PolarHBondContact NH2-OE1 2.73Å; R158-E174 IonicContact NH2-OE2 2.97Å; R158-E174 PolarHBondContact NH2-OE2 3.17Å; L170-E174 PolarHBondContact O-N 3.05Å; I171-E174 WeakPolarHBondContact O-CB 3.36Å; I171-E174 PolarHBondContact O-N 2.97Å; K172-E174 VanDerWaalsContact C-N 3.27Å; K172-E174 PolarHBondContact O-N 3.43Å; E174-E176 VanDerWaalsContact C-N 3.3Å; E174-E176 PolarHBondContact O-N 3.26Å; E174-I177 PolarHBondContact O-N 2.97Å; E174-I177 VanDerWaalsContact O-N 3.14Å; E174-E178 HydrophobicContact CG-CG 4.47Å; E174-E178 WeakPolarHBondContact O-CG 3.36Å; E174-E178 PolarHBondContact O-N 2.91Å; E174-R283 IonicContact OE2-NE 3.74Å; E174-R283 IonicContact OE2-NH2 3.65Å; E174-W288 HydrophobicContact CB-CZ2 4.07Å
175K94Very high91.4Very high86 Ų8664.2 Ų64.237%0.37432%0.318SS..Hα-helixtrans-61.8-37.2177.3-71.1-178.3171.1-164.50112.9S161 I171 K172 I177 E178 Q179S161-K175 VanDerWaalsContact CB-NZ 3.29Å; S161-K175 PolarHBondContact OG-NZ 2.6Å; I171-K175 WeakPolarHBondContact O-CG 3.38Å; I171-K175 PolarHBondContact O-N 3.3Å; I171-K175 VanDerWaalsContact O-N 3.08Å; K172-K175 PolarHBondContact O-N 2.79Å; K175-I177 VanDerWaalsContact C-N 3.35Å; K175-E178 PolarHBondContact O-N 3.25Å; K175-Q179 WeakPolarHBondContact O-CB 3.29Å; K175-Q179 PolarHBondContact O-N 2.79Å
176E94.3Very high89.7Confident82 Ų8269 Ų6938%0.38335%0.349SS..Hα-helixtrans-59.4-46.9173.7-176.5-170133.300110.8K172 L173 E174 Q179 E180 R273K172-E176 PolarHBondContact O-N 3.26Å; L173-E176 PolarHBondContact O-N 2.8Å; E174-E176 VanDerWaalsContact C-N 3.3Å; E174-E176 PolarHBondContact O-N 3.26Å; E176-Q179 PolarHBondContact O-N 3.17Å; E176-E180 WeakPolarHBondContact O-CG 3.49Å; E176-E180 PolarHBondContact O-N 3.41Å; E176-R273 IonicContact OE1-CZ 2.6Å; E176-R273 IonicContact OE1-NE 3.7Å; E176-R273 PolarHBondContact OE1-NE 2.85Å; E176-R273 IonicContact OE1-NH2 3.12Å
177I94.2Very high87.9Confident3 Ų368.4 Ų68.42%0.01536%0.356CS..Hα-helixtrans-64.6-47.6178.1-68.5165.9000111.1L173 E174 K175 Q179 E180 E181 F271 R273 R283 W288L173-I177 WeakPolarHBondContact O-CG1 3.44Å; L173-I177 PolarHBondContact O-N 3.4Å; E174-I177 PolarHBondContact O-N 2.97Å; E174-I177 VanDerWaalsContact O-N 3.14Å; K175-I177 VanDerWaalsContact C-N 3.35Å; I177-Q179 PolarHBondContact O-N 3.35Å; I177-E180 WeakPolarHBondContact O-CB 3.2Å; I177-E180 PolarHBondContact O-N 3.25Å; I177-E181 HydrophobicContact CG2-CG 4.28Å; I177-E181 WeakPolarHBondContact O-CG 3.29Å; I177-E181 PolarHBondContact O-N 3.45Å; I177-F271 HydrophobicContact CB-CD1 4.47Å; I177-F271 HydrophobicContact CD1-CB 3.69Å; I177-F271 HydrophobicContact CD1-CG 4.33Å; I177-F271 HydrophobicContact CG1-CB 4.07Å; I177-F271 HydrophobicContact CG1-CD1 4.09Å; I177-F271 HydrophobicContact CG1-CG 4.24Å; I177-F271 HydrophobicContact CG2-CB 4.2Å; I177-F271 HydrophobicContact CG2-CD1 3.77Å; I177-F271 HydrophobicContact CG2-CD2 3.91Å; I177-F271 HydrophobicContact CG2-CE1 4.03Å; I177-F271 HydrophobicContact CG2-CE2 4.19Å; I177-F271 HydrophobicContact CG2-CG 3.7Å; I177-F271 HydrophobicContact CG2-CZ 4.25Å; I177-R273 HydrophobicContact CD1-CG 4.23Å; I177-R283 HydrophobicContact CD1-CB 4.01Å; I177-R283 HydrophobicContact CD1-CG 4.29Å; I177-W288 HydrophobicContact CD1-CH2 3.47Å; I177-W288 VanDerWaalsContact CD1-CH2 3.47Å; I177-W288 HydrophobicContact CD1-CZ2 4.21Å; I177-W288 HydrophobicContact CD1-CZ3 4.22Å
178E92.9Very high86Confident89 Ų8974 Ų7442%0.41639%0.392SS..Hα-helixtrans-57.6-37.9178.5-72.4177.2173.700111.9E174 K175 E181 R182E174-E178 HydrophobicContact CG-CG 4.47Å; E174-E178 WeakPolarHBondContact O-CG 3.36Å; E174-E178 PolarHBondContact O-N 2.91Å; K175-E178 PolarHBondContact O-N 3.25Å; E178-E181 PolarHBondContact O-N 2.83Å; E178-R182 WeakPolarHBondContact O-CB 3.42Å; E178-R182 PolarHBondContact O-N 3.09Å; E178-R182 VanDerWaalsContact O-N 3.1Å
179Q91.9Very high84.2Confident125 Ų12578.8 Ų78.858%0.58443%0.426SS*.Hα-helixtrans-68.3-40.1175.9-175.262.731.800112.1K175 E176 I177 E181 R182 A183K175-Q179 WeakPolarHBondContact O-CB 3.29Å; K175-Q179 PolarHBondContact O-N 2.79Å; E176-Q179 PolarHBondContact O-N 3.17Å; I177-Q179 PolarHBondContact O-N 3.35Å; Q179-E181 VanDerWaalsContact C-N 3.35Å; Q179-R182 PolarHBondContact O-N 3.27Å; Q179-A183 PolarHBondContact O-N 2.78Å; Q179-A183 VanDerWaalsContact O-N 3.14Å
180E90.6Very high82.2Confident56 Ų5683.9 Ų83.926%0.26246%0.457SS..Hα-helixtrans-67.4-32.5175.4-77.2-178.4-159.400113.4E176 I177 R262 R273E176-E180 WeakPolarHBondContact O-CG 3.49Å; E176-E180 PolarHBondContact O-N 3.41Å; I177-E180 WeakPolarHBondContact O-CB 3.2Å; I177-E180 PolarHBondContact O-N 3.25Å; E180-R262 PolarHBondContact O-NH2 2.92Å; E180-R262 IonicContact OE2-NE 3.38Å; E180-R262 IonicContact OE2-NH2 3.55Å; E180-R273 IonicContact OE1-CZ 2.67Å; E180-R273 IonicContact OE1-NH2 2.63Å; E180-R273 PolarHBondContact OE1-NH2 3.16Å; E180-R273 IonicContact OE2-NH2 2.81Å; E180-R273 PolarHBondContact OE2-NH2 3.46Å
181E88.9Confident79.8Confident120 Ų12090.4 Ų90.456%0.56150%0.496SS*.Hα-helixtrans-74.1-32.5176.4-73.2-177.8132.100111.9I177 E178 Q179 F271I177-E181 HydrophobicContact CG2-CG 4.28Å; I177-E181 WeakPolarHBondContact O-CG 3.29Å; I177-E181 PolarHBondContact O-N 3.45Å; E178-E181 PolarHBondContact O-N 2.83Å; Q179-E181 VanDerWaalsContact C-N 3.35Å; E181-F271 HydrophobicContact CG-CE1 4.27Å; E181-F271 HydrophobicContact CG-CE2 3.89Å; E181-F271 HydrophobicContact CG-CZ 3.47Å; E181-F271 VanDerWaalsContact CG-CZ 3.47Å; E181-F271 WeakPolarHBondContact OE1-CE2 3.46Å
182R87.8Confident77.8Confident195 Ų19595.3 Ų95.374%0.73653%0.53SS*.Hα-helixtrans-77.7-23.7176.3-170.6170.7-66.2160.14.4113.3E178 Q179E178-R182 WeakPolarHBondContact O-CB 3.42Å; E178-R182 PolarHBondContact O-N 3.09Å; E178-R182 VanDerWaalsContact O-N 3.1Å; Q179-R182 PolarHBondContact O-N 3.27Å
183A81.5Confident75.5Confident52 Ų5296.9 Ų96.943%0.4355%0.55SS..SBendtrans-66.2128.6-179.800000110.8Q179Q179-A183 PolarHBondContact O-N 2.78Å; Q179-A183 VanDerWaalsContact O-N 3.14Å
184P65.3Low73.2Confident120 Ų120100.2 Ų100.278%0.77958%0.58SS**PPolyproline II helixtrans-61.8143.3174.923.4-30.1000110.2
185L65.3Low71.3Confident147 Ų147105.3 Ų105.377%0.7761%0.614SS**PPolyproline II helixtrans-56.4135.8174.3-67.5172.6000108.9
186P62.1Low69.4Low110 Ų110106.2 Ų106.271%0.71463%0.628SS**PPolyproline II helixtrans-56.9141.7174.623.5-31.4000109.1
187P59Low67Low112 Ų112108.5 Ų108.573%0.72765%0.65SS**PPolyproline II helixtrans-57146177.623.9-32.3000109.4S189P187-S189 PolarHBondContact O-N 3.27Å; P187-S189 VanDerWaalsContact O-N 3.17Å
188P57.3Low64.5Low123 Ų123116 Ų11680%0.79969%0.69SS**PPolyproline II helixtrans-55.5127.2174.224-31.9000108.3
189S59.2Low61.9Low103 Ų103117.2 Ų117.272%0.7271%0.708SS**PPolyproline II helixtrans-49.5136.5175.2-57.90000109.3P187 V191P187-S189 PolarHBondContact O-N 3.27Å; P187-S189 VanDerWaalsContact O-N 3.17Å; S189-V191 PolarHBondContact O-N 3.35Å; S189-V191 VanDerWaalsContact O-N 3.12Å
190P56.9Low59.5Low120 Ų120116.7 Ų116.778%0.77972%0.718SS**PPolyproline II helixtrans-57.2124.6176.721.9-30.2000108.5S192P190-S192 PolarHBondContact O-N 2.97Å
191V48.3Very low57.4Low137 Ų137119.6 Ų119.683%0.8374%0.742SS**  trans-61.4105.2173.5-1760000106.4S189S189-V191 PolarHBondContact O-N 3.35Å; S189-V191 VanDerWaalsContact O-N 3.12Å
192S55.3Low54.8Low103 Ų103118.6 Ų118.672%0.7275%0.748SS**PPolyproline II helixtrans-57.7126.5169.3-65.10000108P190 A194P190-S192 PolarHBondContact O-N 2.97Å; S192-A194 PolarHBondContact O-N 3.36Å
193P47.4Very low52.4Low122 Ų122114.5 Ų114.579%0.79275%0.75SS**PPolyproline II helixtrans-61.7134.1178.522.2-29.1000109.6
194A48.9Very low50.1Low89 Ų89117.9 Ų117.974%0.73677%0.77SS**PPolyproline II helixtrans-56.1139.1179.300000111S192S192-A194 PolarHBondContact O-N 3.36Å
195P57.2Low48.8Very low118 Ų118117.6 Ų117.677%0.76677%0.771SS**PPolyproline II helixtrans-67.9147.8171.627.9-30.6000110.2
196P52.2Low48Very low104 Ų104116 Ų11668%0.67577%0.769SS**PPolyproline II helixtrans-68.6155.5178.230.3-33.3000110.6L198P196-L198 PolarHBondContact O-N 3.24Å
197P44.5Very low46.6Very low130 Ų130116 Ų11684%0.84477%0.772SS**PPolyproline II helixtrans-74.4127-178.531.7-30.7000108.8
198L42.4Very low46.2Very low162 Ų162116.2 Ų116.285%0.84877%0.773SS**  trans-109.4139.3163.5-97.4108.3000110.7P196P196-L198 PolarHBondContact O-N 3.24Å
199S37.7Very low44.9Very low114 Ų114115.4 Ų115.480%0.79777%0.77SS**  trans-61.1149.3-168.5-41.90000114.4
200S41.8Very low43.6Very low114 Ų114115.7 Ų115.780%0.79777%0.773SS**  trans-61.9154.4162.541.20000111.3
201P45.3Very low42.5Very low116 Ų116115.4 Ų115.475%0.75377%0.773SS**  -147.2151.593.237.7-19.6000116.9
202S34.9Very low42.4Very low100 Ų100114.7 Ų114.770%0.69977%0.771SS**  trans38.7118.5143610000123.8
203S37.7Very low41.4Very low109 Ų109115.9 Ų115.976%0.76278%0.775SS**  51.3116.4128.965.80000122.1
204S34.3Very low41.6Very low122 Ų122115.4 Ų115.485%0.85377%0.772SS**  164.6132.8112.655.50000112.1
205S36.9Very low40.5Very low114 Ų114116.7 Ų116.780%0.79777%0.77SS**  trans-88.1-179.6164-480000110.3
206P48.8Very low39.2Very low113 Ų113115.6 Ų115.673%0.73477%0.766SS**  cis-137.6165.80.938.2-18.2000117.3
207S33.2Very low38.3Very low112 Ų112116.5 Ų116.578%0.78377%0.769SS**  trans40.8168.2144.3-52.80000123.7
208P50.3Low38.1Very low116 Ų116115.7 Ų115.775%0.75376%0.764SS**  cis-129.4-174.9-40.235.8-17.1000112.9
209S29.1Very low37.6Very low105 Ų105114.4 Ų114.473%0.73476%0.763SS**  trans115.6137.7146.175.50000120.9
210S32.4Very low37.7Very low110 Ų110115.1 Ų115.177%0.76976%0.763SS**  trans86.6110.6151.1-14.10000121.1
211S34.4Very low37.3Very low114 Ų114116 Ų11680%0.79776%0.763SS**  trans-54.3171.1148-240000111.6
212P45.9Very low37.2Very low121 Ų121120.3 Ų120.379%0.78677%0.77SS**  cis-139.4174.732.134.5-10.7000117.5
213T33.3Very low37.4Very low129 Ų129122.2 Ų122.279%0.79178%0.777SS**  trans-54.2-177.8165.742.70000115
214P52.4Low37.6Very low112 Ų112121.8 Ų121.873%0.72777%0.77SS**  cis-134.7-176.1-1.827.9-3.8000114.1
215T26.4Very low38Very low116 Ų116120.9 Ų120.971%0.71276%0.764SS**  156.4118.6125.8-67.10000113.7
216S29.9Very low38.7Very low95 Ų95120.3 Ų120.366%0.66476%0.76SS**  trans52.6142.6150.463.50000119.7
217T31.5Very low38.8Very low123 Ų123122.8 Ų122.876%0.75576%0.759SS**  cis-167.3168.732.3-10.10000108.1
218P41.7Very low39.9Very low112 Ų112125.7 Ų125.773%0.72776%0.758SS**  trans-87144.8-161.435.8-31.2000111.8
219T30.7Very low40.8Very low136 Ų136121.9 Ų121.983%0.83474%0.739SS**  trans-124.9122.5158.9-12.60000109.4
220T40.8Very low43Very low128 Ų128119.4 Ų119.479%0.78573%0.725SS**  trans-64.8118.7-175.742.70000112.5
221T33.9Very low45.3Very low132 Ų132114.4 Ų114.481%0.8169%0.691SS**  trans-142.290152.238.20000109.1
222K42Very low47.9Very low208 Ų208115.5 Ų115.590%0.90468%0.681SS**  trans-102.460.2-178-163.7-174.3-177.2-179.10110.8
223V40Very low50.1Low139 Ų139114.8 Ų114.884%0.84267%0.67SS**SBendtrans-158.767163.4-165.50000111.5
224T40.9Very low53.1Low101 Ų101109 Ų10962%0.6264%0.635SS**  trans-156.1-12166.846.20000116.7S226 K227 K228T224-S226 PolarHBondContact O-N 2.9Å; T224-K227 PolarHBondContact O-N 3.18Å; T224-K228 PolarHBondContact O-N 3.1Å
225S43.7Very low55.1Low102 Ų102104.5 Ų104.571%0.71361%0.605SS**Hα-helixtrans-61.7-38.3-171480000114G229S225-G229 PolarHBondContact O-N 3.23Å
226S50.7Low58.3Low102 Ų102101.9 Ų101.971%0.71359%0.586SS**Hα-helixtrans-71.8-39.3-176.3-41.50000113.5T224 G229 A230T224-S226 PolarHBondContact O-N 2.9Å; S226-G229 PolarHBondContact O-N 2.93Å; S226-A230 PolarHBondContact O-N 3.45Å
227K51.5Low61.4Low166 Ų16698.6 Ų98.672%0.72256%0.564SS**Hα-helixtrans-70.3-34.2177.8-78.5-172.7176.9-177.60112.2T224 G229 G231T224-K227 PolarHBondContact O-N 3.18Å; K227-G229 VanDerWaalsContact C-N 3.33Å; K227-G231 PolarHBondContact O-N 3.49Å
228K56.3Low64.4Low173 Ų17392.9 Ų92.975%0.75253%0.53SS*.Hα-helixtrans-66.5-36.3176.9-145.8173.5-174.5177.70111.7T224 K232T224-K228 PolarHBondContact O-N 3.1Å; K228-K232 PolarHBondContact O-N 3.45Å
229G68.7Low66.9Low35 Ų3594.3 Ų94.336%0.36152%0.521SS..Hα-helixtrans-67.4-46.9175.500000113.3S225 S226 K227 G231 K232 L233S225-G229 PolarHBondContact O-N 3.23Å; S226-G229 PolarHBondContact O-N 2.93Å; K227-G229 VanDerWaalsContact C-N 3.33Å; G229-G231 PolarHBondContact O-N 3.47Å; G229-K232 PolarHBondContact O-N 2.84Å; G229-L233 WeakPolarHBondContact O-CG 3.3Å; G229-L233 PolarHBondContact O-N 3.44Å
230A75.7Confident69.8Low54 Ų5493.7 Ų93.745%0.44651%0.508SS..Hα-helixtrans-62.5-40.9179.400000112.8S226 L233 L234S226-A230 PolarHBondContact O-N 3.45Å; A230-L233 PolarHBondContact O-N 2.93Å; A230-L234 PolarHBondContact O-N 2.97Å; A230-L234 VanDerWaalsContact O-N 3.12Å
231G81.3Confident72.3Confident5 Ų589.3 Ų89.35%0.05248%0.479CS..Hα-helixtrans-61.6-43.8175.100000112.5K227 G229 L233 L234 D235K227-G231 PolarHBondContact O-N 3.49Å; G229-G231 PolarHBondContact O-N 3.47Å; G231-L233 PolarHBondContact O-N 3.26Å; G231-L234 PolarHBondContact O-N 3.36Å; G231-D235 VanDerWaalsContact O-CG 3.23Å; G231-D235 PolarHBondContact O-N 3.37Å; G231-D235 VanDerWaalsContact O-OD2 3.07Å
232K89.1Confident74.9Confident136 Ų13684 Ų8459%0.59145%0.449SS*.Hα-helixtrans-62.5-43177.5-170.4-173174.6-162.40112.1K228 G229 L234 D235 D236K228-K232 PolarHBondContact O-N 3.45Å; G229-K232 PolarHBondContact O-N 2.84Å; K232-L234 VanDerWaalsContact C-N 3.33Å; K232-L234 PolarHBondContact O-N 2.83Å; K232-D235 PolarHBondContact O-N 3.21Å; K232-D236 WeakPolarHBondContact O-CB 3.5Å; K232-D236 PolarHBondContact O-N 3.27Å
233L92.2Very high77.1Confident106 Ų10678.6 Ų78.656%0.55543%0.43SS*.Hα-helixtrans-59.8-42.8176.6-71.7172.5000112G229 A230 G231 A237G229-L233 WeakPolarHBondContact O-CG 3.3Å; G229-L233 PolarHBondContact O-N 3.44Å; A230-L233 PolarHBondContact O-N 2.93Å; G231-L233 PolarHBondContact O-N 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.3Å; L233-A237 PolarHBondContact O-N 3.05Å
234L94.8Very high79.2Confident9 Ų976.2 Ų76.25%0.04741%0.412CS..Hα-helixtrans-62.2-48174.917764.4000111.4A230 G231 K232 D236 A237 V238 Y263 I272 M274 V280A230-L234 PolarHBondContact O-N 2.97Å; A230-L234 VanDerWaalsContact O-N 3.12Å; G231-L234 PolarHBondContact O-N 3.36Å; K232-L234 VanDerWaalsContact C-N 3.33Å; K232-L234 PolarHBondContact O-N 2.83Å; L234-D236 VanDerWaalsContact C-N 3.34Å; L234-D236 PolarHBondContact O-N 3.24Å; L234-A237 PolarHBondContact O-N 2.7Å; L234-V238 HydrophobicContact CD1-CG2 3.98Å; L234-V238 HydrophobicContact CG-CG2 4.31Å; L234-V238 WeakPolarHBondContact O-CB 3.34Å; L234-V238 VanDerWaalsContact O-CG2 3.3Å; L234-V238 WeakPolarHBondContact O-CG2 3.45Å; L234-V238 PolarHBondContact O-N 2.81Å; L234-Y263 HydrophobicContact CD2-CE2 4.22Å; L234-I272 HydrophobicContact CD1-CG2 4.18Å; L234-M274 HydrophobicContact CD1-CB 4.23Å; L234-M274 HydrophobicContact CD1-CE 4.45Å; L234-V280 HydrophobicContact CD1-CG1 4.12Å
235D94.4Very high80.9Confident17 Ų1773.5 Ų73.59%0.09140%0.396CS..Hα-helixtrans-61.1-42.7-179.2-66.4-43.1000112.5G231 K232 R239 R257 Y263G231-D235 VanDerWaalsContact O-CG 3.23Å; G231-D235 PolarHBondContact O-N 3.37Å; G231-D235 VanDerWaalsContact O-OD2 3.07Å; K232-D235 PolarHBondContact O-N 3.21Å; D235-R239 VanDerWaalsContact O-CB 3.3Å; D235-R239 WeakPolarHBondContact O-CB 3.48Å; D235-R239 PolarHBondContact O-N 3.5Å; D235-R257 VanDerWaalsContact OD1-CD 3.22Å; D235-R257 WeakPolarHBondContact OD1-CD 3.4Å; D235-R257 IonicContact OD1-CZ 3.27Å; D235-R257 IonicContact OD1-NE 3.86Å; D235-R257 PolarHBondContact OD1-NE 3.36Å; D235-R257 IonicContact OD1-NH1 3.96Å; D235-R257 IonicContact OD2-CZ 3.63Å; D235-R257 IonicContact OD2-NE 3.84Å; D235-R257 IonicContact OD2-NH1 2.78Å; D235-R257 PolarHBondContact OD2-NH1 2.97Å; D235-R257 IonicContact OD2-NH2 3.08Å; D235-Y263 PolarHBondContact OD1-OH 2.75Å
236D94.3Very high82.4Confident61 Ų6173.6 Ų73.633%0.32640%0.395SS..Hα-helixtrans-66.7-40.4178.5-70.8-24.7000110.8K232 L234 R239 H240K232-D236 WeakPolarHBondContact O-CB 3.5Å; K232-D236 PolarHBondContact O-N 3.27Å; L234-D236 VanDerWaalsContact C-N 3.34Å; L234-D236 PolarHBondContact O-N 3.24Å; D236-R239 PolarHBondContact O-N 2.65Å; D236-R239 IonicContact OD1-CZ 3.21Å; D236-R239 IonicContact OD1-NH1 3.54Å; D236-R239 PolarHBondContact OD1-NH1 3.46Å; D236-R239 IonicContact OD1-NH2 2.82Å; D236-H240 WeakPolarHBondContact O-CB 3.37Å; D236-H240 PolarHBondContact O-N 3.42Å
237A94.8Very high83.5Confident25 Ų2570.6 Ų70.621%0.20737%0.373CS..Hα-helixtrans-66.5-43.9175.400000112.7L233 L234 R239 H240 I241 M274 V280L233-A237 WeakPolarHBondContact O-CB 3.3Å; L233-A237 PolarHBondContact O-N 3.05Å; L234-A237 PolarHBondContact O-N 2.7Å; A237-R239 VanDerWaalsContact C-N 3.34Å; A237-R239 PolarHBondContact O-N 3.42Å; A237-H240 PolarHBondContact O-N 2.61Å; A237-I241 WeakPolarHBondContact O-CG1 3.47Å; A237-I241 PolarHBondContact O-N 3.5Å; A237-M274 HydrophobicContact CB-CE 3.69Å; A237-V280 HydrophobicContact CB-CG2 3.68Å
238V95.4Very high84.6Confident4 Ų474.6 Ų74.62%0.02438%0.384CS..Hα-helixtrans-61-44.8175.3169.40000110.3L234 H240 I241 A242 V255 Y263 I272 V280 F291L234-V238 HydrophobicContact CD1-CG2 3.98Å; L234-V238 HydrophobicContact CG-CG2 4.31Å; L234-V238 WeakPolarHBondContact O-CB 3.34Å; L234-V238 VanDerWaalsContact O-CG2 3.3Å; L234-V238 WeakPolarHBondContact O-CG2 3.45Å; L234-V238 PolarHBondContact O-N 2.81Å; V238-H240 VanDerWaalsContact C-N 3.33Å; V238-H240 PolarHBondContact O-N 3.02Å; V238-I241 PolarHBondContact O-N 2.67Å; V238-A242 VanDerWaalsContact O-CB 3.28Å; V238-A242 WeakPolarHBondContact O-CB 3.35Å; V238-A242 PolarHBondContact O-N 2.91Å; V238-V255 HydrophobicContact CG1-CG1 3.91Å; V238-Y263 HydrophobicContact CB-CE1 4.2Å; V238-Y263 HydrophobicContact CG1-CD1 3.9Å; V238-Y263 HydrophobicContact CG1-CE1 3.83Å; V238-Y263 HydrophobicContact CG2-CE1 4.29Å; V238-Y263 HydrophobicContact CG2-CE2 4.39Å; V238-I272 HydrophobicContact CG2-CD1 4.47Å; V238-I272 HydrophobicContact CG2-CG2 3.98Å; V238-V280 HydrophobicContact CG2-CG1 3.81Å; V238-F291 HydrophobicContact CB-CE1 4.44Å; V238-F291 HydrophobicContact CG1-CD1 4.41Å; V238-F291 HydrophobicContact CG1-CE1 3.76Å; V238-F291 HydrophobicContact CG1-CZ 4.12Å
239R93.1Very high85.6Confident142 Ų14268.7 Ų68.754%0.53636%0.364SS..Hα-helixtrans-61.5-42.6176.4-170.5-172.5-56.3122.48.5111.3D235 D236 A237 N243D235-R239 VanDerWaalsContact O-CB 3.3Å; D235-R239 WeakPolarHBondContact O-CB 3.48Å; D235-R239 PolarHBondContact O-N 3.5Å; D236-R239 PolarHBondContact O-N 2.65Å; D236-R239 IonicContact OD1-CZ 3.21Å; D236-R239 IonicContact OD1-NH1 3.54Å; D236-R239 PolarHBondContact OD1-NH1 3.46Å; D236-R239 IonicContact OD1-NH2 2.82Å; A237-R239 VanDerWaalsContact C-N 3.34Å; A237-R239 PolarHBondContact O-N 3.42Å; R239-N243 WeakPolarHBondContact CG-ND2 3.17Å; R239-N243 WeakPolarHBondContact O-CB 3.37Å; R239-N243 PolarHBondContact O-N 2.93Å; R239-N243 VanDerWaalsContact O-N 3.14Å; R239-N243 PolarHBondContact O-ND2 3.22Å
240H92.6Very high85.9Confident122 Ų12273.9 Ų73.957%0.56539%0.388SS*.Hα-helixtrans-61.5-53.5177.5-177.4-80.3000111.2D236 A237 V238 A242 N243 D244D236-H240 WeakPolarHBondContact O-CB 3.37Å; D236-H240 PolarHBondContact O-N 3.42Å; A237-H240 PolarHBondContact O-N 2.61Å; V238-H240 VanDerWaalsContact C-N 3.33Å; V238-H240 PolarHBondContact O-N 3.02Å; H240-A242 VanDerWaalsContact C-N 3.31Å; H240-A242 PolarHBondContact O-N 3.24Å; H240-N243 PolarHBondContact O-N 3.39Å; H240-D244 IonicContact CE1-OD2 3.89Å; H240-D244 WeakPolarHBondContact O-CB 3.34Å; H240-D244 PolarHBondContact O-N 2.97Å
241I91.8Very high85.8Confident36 Ų3678.1 Ų78.119%0.18540%0.404CS..Hα-helixtrans-60.1-40.9-179.3-66.5166.6000111.3A237 V238 N243 V280 F291 E292 L295 R302A237-I241 WeakPolarHBondContact O-CG1 3.47Å; A237-I241 PolarHBondContact O-N 3.5Å; V238-I241 PolarHBondContact O-N 2.67Å; I241-N243 PolarHBondContact O-N 3.31Å; I241-V280 HydrophobicContact CD1-CB 3.71Å; I241-V280 HydrophobicContact CD1-CG1 4.33Å; I241-V280 HydrophobicContact CD1-CG2 3.59Å; I241-F291 HydrophobicContact CB-CD1 3.87Å; I241-F291 HydrophobicContact CB-CE1 4.21Å; I241-F291 HydrophobicContact CD1-CD1 4.28Å; I241-F291 HydrophobicContact CG2-CD1 3.53Å; I241-F291 HydrophobicContact CG2-CE1 4Å; I241-F291 HydrophobicContact CG2-CG 4.38Å; I241-E292 HydrophobicContact CG2-CB 4.14Å; I241-L295 HydrophobicContact CG2-CD1 4.06Å; I241-R302 PolarHBondContact O-NH2 3.43Å
242A90Very high85.5Confident21 Ų2184.8 Ų84.817%0.17443%0.431CS..Hα-helixtrans-66.6-36-179.900000113.1V238 H240 V255 F291 L295 R302V238-A242 VanDerWaalsContact O-CB 3.28Å; V238-A242 WeakPolarHBondContact O-CB 3.35Å; V238-A242 PolarHBondContact O-N 2.91Å; H240-A242 VanDerWaalsContact C-N 3.31Å; H240-A242 PolarHBondContact O-N 3.24Å; A242-V255 HydrophobicContact CB-CB 4.02Å; A242-V255 HydrophobicContact CB-CG1 4.15Å; A242-V255 HydrophobicContact CB-CG2 3.93Å; A242-F291 HydrophobicContact CB-CE1 4.28Å; A242-L295 HydrophobicContact CB-CD1 4.46Å; A242-R302 PolarHBondContact O-NH2 2.83Å
243N87.2Confident85.2Confident94 Ų9480.7 Ų80.750%0.50341%0.413SS..Hα-helixtrans-95.1-7.5-174.6-68.1-63.9000114.5R239 H240 I241 P245 P246R239-N243 WeakPolarHBondContact CG-ND2 3.17Å; R239-N243 WeakPolarHBondContact O-CB 3.37Å; R239-N243 PolarHBondContact O-N 2.93Å; R239-N243 VanDerWaalsContact O-N 3.14Å; R239-N243 PolarHBondContact O-ND2 3.22Å; H240-N243 PolarHBondContact O-N 3.39Å; I241-N243 PolarHBondContact O-N 3.31Å; N243-P245 CarbonylContact O-C 3.58Å; N243-P246 VanDerWaalsContact O-CA 3.26Å; N243-P246 WeakPolarHBondContact O-CA 3.28Å; N243-P246 VanDerWaalsContact O-N 3.15Å
244D83.7Confident84.9Confident89 Ų8977.9 Ų77.948%0.47640%0.402SS..SBendtrans-112.3123.3178.3-168.538.6000111.5H240 R302H240-D244 IonicContact CE1-OD2 3.89Å; H240-D244 WeakPolarHBondContact O-CB 3.34Å; H240-D244 PolarHBondContact O-N 2.97Å; D244-R302 PolarHBondContact O-NH1 3.18Å; D244-R302 PolarHBondContact O-NH2 3.43Å
245P77.5Confident84.8Confident44 Ų4479.4 Ų79.429%0.28641%0.412SS..SBendcis-71.5152.1-5.630.7-34.7000112.7N243 C247N243-P245 CarbonylContact O-C 3.58Å; P245-C247 PolarHBondContact O-N 2.81Å; P245-C247 VanDerWaalsContact O-N 3.11Å
246P75.5Confident84.7Confident105 Ų10583.4 Ų83.468%0.68243%0.43SS*.  trans-65.3114.7-179.624.8-33.1000111.2N243N243-P246 VanDerWaalsContact O-CA 3.26Å; N243-P246 WeakPolarHBondContact O-CA 3.28Å; N243-P246 VanDerWaalsContact O-N 3.15Å
247C74.6Confident84.7Confident38 Ų3886.8 Ų86.826%0.25744%0.438SS..  trans-75.6133.8173.3144.50000110.6P245 C249 C301P245-C247 PolarHBondContact O-N 2.81Å; P245-C247 VanDerWaalsContact O-N 3.11Å; C247-C249 VanDerWaalsContact C-N 3.3Å; C247-C249 WeakPolarHBondContact CB-SG 3.33Å; C247-C249 WeakPolarHBondContact SG-CB 3.38Å; C247-C249 PolarHBondContact SG-N 3.23Å; C247-C249 CovalentContact SG-SG 2.07Å; C247-C249 PolarHBondContact SG-SG 3.09Å; C247-C301 HydrophobicContact CB-CB 4.26Å
248R74.4Confident84.6Confident251 Ų25191.3 Ų91.395%0.94746%0.455SS*.  trans-93.813.3177.4-59.4-175.6-179.4-164.8-0.3112.9
249C76.6Confident84.4Confident49 Ų4993.2 Ų93.233%0.33147%0.468SS..  trans-80.9140.1-171.6-18.50000109.2C247 N251 C301C247-C249 VanDerWaalsContact C-N 3.3Å; C247-C249 WeakPolarHBondContact CB-SG 3.33Å; C247-C249 WeakPolarHBondContact SG-CB 3.38Å; C247-C249 PolarHBondContact SG-N 3.23Å; C247-C249 CovalentContact SG-SG 2.07Å; C247-C249 PolarHBondContact SG-SG 3.09Å; C249-N251 VanDerWaalsContact C-N 3.31Å; C249-N251 PolarHBondContact O-N 3.17Å; C249-C301 PolarHBondContact SG-SG 3.21Å
250T74.3Confident84.4Confident143 Ų14391.2 Ų91.288%0.87747%0.465SS*.SBendtrans-62.2-40.2-177.8-44.50000111.9
251N73.6Confident84.4Confident144 Ų14485.4 Ų85.477%0.7744%0.438SS*.SBendtrans-104.8107.3172.2-68.9-23.1000108.8C249C249-N251 VanDerWaalsContact C-N 3.31Å; C249-N251 PolarHBondContact O-N 3.17Å
252K76.2Confident84.5Confident145 Ų14586.5 Ų86.563%0.6344%0.44SS*.PPolyproline II helixtrans-81.6144177.3-64.6-178.4-179.9-179.90110.2C254K252-C254 PolarHBondContact O-N 3.31Å
253F82.1Confident84.8Confident49 Ų4985.8 Ų85.822%0.21543%0.433CS..PPolyproline II helixtrans-62.4120.2169-171-110.5000109.4V255 V265 L295 H298 D299F253-V255 HydrophobicContact CD1-CG2 4.38Å; F253-V265 HydrophobicContact CD1-CG1 4.47Å; F253-V265 HydrophobicContact CE1-CG1 3.43Å; F253-V265 VanDerWaalsContact CE1-CG1 3.43Å; F253-V265 HydrophobicContact CZ-CG1 3.9Å; F253-L295 HydrophobicContact CD1-CD2 3.93Å; F253-L295 HydrophobicContact CE1-CD2 3.68Å; F253-H298 WeakPolarHBondContact CE2-O 3.38Å; F253-H298 HydrophobicContact CZ-CB 4.18Å; F253-D299 HydrophobicContact CB-CB 4.14Å; F253-D299 WeakPolarHBondContact CB-OD1 3.44Å; F253-D299 HydrophobicContact CD1-CB 3.84Å; F253-D299 HydrophobicContact CE1-CB 4.35Å; F253-D299 HydrophobicContact CG-CB 3.93Å
254C85.4Confident85.2Confident47 Ų4786.6 Ų86.632%0.31843%0.429SS..PPolyproline II helixtrans-78127.5-169.1-173.60000111.4K252 E256 V265 G266K252-C254 PolarHBondContact O-N 3.31Å; C254-E256 VanDerWaalsContact SG-CG 3.53Å; C254-E256 PolarHBondContact SG-OE1 3.43Å; C254-V265 CarbonylContact O-C 3.47Å; C254-V265 WeakPolarHBondContact O-CA 3.41Å; C254-G266 PolarHBondContact O-N 2.67Å
255V93Very high85.7Confident42 Ų4282.4 Ų82.426%0.25541%0.407SS..EExtended strand (participates in β ladder)trans-129.4100.6172.1-179.50000108.1V238 A242 F253 R264 V265 F291 L295V238-V255 HydrophobicContact CG1-CG1 3.91Å; A242-V255 HydrophobicContact CB-CB 4.02Å; A242-V255 HydrophobicContact CB-CG1 4.15Å; A242-V255 HydrophobicContact CB-CG2 3.93Å; F253-V255 HydrophobicContact CD1-CG2 4.38Å; V255-R264 CarbonylContact C-O 3.58Å; V255-R264 WeakPolarHBondContact CA-O 3.19Å; V255-V265 HydrophobicContact CG1-CG2 4.37Å; V255-V265 HydrophobicContact CG2-CG1 4.31Å; V255-F291 HydrophobicContact CG1-CZ 3.83Å; V255-F291 HydrophobicContact CG2-CZ 4.15Å; V255-L295 HydrophobicContact CG2-CD2 4.35Å
256E92.4Very high86.3Confident100 Ų10081.4 Ų81.447%0.46740%0.404SS..EExtended strand (participates in β ladder)trans-117.4132.8-176.3-77.8170.3-174.300110.7C254 H258 Y263 R264C254-E256 VanDerWaalsContact SG-CG 3.53Å; C254-E256 PolarHBondContact SG-OE1 3.43Å; E256-H258 PolarHBondContact O-N 2.97Å; E256-Y263 CarbonylContact O-C 3.59Å; E256-Y263 VanDerWaalsContact O-CA 3.28Å; E256-Y263 WeakPolarHBondContact O-CA 3.44Å; E256-R264 HydrophobicContact CB-CB 4.31Å; E256-R264 PolarHBondContact N-O 3.2Å; E256-R264 PolarHBondContact O-N 3.2Å; E256-R264 IonicContact OE2-NH1 3.84Å
257R94.8Very high86.9Confident132 Ų13286 Ų8650%0.49842%0.416SS..EExtended strand (participates in β ladder)trans-73.7123.2170.8-175.9-165.6177173.16.3109.2D235 Y263D235-R257 VanDerWaalsContact OD1-CD 3.22Å; D235-R257 WeakPolarHBondContact OD1-CD 3.4Å; D235-R257 IonicContact OD1-CZ 3.27Å; D235-R257 IonicContact OD1-NE 3.86Å; D235-R257 PolarHBondContact OD1-NE 3.36Å; D235-R257 IonicContact OD1-NH1 3.96Å; D235-R257 IonicContact OD2-CZ 3.63Å; D235-R257 IonicContact OD2-NE 3.84Å; D235-R257 IonicContact OD2-NH1 2.78Å; D235-R257 PolarHBondContact OD2-NH1 2.97Å; D235-R257 IonicContact OD2-NH2 3.08Å; R257-Y263 HydrophobicContact CB-CD1 3.93Å; R257-Y263 HydrophobicContact CB-CE1 3.76Å; R257-Y263 HydrophobicContact CG-CD1 4.27Å; R257-Y263 HydrophobicContact CG-CE1 3.82Å
258H92.3Very high87.7Confident121 Ų12189.5 Ų89.556%0.5643%0.427SS*.EExtended strand (participates in β ladder)trans-93.1-49.9173.3-179.7-85.9000111.4E256 R262 M269E256-H258 PolarHBondContact O-N 2.97Å; H258-R262 WeakPolarHBondContact CB-O 3.31Å; H258-R262 PolarHBondContact N-O 2.93Å; H258-M269 HydrophobicContact CB-CE 3.64Å
259S92.1Very high88.6Confident43 Ų4381.8 Ų81.830%0.30140%0.403SS..EExtended strand (participates in β ladder)trans-149.4179.9173.362.20000109.4G261 R262S259-G261 PolarHBondContact O-N 3.21Å; S259-G261 VanDerWaalsContact O-N 3.12Å; S259-R262 PolarHBondContact N-O 3.38Å; S259-R262 VanDerWaalsContact N-O 3.15Å; S259-R262 PolarHBondContact O-N 2.97Å; S259-R262 VanDerWaalsContact O-N 3.11Å; S259-R262 VanDerWaalsContact O-O 3.07Å; S259-R262 WeakPolarHBondContact OG-CB 3.47Å; S259-R262 WeakPolarHBondContact OG-CD 3.15Å
260Q91.3Very high89.5Confident100 Ų10080.3 Ų80.347%0.46739%0.391SS..THydrogen-bonded Turntrans-54.2124.4174.3179.2170.1-19.900110R262Q260-R262 PolarHBondContact O-N 3.34Å; Q260-R262 VanDerWaalsContact O-N 3.1Å
261G93.3Very high90.5Very high0 Ų074.9 Ų74.90%036%0.356CS..THydrogen-bonded Turntrans68.83.5178.100000115.8S259 F271 I272 R273S259-G261 PolarHBondContact O-N 3.21Å; S259-G261 VanDerWaalsContact O-N 3.12Å; G261-F271 CarbonylContact O-C 3.48Å; G261-F271 WeakPolarHBondContact O-CA 3.42Å; G261-I272 VanDerWaalsContact CA-O 3.3Å; G261-I272 WeakPolarHBondContact CA-O 3.49Å; G261-I272 PolarHBondContact O-N 3.14Å; G261-R273 PolarHBondContact O-NH1 3.49Å
262R95.1Very high91.6Very high60 Ų6068 Ų6823%0.22632%0.319CS..EExtended strand (participates in β ladder)trans-120.6122.8175.5-58.3-174.1-173.2-175.2-7.2109.9E180 H258 S259 Q260 L270 F271E180-R262 PolarHBondContact O-NH2 2.92Å; E180-R262 IonicContact OE2-NE 3.38Å; E180-R262 IonicContact OE2-NH2 3.55Å; H258-R262 WeakPolarHBondContact CB-O 3.31Å; H258-R262 PolarHBondContact N-O 2.93Å; S259-R262 PolarHBondContact N-O 3.38Å; S259-R262 VanDerWaalsContact N-O 3.15Å; S259-R262 PolarHBondContact O-N 2.97Å; S259-R262 VanDerWaalsContact O-N 3.11Å; S259-R262 VanDerWaalsContact O-O 3.07Å; S259-R262 WeakPolarHBondContact OG-CB 3.47Å; S259-R262 WeakPolarHBondContact OG-CD 3.15Å; Q260-R262 PolarHBondContact O-N 3.34Å; Q260-R262 VanDerWaalsContact O-N 3.1Å; R262-L270 WeakPolarHBondContact CA-O 3.28Å; R262-F271 HydrophobicContact CG-CD1 3.89Å; R262-F271 HydrophobicContact CG-CE1 3.75Å; R262-F271 HydrophobicContact CG-CZ 4.47Å; R262-F271 VanDerWaalsContact NE-CE1 3.25Å
263Y96Very high92.6Very high5 Ų561.7 Ų61.72%0.0229%0.291CS..EExtended strand (participates in β ladder)trans-128.1139.4-176.1-61.1-99.3000109.8L234 D235 V238 E256 R257 L270 I272L234-Y263 HydrophobicContact CD2-CE2 4.22Å; D235-Y263 PolarHBondContact OD1-OH 2.75Å; V238-Y263 HydrophobicContact CB-CE1 4.2Å; V238-Y263 HydrophobicContact CG1-CD1 3.9Å; V238-Y263 HydrophobicContact CG1-CE1 3.83Å; V238-Y263 HydrophobicContact CG2-CE1 4.29Å; V238-Y263 HydrophobicContact CG2-CE2 4.39Å; E256-Y263 CarbonylContact O-C 3.59Å; E256-Y263 VanDerWaalsContact O-CA 3.28Å; E256-Y263 WeakPolarHBondContact O-CA 3.44Å; R257-Y263 HydrophobicContact CB-CD1 3.93Å; R257-Y263 HydrophobicContact CB-CE1 3.76Å; R257-Y263 HydrophobicContact CG-CD1 4.27Å; R257-Y263 HydrophobicContact CG-CE1 3.82Å; Y263-L270 PolarHBondContact N-O 3.49Å; Y263-L270 PolarHBondContact O-N 3.34Å; Y263-I272 HydrophobicContact CD2-CB 3.66Å; Y263-I272 HydrophobicContact CD2-CD1 3.59Å; Y263-I272 HydrophobicContact CD2-CG1 3.62Å; Y263-I272 HydrophobicContact CE2-CB 3.82Å; Y263-I272 HydrophobicContact CE2-CD1 4.34Å; Y263-I272 HydrophobicContact CE2-CG1 4.3Å; Y263-I272 HydrophobicContact CG-CD1 3.79Å; Y263-I272 HydrophobicContact CG-CG1 4.28Å
264R95.6Very high93.3Very high111 Ų11161.3 Ų61.342%0.41929%0.291SS..EExtended strand (participates in β ladder)trans-84.2117164.7180175.8-69155.9-4.2107.5V255 E256 G266 K268 M269V255-R264 CarbonylContact C-O 3.58Å; V255-R264 WeakPolarHBondContact CA-O 3.19Å; E256-R264 HydrophobicContact CB-CB 4.31Å; E256-R264 PolarHBondContact N-O 3.2Å; E256-R264 PolarHBondContact O-N 3.2Å; E256-R264 IonicContact OE2-NH1 3.84Å; R264-G266 WeakPolarHBondContact CG-O 3.18Å; R264-K268 WeakPolarHBondContact CA-O 3.41Å; R264-M269 HydrophobicContact CB-SD 3.75Å; R264-M269 HydrophobicContact CG-SD 4.27Å
265V93.5Very high93.8Very high2 Ų259.2 Ų59.21%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-123.8104.8-178.1-1780000107.8F253 C254 V255 E267 K268 L270 I272 F291 Y294 L295F253-V265 HydrophobicContact CD1-CG1 4.47Å; F253-V265 HydrophobicContact CE1-CG1 3.43Å; F253-V265 VanDerWaalsContact CE1-CG1 3.43Å; F253-V265 HydrophobicContact CZ-CG1 3.9Å; C254-V265 CarbonylContact O-C 3.47Å; C254-V265 WeakPolarHBondContact O-CA 3.41Å; V255-V265 HydrophobicContact CG1-CG2 4.37Å; V255-V265 HydrophobicContact CG2-CG1 4.31Å; V265-E267 PolarHBondContact O-N 3.26Å; V265-K268 PolarHBondContact N-O 3.1Å; V265-K268 PolarHBondContact O-N 3.28Å; V265-K268 VanDerWaalsContact O-N 3.14Å; V265-L270 HydrophobicContact CB-CD1 3.71Å; V265-L270 HydrophobicContact CB-CG 4.41Å; V265-L270 HydrophobicContact CG1-CD1 4.19Å; V265-L270 HydrophobicContact CG2-CD1 3.88Å; V265-L270 HydrophobicContact CG2-CG 4.5Å; V265-I272 HydrophobicContact CG2-CD1 4.35Å; V265-F291 HydrophobicContact CG1-CE2 4.27Å; V265-F291 HydrophobicContact CG2-CE2 4.06Å; V265-Y294 HydrophobicContact CB-CE1 4.43Å; V265-Y294 HydrophobicContact CG1-CD1 4.2Å; V265-Y294 HydrophobicContact CG1-CE1 3.68Å; V265-L295 HydrophobicContact CG1-CD2 4.09Å
266G89.3Confident93.8Very high22 Ų2260.8 Ų60.823%0.22728%0.281CS..THydrogen-bonded Turntrans58.8-120.9-162.500000110.1C254 R264C254-G266 PolarHBondContact O-N 2.67Å; R264-G266 WeakPolarHBondContact CG-O 3.18Å
267E88.6Confident93.9Very high202 Ų20262.7 Ų62.794%0.94429%0.294SS*.THydrogen-bonded Turntrans-95.3-1.6179.1-61.2177.8170.300113.2V265V265-E267 PolarHBondContact O-N 3.26Å
268K91.6Very high93.8Very high111 Ų11162.4 Ų62.448%0.48330%0.296SS..EExtended strand (participates in β ladder)trans-104139.5-174.2-66.8-178.9-179.5177.10111.8R264 V265 L270 Y294R264-K268 WeakPolarHBondContact CA-O 3.41Å; V265-K268 PolarHBondContact N-O 3.1Å; V265-K268 PolarHBondContact O-N 3.28Å; V265-K268 VanDerWaalsContact O-N 3.14Å; K268-L270 HydrophobicContact CB-CD2 4.18Å; K268-L270 HydrophobicContact CB-CG 4.34Å; K268-Y294 WeakPolarHBondContact CD-OH 3.33Å
269M93.1Very high93.9Very high90 Ų9057.7 Ų57.744%0.44328%0.275SS..EExtended strand (participates in β ladder)trans-87.6121.6166.2-68.7-58.9-60.200109.1H258 R264H258-M269 HydrophobicContact CB-CE 3.64Å; R264-M269 HydrophobicContact CB-SD 3.75Å; R264-M269 HydrophobicContact CG-SD 4.27Å
270L95.1Very high94.2Very high17 Ų1756.2 Ų56.29%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-124.4145.2-176.7-57.9176.7000111.4R262 Y263 V265 K268 I272 V282 Y294R262-L270 WeakPolarHBondContact CA-O 3.28Å; Y263-L270 PolarHBondContact N-O 3.49Å; Y263-L270 PolarHBondContact O-N 3.34Å; V265-L270 HydrophobicContact CB-CD1 3.71Å; V265-L270 HydrophobicContact CB-CG 4.41Å; V265-L270 HydrophobicContact CG1-CD1 4.19Å; V265-L270 HydrophobicContact CG2-CD1 3.88Å; V265-L270 HydrophobicContact CG2-CG 4.5Å; K268-L270 HydrophobicContact CB-CD2 4.18Å; K268-L270 HydrophobicContact CB-CG 4.34Å; L270-I272 HydrophobicContact CB-CG1 4.48Å; L270-V282 HydrophobicContact CB-CG1 4.09Å; L270-V282 HydrophobicContact CD1-CG1 3.85Å; L270-V282 HydrophobicContact CD2-CG1 4.5Å; L270-V282 HydrophobicContact CG-CG1 4.38Å; L270-Y294 HydrophobicContact CD1-CD1 4.04Å; L270-Y294 HydrophobicContact CD1-CD2 4.46Å; L270-Y294 HydrophobicContact CD1-CE1 3.41Å; L270-Y294 VanDerWaalsContact CD1-CE1 3.41Å; L270-Y294 HydrophobicContact CD1-CE2 3.87Å; L270-Y294 WeakPolarHBondContact CD1-OH 3.26Å
271F96.1Very high94.4Very high30 Ų3051.6 Ų51.613%0.13224%0.242CC..EExtended strand (participates in β ladder)trans-88122.5167.4-66.8-92.4000109.6I177 E181 G261 R262 V282 R283I177-F271 HydrophobicContact CB-CD1 4.47Å; I177-F271 HydrophobicContact CD1-CB 3.69Å; I177-F271 HydrophobicContact CD1-CG 4.33Å; I177-F271 HydrophobicContact CG1-CB 4.07Å; I177-F271 HydrophobicContact CG1-CD1 4.09Å; I177-F271 HydrophobicContact CG1-CG 4.24Å; I177-F271 HydrophobicContact CG2-CB 4.2Å; I177-F271 HydrophobicContact CG2-CD1 3.77Å; I177-F271 HydrophobicContact CG2-CD2 3.91Å; I177-F271 HydrophobicContact CG2-CE1 4.03Å; I177-F271 HydrophobicContact CG2-CE2 4.19Å; I177-F271 HydrophobicContact CG2-CG 3.7Å; I177-F271 HydrophobicContact CG2-CZ 4.25Å; E181-F271 HydrophobicContact CG-CE1 4.27Å; E181-F271 HydrophobicContact CG-CE2 3.89Å; E181-F271 HydrophobicContact CG-CZ 3.47Å; E181-F271 VanDerWaalsContact CG-CZ 3.47Å; E181-F271 WeakPolarHBondContact OE1-CE2 3.46Å; G261-F271 CarbonylContact O-C 3.48Å; G261-F271 WeakPolarHBondContact O-CA 3.42Å; R262-F271 HydrophobicContact CG-CD1 3.89Å; R262-F271 HydrophobicContact CG-CE1 3.75Å; R262-F271 HydrophobicContact CG-CZ 4.47Å; R262-F271 VanDerWaalsContact NE-CE1 3.25Å; F271-V282 WeakPolarHBondContact O-CA 3.37Å; F271-R283 HydrophobicContact CB-CB 4.1Å; F271-R283 PolarHBondContact O-N 2.9Å
272I96.9Very high94.6Very high0 Ų051.6 Ų51.60%024%0.242CC..EExtended strand (participates in β ladder)trans-120.2136.5178.2-48.5-174.2000108.6L234 V238 G261 Y263 V265 L270 V280 M281 V282 F291L234-I272 HydrophobicContact CD1-CG2 4.18Å; V238-I272 HydrophobicContact CG2-CD1 4.47Å; V238-I272 HydrophobicContact CG2-CG2 3.98Å; G261-I272 VanDerWaalsContact CA-O 3.3Å; G261-I272 WeakPolarHBondContact CA-O 3.49Å; G261-I272 PolarHBondContact O-N 3.14Å; Y263-I272 HydrophobicContact CD2-CB 3.66Å; Y263-I272 HydrophobicContact CD2-CD1 3.59Å; Y263-I272 HydrophobicContact CD2-CG1 3.62Å; Y263-I272 HydrophobicContact CE2-CB 3.82Å; Y263-I272 HydrophobicContact CE2-CD1 4.34Å; Y263-I272 HydrophobicContact CE2-CG1 4.3Å; Y263-I272 HydrophobicContact CG-CD1 3.79Å; Y263-I272 HydrophobicContact CG-CG1 4.28Å; V265-I272 HydrophobicContact CG2-CD1 4.35Å; L270-I272 HydrophobicContact CB-CG1 4.48Å; I272-V280 HydrophobicContact CG2-CG1 3.37Å; I272-M281 CarbonylContact C-O 3.58Å; I272-M281 VanDerWaalsContact CA-O 3.25Å; I272-M281 WeakPolarHBondContact CA-O 3.41Å; I272-M281 WeakPolarHBondContact CG2-O 3.38Å; I272-V282 HydrophobicContact CD1-CG2 4.42Å; I272-V282 HydrophobicContact CG1-CG2 4.23Å; I272-F291 HydrophobicContact CD1-CD2 3.78Å; I272-F291 HydrophobicContact CD1-CE2 3.78Å; I272-F291 HydrophobicContact CD1-CG 4.35Å; I272-F291 HydrophobicContact CD1-CZ 4.35Å
273R96.4Very high94.6Very high12 Ų1251 Ų515%0.04524%0.24CC..EExtended strand (participates in β ladder)trans-137.3156.9-179-69.2-63.5-179-711.3111.3L173 E176 I177 E180 G261 M281L173-R273 HydrophobicContact CB-CG 4.48Å; L173-R273 HydrophobicContact CD1-CB 3.85Å; L173-R273 HydrophobicContact CD2-CB 3.93Å; L173-R273 HydrophobicContact CD2-CG 4.06Å; L173-R273 HydrophobicContact CG-CB 4.33Å; E176-R273 IonicContact OE1-CZ 2.6Å; E176-R273 IonicContact OE1-NE 3.7Å; E176-R273 PolarHBondContact OE1-NE 2.85Å; E176-R273 IonicContact OE1-NH2 3.12Å; I177-R273 HydrophobicContact CD1-CG 4.23Å; E180-R273 IonicContact OE1-CZ 2.67Å; E180-R273 IonicContact OE1-NH2 2.63Å; E180-R273 PolarHBondContact OE1-NH2 3.16Å; E180-R273 IonicContact OE2-NH2 2.81Å; E180-R273 PolarHBondContact OE2-NH2 3.46Å; G261-R273 PolarHBondContact O-NH1 3.49Å; R273-M281 PolarHBondContact N-O 2.88Å; R273-M281 PolarHBondContact O-N 3.43Å
274M96.3Very high94.3Very high41 Ų4153 Ų5320%0.20225%0.252CS..EExtended strand (participates in β ladder)trans-95.6119.6173.1-175.46472.700108.9L234 A237 V280L234-M274 HydrophobicContact CD1-CB 4.23Å; L234-M274 HydrophobicContact CD1-CE 4.45Å; A237-M274 HydrophobicContact CB-CE 3.69Å; M274-V280 HydrophobicContact CE-CG2 3.75Å; M274-V280 HydrophobicContact SD-CG2 4.24Å
275L97.1Very high93.5Very high3 Ų351.4 Ų51.42%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-98.9126.2173.8179.473.3000109.3P35 D39 L170 L173 N277 K278 H279 M281P35-L275 HydrophobicContact CB-CD2 4.14Å; D39-L275 HydrophobicContact CB-CD2 4.27Å; L170-L275 HydrophobicContact CD1-CD2 4.34Å; L170-L275 HydrophobicContact CD2-CD1 4.18Å; L170-L275 HydrophobicContact CD2-CD2 3.75Å; L170-L275 HydrophobicContact CD2-CG 4.46Å; L170-L275 HydrophobicContact CG-CD1 4.08Å; L170-L275 HydrophobicContact CG-CD2 3.84Å; L173-L275 HydrophobicContact CD1-CB 4.22Å; L173-L275 HydrophobicContact CD1-CD1 4.04Å; L275-N277 PolarHBondContact O-N 2.9Å; L275-K278 PolarHBondContact O-N 3.39Å; L275-H279 HydrophobicContact CB-CB 4.27Å; L275-H279 PolarHBondContact N-O 2.91Å; L275-H279 PolarHBondContact O-N 3.28Å; L275-M281 HydrophobicContact CB-CG 3.73Å; L275-M281 HydrophobicContact CD2-CG 4.19Å
276H93.9Very high92.7Very high74 Ų7455.2 Ų55.234%0.34331%0.31SS..THydrogen-bonded Turntrans48.932.1-179.5-55.8131000115.2D39 K278D39-H276 IonicContact OD1-CE1 3.5Å; D39-H276 PolarHBondContact OD1-CE1 3.38Å; D39-H276 IonicContact OD1-NE2 3.5Å; D39-H276 PolarHBondContact OD1-NE2 2.88Å; H276-K278 PolarHBondContact O-N 2.78Å
277N92.6Very high92.6Very high140 Ų14055.3 Ų55.375%0.74931%0.311SS*.THydrogen-bonded Turntrans54.620.3-177.1-57.3-35.2000114.4L275L275-N277 PolarHBondContact O-N 2.9Å
278K93.3Very high92.9Very high126 Ų12647.2 Ų47.255%0.54827%0.272SS..THydrogen-bonded Turntrans-129.8-46.9-173.1-177.2178.8175.7-174.20111.8E38 L275 H276E38-K278 IonicContact OE1-NZ 3.6Å; E38-K278 PolarHBondContact OE1-NZ 3.02Å; E38-K278 IonicContact OE2-NZ 3Å; L275-K278 PolarHBondContact O-N 3.39Å; H276-K278 PolarHBondContact O-N 2.78Å
279H95.6Very high93Very high23 Ų2343.5 Ų43.511%0.10626%0.256CS..EExtended strand (participates in β ladder)trans-105.7125.5-172.8-57.4-72.4000111.4P35 E38 L275 M281P35-H279 HydrophobicContact CB-CB 4Å; P35-H279 HydrophobicContact CG-CB 4.24Å; E38-H279 IonicContact OE1-NE2 2.8Å; E38-H279 IonicContact OE2-CD2 3.61Å; E38-H279 PolarHBondContact OE2-CD2 3.46Å; E38-H279 IonicContact OE2-CE1 2.77Å; E38-H279 IonicContact OE2-NE2 3.83Å; E38-H279 PolarHBondContact OE2-NE2 3.18Å; L275-H279 HydrophobicContact CB-CB 4.27Å; L275-H279 PolarHBondContact N-O 2.91Å; L275-H279 PolarHBondContact O-N 3.28Å; H279-M281 HydrophobicContact CB-CG 4.28Å; H279-M281 HydrophobicContact CB-SD 3.87Å; H279-M281 PolarHBondContact O-N 3.25Å
280V96.9Very high93.1Very high11 Ų1140.2 Ų40.27%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-86.2112170.8-175.50000108.3L234 A237 V238 I241 I272 M274 T290 F291L234-V280 HydrophobicContact CD1-CG1 4.12Å; A237-V280 HydrophobicContact CB-CG2 3.68Å; V238-V280 HydrophobicContact CG2-CG1 3.81Å; I241-V280 HydrophobicContact CD1-CB 3.71Å; I241-V280 HydrophobicContact CD1-CG1 4.33Å; I241-V280 HydrophobicContact CD1-CG2 3.59Å; I272-V280 HydrophobicContact CG2-CG1 3.37Å; M274-V280 HydrophobicContact CE-CG2 3.75Å; M274-V280 HydrophobicContact SD-CG2 4.24Å; V280-T290 CarbonylContact O-C 3.2Å; V280-T290 WeakPolarHBondContact O-CA 3.37Å; V280-F291 HydrophobicContact CB-CB 4.15Å; V280-F291 HydrophobicContact CG1-CB 3.66Å; V280-F291 HydrophobicContact CG1-CD1 4.35Å; V280-F291 HydrophobicContact CG1-CG 4.27Å; V280-F291 PolarHBondContact O-N 3.39Å
281M96.9Very high93.1Very high3 Ų339.4 Ų39.42%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-109.6139.1-173.4-57.7-57.1-66.600111.1P35 L170 I272 R273 L275 H279 W288 E289 T290P35-M281 HydrophobicContact CB-CE 4.13Å; P35-M281 HydrophobicContact CB-SD 3.78Å; P35-M281 HydrophobicContact CG-SD 4.07Å; L170-M281 HydrophobicContact CD2-CE 4.18Å; L170-M281 HydrophobicContact CD2-CG 4.25Å; I272-M281 CarbonylContact C-O 3.58Å; I272-M281 VanDerWaalsContact CA-O 3.25Å; I272-M281 WeakPolarHBondContact CA-O 3.41Å; I272-M281 WeakPolarHBondContact CG2-O 3.38Å; R273-M281 PolarHBondContact N-O 2.88Å; R273-M281 PolarHBondContact O-N 3.43Å; L275-M281 HydrophobicContact CB-CG 3.73Å; L275-M281 HydrophobicContact CD2-CG 4.19Å; H279-M281 HydrophobicContact CB-CG 4.28Å; H279-M281 HydrophobicContact CB-SD 3.87Å; H279-M281 PolarHBondContact O-N 3.25Å; M281-W288 HydrophobicContact CB-CE3 3.81Å; M281-W288 HydrophobicContact CB-CZ3 4.06Å; M281-W288 HydrophobicContact CE-CB 3.98Å; M281-E289 CarbonylContact C-O 3.5Å; M281-E289 WeakPolarHBondContact CA-O 3.41Å; M281-T290 HydrophobicContact CE-CG2 4.45Å; M281-T290 HydrophobicContact SD-CG2 3.92Å
282V96.1Very high92.9Very high0 Ų042.3 Ų42.30%025%0.251CS..EExtended strand (participates in β ladder)trans-110.6133.7176.6-173.70000108.9L270 F271 I272 V284 E289 F291 Y294L270-V282 HydrophobicContact CB-CG1 4.09Å; L270-V282 HydrophobicContact CD1-CG1 3.85Å; L270-V282 HydrophobicContact CD2-CG1 4.5Å; L270-V282 HydrophobicContact CG-CG1 4.38Å; F271-V282 WeakPolarHBondContact O-CA 3.37Å; I272-V282 HydrophobicContact CD1-CG2 4.42Å; I272-V282 HydrophobicContact CG1-CG2 4.23Å; V282-V284 HydrophobicContact CG1-CG1 3.96Å; V282-E289 PolarHBondContact N-O 3.28Å; V282-E289 PolarHBondContact O-N 3.29Å; V282-E289 VanDerWaalsContact O-N 3.11Å; V282-F291 VanDerWaalsContact CG2-CA 3.46Å; V282-F291 HydrophobicContact CG2-CB 3.65Å; V282-F291 HydrophobicContact CG2-CD2 3.57Å; V282-F291 HydrophobicContact CG2-CG 4.07Å; V282-Y294 HydrophobicContact CG1-CD2 4.3Å; V282-Y294 HydrophobicContact CG1-CG 4.5Å
283R94.9Very high92.6Very high49 Ų4943 Ų4319%0.18526%0.256CS..EExtended strand (participates in β ladder)trans-82.8119.5169.8-167.871.2-179.374.710.4109.6E174 I177 F271 G285 G287 W288E174-R283 IonicContact OE2-NE 3.74Å; E174-R283 IonicContact OE2-NH2 3.65Å; I177-R283 HydrophobicContact CD1-CB 4.01Å; I177-R283 HydrophobicContact CD1-CG 4.29Å; F271-R283 HydrophobicContact CB-CB 4.1Å; F271-R283 PolarHBondContact O-N 2.9Å; R283-G285 PolarHBondContact NH1-O 3Å; R283-G285 PolarHBondContact NH2-O 3.19Å; R283-G285 VanDerWaalsContact NH2-O 3.09Å; R283-G287 PolarHBondContact NH1-O 3.08Å; R283-W288 HydrophobicContact CB-CE3 4.42Å; R283-W288 HydrophobicContact CB-CH2 4.39Å; R283-W288 HydrophobicContact CB-CZ3 4.11Å
284V90.9Very high92.4Very high45 Ų4542.7 Ų42.727%0.27326%0.255SS..EExtended strand (participates in β ladder)trans-125.7103.7178.9-73.10000110.4V282 G286 G287 E289 Y294V282-V284 HydrophobicContact CG1-CG1 3.96Å; V284-G286 PolarHBondContact O-N 3.48Å; V284-G287 PolarHBondContact N-O 3.34Å; V284-G287 PolarHBondContact O-N 3.1Å; V284-E289 HydrophobicContact CG2-CB 4.17Å; V284-Y294 HydrophobicContact CG1-CD2 3.72Å; V284-Y294 HydrophobicContact CG1-CE2 3.73Å
285G78.1Confident92.1Very high78 Ų7840.8 Ų40.880%0.80425%0.245SC*.THydrogen-bonded Turntrans48.6-92.3175.800000114.1R283R283-G285 PolarHBondContact NH1-O 3Å; R283-G285 PolarHBondContact NH2-O 3.19Å; R283-G285 VanDerWaalsContact NH2-O 3.09Å
286G76.3Confident91.6Very high82 Ų8242 Ų4285%0.84525%0.252SS*.THydrogen-bonded Turntrans-98.1-0.7-178.500000117.7V284V284-G286 PolarHBondContact O-N 3.48Å
287G88.8Confident91.3Very high24 Ų2443.8 Ų43.825%0.24726%0.259CS..EExtended strand (participates in β ladder)trans-155.7-163.817900000116.3R283 V284R283-G287 PolarHBondContact NH1-O 3.08Å; V284-G287 PolarHBondContact N-O 3.34Å; V284-G287 PolarHBondContact O-N 3.1Å
288W94.4Very high91.1Very high32 Ų3240.8 Ų40.812%0.12124%0.24CC..EExtended strand (participates in β ladder)trans-116.3140.5178.7-69.5101.6000110.4L170 L173 E174 I177 M281 R283L170-W288 HydrophobicContact CD2-CB 4.16Å; L170-W288 HydrophobicContact CD2-CD2 3.84Å; L170-W288 HydrophobicContact CD2-CE3 4.33Å; L170-W288 HydrophobicContact CD2-CG 3.76Å; L170-W288 WeakPolarHBondContact O-CZ2 3.4Å; L170-W288 PolarHBondContact O-NE1 2.07Å; L173-W288 HydrophobicContact CB-CH2 3.65Å; L173-W288 HydrophobicContact CB-CZ2 3.76Å; E174-W288 HydrophobicContact CB-CZ2 4.07Å; I177-W288 HydrophobicContact CD1-CH2 3.47Å; I177-W288 VanDerWaalsContact CD1-CH2 3.47Å; I177-W288 HydrophobicContact CD1-CZ2 4.21Å; I177-W288 HydrophobicContact CD1-CZ3 4.22Å; M281-W288 HydrophobicContact CB-CE3 3.81Å; M281-W288 HydrophobicContact CB-CZ3 4.06Å; M281-W288 HydrophobicContact CE-CB 3.98Å; R283-W288 HydrophobicContact CB-CE3 4.42Å; R283-W288 HydrophobicContact CB-CH2 4.39Å; R283-W288 HydrophobicContact CB-CZ3 4.11Å
289E94.2Very high90.8Very high33 Ų3335.2 Ų35.215%0.15422%0.216CC..EExtended strand (participates in β ladder)trans-140.4152.6174.5176.4163.1-140.700109.4M281 V282 V284 S293 K297M281-E289 CarbonylContact C-O 3.5Å; M281-E289 WeakPolarHBondContact CA-O 3.41Å; V282-E289 PolarHBondContact N-O 3.28Å; V282-E289 PolarHBondContact O-N 3.29Å; V282-E289 VanDerWaalsContact O-N 3.11Å; V284-E289 HydrophobicContact CG2-CB 4.17Å; E289-S293 WeakPolarHBondContact OE1-CB 3.22Å; E289-K297 VanDerWaalsContact CD-NZ 3.29Å; E289-K297 WeakPolarHBondContact OE1-CE 3.26Å; E289-K297 IonicContact OE1-NZ 3.93Å; E289-K297 PolarHBondContact OE1-NZ 3.36Å; E289-K297 IonicContact OE2-NZ 3.82Å; E289-K297 PolarHBondContact OE2-NZ 3.2Å
290T95.1Very high90.2Very high21 Ų2137.5 Ų37.513%0.12923%0.233CC..EExtended strand (participates in β ladder)trans-68.8145.6172.764.20000110.8P35 V280 M281 E292 S293 Y294P35-T290 HydrophobicContact CG-CG2 3.53Å; V280-T290 CarbonylContact O-C 3.2Å; V280-T290 WeakPolarHBondContact O-CA 3.37Å; M281-T290 HydrophobicContact CE-CG2 4.45Å; M281-T290 HydrophobicContact SD-CG2 3.92Å; T290-E292 PolarHBondContact O-N 3.27Å; T290-S293 PolarHBondContact O-N 2.91Å; T290-S293 VanDerWaalsContact O-N 3.09Å; T290-S293 WeakPolarHBondContact OG1-CB 3.47Å; T290-S293 PolarHBondContact OG1-N 3.15Å; T290-S293 PolarHBondContact OG1-OG 3Å; T290-Y294 PolarHBondContact O-N 3.5Å
291F94.9Very high89.4Confident0 Ų038.3 Ų38.30%024%0.239CC..Hα-helixtrans-60.4-35.6179.1-177.6-126.9000112.5V238 I241 A242 V255 V265 I272 V280 V282 Y294 L295V238-F291 HydrophobicContact CB-CE1 4.44Å; V238-F291 HydrophobicContact CG1-CD1 4.41Å; V238-F291 HydrophobicContact CG1-CE1 3.76Å; V238-F291 HydrophobicContact CG1-CZ 4.12Å; I241-F291 HydrophobicContact CB-CD1 3.87Å; I241-F291 HydrophobicContact CB-CE1 4.21Å; I241-F291 HydrophobicContact CD1-CD1 4.28Å; I241-F291 HydrophobicContact CG2-CD1 3.53Å; I241-F291 HydrophobicContact CG2-CE1 4Å; I241-F291 HydrophobicContact CG2-CG 4.38Å; A242-F291 HydrophobicContact CB-CE1 4.28Å; V255-F291 HydrophobicContact CG1-CZ 3.83Å; V255-F291 HydrophobicContact CG2-CZ 4.15Å; V265-F291 HydrophobicContact CG1-CE2 4.27Å; V265-F291 HydrophobicContact CG2-CE2 4.06Å; I272-F291 HydrophobicContact CD1-CD2 3.78Å; I272-F291 HydrophobicContact CD1-CE2 3.78Å; I272-F291 HydrophobicContact CD1-CG 4.35Å; I272-F291 HydrophobicContact CD1-CZ 4.35Å; V280-F291 HydrophobicContact CB-CB 4.15Å; V280-F291 HydrophobicContact CG1-CB 3.66Å; V280-F291 HydrophobicContact CG1-CD1 4.35Å; V280-F291 HydrophobicContact CG1-CG 4.27Å; V280-F291 PolarHBondContact O-N 3.39Å; V282-F291 VanDerWaalsContact CG2-CA 3.46Å; V282-F291 HydrophobicContact CG2-CB 3.65Å; V282-F291 HydrophobicContact CG2-CD2 3.57Å; V282-F291 HydrophobicContact CG2-CG 4.07Å; F291-Y294 WeakPolarHBondContact O-CB 3.42Å; F291-Y294 PolarHBondContact O-N 3.11Å; F291-L295 HydrophobicContact CD1-CD1 4.37Å; F291-L295 HydrophobicContact CD2-CG 4.35Å; F291-L295 HydrophobicContact CE1-CD1 3.83Å; F291-L295 HydrophobicContact CE1-CG 4.31Å; F291-L295 HydrophobicContact CE2-CD1 4.36Å; F291-L295 HydrophobicContact CE2-CD2 3.85Å; F291-L295 HydrophobicContact CE2-CG 3.97Å; F291-L295 HydrophobicContact CZ-CD1 3.83Å; F291-L295 HydrophobicContact CZ-CD2 3.88Å; F291-L295 HydrophobicContact CZ-CG 3.95Å; F291-L295 WeakPolarHBondContact O-CG 3.44Å; F291-L295 PolarHBondContact O-N 3.02Å
292E91.5Very high88.6Confident91 Ų9138.9 Ų38.943%0.42524%0.241SC..Hα-helixtrans-59.6-48.6172.5-176.6176.1-150.200112.2I241 T290 Y294 L295 L296I241-E292 HydrophobicContact CG2-CB 4.14Å; T290-E292 PolarHBondContact O-N 3.27Å; E292-Y294 VanDerWaalsContact C-N 3.3Å; E292-Y294 PolarHBondContact O-N 2.89Å; E292-L295 PolarHBondContact O-N 2.95Å; E292-L296 WeakPolarHBondContact O-CG 3.25Å; E292-L296 PolarHBondContact O-N 3.4Å
293S89.8Confident87.2Confident14 Ų1443.5 Ų43.510%0.09826%0.264CS..Hα-helixtrans-64.1-36.8178.5-59.50000112.1E289 T290 L296 K297E289-S293 WeakPolarHBondContact OE1-CB 3.22Å; T290-S293 PolarHBondContact O-N 2.91Å; T290-S293 VanDerWaalsContact O-N 3.09Å; T290-S293 WeakPolarHBondContact OG1-CB 3.47Å; T290-S293 PolarHBondContact OG1-N 3.15Å; T290-S293 PolarHBondContact OG1-OG 3Å; S293-L296 PolarHBondContact O-N 3.4Å; S293-K297 WeakPolarHBondContact O-CG 2.99Å; S293-K297 PolarHBondContact O-N 3.09Å
294Y92Very high85.5Confident6 Ų645.4 Ų45.42%0.02428%0.277CS..Hα-helixtrans-60.8-48173.7-176.1-87.2000111.2V265 K268 L270 V282 V284 T290 F291 E292 L296 K297 H298V265-Y294 HydrophobicContact CB-CE1 4.43Å; V265-Y294 HydrophobicContact CG1-CD1 4.2Å; V265-Y294 HydrophobicContact CG1-CE1 3.68Å; K268-Y294 WeakPolarHBondContact CD-OH 3.33Å; L270-Y294 HydrophobicContact CD1-CD1 4.04Å; L270-Y294 HydrophobicContact CD1-CD2 4.46Å; L270-Y294 HydrophobicContact CD1-CE1 3.41Å; L270-Y294 VanDerWaalsContact CD1-CE1 3.41Å; L270-Y294 HydrophobicContact CD1-CE2 3.87Å; L270-Y294 WeakPolarHBondContact CD1-OH 3.26Å; V282-Y294 HydrophobicContact CG1-CD2 4.3Å; V282-Y294 HydrophobicContact CG1-CG 4.5Å; V284-Y294 HydrophobicContact CG1-CD2 3.72Å; V284-Y294 HydrophobicContact CG1-CE2 3.73Å; T290-Y294 PolarHBondContact O-N 3.5Å; F291-Y294 WeakPolarHBondContact O-CB 3.42Å; F291-Y294 PolarHBondContact O-N 3.11Å; E292-Y294 VanDerWaalsContact C-N 3.3Å; E292-Y294 PolarHBondContact O-N 2.89Å; Y294-L296 VanDerWaalsContact C-N 3.34Å; Y294-L296 PolarHBondContact O-N 2.95Å; Y294-K297 PolarHBondContact O-N 3.3Å; Y294-K297 VanDerWaalsContact O-N 3.17Å; Y294-H298 HydrophobicContact CD1-CB 4.46Å; Y294-H298 AromaticContact CD1-CD2 3.92Å; Y294-H298 AromaticContact CD2-CD2 3.55Å; Y294-H298 AromaticContact CD2-NE2 3.97Å; Y294-H298 HydrophobicContact CE1-CB 4.01Å; Y294-H298 AromaticContact CE1-CD2 3.64Å; Y294-H298 AromaticContact CE1-CG 4Å; Y294-H298 AromaticContact CE2-CD2 3.27Å; Y294-H298 WeakPolarHBondContact CE2-CD2 3.44Å; Y294-H298 AromaticContact CE2-NE2 3.51Å; Y294-H298 AromaticContact CG-CD2 3.86Å; Y294-H298 AromaticContact CZ-CD2 3.31Å; Y294-H298 AromaticContact CZ-CG 3.85Å; Y294-H298 AromaticContact CZ-NE2 3.85Å; Y294-H298 WeakPolarHBondContact O-CB 3.3Å; Y294-H298 PolarHBondContact O-CD2 3.38Å; Y294-H298 VanDerWaalsContact O-CD2 3.25Å; Y294-H298 PolarHBondContact O-N 3.33Å; Y294-H298 VanDerWaalsContact O-N 3.09Å
295L90.9Very high83.8Confident1 Ų148.3 Ų48.31%0.00529%0.288CS..Hα-helixtrans-63-38.7177.4-67.5-175.9000112I241 A242 F253 V255 V265 F291 E292 K297 H298 D299I241-L295 HydrophobicContact CG2-CD1 4.06Å; A242-L295 HydrophobicContact CB-CD1 4.46Å; F253-L295 HydrophobicContact CD1-CD2 3.93Å; F253-L295 HydrophobicContact CE1-CD2 3.68Å; V255-L295 HydrophobicContact CG2-CD2 4.35Å; V265-L295 HydrophobicContact CG1-CD2 4.09Å; F291-L295 HydrophobicContact CD1-CD1 4.37Å; F291-L295 HydrophobicContact CD2-CG 4.35Å; F291-L295 HydrophobicContact CE1-CD1 3.83Å; F291-L295 HydrophobicContact CE1-CG 4.31Å; F291-L295 HydrophobicContact CE2-CD1 4.36Å; F291-L295 HydrophobicContact CE2-CD2 3.85Å; F291-L295 HydrophobicContact CE2-CG 3.97Å; F291-L295 HydrophobicContact CZ-CD1 3.83Å; F291-L295 HydrophobicContact CZ-CD2 3.88Å; F291-L295 HydrophobicContact CZ-CG 3.95Å; F291-L295 WeakPolarHBondContact O-CG 3.44Å; F291-L295 PolarHBondContact O-N 3.02Å; E292-L295 PolarHBondContact O-N 2.95Å; L295-K297 PolarHBondContact O-N 3.37Å; L295-H298 PolarHBondContact O-N 2.96Å; L295-D299 WeakPolarHBondContact O-CB 3.42Å; L295-D299 PolarHBondContact O-N 2.96Å
296L86.4Confident82.5Confident28 Ų2848.1 Ų48.115%0.14727%0.268CS..Hα-helixtrans-58.2-31.3176.1-72.2173.4000113.1L10 E292 S293 Y294 R302L10-L296 HydrophobicContact CD2-CD2 4.12Å; E292-L296 WeakPolarHBondContact O-CG 3.25Å; E292-L296 PolarHBondContact O-N 3.4Å; S293-L296 PolarHBondContact O-N 3.4Å; Y294-L296 VanDerWaalsContact C-N 3.34Å; Y294-L296 PolarHBondContact O-N 2.95Å; L296-R302 HydrophobicContact CD2-CB 4.2Å
297K87.3Confident80.9Confident112 Ų11248.7 Ų48.749%0.48726%0.259SS..Hα-helixtrans-87.3-26.7179.6-67.7172.2178.2174.70113.9E289 S293 Y294 L295E289-K297 VanDerWaalsContact CD-NZ 3.29Å; E289-K297 WeakPolarHBondContact OE1-CE 3.26Å; E289-K297 IonicContact OE1-NZ 3.93Å; E289-K297 PolarHBondContact OE1-NZ 3.36Å; E289-K297 IonicContact OE2-NZ 3.82Å; E289-K297 PolarHBondContact OE2-NZ 3.2Å; S293-K297 WeakPolarHBondContact O-CG 2.99Å; S293-K297 PolarHBondContact O-N 3.09Å; Y294-K297 PolarHBondContact O-N 3.3Å; Y294-K297 VanDerWaalsContact O-N 3.17Å; L295-K297 PolarHBondContact O-N 3.37Å
298H87.9Confident78.7Confident77 Ų7756.3 Ų56.336%0.35628%0.28SS..Hα-helixtrans-118.6-22.8-166.8-69.3-64.7000114.8F253 Y294 L295 P300F253-H298 WeakPolarHBondContact CE2-O 3.38Å; F253-H298 HydrophobicContact CZ-CB 4.18Å; Y294-H298 HydrophobicContact CD1-CB 4.46Å; Y294-H298 AromaticContact CD1-CD2 3.92Å; Y294-H298 AromaticContact CD2-CD2 3.55Å; Y294-H298 AromaticContact CD2-NE2 3.97Å; Y294-H298 HydrophobicContact CE1-CB 4.01Å; Y294-H298 AromaticContact CE1-CD2 3.64Å; Y294-H298 AromaticContact CE1-CG 4Å; Y294-H298 AromaticContact CE2-CD2 3.27Å; Y294-H298 WeakPolarHBondContact CE2-CD2 3.44Å; Y294-H298 AromaticContact CE2-NE2 3.51Å; Y294-H298 AromaticContact CG-CD2 3.86Å; Y294-H298 AromaticContact CZ-CD2 3.31Å; Y294-H298 AromaticContact CZ-CG 3.85Å; Y294-H298 AromaticContact CZ-NE2 3.85Å; Y294-H298 WeakPolarHBondContact O-CB 3.3Å; Y294-H298 PolarHBondContact O-CD2 3.38Å; Y294-H298 VanDerWaalsContact O-CD2 3.25Å; Y294-H298 PolarHBondContact O-N 3.33Å; Y294-H298 VanDerWaalsContact O-N 3.09Å; L295-H298 PolarHBondContact O-N 2.96Å; H298-P300 VanDerWaalsContact O-CD 3.31Å; H298-P300 WeakPolarHBondContact O-CD 3.49Å
299D87.4Confident76.2Confident10 Ų1058.3 Ų58.35%0.05330%0.295CS..  trans-83.3112.7173.7-178.9-6.6000109.5F253 L295 C301 R302 M303F253-D299 HydrophobicContact CB-CB 4.14Å; F253-D299 WeakPolarHBondContact CB-OD1 3.44Å; F253-D299 HydrophobicContact CD1-CB 3.84Å; F253-D299 HydrophobicContact CE1-CB 4.35Å; F253-D299 HydrophobicContact CG-CB 3.93Å; L295-D299 WeakPolarHBondContact O-CB 3.42Å; L295-D299 PolarHBondContact O-N 2.96Å; D299-C301 PolarHBondContact O-N 3.46Å; D299-C301 VanDerWaalsContact O-N 3.1Å; D299-C301 WeakPolarHBondContact OD1-CB 3.32Å; D299-C301 PolarHBondContact OD1-N 3.4Å; D299-C301 PolarHBondContact OD1-SG 2.99Å; D299-R302 HydrophobicContact CB-CB 4.22Å; D299-R302 HydrophobicContact CB-CG 4.13Å; D299-R302 PolarHBondContact O-N 3.48Å; D299-R302 VanDerWaalsContact O-N 3.08Å; D299-R302 WeakPolarHBondContact OD2-CG 3.1Å; D299-R302 IonicContact OD2-NE 3.34Å; D299-R302 PolarHBondContact OD2-NE 3.33Å; D299-M303 PolarHBondContact O-N 3.47Å
300P83.6Confident73.6Confident70 Ų7065.2 Ų65.246%0.45533%0.328SS..Hα-helixtrans-55.9-31179.1-24.835.3000113H298 R302 L304H298-P300 VanDerWaalsContact O-CD 3.31Å; H298-P300 WeakPolarHBondContact O-CD 3.49Å; P300-R302 VanDerWaalsContact C-N 3.33Å; P300-R302 PolarHBondContact O-N 2.95Å; P300-L304 VanDerWaalsContact O-CG 3.25Å; P300-L304 WeakPolarHBondContact O-CG 3.45Å; P300-L304 PolarHBondContact O-N 3.34Å
301C79.8Confident70.8Confident29 Ų2966.9 Ų66.920%0.19635%0.349CS..Hα-helixtrans-68.7-35.4-177.7-47.90000111.5C247 C249 D299C247-C301 HydrophobicContact CB-CB 4.26Å; C249-C301 PolarHBondContact SG-SG 3.21Å; D299-C301 PolarHBondContact O-N 3.46Å; D299-C301 VanDerWaalsContact O-N 3.1Å; D299-C301 WeakPolarHBondContact OD1-CB 3.32Å; D299-C301 PolarHBondContact OD1-N 3.4Å; D299-C301 PolarHBondContact OD1-SG 2.99Å
302R79.3Confident68Low15 Ų1576.1 Ų76.16%0.05739%0.389CS..Hα-helixtrans-83.6-37.9178.9-65.3178.1-172.8-116.3-4.8111.8I241 A242 D244 L296 D299 P300 L304 Q305I241-R302 PolarHBondContact O-NH2 3.43Å; A242-R302 PolarHBondContact O-NH2 2.83Å; D244-R302 PolarHBondContact O-NH1 3.18Å; D244-R302 PolarHBondContact O-NH2 3.43Å; L296-R302 HydrophobicContact CD2-CB 4.2Å; D299-R302 HydrophobicContact CB-CB 4.22Å; D299-R302 HydrophobicContact CB-CG 4.13Å; D299-R302 PolarHBondContact O-N 3.48Å; D299-R302 VanDerWaalsContact O-N 3.08Å; D299-R302 WeakPolarHBondContact OD2-CG 3.1Å; D299-R302 IonicContact OD2-NE 3.34Å; D299-R302 PolarHBondContact OD2-NE 3.33Å; P300-R302 VanDerWaalsContact C-N 3.33Å; P300-R302 PolarHBondContact O-N 2.95Å; R302-L304 VanDerWaalsContact C-N 3.29Å; R302-L304 PolarHBondContact O-N 3.25Å; R302-Q305 WeakPolarHBondContact O-CB 3.37Å; R302-Q305 PolarHBondContact O-N 3.33Å; R302-Q305 VanDerWaalsContact O-N 3.09Å
303M67.7Low65.3Low96 Ų9679.1 Ų79.147%0.47341%0.407SS..Hα-helixtrans-60-39.8177.3-168.8176.361.900111.9D299 Q305 I306D299-M303 PolarHBondContact O-N 3.47Å; M303-Q305 VanDerWaalsContact C-N 3.25Å; M303-Q305 PolarHBondContact O-N 3.49Å; M303-I306 PolarHBondContact O-N 3.49Å
304L59.1Low62.6Low90 Ų9082.7 Ų82.747%0.47143%0.431SS..Hα-helixtrans-68-18.8177.3-70.7172000114.3P300 R302 I306 R308P300-L304 VanDerWaalsContact O-CG 3.25Å; P300-L304 WeakPolarHBondContact O-CG 3.45Å; P300-L304 PolarHBondContact O-N 3.34Å; R302-L304 VanDerWaalsContact C-N 3.29Å; R302-L304 PolarHBondContact O-N 3.25Å; L304-I306 VanDerWaalsContact C-N 3.32Å; L304-R308 PolarHBondContact O-N 3.13Å
305Q54.9Low59.8Low106 Ų10688.7 Ų88.750%0.49547%0.471SS..Hα-helixtrans-76-21.7174.9-66.4-157.3-29.200112.6R302 M303R302-Q305 WeakPolarHBondContact O-CB 3.37Å; R302-Q305 PolarHBondContact O-N 3.33Å; R302-Q305 VanDerWaalsContact O-N 3.09Å; M303-Q305 VanDerWaalsContact C-N 3.25Å; M303-Q305 PolarHBondContact O-N 3.49Å
306I51.9Low57.1Low74 Ų7496.1 Ų96.138%0.37951%0.509SS..Hα-helixtrans-78-33174.8-56.7169.9000110.4M303 L304M303-I306 PolarHBondContact O-N 3.49Å; L304-I306 VanDerWaalsContact C-N 3.32Å
307S42.6Very low54.5Low94 Ų9499.6 Ų99.666%0.65754%0.536SS*.Hα-helixtrans-80.2-22.4-179.2-49.40000114.2V309S307-V309 VanDerWaalsContact C-N 3.3Å; S307-V309 PolarHBondContact O-N 2.94Å; S307-V309 VanDerWaalsContact O-N 3.13Å
308R43Very low52.2Low184 Ų184100.5 Ų100.569%0.69455%0.551SS**  trans-86.472.8174.3-77.3-170.3175.4109.9-3.7110.2L304 E310L304-R308 PolarHBondContact O-N 3.13Å; R308-E310 PolarHBondContact O-N 3.03Å
309V40.5Very low49.5Very low74 Ų74106.4 Ų106.445%0.44858%0.576SS.*  trans-54.5128.4147.9175.90000105.9S307 G311S307-V309 VanDerWaalsContact C-N 3.3Å; S307-V309 PolarHBondContact O-N 2.94Å; S307-V309 VanDerWaalsContact O-N 3.13Å; V309-G311 PolarHBondContact O-N 3.03Å
310E41Very low47Very low177 Ų177111.5 Ų111.583%0.82761%0.612SS**  trans-60.782.1176.9-80.6-178.8121.200110.8R308 K312R308-E310 PolarHBondContact O-N 3.03Å; E310-K312 VanDerWaalsContact C-N 3.27Å; E310-K312 PolarHBondContact O-N 3.49Å; E310-K312 VanDerWaalsContact O-N 3.1Å
311G35.9Very low44.6Very low56 Ų56114.3 Ų114.358%0.57763%0.63SS**  trans-70.791.3150.900000107.1V309 I313V309-G311 PolarHBondContact O-N 3.03Å; G311-I313 PolarHBondContact O-N 3.46Å
312K35.8Very low42.3Very low195 Ų195119.9 Ų119.985%0.84866%0.658SS**  trans-61.181.7151.4-87.2-177177172.40107.1E310E310-K312 VanDerWaalsContact C-N 3.27Å; E310-K312 PolarHBondContact O-N 3.49Å; E310-K312 VanDerWaalsContact O-N 3.1Å
313I34.3Very low40.7Very low154 Ų154126.5 Ų126.579%0.7969%0.693SS**  trans-9593.1166.6-50171.1000105G311G311-I313 PolarHBondContact O-N 3.46Å
314S32.8Very low39.3Very low88 Ų88130.4 Ų130.462%0.61571%0.707SS**  trans-54.3145.2157.4-55.40000108.8I316S314-I316 PolarHBondContact O-N 2.91Å
315P33.7Very low38.2Very low132 Ų132134 Ų13486%0.85773%0.727SS**  trans-72.6104.4-176.829.7-30.8000108.9
316I34.1Very low37.3Very low158 Ų158137.1 Ų137.181%0.8175%0.746SS**  trans-105.9114.6167.8-71.4177.6000109.1S314S314-I316 PolarHBondContact O-N 2.91Å
317S31.9Very low36.6Very low100 Ų100138 Ų13870%0.69977%0.765SS**  trans-8.5130.6161.3-166.20000118.2K319S317-K319 PolarHBondContact O-N 3.36Å
318T39.4Very low36.5Very low131 Ų131139 Ų13980%0.80477%0.769SS**  trans-23.9109.5158.441.50000115.8
319K31.1Very low36.3Very low202 Ų202138.2 Ų138.288%0.87878%0.778SS**  trans-152.8125.8140.3-67.3-163.3-179.71740110.3S317S317-K319 PolarHBondContact O-N 3.36Å
320S34.5Very low35.9Very low116 Ų116140.3 Ų140.381%0.81180%0.796SS**PPolyproline II helixtrans-69.7133.6174.242.10000112
321P33.6Very low35.6Very low130 Ų130142.7 Ų142.784%0.84480%0.799SS**PPolyproline II helixtrans-87.9144.2171.85.213.6000112.2
322N31.5Very low35.9Very low146 Ų146147.4 Ų147.478%0.78181%0.81SS**PPolyproline II helixtrans-76.8135.7-175.7-168.3-41.1000111K324N322-K324 PolarHBondContact O-N 2.7Å
323I44.3Very low35.9Very low154 Ų154144.4 Ų144.479%0.7981%0.808SS**SBendtrans-70.2103.4170.5-73.6170.7000107.9
324K39.3Very low35.9Very low178 Ų178144 Ų14477%0.77481%0.812SS**  trans176.289.5154.4-94.1148.7-169.6-1640107.5N322N322-K324 PolarHBondContact O-N 2.7Å
325D35.3Very low35.9Very low165 Ų165142.9 Ų142.988%0.88281%0.809SS**  trans171.678.9148.7-84.8-21.9000107.9
326L37Very low36Very low172 Ų172141.2 Ų141.290%0.90181%0.806SS**  trans-115102.6168.4-80.8159.4000106.9
327A36.8Very low36.1Very low93 Ų93142.1 Ų142.177%0.76981%0.806SS**  trans-71.3134.116200000108.5D329A327-D329 PolarHBondContact O-N 3.1Å
328P40.3Very low36.2Very low115 Ų115147.3 Ų147.375%0.74781%0.812SS**SBendtrans-84.9107.2-175.832-27.7000108.9
329D38.8Very low36.1Very low167 Ų167152.8 Ų152.889%0.89382%0.818SS**  trans179.171.3149.6-89.5-19.6000110.8A327A327-D329 PolarHBondContact O-N 3.1Å
330S31.5Very low36.3Very low118 Ų118147.7 Ų147.783%0.82581%0.808SS**  trans-14294.8158.9-173.30000108.9L332S330-L332 PolarHBondContact O-N 2.91Å
331Y35.2Very low36.8Very low226 Ų226152.1 Ų152.189%0.88681%0.813SS**  trans-82.890.4-176.5-145.1-88.4000109.4
332L41.5Very low36.9Very low155 Ų155159.5 Ų159.581%0.81283%0.832SS**  trans-151.982.9156.9-76.5-174.1000110.2S330S330-L332 PolarHBondContact O-N 2.91Å
333V37.4Very low37.2Very low133 Ų133160.2 Ų160.281%0.80683%0.834SS**  trans-131.998.2156.6-176.40000108.1A335V333-A335 HydrophobicContact CG1-CB 4.46Å; V333-A335 PolarHBondContact O-N 2.78Å
334V33.3Very low36.8Very low144 Ų144160.5 Ų160.587%0.87384%0.837SS**  trans-76.694.6160.6178.90000106.4A336V334-A336 PolarHBondContact O-N 3.18Å
335A33.4Very low36.7Very low65 Ų65159.6 Ų159.654%0.53784%0.84SS.*  trans-76.3116.2168.700000109V333 H337V333-A335 HydrophobicContact CG1-CB 4.46Å; V333-A335 PolarHBondContact O-N 2.78Å; A335-H337 PolarHBondContact O-N 2.99Å
336A36.6Very low36.8Very low98 Ų98159.2 Ų159.281%0.8184%0.838SS**  trans-70.1114.7167.400000109.1V334V334-A336 PolarHBondContact O-N 3.18Å
337H35.8Very low36.7Very low176 Ų176158.4 Ų158.482%0.81583%0.834SS**  trans-88.5108.5169.5-77.6-3.1000110.1A335A335-H337 PolarHBondContact O-N 2.99Å
338Y33.7Very low36.7Very low210 Ų210162.8 Ų162.882%0.82484%0.838SS**  trans-83.6112.3167.6-162.2-95.1000108.7S340Y338-S340 WeakPolarHBondContact CE1-OG 3.47Å; Y338-S340 PolarHBondContact O-N 3.33Å
339R36.6Very low36.5Very low245 Ų245166.2 Ų166.293%0.92585%0.845SS**  trans-77.4108.8168.8-87.4-175.2172.5-170.8-1.9109
340S36.8Very low36.3Very low96 Ų96166.2 Ų166.267%0.67184%0.841SS**  trans-96.9125159.5-74.70000109.6Y338Y338-S340 WeakPolarHBondContact CE1-OG 3.47Å; Y338-S340 PolarHBondContact O-N 3.33Å
341K43.3Very low36.7Very low209 Ų209170.2 Ų170.291%0.90984%0.842SS**  trans-67.4135.1171.7-70.9179.9174.7178.80110.6
342K36.8Very low36.8Very low285 Ų285165.1 Ų165.1100%1.23984%0.838SS**  -157.60123.7-113.3177.7-178.4-1800110

Retrieved 342 of 342 residues in 109.6 ms (Link to these results)

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