A0A060WR88_ONCMY Loading...

Rho-related GTP-binding protein RhoE

Binds GTP but lacks intrinsic GTPase activity and is resistant to Rho-specific GTPase-activating proteins.

AlphaFold DB , UniProt , Accession A0A060WR88, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene RND3, Length 243 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
1M38.3Very low38.4Very low235 Ų235150.2 Ų150.2100%1.15884%0.839SS**  01210-94.7162.7146.100108
2K36.4Very low38.5Very low186 Ų186147.8 Ų147.881%0.80984%0.835SS**  trans69139.6163.3-55.7-174.9178.8-177.40117.3
3D36.8Very low39Very low140 Ų140152 Ų15275%0.74984%0.838SS**  cis-161.2137.9-13.9-103.5-33.6000106.1G5D3-G5 PolarHBondContact O-N 2.92Å
4T41.3Very low39.3Very low133 Ų133150 Ų15082%0.81684%0.84SS**  trans-74113.7173.944.10000110.2
5G35.4Very low39.4Very low76 Ų76144.7 Ų144.778%0.78483%0.832SS**  trans-96.388171.900000111.7D3 S7D3-G5 PolarHBondContact O-N 2.92Å; G5-S7 PolarHBondContact O-N 3.44Å
6S38.9Very low40.1Very low104 Ų104144.3 Ų144.373%0.72782%0.823SS**  trans-72.1107170.631.70000110.2Q8S6-Q8 PolarHBondContact O-N 2.91Å
7S41.4Very low40.7Very low121 Ų121142.4 Ų142.485%0.84681%0.81SS**  trans-66.3104.1169.3-73.10000109.5G5 K9G5-S7 PolarHBondContact O-N 3.44Å; S7-K9 PolarHBondContact O-N 2.85Å
8Q38.9Very low41.3Very low180 Ų180142 Ų14284%0.84181%0.814SS**  trans-65.9111.1170.8-74.1-175.5-10.400109.2S6 L10S6-Q8 PolarHBondContact O-N 2.91Å; Q8-L10 PolarHBondContact O-N 3.43Å; Q8-L10 VanDerWaalsContact O-N 3.09Å
9K37.5Very low41.9Very low205 Ų205142.6 Ų142.689%0.89181%0.814SS**  trans-66.4102.2169.2-167.2173.9-176.2-178.90108S7 S11S7-K9 PolarHBondContact O-N 2.85Å; K9-S11 PolarHBondContact O-N 2.78Å
10L37.4Very low42.7Very low167 Ų167142.8 Ų142.887%0.87481%0.807SS**PPolyproline II helixtrans-54.1120.1168.7-76.9152.2000108.4Q8Q8-L10 PolarHBondContact O-N 3.43Å; Q8-L10 VanDerWaalsContact O-N 3.09Å
11S39.8Very low44.1Very low105 Ų105139 Ų13973%0.73479%0.791SS**PPolyproline II helixtrans-66.6136.617246.40000109.3K9 K13K9-S11 PolarHBondContact O-N 2.78Å; S11-K13 PolarHBondContact O-N 3.09Å
12P40.1Very low46.5Very low121 Ų121128.7 Ų128.779%0.78674%0.741SS**PPolyproline II helixtrans-65.212917425.2-28.9000108.7S14P12-S14 PolarHBondContact O-N 3.17Å
13K44.3Very low49.2Very low203 Ų203125.6 Ų125.688%0.88373%0.727SS**PPolyproline II helixtrans-50.6133.9163.1-69.8-179.9176.4177.70107.4S11 G15S11-K13 PolarHBondContact O-N 3.09Å; K13-G15 PolarHBondContact O-N 3.06Å
14S43.9Very low52Low124 Ų124120.6 Ų120.687%0.86770%0.698SS**  trans-54.595.9-177.159.50000110.8P12 M16P12-S14 PolarHBondContact O-N 3.17Å; S14-M16 PolarHBondContact O-N 3.29Å
15G40.8Very low54.6Low70 Ų70115.7 Ų115.772%0.72267%0.665SS**PPolyproline II helixtrans-67.9122.9167.300000107.5K13 D17K13-G15 PolarHBondContact O-N 3.06Å; G15-D17 PolarHBondContact O-N 3.47Å
16M50.4Low57.6Low138 Ų138112.1 Ų112.168%0.6863%0.628SS**PPolyproline II helixtrans-68.4121.8170.9-152.8146.6124.700106.8S14 P18 V22 Q69S14-M16 PolarHBondContact O-N 3.29Å; M16-P18 WeakPolarHBondContact O-CD 3.49Å; M16-V22 HydrophobicContact CE-CG2 4.32Å; M16-Q69 VanDerWaalsContact CE-NE2 3.26Å
17D49.3Very low60.4Low113 Ų113107.1 Ų107.160%0.60459%0.593SS**PPolyproline II helixtrans-62.2120.7-176.7-150.9-15.3000108.9G15 N19 Q20G15-D17 PolarHBondContact O-N 3.47Å; D17-N19 PolarHBondContact O-N 3.13Å; D17-Q20 PolarHBondContact O-N 3.16Å
18P51.8Low63.2Low135 Ų135101.4 Ų101.488%0.87755%0.553SS**THydrogen-bonded Turntrans-64.4-3.7-173.322.6-32.6000114.3M16M16-P18 WeakPolarHBondContact O-CD 3.49Å
19N52.5Low66Low153 Ų15392.8 Ų92.882%0.81851%0.513SS*.THydrogen-bonded Turntrans-109.94.4-178.1-144.121000114.3D17 S21D17-N19 PolarHBondContact O-N 3.13Å; N19-S21 PolarHBondContact O-N 3.14Å
20Q59.1Low68.9Low146 Ų14683 Ų8368%0.68247%0.47SS*.  trans-93.797.8179.4-161.2168.844.800110.9D17 V22D17-Q20 PolarHBondContact O-N 3.16Å; Q20-V22 PolarHBondContact O-N 3.19Å; Q20-V22 VanDerWaalsContact O-N 3.16Å
21S71.4Confident71.8Confident65 Ų6576.3 Ų76.346%0.45544%0.435SS..PPolyproline II helixtrans-55.2118.317057.60000109.7N19 K23N19-S21 PolarHBondContact O-N 3.14Å; S21-K23 PolarHBondContact O-N 3.37Å
22V89.1Confident74.6Confident18 Ų1873.2 Ų73.211%0.10941%0.413CS..EExtended strand (participates in β ladder)trans-73116.2178.2177.20000107.8M16 Q20 R24 I71 E72M16-V22 HydrophobicContact CE-CG2 4.32Å; Q20-V22 PolarHBondContact O-N 3.19Å; Q20-V22 VanDerWaalsContact O-N 3.16Å; V22-R24 HydrophobicContact CG1-CG 4.32Å; V22-R24 VanDerWaalsContact CG1-NH1 3.32Å; V22-I71 HydrophobicContact CB-CG1 4.34Å; V22-I71 HydrophobicContact CG1-CG2 4.48Å; V22-I71 CarbonylContact O-C 3.58Å; V22-I71 VanDerWaalsContact O-CA 3.29Å; V22-I71 WeakPolarHBondContact O-CA 3.37Å; V22-I71 WeakPolarHBondContact O-CG2 3.39Å; V22-E72 PolarHBondContact O-N 2.99Å
23K93.1Very high77.4Confident121 Ų12173 Ų7353%0.52640%0.402SS..EExtended strand (participates in β ladder)trans-92.9137.1173-53.3-156.8179.7-147.60110.2S21 E72S21-K23 PolarHBondContact O-N 3.37Å; K23-E72 CarbonylContact C-O 3.47Å; K23-E72 VanDerWaalsContact CA-O 3.3Å; K23-E72 WeakPolarHBondContact CA-O 3.03Å; K23-E72 WeakPolarHBondContact CE-OE2 3.46Å; K23-E72 HydrophobicContact CG-CB 4.19Å; K23-E72 IonicContact NZ-OE1 2.98Å; K23-E72 PolarHBondContact NZ-OE1 3.29Å; K23-E72 IonicContact NZ-OE2 2.72Å; K23-E72 PolarHBondContact NZ-OE2 3.48Å
24R95.2Very high80Confident34 Ų3463.3 Ų63.313%0.12836%0.36CS..EExtended strand (participates in β ladder)trans-131.1135.3173-66.1-62.7-177-102.8-5.2111.3V22 I71 E72 L73 S74 D96 C196V22-R24 HydrophobicContact CG1-CG 4.32Å; V22-R24 VanDerWaalsContact CG1-NH1 3.32Å; R24-I71 HydrophobicContact CB-CG2 4.41Å; R24-I71 HydrophobicContact CG-CG2 4.05Å; R24-E72 PolarHBondContact N-O 3.49Å; R24-L73 HydrophobicContact CB-CD2 3.89Å; R24-L73 CarbonylContact O-C 3.57Å; R24-L73 WeakPolarHBondContact O-CA 3.44Å; R24-S74 PolarHBondContact O-N 3.31Å; R24-D96 WeakPolarHBondContact CA-OD2 3.36Å; R24-D96 HydrophobicContact CB-CB 4.48Å; R24-D96 WeakPolarHBondContact CD-OD1 3.49Å; R24-D96 VanDerWaalsContact CD-OD2 3.29Å; R24-D96 WeakPolarHBondContact CD-OD2 3.05Å; R24-D96 IonicContact NE-OD1 2.82Å; R24-C196 HydrophobicContact CB-CB 4.26Å; R24-C196 HydrophobicContact CG-CB 3.83Å; R24-C196 PolarHBondContact NE-O 2.82Å
25K96.6Very high82.5Confident31 Ų3158 Ų5814%0.13533%0.325CS..EExtended strand (participates in β ladder)trans-99.2124.2176.6178.9172.9172.6177.70110.1S74 S91 P93 D96 A97K25-S74 WeakPolarHBondContact CA-O 3.49Å; K25-S91 WeakPolarHBondContact CE-O 3.42Å; K25-S91 PolarHBondContact NZ-O 3.16Å; K25-P93 PolarHBondContact NZ-O 3.21Å; K25-D96 PolarHBondContact N-OD2 3.38Å; K25-D96 WeakPolarHBondContact O-CB 3.48Å; K25-D96 PolarHBondContact O-N 2.86Å; K25-A97 PolarHBondContact O-N 3.25Å
26I97.8Very high85.3Confident0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-121125176.1-58178.8000108.4L73 S74 L75 W76 A97 L99 F189 A192I26-L73 HydrophobicContact CD1-CD1 4.44Å; I26-L73 HydrophobicContact CD1-CD2 4.1Å; I26-S74 PolarHBondContact N-O 2.8Å; I26-L75 HydrophobicContact CB-CD2 3.94Å; I26-L75 HydrophobicContact CD1-CD2 4.19Å; I26-L75 HydrophobicContact CG1-CD2 4.42Å; I26-L75 CarbonylContact O-C 3.27Å; I26-L75 WeakPolarHBondContact O-CA 3.46Å; I26-W76 PolarHBondContact O-N 2.79Å; I26-A97 WeakPolarHBondContact CA-O 3.25Å; I26-L99 HydrophobicContact CG2-CD1 3.94Å; I26-L99 HydrophobicContact CG2-CD2 4.26Å; I26-L99 HydrophobicContact CG2-CG 3.66Å; I26-F189 HydrophobicContact CD1-CD1 4.34Å; I26-A192 HydrophobicContact CD1-CB 4.12Å
27V98.4Very high87.6Confident0 Ų050.2 Ų50.20%027%0.27CS..EExtended strand (participates in β ladder)trans-105137.8174.6-178.30000109.7V29 W76 T78 S91 Y92 S95 A97 V98 L99V27-V29 HydrophobicContact CG1-CG1 4.09Å; V27-W76 HydrophobicContact CB-CB 4.35Å; V27-W76 HydrophobicContact CG1-CB 4.31Å; V27-W76 HydrophobicContact CG2-CB 3.97Å; V27-W76 HydrophobicContact CG2-CG 4.23Å; V27-T78 HydrophobicContact CG1-CG2 3.89Å; V27-S91 WeakPolarHBondContact CG2-O 3.39Å; V27-Y92 HydrophobicContact CG1-CD1 3.98Å; V27-Y92 HydrophobicContact CG1-CE1 3.88Å; V27-S95 WeakPolarHBondContact CG2-OG 3.03Å; V27-A97 PolarHBondContact N-O 3.25Å; V27-A97 VanDerWaalsContact N-O 3.08Å; V27-V98 HydrophobicContact CB-CG2 4.43Å; V27-V98 CarbonylContact O-C 3.46Å; V27-V98 VanDerWaalsContact O-CA 3.3Å; V27-V98 WeakPolarHBondContact O-CA 3.42Å; V27-L99 PolarHBondContact O-N 3.34Å
28V98.7Very high89.9Confident0 Ų045.5 Ų45.50%025%0.247CC..EExtended strand (participates in β ladder)trans-114122.3-179.9-169.40000109.7K36 L40 W76 T78 L99 C101V28-K36 HydrophobicContact CG1-CB 3.79Å; V28-K36 HydrophobicContact CG1-CD 4.07Å; V28-K36 HydrophobicContact CG1-CG 3.81Å; V28-L40 HydrophobicContact CB-CD1 4.08Å; V28-L40 HydrophobicContact CG2-CD1 3.79Å; V28-L40 HydrophobicContact CG2-CD2 3.84Å; V28-L40 HydrophobicContact CG2-CG 4.01Å; V28-W76 PolarHBondContact N-O 3.27Å; V28-T78 PolarHBondContact O-OG1 3.02Å; V28-L99 HydrophobicContact CG1-CB 4.24Å; V28-L99 HydrophobicContact CG2-CB 4.25Å; V28-L99 HydrophobicContact CG2-CD1 3.98Å; V28-L99 HydrophobicContact CG2-CG 4.33Å; V28-C101 VanDerWaalsContact CG1-SG 3.57Å
29V98.8Very high92.1Very high0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-129.1167.1-179.2-55.60000110.7V27 K36 Y92 V98 L99 I100 C101 W117 I121V27-V29 HydrophobicContact CG1-CG1 4.09Å; V29-K36 VanDerWaalsContact C-CD 3.43Å; V29-Y92 HydrophobicContact CG1-CE1 3.73Å; V29-Y92 WeakPolarHBondContact CG1-OH 3.46Å; V29-V98 HydrophobicContact CG1-CG1 4.43Å; V29-V98 HydrophobicContact CG2-CG1 3.88Å; V29-L99 PolarHBondContact N-O 3.12Å; V29-I100 HydrophobicContact CG2-CB 4.35Å; V29-I100 HydrophobicContact CG2-CG1 3.85Å; V29-C101 PolarHBondContact O-N 3.04Å; V29-W117 HydrophobicContact CB-CE3 3.87Å; V29-W117 HydrophobicContact CB-CZ3 4.02Å; V29-W117 HydrophobicContact CG2-CE3 4.03Å; V29-I121 HydrophobicContact CG1-CD1 4.3Å; V29-I121 HydrophobicContact CG2-CD1 4.17Å; V29-I121 HydrophobicContact CG2-CG1 4.32Å
30G98.8Very high94.2Very high0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans140.3167.1-174.900000112K36 G80 C101 W117G30-K36 PolarHBondContact O-NZ 2.99Å; G30-G80 WeakPolarHBondContact O-CA 3.47Å; G30-C101 VanDerWaalsContact CA-O 3.26Å; G30-C101 WeakPolarHBondContact CA-O 3.45Å; G30-W117 VanDerWaalsContact C-CE2 3.43Å; G30-W117 VanDerWaalsContact CA-CE2 3.43Å; G30-W117 VanDerWaalsContact O-CZ2 3.28Å; G30-W117 WeakPolarHBondContact O-CZ2 3.41Å
31D98.8Very high96Very high26 Ų2626.5 Ų26.514%0.13914%0.142CC..SBendtrans-56.1155.6-175.1-76.613.7000112.9Q33 C34 K36 T109 S112 W117D31-Q33 PolarHBondContact O-N 2.83Å; D31-C34 WeakPolarHBondContact O-CB 3.45Å; D31-C34 PolarHBondContact O-N 2.88Å; D31-C34 PolarHBondContact O-SG 3.41Å; D31-K36 PolarHBondContact O-NZ 3.3Å; D31-T109 HydrophobicContact CB-CG2 3.83Å; D31-T109 WeakPolarHBondContact OD2-CA 3.34Å; D31-S112 WeakPolarHBondContact OD1-CB 3.25Å; D31-S112 PolarHBondContact OD1-OG 3.22Å; D31-S112 WeakPolarHBondContact OD2-CB 3.29Å; D31-S112 PolarHBondContact OD2-OG 2.99Å; D31-W117 PolarHBondContact OD1-NE1 3.29Å
32S98.3Very high97.2Very high39 Ų3923.7 Ų23.727%0.27312%0.122SC..THydrogen-bonded Turntrans-53.3140.6172.1-67.50000110.2C34 G80 S81 R106S32-C34 PolarHBondContact O-N 3.35Å; S32-C34 VanDerWaalsContact O-N 3.09Å; S32-G80 VanDerWaalsContact OG-C 3.23Å; S32-S81 PolarHBondContact OG-N 3.48Å; S32-R106 PolarHBondContact O-NH2 2.89Å
33Q98Very high97.5Very high116 Ų11624 Ų2454%0.54212%0.122SC..THydrogen-bonded Turntrans61.213.6178.1-56.7177.975.500115.7D31 G35 Y52 K136D31-Q33 PolarHBondContact O-N 2.83Å; Q33-G35 PolarHBondContact O-N 2.82Å; Q33-Y52 HydrophobicContact CG-CE1 3.88Å; Q33-Y52 HydrophobicContact CG-CE2 3.78Å; Q33-Y52 VanDerWaalsContact CG-OH 3.32Å; Q33-Y52 WeakPolarHBondContact CG-OH 3.36Å; Q33-K136 WeakPolarHBondContact O-CE 3.49Å; Q33-K136 PolarHBondContact O-NZ 3.38Å
34C98.4Very high97.6Very high0 Ų019.6 Ų19.60%011%0.108CC..SBendtrans-74.6-9.9178.373.60000114.6D31 S32 K36 C101 D103 C135D31-C34 WeakPolarHBondContact O-CB 3.45Å; D31-C34 PolarHBondContact O-N 2.88Å; D31-C34 PolarHBondContact O-SG 3.41Å; S32-C34 PolarHBondContact O-N 3.35Å; S32-C34 VanDerWaalsContact O-N 3.09Å; C34-K36 VanDerWaalsContact SG-CG 3.59Å; C34-C101 PolarHBondContact SG-O 3.41Å; C34-D103 HydrophobicContact CB-CB 3.97Å; C34-C135 WeakPolarHBondContact O-CB 3.3Å
35G98.2Very high97.5Very high13 Ų1323.5 Ų23.513%0.13413%0.126CC..SBendtrans113.26.8175.100000116Q33 T37 A38 L39Q33-G35 PolarHBondContact O-N 2.82Å; G35-T37 PolarHBondContact O-N 3.48Å; G35-A38 PolarHBondContact O-N 2.82Å; G35-L39 WeakPolarHBondContact O-CB 3.23Å; G35-L39 PolarHBondContact O-N 2.87Å
36K98.5Very high97.2Very high10 Ų1027.9 Ų27.94%0.04315%0.151CC..Hα-helixtrans-51.1-53.6179.3-55.7-175-63.4-72.50113.4V28 V29 G30 D31 C34 L39 L40 T78 C101V28-K36 HydrophobicContact CG1-CB 3.79Å; V28-K36 HydrophobicContact CG1-CD 4.07Å; V28-K36 HydrophobicContact CG1-CG 3.81Å; V29-K36 VanDerWaalsContact C-CD 3.43Å; G30-K36 PolarHBondContact O-NZ 2.99Å; D31-K36 PolarHBondContact O-NZ 3.3Å; C34-K36 VanDerWaalsContact SG-CG 3.59Å; K36-L39 WeakPolarHBondContact O-CB 3.38Å; K36-L39 PolarHBondContact O-N 3.13Å; K36-L40 WeakPolarHBondContact O-CG 3.42Å; K36-L40 PolarHBondContact O-N 3.03Å; K36-T78 WeakPolarHBondContact CE-O 3.38Å; K36-C101 HydrophobicContact CG-CB 3.99Å
37T98Very high97Very high34 Ų3430.9 Ų30.921%0.20917%0.171CC..Hα-helixtrans-65.4-42.3-178.1-47.10000111.4G35 L39 L40 H41 T55 D77G35-T37 PolarHBondContact O-N 3.48Å; T37-L39 PolarHBondContact O-N 2.88Å; T37-L40 PolarHBondContact O-N 3Å; T37-H41 WeakPolarHBondContact O-CB 3.35Å; T37-H41 PolarHBondContact O-N 2.85Å; T37-T55 PolarHBondContact OG1-OG1 2.78Å; T37-D77 WeakPolarHBondContact CA-OD2 3.35Å; T37-D77 VanDerWaalsContact CB-OD2 3.29Å; T37-D77 WeakPolarHBondContact CB-OD2 3.3Å; T37-D77 WeakPolarHBondContact CG2-OD2 3.38Å; T37-D77 PolarHBondContact OG1-OD2 2.64Å
38A97.9Very high96.7Very high15 Ų1534.9 Ų34.912%0.12419%0.188CC..Hα-helixtrans-62.6-43176.400000111.9G35 H41 V42 F48 P49G35-A38 PolarHBondContact O-N 2.82Å; A38-H41 PolarHBondContact O-N 2.81Å; A38-V42 WeakPolarHBondContact O-CB 3.47Å; A38-V42 VanDerWaalsContact O-CG2 3.25Å; A38-V42 WeakPolarHBondContact O-CG2 3.35Å; A38-V42 PolarHBondContact O-N 2.68Å; A38-F48 HydrophobicContact CB-CD2 4.32Å; A38-F48 HydrophobicContact CB-CE2 3.74Å; A38-F48 HydrophobicContact CB-CZ 4.17Å; A38-P49 HydrophobicContact CB-CG 4.02Å
39L98.2Very high96.3Very high0 Ų036.4 Ų36.40%020%0.198CC..Hα-helixtrans-56.6-50.2173.4173.265.7000111.9G35 K36 T37 F43 V133 S178 V185 L188 F189G35-L39 WeakPolarHBondContact O-CB 3.23Å; G35-L39 PolarHBondContact O-N 2.87Å; K36-L39 WeakPolarHBondContact O-CB 3.38Å; K36-L39 PolarHBondContact O-N 3.13Å; T37-L39 PolarHBondContact O-N 2.88Å; L39-F43 WeakPolarHBondContact O-CB 3.39Å; L39-F43 PolarHBondContact O-N 3.45Å; L39-F43 VanDerWaalsContact O-N 3.13Å; L39-V133 HydrophobicContact CD2-CG1 4.34Å; L39-S178 WeakPolarHBondContact CA-OG 3.29Å; L39-S178 PolarHBondContact N-OG 3.47Å; L39-V185 HydrophobicContact CD1-CB 4.19Å; L39-V185 HydrophobicContact CD1-CG1 3.7Å; L39-V185 HydrophobicContact CD1-CG2 3.86Å; L39-L188 HydrophobicContact CD1-CD1 3.99Å; L39-L188 HydrophobicContact CD1-CD2 4.44Å; L39-L188 HydrophobicContact CD2-CD1 4.07Å; L39-L188 HydrophobicContact CD2-CD2 4.35Å; L39-F189 HydrophobicContact CD1-CE2 3.91Å; L39-F189 HydrophobicContact CG-CE2 3.95Å; L39-F189 HydrophobicContact CG-CZ 4.26Å
40L97.6Very high95.8Very high0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-68.3-40.1-178.9-74.3173.1000112.9V28 K36 T37 F43 A44 Y60 L75 D77 F189V28-L40 HydrophobicContact CB-CD1 4.08Å; V28-L40 HydrophobicContact CG2-CD1 3.79Å; V28-L40 HydrophobicContact CG2-CD2 3.84Å; V28-L40 HydrophobicContact CG2-CG 4.01Å; K36-L40 WeakPolarHBondContact O-CG 3.42Å; K36-L40 PolarHBondContact O-N 3.03Å; T37-L40 PolarHBondContact O-N 3Å; L40-F43 PolarHBondContact O-N 3.11Å; L40-A44 VanDerWaalsContact O-CB 3.23Å; L40-A44 WeakPolarHBondContact O-CB 3.25Å; L40-A44 PolarHBondContact O-N 3.3Å; L40-Y60 HydrophobicContact CB-CD2 4.27Å; L40-Y60 HydrophobicContact CB-CE2 4.33Å; L40-Y60 HydrophobicContact CD1-CD2 4.41Å; L40-Y60 HydrophobicContact CD1-CE2 4.5Å; L40-L75 HydrophobicContact CD2-CB 3.64Å; L40-L75 HydrophobicContact CD2-CD1 3.75Å; L40-L75 HydrophobicContact CD2-CD2 4.48Å; L40-L75 HydrophobicContact CD2-CG 4.17Å; L40-D77 HydrophobicContact CD1-CB 3.39Å; L40-F189 HydrophobicContact CD2-CE1 4.34Å; L40-F189 HydrophobicContact CD2-CZ 3.8Å
41H95.9Very high95.4Very high35 Ų3551.2 Ų51.216%0.16227%0.271CS..Hα-helixtrans-69.6-42.6-177.8-157-98.5000111.5T37 A38 F43 A44 K45 C47T37-H41 WeakPolarHBondContact O-CB 3.35Å; T37-H41 PolarHBondContact O-N 2.85Å; A38-H41 PolarHBondContact O-N 2.81Å; H41-F43 VanDerWaalsContact C-N 3.35Å; H41-A44 PolarHBondContact O-N 3.19Å; H41-K45 WeakPolarHBondContact NE2-CD 3.41Å; H41-K45 PolarHBondContact NE2-NZ 3.39Å; H41-K45 WeakPolarHBondContact O-CA 3.4Å; H41-K45 WeakPolarHBondContact O-CB 3.37Å; H41-K45 PolarHBondContact O-N 3.12Å; H41-C47 CarbonylContact C-O 3.55Å; H41-C47 PolarHBondContact ND1-O 3.28Å
42V96.8Very high95Very high5 Ų556 Ų563%0.0329%0.289CS..Hα-helixtrans-61.8-44.9173.6169.90000110.5A38 D46 C47 F48 E182 V185A38-V42 WeakPolarHBondContact O-CB 3.47Å; A38-V42 VanDerWaalsContact O-CG2 3.25Å; A38-V42 WeakPolarHBondContact O-CG2 3.35Å; A38-V42 PolarHBondContact O-N 2.68Å; V42-D46 VanDerWaalsContact O-CA 3.25Å; V42-D46 WeakPolarHBondContact O-CA 3.2Å; V42-D46 PolarHBondContact O-N 3.1Å; V42-C47 PolarHBondContact N-O 3.47Å; V42-F48 HydrophobicContact CG2-CB 4.1Å; V42-F48 HydrophobicContact CG2-CD2 3.98Å; V42-E182 HydrophobicContact CG1-CG 4.05Å; V42-V185 HydrophobicContact CG1-CB 4.32Å; V42-V185 HydrophobicContact CG1-CG1 4.27Å; V42-V185 HydrophobicContact CG1-CG2 4.12Å
43F96.3Very high94.7Very high25 Ų2559.3 Ų59.311%0.1131%0.307CS..Hα-helixtrans-66.9-40.6179.5-180-113.1000114.1L39 L40 H41 A62 F64 L73 L75 V185 F189L39-F43 WeakPolarHBondContact O-CB 3.39Å; L39-F43 PolarHBondContact O-N 3.45Å; L39-F43 VanDerWaalsContact O-N 3.13Å; L40-F43 PolarHBondContact O-N 3.11Å; H41-F43 VanDerWaalsContact C-N 3.35Å; F43-A62 HydrophobicContact CD1-CB 4.04Å; F43-A62 HydrophobicContact CE1-CB 3.51Å; F43-A62 HydrophobicContact CZ-CB 4.24Å; F43-F64 AromaticContact CE2-CD2 3.71Å; F43-F64 HydrophobicContact CE2-CD2 3.71Å; F43-F64 AromaticContact CE2-CE2 3.91Å; F43-F64 HydrophobicContact CE2-CE2 3.91Å; F43-F64 AromaticContact CZ-CD2 3.68Å; F43-F64 HydrophobicContact CZ-CD2 3.68Å; F43-F64 HydrophobicContact CZ-CE2 4.31Å; F43-F64 HydrophobicContact CZ-CG 4.41Å; F43-L73 HydrophobicContact CE1-CD1 3.74Å; F43-L73 HydrophobicContact CZ-CD1 3.75Å; F43-L75 HydrophobicContact CD1-CD1 3.54Å; F43-L75 HydrophobicContact CE1-CD1 3.82Å; F43-V185 HydrophobicContact CB-CG1 3.64Å; F43-V185 HydrophobicContact CD2-CG1 4.35Å; F43-V185 HydrophobicContact CG-CG1 4.41Å; F43-F189 HydrophobicContact CB-CD2 3.64Å; F43-F189 HydrophobicContact CB-CE2 3.45Å; F43-F189 VanDerWaalsContact CB-CE2 3.45Å; F43-F189 HydrophobicContact CB-CZ 4.27Å; F43-F189 HydrophobicContact CD1-CB 4.47Å; F43-F189 AromaticContact CD1-CD1 3.91Å; F43-F189 HydrophobicContact CD1-CD1 3.91Å; F43-F189 AromaticContact CD1-CD2 3.62Å; F43-F189 HydrophobicContact CD1-CD2 3.62Å; F43-F189 HydrophobicContact CD1-CE1 4.04Å; F43-F189 AromaticContact CD1-CE2 3.75Å; F43-F189 HydrophobicContact CD1-CE2 3.75Å; F43-F189 AromaticContact CD1-CG 3.72Å; F43-F189 HydrophobicContact CD1-CG 3.72Å; F43-F189 AromaticContact CD1-CZ 3.98Å; F43-F189 HydrophobicContact CD1-CZ 3.98Å; F43-F189 HydrophobicContact CD2-CB 3.84Å; F43-F189 AromaticContact CD2-CD2 3.32Å; F43-F189 HydrophobicContact CD2-CD2 3.32Å; F43-F189 HydrophobicContact CD2-CE2 4.06Å; F43-F189 AromaticContact CD2-CG 3.68Å; F43-F189 HydrophobicContact CD2-CG 3.68Å; F43-F189 HydrophobicContact CE1-CB 4.07Å; F43-F189 AromaticContact CE1-CD1 3.75Å; F43-F189 HydrophobicContact CE1-CD1 3.75Å; F43-F189 HydrophobicContact CE1-CD2 4.06Å; F43-F189 HydrophobicContact CE1-CE1 4.24Å; F43-F189 AromaticContact CE1-CG 3.67Å; F43-F189 HydrophobicContact CE1-CG 3.67Å; F43-F189 HydrophobicContact CE2-CB 3.37Å; F43-F189 AromaticContact CE2-CD2 3.81Å; F43-F189 HydrophobicContact CE2-CD2 3.81Å; F43-F189 AromaticContact CE2-CG 3.65Å; F43-F189 HydrophobicContact CE2-CG 3.65Å; F43-F189 HydrophobicContact CG-CB 4.36Å; F43-F189 HydrophobicContact CG-CD1 4.35Å; F43-F189 AromaticContact CG-CD2 3.21Å; F43-F189 HydrophobicContact CG-CD2 3.21Å; F43-F189 AromaticContact CG-CE2 3.47Å; F43-F189 HydrophobicContact CG-CE2 3.47Å; F43-F189 VanDerWaalsContact CG-CE2 3.47Å; F43-F189 AromaticContact CG-CG 3.72Å; F43-F189 HydrophobicContact CG-CG 3.72Å; F43-F189 HydrophobicContact CG-CZ 4.18Å; F43-F189 HydrophobicContact CZ-CB 3.51Å; F43-F189 HydrophobicContact CZ-CD1 4.08Å; F43-F189 HydrophobicContact CZ-CD2 4.15Å; F43-F189 AromaticContact CZ-CG 3.64Å; F43-F189 HydrophobicContact CZ-CG 3.64Å
44A94.8Very high94.4Very high28 Ų2857.8 Ų57.823%0.23131%0.307CS..Hα-helixtrans-90.2-22.1-172.500000113.8L40 H41 Y60L40-A44 VanDerWaalsContact O-CB 3.23Å; L40-A44 WeakPolarHBondContact O-CB 3.25Å; L40-A44 PolarHBondContact O-N 3.3Å; H41-A44 PolarHBondContact O-N 3.19Å; A44-Y60 HydrophobicContact CB-CD1 4.23Å; A44-Y60 HydrophobicContact CB-CG 4.39Å
45K92.8Very high94.2Very high116 Ų11658.7 Ų58.750%0.50431%0.313SS..Hα-helixtrans-131.53.8-172.9-55.8-169.7-168165.60114.3H41 C47H41-K45 WeakPolarHBondContact NE2-CD 3.41Å; H41-K45 PolarHBondContact NE2-NZ 3.39Å; H41-K45 WeakPolarHBondContact O-CA 3.4Å; H41-K45 WeakPolarHBondContact O-CB 3.37Å; H41-K45 PolarHBondContact O-N 3.12Å; K45-C47 PolarHBondContact O-N 2.91Å; K45-C47 VanDerWaalsContact O-N 3.13Å
46D91.3Very high93.8Very high124 Ų12461.4 Ų61.466%0.66333%0.326SS*.SBendtrans50.838.4-178.3-57.3-42.6000112.3V42V42-D46 VanDerWaalsContact O-CA 3.25Å; V42-D46 WeakPolarHBondContact O-CA 3.2Å; V42-D46 PolarHBondContact O-N 3.1Å
47C91.9Very high93.4Very high62 Ų6264 Ų6442%0.41934%0.337SS..  trans-151.2129.9-175178.20000112H41 V42 K45H41-C47 CarbonylContact C-O 3.55Å; H41-C47 PolarHBondContact ND1-O 3.28Å; V42-C47 PolarHBondContact N-O 3.47Å; K45-C47 PolarHBondContact O-N 2.91Å; K45-C47 VanDerWaalsContact O-N 3.13Å
48F92.3Very high93.3Very high85 Ų8567.2 Ų67.237%0.37335%0.35SS..  trans-79.1135.1174.1-169.3-88.5000110.9A38 V42 E50 S178 L179A38-F48 HydrophobicContact CB-CD2 4.32Å; A38-F48 HydrophobicContact CB-CE2 3.74Å; A38-F48 HydrophobicContact CB-CZ 4.17Å; V42-F48 HydrophobicContact CG2-CB 4.1Å; V42-F48 HydrophobicContact CG2-CD2 3.98Å; F48-E50 PolarHBondContact O-N 3.34Å; F48-S178 WeakPolarHBondContact CD2-O 3.35Å; F48-L179 HydrophobicContact CD1-CD1 4.27Å; F48-L179 HydrophobicContact CD2-CB 4.41Å; F48-L179 HydrophobicContact CD2-CD1 4.32Å; F48-L179 HydrophobicContact CE1-CD1 4.18Å; F48-L179 HydrophobicContact CE2-CB 3.97Å; F48-L179 HydrophobicContact CE2-CD1 4.21Å; F48-L179 HydrophobicContact CG-CD1 4.34Å; F48-L179 HydrophobicContact CZ-CB 4.42Å; F48-L179 HydrophobicContact CZ-CD1 4.15Å
49P90.4Very high93.1Very high32 Ų3269.9 Ų69.921%0.20836%0.363CS..  trans-69.7123.218027.8-33.6000111.7A38 N51A38-P49 HydrophobicContact CB-CG 4.02Å; P49-N51 PolarHBondContact O-N 2.88Å
50E88.6Confident92.9Very high183 Ų18371.2 Ų71.286%0.85537%0.368SS*.SBendtrans-69.8-31.2179.8-64.1-176.917100113.4F48F48-E50 PolarHBondContact O-N 3.34Å
51N90.6Very high92.8Very high127 Ų12775.1 Ų75.168%0.67939%0.392SS*.SBendtrans-123.2137.1-176.2-66-68.3000110.7P49 V53P49-N51 PolarHBondContact O-N 2.88Å; N51-V53 PolarHBondContact O-N 3.12Å
52Y90.1Very high92.7Very high128 Ų12874 Ų7450%0.50239%0.388SS..  trans-78.4120.4172.6174.2-110.6000110.7Q33 P54Q33-Y52 HydrophobicContact CG-CE1 3.88Å; Q33-Y52 HydrophobicContact CG-CE2 3.78Å; Q33-Y52 VanDerWaalsContact CG-OH 3.32Å; Q33-Y52 WeakPolarHBondContact CG-OH 3.36Å; Y52-P54 HydrophobicContact CE1-CG 3.72Å
53V92.3Very high92.4Very high107 Ų10776.5 Ų76.565%0.64841%0.406SS*.  trans-121.1123168.9-178.70000107.8N51 T55N51-V53 PolarHBondContact O-N 3.12Å; V53-T55 PolarHBondContact O-N 3.38Å
54P92.6Very high92Very high84 Ų8476 Ų7655%0.54540%0.404SS..  trans-58.9119.1176.9-23.932.3000112.1Y52Y52-P54 HydrophobicContact CE1-CG 3.72Å
55T92.3Very high91.6Very high20 Ų2080.8 Ų80.812%0.12342%0.421CS..  trans-71.4134.2175.8-53.40000111T37 V53 E58 D77 S79T37-T55 PolarHBondContact OG1-OG1 2.78Å; V53-T55 PolarHBondContact O-N 3.38Å; T55-E58 HydrophobicContact CG2-CB 4.48Å; T55-E58 HydrophobicContact CG2-CG 4.21Å; T55-D77 HydrophobicContact CG2-CB 4.14Å; T55-D77 WeakPolarHBondContact CG2-OD2 3.5Å; T55-D77 PolarHBondContact OG1-OD2 3.11Å; T55-D77 VanDerWaalsContact OG1-OD2 3.11Å; T55-S79 VanDerWaalsContact O-CA 3.26Å; T55-S79 WeakPolarHBondContact O-CA 3.39Å; T55-S79 WeakPolarHBondContact O-CB 3.16Å; T55-S79 PolarHBondContact O-OG 2.87Å
56V91.6Very high91.3Very high69 Ų6975.8 Ų75.842%0.41840%0.4SS..SBendtrans-89.7-60.1161179.10000108.4S79 Y84V56-S79 PolarHBondContact O-N 2.89Å; V56-S79 VanDerWaalsContact O-N 3.15Å; V56-Y84 HydrophobicContact CB-CE1 4.29Å; V56-Y84 HydrophobicContact CG1-CD1 3.87Å; V56-Y84 HydrophobicContact CG1-CE1 3.53Å; V56-Y84 HydrophobicContact CG2-CE1 3.99Å; V56-Y84 HydrophobicContact CG2-CE2 4.36Å; V56-Y84 WeakPolarHBondContact CG2-OH 3.47Å
57F90Very high90.8Very high64 Ų6476.9 Ų76.928%0.28141%0.406SS..EExtended strand (participates in β ladder)trans-165.4129.5-177-154.8-90.5000110W76 D77F57-W76 HydrophobicContact CD1-CE3 4.39Å; F57-W76 HydrophobicContact CE1-CD2 4.41Å; F57-W76 AromaticContact CE1-CE3 3.17Å; F57-W76 HydrophobicContact CE1-CE3 3.17Å; F57-W76 HydrophobicContact CE1-CH2 4.41Å; F57-W76 AromaticContact CE1-CZ3 3.18Å; F57-W76 HydrophobicContact CE1-CZ3 3.18Å; F57-W76 HydrophobicContact CE2-CE3 4.32Å; F57-W76 HydrophobicContact CZ-CD2 4.47Å; F57-W76 AromaticContact CZ-CE3 3.15Å; F57-W76 HydrophobicContact CZ-CE3 3.15Å; F57-W76 AromaticContact CZ-CZ3 3.26Å; F57-W76 HydrophobicContact CZ-CZ3 3.26Å; F57-D77 WeakPolarHBondContact CA-O 3.47Å
58E94.7Very high90.3Very high103 Ų10380.1 Ų80.148%0.48142%0.424SS..EExtended strand (participates in β ladder)trans-141.3148.6176.7-73.5-66.7156.600110.4T55 Y60 D77T55-E58 HydrophobicContact CG2-CB 4.48Å; T55-E58 HydrophobicContact CG2-CG 4.21Å; E58-Y60 HydrophobicContact CB-CD2 4.48Å; E58-Y60 HydrophobicContact CB-CE2 3.7Å; E58-D77 HydrophobicContact CB-CB 4.1Å; E58-D77 PolarHBondContact N-O 3.46Å; E58-D77 PolarHBondContact O-N 2.93Å
59N94.8Very high90Very high71 Ų7179 Ų7938%0.3842%0.42SS..EExtended strand (participates in β ladder)trans-117.9125.1173.5-171.4-95.1000110.3S74 L75 W76N59-S74 PolarHBondContact ND2-OG 2.98Å; N59-S74 VanDerWaalsContact ND2-OG 3.13Å; N59-L75 WeakPolarHBondContact CA-O 3.29Å; N59-L75 PolarHBondContact ND2-O 3.45Å; N59-W76 PolarHBondContact ND2-NE1 3.28Å; N59-W76 VanDerWaalsContact ND2-NE1 3.12Å
60Y94.4Very high90Very high27 Ų2785.5 Ų85.511%0.10644%0.44CS..EExtended strand (participates in β ladder)trans-112145.2172.8-56-93.9000109.1L40 A44 E58 L75 D77L40-Y60 HydrophobicContact CB-CD2 4.27Å; L40-Y60 HydrophobicContact CB-CE2 4.33Å; L40-Y60 HydrophobicContact CD1-CD2 4.41Å; L40-Y60 HydrophobicContact CD1-CE2 4.5Å; A44-Y60 HydrophobicContact CB-CD1 4.23Å; A44-Y60 HydrophobicContact CB-CG 4.39Å; E58-Y60 HydrophobicContact CB-CD2 4.48Å; E58-Y60 HydrophobicContact CB-CE2 3.7Å; Y60-L75 PolarHBondContact N-O 3.29Å; Y60-L75 PolarHBondContact O-N 3.47Å; Y60-D77 HydrophobicContact CE2-CB 3.98Å
61T94.3Very high90.2Very high83 Ų8376.8 Ų76.851%0.50940%0.4SS..EExtended strand (participates in β ladder)trans-114.2128.9170-59.60000108.8E72 L73T61-E72 HydrophobicContact CG2-CG 3.88Å; T61-L73 WeakPolarHBondContact CA-O 3.2Å
62A93.8Very high90.4Very high10 Ų1073.3 Ų73.38%0.08338%0.379CS..EExtended strand (participates in β ladder)trans-130.3153.3174.900000109.8F43 L73 L75F43-A62 HydrophobicContact CD1-CB 4.04Å; F43-A62 HydrophobicContact CE1-CB 3.51Å; F43-A62 HydrophobicContact CZ-CB 4.24Å; A62-L73 PolarHBondContact N-O 3.13Å; A62-L73 PolarHBondContact O-N 2.82Å; A62-L75 HydrophobicContact CB-CD1 4.15Å
63S90.6Very high90.7Very high59 Ų5967.2 Ų67.241%0.41336%0.355SS..EExtended strand (participates in β ladder)trans-109.1133171-69.70000109.1R70 I71S63-R70 PolarHBondContact OG-NE 2.73Å; S63-R70 VanDerWaalsContact OG-NE 3.14Å; S63-R70 PolarHBondContact OG-NH2 2.99Å; S63-I71 CarbonylContact C-O 3.6Å; S63-I71 WeakPolarHBondContact CA-O 3.49Å
64F87.2Confident90.9Very high14 Ų1463.7 Ų63.76%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-129.2133.1179.6-157.6-100.6000109.8F43 I66 I71 L73 R186 H190 T193F43-F64 AromaticContact CE2-CD2 3.71Å; F43-F64 HydrophobicContact CE2-CD2 3.71Å; F43-F64 AromaticContact CE2-CE2 3.91Å; F43-F64 HydrophobicContact CE2-CE2 3.91Å; F43-F64 AromaticContact CZ-CD2 3.68Å; F43-F64 HydrophobicContact CZ-CD2 3.68Å; F43-F64 HydrophobicContact CZ-CE2 4.31Å; F43-F64 HydrophobicContact CZ-CG 4.41Å; F64-I66 HydrophobicContact CD1-CD1 4.04Å; F64-I66 HydrophobicContact CD1-CG1 3.72Å; F64-I66 HydrophobicContact CE1-CD1 4.14Å; F64-I66 HydrophobicContact CE1-CG1 3.86Å; F64-I71 PolarHBondContact N-O 3.5Å; F64-I71 WeakPolarHBondContact O-CB 3.45Å; F64-I71 PolarHBondContact O-N 3.42Å; F64-L73 HydrophobicContact CB-CD1 3.91Å; F64-L73 HydrophobicContact CB-CG 4.36Å; F64-R186 HydrophobicContact CE2-CG 3.91Å; F64-R186 HydrophobicContact CZ-CG 4.27Å; F64-H190 HydrophobicContact CE1-CB 3.84Å; F64-H190 AromaticContact CE1-ND1 3.56Å; F64-H190 HydrophobicContact CZ-CB 3.7Å; F64-H190 AromaticContact CZ-ND1 3.99Å; F64-T193 HydrophobicContact CD1-CG2 4.41Å
65E87.8Confident91.2Very high128 Ų12859.7 Ų59.760%0.59831%0.309SS*.EExtended strand (participates in β ladder)trans-103.9124.6-178.3-165.8177.2163.400110.2T68 Q69E65-T68 WeakPolarHBondContact OE1-CA 3.29Å; E65-Q69 WeakPolarHBondContact CA-O 3.4Å
66I85.4Confident91.5Very high12 Ų1261.5 Ų61.56%0.06231%0.314CS..EExtended strand (participates in β ladder)trans-128.4126.7174.4-60.6-172.8000107.8F64 T68 Q69 I71 T193 L194F64-I66 HydrophobicContact CD1-CD1 4.04Å; F64-I66 HydrophobicContact CD1-CG1 3.72Å; F64-I66 HydrophobicContact CE1-CD1 4.14Å; F64-I66 HydrophobicContact CE1-CG1 3.86Å; I66-T68 PolarHBondContact O-N 2.9Å; I66-T68 VanDerWaalsContact O-N 3.16Å; I66-Q69 PolarHBondContact N-O 3.08Å; I66-Q69 WeakPolarHBondContact O-CA 3.43Å; I66-Q69 WeakPolarHBondContact O-CB 3.48Å; I66-Q69 PolarHBondContact O-N 2.93Å; I66-I71 HydrophobicContact CB-CD1 4.06Å; I66-I71 HydrophobicContact CD1-CD1 4.03Å; I66-I71 HydrophobicContact CG1-CD1 4.05Å; I66-T193 HydrophobicContact CD1-CG2 3.42Å; I66-T193 VanDerWaalsContact CD1-CG2 3.42Å; I66-T193 HydrophobicContact CG1-CG2 4.36Å; I66-L194 HydrophobicContact CD1-CD2 3.92Å; I66-L194 HydrophobicContact CD1-CG 4.05Å; I66-L194 HydrophobicContact CG2-CD2 3.81Å
67D82.2Confident91.8Very high147 Ų14758.2 Ų58.279%0.78629%0.294SS*.THydrogen-bonded Turntrans48.144.1177.4-58-31000113.1Q69D67-Q69 PolarHBondContact O-N 2.67Å
68T81.1Confident92.2Very high129 Ų12955.1 Ų55.179%0.79128%0.281SS*.THydrogen-bonded Turntrans66.84.9-176.569.20000116.1E65 I66E65-T68 WeakPolarHBondContact OE1-CA 3.29Å; I66-T68 PolarHBondContact O-N 2.9Å; I66-T68 VanDerWaalsContact O-N 3.16Å
69Q86Confident92.3Very high61 Ų6150.6 Ų50.629%0.28526%0.26SS..EExtended strand (participates in β ladder)trans-95.3121.5171.6-178.5168.357.600110.6M16 E65 I66 D67 I71M16-Q69 VanDerWaalsContact CE-NE2 3.26Å; E65-Q69 WeakPolarHBondContact CA-O 3.4Å; I66-Q69 PolarHBondContact N-O 3.08Å; I66-Q69 WeakPolarHBondContact O-CA 3.43Å; I66-Q69 WeakPolarHBondContact O-CB 3.48Å; I66-Q69 PolarHBondContact O-N 2.93Å; D67-Q69 PolarHBondContact O-N 2.67Å; Q69-I71 HydrophobicContact CG-CG1 4.35Å
70R89.9Confident92.5Very high170 Ų17047.6 Ų47.664%0.64225%0.246SC*.EExtended strand (participates in β ladder)trans-77.9123.2171-172.2175.4178172.42.4110.5S63S63-R70 PolarHBondContact OG-NE 2.73Å; S63-R70 VanDerWaalsContact OG-NE 3.14Å; S63-R70 PolarHBondContact OG-NH2 2.99Å
71I93.3Very high92.6Very high0 Ų047.2 Ų47.20%025%0.247CC..EExtended strand (participates in β ladder)trans-112.9130.2178.5-58.5160.3000107.7V22 R24 S63 F64 I66 Q69 L73 T193 V197V22-I71 HydrophobicContact CB-CG1 4.34Å; V22-I71 HydrophobicContact CG1-CG2 4.48Å; V22-I71 CarbonylContact O-C 3.58Å; V22-I71 VanDerWaalsContact O-CA 3.29Å; V22-I71 WeakPolarHBondContact O-CA 3.37Å; V22-I71 WeakPolarHBondContact O-CG2 3.39Å; R24-I71 HydrophobicContact CB-CG2 4.41Å; R24-I71 HydrophobicContact CG-CG2 4.05Å; S63-I71 CarbonylContact C-O 3.6Å; S63-I71 WeakPolarHBondContact CA-O 3.49Å; F64-I71 PolarHBondContact N-O 3.5Å; F64-I71 WeakPolarHBondContact O-CB 3.45Å; F64-I71 PolarHBondContact O-N 3.42Å; I66-I71 HydrophobicContact CB-CD1 4.06Å; I66-I71 HydrophobicContact CD1-CD1 4.03Å; I66-I71 HydrophobicContact CG1-CD1 4.05Å; Q69-I71 HydrophobicContact CG-CG1 4.35Å; I71-L73 HydrophobicContact CG2-CD2 3.91Å; I71-T193 HydrophobicContact CB-CG2 4.33Å; I71-T193 HydrophobicContact CD1-CG2 3.47Å; I71-T193 VanDerWaalsContact CD1-CG2 3.47Å; I71-T193 HydrophobicContact CG1-CG2 4.49Å; I71-T193 HydrophobicContact CG2-CG2 4.01Å; I71-V197 HydrophobicContact CD1-CG2 3.55Å; I71-V197 HydrophobicContact CG1-CG2 4.45Å
72E95.1Very high92.7Very high54 Ų5447.5 Ų47.525%0.25225%0.25SS..EExtended strand (participates in β ladder)trans-93.8120.9174.5-170.5-174.9143.100108.7V22 K23 R24 T61V22-E72 PolarHBondContact O-N 2.99Å; K23-E72 CarbonylContact C-O 3.47Å; K23-E72 VanDerWaalsContact CA-O 3.3Å; K23-E72 WeakPolarHBondContact CA-O 3.03Å; K23-E72 WeakPolarHBondContact CE-OE2 3.46Å; K23-E72 HydrophobicContact CG-CB 4.19Å; K23-E72 IonicContact NZ-OE1 2.98Å; K23-E72 PolarHBondContact NZ-OE1 3.29Å; K23-E72 IonicContact NZ-OE2 2.72Å; K23-E72 PolarHBondContact NZ-OE2 3.48Å; R24-E72 PolarHBondContact N-O 3.49Å; T61-E72 HydrophobicContact CG2-CG 3.88Å
73L95.9Very high92.8Very high0 Ų057.1 Ų57.10%029%0.286CS..EExtended strand (participates in β ladder)trans-99.4119.9178.6-58.8180000109.3R24 I26 F43 T61 A62 F64 I71 L75 F189 T193R24-L73 HydrophobicContact CB-CD2 3.89Å; R24-L73 CarbonylContact O-C 3.57Å; R24-L73 WeakPolarHBondContact O-CA 3.44Å; I26-L73 HydrophobicContact CD1-CD1 4.44Å; I26-L73 HydrophobicContact CD1-CD2 4.1Å; F43-L73 HydrophobicContact CE1-CD1 3.74Å; F43-L73 HydrophobicContact CZ-CD1 3.75Å; T61-L73 WeakPolarHBondContact CA-O 3.2Å; A62-L73 PolarHBondContact N-O 3.13Å; A62-L73 PolarHBondContact O-N 2.82Å; F64-L73 HydrophobicContact CB-CD1 3.91Å; F64-L73 HydrophobicContact CB-CG 4.36Å; I71-L73 HydrophobicContact CG2-CD2 3.91Å; L73-L75 HydrophobicContact CB-CD2 3.77Å; L73-L75 HydrophobicContact CB-CG 4.22Å; L73-L75 HydrophobicContact CD1-CD2 4.43Å; L73-F189 HydrophobicContact CD1-CD1 4.45Å; L73-T193 HydrophobicContact CD2-CG2 4.24Å
74S97.3Very high93.1Very high32 Ų3258.2 Ų58.222%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-93.1109.1164.8-174.20000108R24 K25 I26 N59 W76R24-S74 PolarHBondContact O-N 3.31Å; K25-S74 WeakPolarHBondContact CA-O 3.49Å; I26-S74 PolarHBondContact N-O 2.8Å; N59-S74 PolarHBondContact ND2-OG 2.98Å; N59-S74 VanDerWaalsContact ND2-OG 3.13Å; S74-W76 PolarHBondContact OG-NE1 2.89Å
75L97.9Very high93.6Very high0 Ų060.1 Ų60.10%029%0.293CS..EExtended strand (participates in β ladder)trans-104.4127.6-173.9-48.4172.3000109.7I26 L40 F43 N59 Y60 A62 L73 F189I26-L75 HydrophobicContact CB-CD2 3.94Å; I26-L75 HydrophobicContact CD1-CD2 4.19Å; I26-L75 HydrophobicContact CG1-CD2 4.42Å; I26-L75 CarbonylContact O-C 3.27Å; I26-L75 WeakPolarHBondContact O-CA 3.46Å; L40-L75 HydrophobicContact CD2-CB 3.64Å; L40-L75 HydrophobicContact CD2-CD1 3.75Å; L40-L75 HydrophobicContact CD2-CD2 4.48Å; L40-L75 HydrophobicContact CD2-CG 4.17Å; F43-L75 HydrophobicContact CD1-CD1 3.54Å; F43-L75 HydrophobicContact CE1-CD1 3.82Å; N59-L75 WeakPolarHBondContact CA-O 3.29Å; N59-L75 PolarHBondContact ND2-O 3.45Å; Y60-L75 PolarHBondContact N-O 3.29Å; Y60-L75 PolarHBondContact O-N 3.47Å; A62-L75 HydrophobicContact CB-CD1 4.15Å; L73-L75 HydrophobicContact CB-CD2 3.77Å; L73-L75 HydrophobicContact CB-CG 4.22Å; L73-L75 HydrophobicContact CD1-CD2 4.43Å; L75-F189 HydrophobicContact CD1-CE1 4.38Å; L75-F189 HydrophobicContact CD2-CD1 4.3Å; L75-F189 HydrophobicContact CD2-CE1 3.77Å
76W98.1Very high94Very high58 Ų5861.5 Ų61.522%0.2230%0.304CS..EExtended strand (participates in β ladder)trans-112.8108.7-175.9-64.565000109.2I26 V27 V28 F57 N59 S74I26-W76 PolarHBondContact O-N 2.79Å; V27-W76 HydrophobicContact CB-CB 4.35Å; V27-W76 HydrophobicContact CG1-CB 4.31Å; V27-W76 HydrophobicContact CG2-CB 3.97Å; V27-W76 HydrophobicContact CG2-CG 4.23Å; V28-W76 PolarHBondContact N-O 3.27Å; F57-W76 HydrophobicContact CD1-CE3 4.39Å; F57-W76 HydrophobicContact CE1-CD2 4.41Å; F57-W76 AromaticContact CE1-CE3 3.17Å; F57-W76 HydrophobicContact CE1-CE3 3.17Å; F57-W76 HydrophobicContact CE1-CH2 4.41Å; F57-W76 AromaticContact CE1-CZ3 3.18Å; F57-W76 HydrophobicContact CE1-CZ3 3.18Å; F57-W76 HydrophobicContact CE2-CE3 4.32Å; F57-W76 HydrophobicContact CZ-CD2 4.47Å; F57-W76 AromaticContact CZ-CE3 3.15Å; F57-W76 HydrophobicContact CZ-CE3 3.15Å; F57-W76 AromaticContact CZ-CZ3 3.26Å; F57-W76 HydrophobicContact CZ-CZ3 3.26Å; N59-W76 PolarHBondContact ND2-NE1 3.28Å; N59-W76 VanDerWaalsContact ND2-NE1 3.12Å; S74-W76 PolarHBondContact OG-NE1 2.89Å
77D98.1Very high94.5Very high0 Ų064 Ų640%032%0.32CS..EExtended strand (participates in β ladder)trans-83.9134.4171.3-164.211.5000109.3T37 L40 T55 F57 E58 Y60T37-D77 WeakPolarHBondContact CA-OD2 3.35Å; T37-D77 VanDerWaalsContact CB-OD2 3.29Å; T37-D77 WeakPolarHBondContact CB-OD2 3.3Å; T37-D77 WeakPolarHBondContact CG2-OD2 3.38Å; T37-D77 PolarHBondContact OG1-OD2 2.64Å; L40-D77 HydrophobicContact CD1-CB 3.39Å; T55-D77 HydrophobicContact CG2-CB 4.14Å; T55-D77 WeakPolarHBondContact CG2-OD2 3.5Å; T55-D77 PolarHBondContact OG1-OD2 3.11Å; T55-D77 VanDerWaalsContact OG1-OD2 3.11Å; F57-D77 WeakPolarHBondContact CA-O 3.47Å; E58-D77 HydrophobicContact CB-CB 4.1Å; E58-D77 PolarHBondContact N-O 3.46Å; E58-D77 PolarHBondContact O-N 2.93Å; Y60-D77 HydrophobicContact CE2-CB 3.98Å
78T98.3Very high95.2Very high0 Ų057 Ų570%028%0.283CS..EExtended strand (participates in β ladder)trans-126.9152.8-175.770.80000111.3V27 V28 K36 R88V27-T78 HydrophobicContact CG1-CG2 3.89Å; V28-T78 PolarHBondContact O-OG1 3.02Å; K36-T78 WeakPolarHBondContact CE-O 3.38Å; T78-R88 HydrophobicContact CG2-CG 4.04Å; T78-R88 WeakPolarHBondContact OG1-CD 3.24Å
79S97.7Very high96Very high7 Ų751.8 Ų51.85%0.04925%0.251CS..  trans-63.1140.6171.2-160.20000111.5T55 V56 S81 Y84 R88T55-S79 VanDerWaalsContact O-CA 3.26Å; T55-S79 WeakPolarHBondContact O-CA 3.39Å; T55-S79 WeakPolarHBondContact O-CB 3.16Å; T55-S79 PolarHBondContact O-OG 2.87Å; V56-S79 PolarHBondContact O-N 2.89Å; V56-S79 VanDerWaalsContact O-N 3.15Å; S79-S81 VanDerWaalsContact C-N 3.33Å; S79-S81 PolarHBondContact OG-N 2.87Å; S79-Y84 VanDerWaalsContact OG-CD2 3.25Å; S79-Y84 WeakPolarHBondContact OG-CD2 3.48Å; S79-R88 WeakPolarHBondContact O-CD 3.47Å; S79-R88 PolarHBondContact O-NH1 3.44Å
80G97.5Very high96.5Very high8 Ų855 Ų558%0.08227%0.269CS..  trans-88.4-2168.100000113.8G30 S32G30-G80 WeakPolarHBondContact O-CA 3.47Å; S32-G80 VanDerWaalsContact OG-C 3.23Å
81S97.3Very high96.8Very high19 Ų1946.9 Ų46.913%0.13324%0.238CC..SBendtrans-81.3139.1-173.4170.50000111.8S32 S79 Y83 Y84 R88S32-S81 PolarHBondContact OG-N 3.48Å; S79-S81 VanDerWaalsContact C-N 3.33Å; S79-S81 PolarHBondContact OG-N 2.87Å; S81-Y83 PolarHBondContact O-N 3.18Å; S81-Y83 VanDerWaalsContact OG-CD2 3.26Å; S81-Y83 WeakPolarHBondContact OG-CD2 3.41Å; S81-Y83 PolarHBondContact OG-N 3.49Å; S81-Y84 PolarHBondContact O-N 3.07Å; S81-Y84 VanDerWaalsContact O-N 3.16Å; S81-R88 PolarHBondContact O-NH1 3.01Å
82P96.1Very high97Very high89 Ų8947 Ų4758%0.57824%0.239SC*.G310 helixtrans-55.6-28.2171.7-26.435.7000114.3Y84 D85P82-Y84 PolarHBondContact O-N 2.73Å; P82-Y84 VanDerWaalsContact O-N 3.07Å; P82-D85 VanDerWaalsContact CA-OD1 3.25Å; P82-D85 WeakPolarHBondContact CA-OD1 3.44Å; P82-D85 WeakPolarHBondContact O-CB 3.4Å; P82-D85 PolarHBondContact O-N 2.98Å; P82-D85 VanDerWaalsContact O-N 3.12Å
83Y97Very high97Very high213 Ų21347.9 Ų47.984%0.83525%0.249SC*.G310 helixtrans-61.4-18.4178.9-65.7-63000113.5S81S81-Y83 PolarHBondContact O-N 3.18Å; S81-Y83 VanDerWaalsContact OG-CD2 3.26Å; S81-Y83 WeakPolarHBondContact OG-CD2 3.41Å; S81-Y83 PolarHBondContact OG-N 3.49Å
84Y97.1Very high96.9Very high81 Ų8155 Ų5532%0.31829%0.288SS..G310 helixtrans-110.415.1180-61.6-79.3000113.3V56 S79 S81 P82 N86 V87 R88V56-Y84 HydrophobicContact CB-CE1 4.29Å; V56-Y84 HydrophobicContact CG1-CD1 3.87Å; V56-Y84 HydrophobicContact CG1-CE1 3.53Å; V56-Y84 HydrophobicContact CG2-CE1 3.99Å; V56-Y84 HydrophobicContact CG2-CE2 4.36Å; V56-Y84 WeakPolarHBondContact CG2-OH 3.47Å; S79-Y84 VanDerWaalsContact OG-CD2 3.25Å; S79-Y84 WeakPolarHBondContact OG-CD2 3.48Å; S81-Y84 PolarHBondContact O-N 3.07Å; S81-Y84 VanDerWaalsContact O-N 3.16Å; P82-Y84 PolarHBondContact O-N 2.73Å; P82-Y84 VanDerWaalsContact O-N 3.07Å; Y84-N86 PolarHBondContact O-N 2.71Å; Y84-V87 PolarHBondContact O-N 3.16Å; Y84-R88 WeakPolarHBondContact O-CB 3.41Å; Y84-R88 PolarHBondContact O-N 2.57Å
85D96.8Very high96.9Very high55 Ų5553.9 Ų53.929%0.29428%0.28SS..THydrogen-bonded Turntrans-58.5-30.4-179.3-73.32.7000112.9P82 R88 P89 K116P82-D85 VanDerWaalsContact CA-OD1 3.25Å; P82-D85 WeakPolarHBondContact CA-OD1 3.44Å; P82-D85 WeakPolarHBondContact O-CB 3.4Å; P82-D85 PolarHBondContact O-N 2.98Å; P82-D85 VanDerWaalsContact O-N 3.12Å; D85-R88 IonicContact OD1-CZ 3.63Å; D85-R88 IonicContact OD1-NH1 2.72Å; D85-R88 IonicContact OD1-NH2 3.31Å; D85-R88 PolarHBondContact OD1-NH2 2.92Å; D85-P89 WeakPolarHBondContact O-CD 3.33Å; D85-P89 VanDerWaalsContact O-CG 3.31Å; D85-P89 WeakPolarHBondContact O-CG 3.31Å; D85-K116 VanDerWaalsContact CG-NZ 3.25Å; D85-K116 IonicContact OD1-NZ 3.28Å; D85-K116 PolarHBondContact OD1-NZ 3.4Å; D85-K116 IonicContact OD2-NZ 3.87Å; D85-K116 PolarHBondContact OD2-NZ 3.22Å
86N96Very high96.8Very high156 Ų15656.4 Ų56.483%0.83429%0.293SS*.THydrogen-bonded Turntrans-84.4-16.5176.9-63.7-31.3000113.9Y84Y84-N86 PolarHBondContact O-N 2.71Å
87V95.9Very high96.8Very high64 Ų6453.8 Ų53.839%0.38828%0.283SS..THydrogen-bonded Turntrans-99.9-40.3-175.2-178.70000110.9Y84 P89 L90Y84-V87 PolarHBondContact O-N 3.16Å; V87-P89 VanDerWaalsContact C-CD 3.4Å; V87-P89 VanDerWaalsContact C-N 3.3Å; V87-L90 HydrophobicContact CG1-CD1 4.35Å; V87-L90 VanDerWaalsContact O-CB 3.25Å; V87-L90 WeakPolarHBondContact O-CB 3.36Å; V87-L90 VanDerWaalsContact O-CG 3.24Å; V87-L90 WeakPolarHBondContact O-CG 3.4Å; V87-L90 PolarHBondContact O-N 3.46Å
88R97.9Very high96.8Very high2 Ų253.8 Ų53.81%0.00828%0.283CS..G310 helixtrans-54.9-36.1-179.5-179169.551.9-107.4-8.1113.9T78 S79 S81 Y84 D85 L90 S91 Y92 E120T78-R88 HydrophobicContact CG2-CG 4.04Å; T78-R88 WeakPolarHBondContact OG1-CD 3.24Å; S79-R88 WeakPolarHBondContact O-CD 3.47Å; S79-R88 PolarHBondContact O-NH1 3.44Å; S81-R88 PolarHBondContact O-NH1 3.01Å; Y84-R88 WeakPolarHBondContact O-CB 3.41Å; Y84-R88 PolarHBondContact O-N 2.57Å; D85-R88 IonicContact OD1-CZ 3.63Å; D85-R88 IonicContact OD1-NH1 2.72Å; D85-R88 IonicContact OD1-NH2 3.31Å; D85-R88 PolarHBondContact OD1-NH2 2.92Å; R88-L90 PolarHBondContact O-N 3.48Å; R88-S91 WeakPolarHBondContact O-CB 3.39Å; R88-S91 PolarHBondContact O-N 3.47Å; R88-S91 PolarHBondContact O-OG 2.94Å; R88-Y92 WeakPolarHBondContact CG-OH 3.21Å; R88-E120 IonicContact CZ-OE1 3.7Å; R88-E120 IonicContact CZ-OE2 3.8Å; R88-E120 IonicContact NE-OE1 3.88Å; R88-E120 PolarHBondContact NE-OE1 2.82Å; R88-E120 IonicContact NE-OE2 2.81Å; R88-E120 IonicContact NH2-OE1 2.76Å; R88-E120 PolarHBondContact NH2-OE1 2.91Å; R88-E120 IonicContact NH2-OE2 3.54Å; R88-E120 PolarHBondContact NH2-OE2 3.21Å
89P97.2Very high96.8Very high19 Ų1953.8 Ų53.812%0.12328%0.283CS..G310 helixtrans-56.3-22175.7-3037.8000115.8D85 V87 S91 Y92 P93 F124D85-P89 WeakPolarHBondContact O-CD 3.33Å; D85-P89 VanDerWaalsContact O-CG 3.31Å; D85-P89 WeakPolarHBondContact O-CG 3.31Å; V87-P89 VanDerWaalsContact C-CD 3.4Å; V87-P89 VanDerWaalsContact C-N 3.3Å; P89-S91 PolarHBondContact O-N 3.18Å; P89-Y92 VanDerWaalsContact CA-CD2 3.43Å; P89-Y92 HydrophobicContact CB-CD2 4.09Å; P89-Y92 HydrophobicContact CB-CE2 4.24Å; P89-Y92 HydrophobicContact CG-CE2 4.3Å; P89-Y92 PolarHBondContact O-N 3.29Å; P89-Y92 VanDerWaalsContact O-N 3.15Å; P89-P93 WeakPolarHBondContact O-CD 3.44Å; P89-F124 HydrophobicContact CB-CD1 3.82Å; P89-F124 HydrophobicContact CB-CD2 4.14Å; P89-F124 HydrophobicContact CB-CE1 3.62Å; P89-F124 HydrophobicContact CB-CE2 3.99Å; P89-F124 HydrophobicContact CB-CG 4.09Å; P89-F124 HydrophobicContact CB-CZ 3.72Å; P89-F124 HydrophobicContact CG-CD2 4.13Å; P89-F124 HydrophobicContact CG-CE1 4.03Å; P89-F124 HydrophobicContact CG-CE2 3.63Å; P89-F124 HydrophobicContact CG-CZ 3.57Å
90L95.9Very high96.9Very high127 Ų12753.4 Ų53.467%0.66528%0.281SS*.G310 helixtrans-65-18.3174.8-56.1176.9000112.9V87 R88V87-L90 HydrophobicContact CG1-CD1 4.35Å; V87-L90 VanDerWaalsContact O-CB 3.25Å; V87-L90 WeakPolarHBondContact O-CB 3.36Å; V87-L90 VanDerWaalsContact O-CG 3.24Å; V87-L90 WeakPolarHBondContact O-CG 3.4Å; V87-L90 PolarHBondContact O-N 3.46Å; R88-L90 PolarHBondContact O-N 3.48Å
91S96.9Very high97Very high0 Ų053 Ų530%028%0.277CS..G310 helixtrans-78.7-23.7173.661.50000114.2K25 V27 R88 P89K25-S91 WeakPolarHBondContact CE-O 3.42Å; K25-S91 PolarHBondContact NZ-O 3.16Å; V27-S91 WeakPolarHBondContact CG2-O 3.39Å; R88-S91 WeakPolarHBondContact O-CB 3.39Å; R88-S91 PolarHBondContact O-N 3.47Å; R88-S91 PolarHBondContact O-OG 2.94Å; P89-S91 PolarHBondContact O-N 3.18Å
92Y97.3Very high97Very high2 Ų252.1 Ų52.11%0.00827%0.271CS..  trans-74.9-30.9-167.7-59.7-37.9000117.3V27 V29 R88 P89 D94 S95 E120 I121 F124V27-Y92 HydrophobicContact CG1-CD1 3.98Å; V27-Y92 HydrophobicContact CG1-CE1 3.88Å; V29-Y92 HydrophobicContact CG1-CE1 3.73Å; V29-Y92 WeakPolarHBondContact CG1-OH 3.46Å; R88-Y92 WeakPolarHBondContact CG-OH 3.21Å; P89-Y92 VanDerWaalsContact CA-CD2 3.43Å; P89-Y92 HydrophobicContact CB-CD2 4.09Å; P89-Y92 HydrophobicContact CB-CE2 4.24Å; P89-Y92 HydrophobicContact CG-CE2 4.3Å; P89-Y92 PolarHBondContact O-N 3.29Å; P89-Y92 VanDerWaalsContact O-N 3.15Å; Y92-D94 PolarHBondContact O-N 2.98Å; Y92-S95 WeakPolarHBondContact O-CB 3.13Å; Y92-S95 PolarHBondContact O-N 3.03Å; Y92-S95 PolarHBondContact O-OG 3.47Å; Y92-E120 HydrophobicContact CE2-CG 4.1Å; Y92-E120 PolarHBondContact OH-OE1 2.9Å; Y92-I121 HydrophobicContact CD1-CD1 4.17Å; Y92-I121 HydrophobicContact CE1-CD1 3.55Å; Y92-I121 HydrophobicContact CE2-CD1 4.28Å; Y92-F124 HydrophobicContact CD2-CB 3.34Å; Y92-F124 AromaticContact CD2-CD2 3.86Å; Y92-F124 HydrophobicContact CD2-CD2 3.86Å; Y92-F124 AromaticContact CD2-CG 3.7Å; Y92-F124 HydrophobicContact CD2-CG 3.7Å; Y92-F124 HydrophobicContact CE2-CB 4.12Å; Y92-F124 AromaticContact CE2-CD2 3.84Å; Y92-F124 HydrophobicContact CE2-CD2 3.84Å; Y92-F124 HydrophobicContact CE2-CG 4.18Å; Y92-F124 HydrophobicContact CG-CB 4.07Å
93P95.8Very high97.2Very high73 Ų7348 Ų4847%0.47424%0.244SC..THydrogen-bonded Turntrans-51.4135.6-178.6-30.236.5000112.8K25 P89 S95K25-P93 PolarHBondContact NZ-O 3.21Å; P89-P93 WeakPolarHBondContact O-CD 3.44Å; P93-S95 PolarHBondContact O-N 3.41Å
94D93.7Very high97.3Very high151 Ų15137.8 Ų37.881%0.80720%0.204SC*.THydrogen-bonded Turntrans59.724177.6-50.5-49.3000115.7Y92 D96Y92-D94 PolarHBondContact O-N 2.98Å; D94-D96 PolarHBondContact O-N 3.47Å
95S96.6Very high97.3Very high8 Ų834.7 Ų34.76%0.05619%0.194CC..  trans-71.6127.8175.3-57.30000111.5V27 Y92 P93 T128V27-S95 WeakPolarHBondContact CG2-OG 3.03Å; Y92-S95 WeakPolarHBondContact O-CB 3.13Å; Y92-S95 PolarHBondContact O-N 3.03Å; Y92-S95 PolarHBondContact O-OG 3.47Å; P93-S95 PolarHBondContact O-N 3.41Å; S95-T128 WeakPolarHBondContact O-CG2 3.16Å; S95-T128 PolarHBondContact O-OG1 3.29Å
96D96.4Very high97.4Very high53 Ų5335 Ų3528%0.28319%0.191SC..SBendtrans-78.8-36.2174.7-64.9-79.2000111.5R24 K25 D94 K129 C196R24-D96 WeakPolarHBondContact CA-OD2 3.36Å; R24-D96 HydrophobicContact CB-CB 4.48Å; R24-D96 WeakPolarHBondContact CD-OD1 3.49Å; R24-D96 VanDerWaalsContact CD-OD2 3.29Å; R24-D96 WeakPolarHBondContact CD-OD2 3.05Å; R24-D96 IonicContact NE-OD1 2.82Å; K25-D96 PolarHBondContact N-OD2 3.38Å; K25-D96 WeakPolarHBondContact O-CB 3.48Å; K25-D96 PolarHBondContact O-N 2.86Å; D94-D96 PolarHBondContact O-N 3.47Å; D96-K129 PolarHBondContact O-N 2.93Å; D96-C196 HydrophobicContact CB-CB 4.07Å
97A97.5Very high97.5Very high2 Ų228.8 Ų28.82%0.01716%0.159CC..EExtended strand (participates in β ladder)trans-143.4156.8170.500000112.6K25 I26 V27 K129 C196K25-A97 PolarHBondContact O-N 3.25Å; I26-A97 WeakPolarHBondContact CA-O 3.25Å; V27-A97 PolarHBondContact N-O 3.25Å; V27-A97 VanDerWaalsContact N-O 3.08Å; A97-K129 CarbonylContact C-O 3.45Å; A97-K129 WeakPolarHBondContact CA-O 3.26Å; A97-K129 HydrophobicContact CB-CB 4.19Å; A97-C196 WeakPolarHBondContact CB-SG 3.4Å
98V98.4Very high97.7Very high0 Ų029.7 Ų29.70%016%0.159CC..EExtended strand (participates in β ladder)trans-121.9129.1169-179.40000109.3V27 V29 I100 I121 T128 K129 I130 L131V27-V98 HydrophobicContact CB-CG2 4.43Å; V27-V98 CarbonylContact O-C 3.46Å; V27-V98 VanDerWaalsContact O-CA 3.3Å; V27-V98 WeakPolarHBondContact O-CA 3.42Å; V29-V98 HydrophobicContact CG1-CG1 4.43Å; V29-V98 HydrophobicContact CG2-CG1 3.88Å; V98-I100 HydrophobicContact CG1-CG1 4.28Å; V98-I121 HydrophobicContact CB-CG2 4.36Å; V98-I121 HydrophobicContact CG1-CD1 3.72Å; V98-I121 HydrophobicContact CG1-CG1 3.94Å; V98-I121 HydrophobicContact CG1-CG2 4.5Å; V98-I121 HydrophobicContact CG2-CD1 4.31Å; V98-I121 HydrophobicContact CG2-CG2 4.27Å; V98-T128 HydrophobicContact CG2-CG2 3.8Å; V98-K129 PolarHBondContact N-O 3.33Å; V98-I130 WeakPolarHBondContact O-CA 3.42Å; V98-L131 PolarHBondContact O-N 3.12Å
99L98.7Very high97.7Very high0 Ų029.6 Ų29.60%016%0.159CC..EExtended strand (participates in β ladder)trans-93.7117.6169.3-52.2-173.2000108.3I26 V27 V28 V29 L131 V133 L188 F189 A192I26-L99 HydrophobicContact CG2-CD1 3.94Å; I26-L99 HydrophobicContact CG2-CD2 4.26Å; I26-L99 HydrophobicContact CG2-CG 3.66Å; V27-L99 PolarHBondContact O-N 3.34Å; V28-L99 HydrophobicContact CG1-CB 4.24Å; V28-L99 HydrophobicContact CG2-CB 4.25Å; V28-L99 HydrophobicContact CG2-CD1 3.98Å; V28-L99 HydrophobicContact CG2-CG 4.33Å; V29-L99 PolarHBondContact N-O 3.12Å; L99-L131 WeakPolarHBondContact CA-O 3.47Å; L99-L131 HydrophobicContact CD2-CB 3.71Å; L99-L131 HydrophobicContact CD2-CD2 3.8Å; L99-L131 HydrophobicContact CD2-CG 4.24Å; L99-V133 HydrophobicContact CB-CG2 4.26Å; L99-V133 HydrophobicContact CD2-CG2 4.48Å; L99-L188 HydrophobicContact CD1-CD2 3.85Å; L99-F189 HydrophobicContact CD1-CE1 4.05Å; L99-F189 HydrophobicContact CD1-CZ 4.2Å; L99-A192 HydrophobicContact CD2-CB 4.01Å
100I98.8Very high97.8Very high0 Ų029.4 Ų29.40%016%0.156CC..EExtended strand (participates in β ladder)trans-96.9111.6170.6-56.9178.8000107.3V29 V98 V113 W117 I121 I130 L131 L132 V133 I169V29-I100 HydrophobicContact CG2-CB 4.35Å; V29-I100 HydrophobicContact CG2-CG1 3.85Å; V98-I100 HydrophobicContact CG1-CG1 4.28Å; I100-V113 HydrophobicContact CG2-CG1 4.11Å; I100-V113 HydrophobicContact CG2-CG2 4.07Å; I100-W117 HydrophobicContact CD1-CB 4.36Å; I100-W117 HydrophobicContact CG2-CB 3.7Å; I100-W117 HydrophobicContact CG2-CG 4.17Å; I100-I121 HydrophobicContact CD1-CG1 4.19Å; I100-I121 HydrophobicContact CG1-CG1 4.43Å; I100-I130 HydrophobicContact CD1-CG2 3.62Å; I100-I130 HydrophobicContact CG1-CG2 3.97Å; I100-L131 PolarHBondContact N-O 2.81Å; I100-L132 HydrophobicContact CB-CD1 4.33Å; I100-L132 HydrophobicContact CG2-CD1 4.27Å; I100-V133 PolarHBondContact O-N 3.32Å; I100-I169 HydrophobicContact CD1-CD1 4.02Å
101C98.9Very high97.9Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-100.6138.4-176.8-63.80000111.7V28 V29 G30 C34 K36 V133V28-C101 VanDerWaalsContact CG1-SG 3.57Å; V29-C101 PolarHBondContact O-N 3.04Å; G30-C101 VanDerWaalsContact CA-O 3.26Å; G30-C101 WeakPolarHBondContact CA-O 3.45Å; C34-C101 PolarHBondContact SG-O 3.41Å; K36-C101 HydrophobicContact CG-CB 3.99Å; C101-V133 WeakPolarHBondContact CA-O 3.49Å
102F98.9Very high98Very high0 Ų028.2 Ų28.20%015%0.153CC..EExtended strand (participates in β ladder)trans-130166166.372.6-88.4000110.2I104 L110 V113 L132 V133 C135 V157 Y173F102-I104 HydrophobicContact CE2-CG1 3.9Å; F102-I104 HydrophobicContact CZ-CG1 4.46Å; F102-L110 HydrophobicContact CD1-CD1 3.69Å; F102-L110 HydrophobicContact CD2-CB 4.03Å; F102-L110 HydrophobicContact CD2-CD1 3.96Å; F102-L110 HydrophobicContact CE1-CD1 3.6Å; F102-L110 HydrophobicContact CE2-CB 4.46Å; F102-L110 HydrophobicContact CE2-CD1 3.92Å; F102-L110 HydrophobicContact CG-CB 4.3Å; F102-L110 HydrophobicContact CG-CD1 3.86Å; F102-L110 HydrophobicContact CZ-CD1 3.73Å; F102-V113 HydrophobicContact CB-CG2 4.23Å; F102-V113 HydrophobicContact CD1-CG2 4.48Å; F102-L132 HydrophobicContact CD1-CD1 3.92Å; F102-L132 HydrophobicContact CD1-CG 4.21Å; F102-L132 HydrophobicContact CE1-CD1 4.18Å; F102-L132 HydrophobicContact CE1-CD2 4.1Å; F102-L132 HydrophobicContact CE1-CG 3.95Å; F102-V133 VanDerWaalsContact CD1-O 3.27Å; F102-V133 WeakPolarHBondContact CD1-O 3.4Å; F102-V133 PolarHBondContact N-O 3.08Å; F102-C135 WeakPolarHBondContact O-CB 3.32Å; F102-C135 PolarHBondContact O-N 3.24Å; F102-V157 HydrophobicContact CD2-CG2 4.47Å; F102-V157 HydrophobicContact CE2-CB 4.01Å; F102-V157 HydrophobicContact CE2-CG1 3.73Å; F102-V157 HydrophobicContact CE2-CG2 4.09Å; F102-V157 HydrophobicContact CZ-CG1 4.12Å; F102-Y173 AromaticContact CE1-CE2 3.66Å; F102-Y173 HydrophobicContact CE1-CE2 3.66Å; F102-Y173 AromaticContact CZ-CE2 3.74Å; F102-Y173 HydrophobicContact CZ-CE2 3.74Å; F102-Y173 WeakPolarHBondContact CZ-OH 3.25Å
103D98.9Very high98.1Very high1 Ų128.1 Ų28.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-100.8119-177.4-167.5-12.1000110.1C34 S105 R106 T109 K136C34-D103 HydrophobicContact CB-CB 3.97Å; D103-S105 PolarHBondContact O-N 2.91Å; D103-S105 PolarHBondContact OD1-N 3.32Å; D103-S105 PolarHBondContact OD1-OG 3.41Å; D103-R106 HydrophobicContact CB-CB 4.1Å; D103-R106 CarbonylContact O-C 3.4Å; D103-R106 PolarHBondContact O-N 3.08Å; D103-R106 IonicContact OD2-CZ 3.88Å; D103-R106 IonicContact OD2-NE 3Å; D103-R106 PolarHBondContact OD2-NE 3.24Å; D103-R106 IonicContact OD2-NH2 2.73Å; D103-R106 PolarHBondContact OD2-NH2 3.18Å; D103-T109 HydrophobicContact CB-CG2 4.23Å; D103-T109 PolarHBondContact N-OG1 3.2Å; D103-T109 PolarHBondContact O-OG1 2.92Å; D103-K136 WeakPolarHBondContact OD1-CD 3.45Å; D103-K136 IonicContact OD1-NZ 3.93Å; D103-K136 WeakPolarHBondContact OD2-CE 3.44Å; D103-K136 IonicContact OD2-NZ 2.86Å; D103-K136 PolarHBondContact OD2-NZ 2.54Å
104I98.9Very high98.1Very high0 Ų028 Ų280%015%0.148CC..THydrogen-bonded Turntrans-62.3-29.5-177-75.5164000111.8F102 R106 C135 S137 R140 P156 V157 E175F102-I104 HydrophobicContact CE2-CG1 3.9Å; F102-I104 HydrophobicContact CZ-CG1 4.46Å; I104-R106 VanDerWaalsContact C-N 3.26Å; I104-R106 PolarHBondContact O-N 2.83Å; I104-C135 WeakPolarHBondContact CB-O 2.94Å; I104-C135 WeakPolarHBondContact CD1-O 3.07Å; I104-C135 WeakPolarHBondContact CG1-O 3.28Å; I104-C135 PolarHBondContact N-O 2.72Å; I104-S137 VanDerWaalsContact CD1-CA 3.49Å; I104-R140 HydrophobicContact CG2-CB 4.1Å; I104-P156 HydrophobicContact CG2-CB 4.34Å; I104-P156 WeakPolarHBondContact O-CA 3.45Å; I104-V157 PolarHBondContact O-N 3.08Å; I104-E175 HydrophobicContact CD1-CB 4.31Å; I104-E175 HydrophobicContact CD1-CG 4.04Å
105S98.7Very high98.3Very high15 Ų1528.4 Ų28.411%0.10514%0.142CC..THydrogen-bonded Turntrans-78.5-6.9176.566.50000114D103 T145 L149D103-S105 PolarHBondContact O-N 2.91Å; D103-S105 PolarHBondContact OD1-N 3.32Å; D103-S105 PolarHBondContact OD1-OG 3.41Å; S105-T145 VanDerWaalsContact CB-CG2 3.5Å; S105-L149 WeakPolarHBondContact O-CD1 3.3Å
106R98.6Very high98.4Very high62 Ų6230.4 Ų30.423%0.23415%0.15CC..  trans-131.788.6-175-68.1-170.3-60.1127.6-5.2111.5S32 D103 I104 E108 T109S32-R106 PolarHBondContact O-NH2 2.89Å; D103-R106 HydrophobicContact CB-CB 4.1Å; D103-R106 CarbonylContact O-C 3.4Å; D103-R106 PolarHBondContact O-N 3.08Å; D103-R106 IonicContact OD2-CZ 3.88Å; D103-R106 IonicContact OD2-NE 3Å; D103-R106 PolarHBondContact OD2-NE 3.24Å; D103-R106 IonicContact OD2-NH2 2.73Å; D103-R106 PolarHBondContact OD2-NH2 3.18Å; I104-R106 VanDerWaalsContact C-N 3.26Å; I104-R106 PolarHBondContact O-N 2.83Å; R106-E108 VanDerWaalsContact C-OE2 3.24Å; R106-E108 WeakPolarHBondContact CB-OE1 3.24Å; R106-E108 IonicContact NH1-OE1 2.63Å; R106-E108 PolarHBondContact O-N 2.67Å; R106-E108 VanDerWaalsContact O-N 3.09Å; R106-T109 HydrophobicContact CB-CG2 3.9Å; R106-T109 WeakPolarHBondContact O-CB 3.25Å; R106-T109 PolarHBondContact O-N 3.43Å; R106-T109 PolarHBondContact O-OG1 3.32Å
107P98.6Very high98.5Very high25 Ų2527.9 Ų27.916%0.16214%0.136CC..Hα-helixtrans-53.8-30.8-175.9-28.236.6000114.8T109 L110 D111 T155 V157P107-T109 PolarHBondContact O-N 2.94Å; P107-L110 WeakPolarHBondContact O-CB 3.28Å; P107-L110 PolarHBondContact O-N 2.89Å; P107-D111 PolarHBondContact O-N 2.66Å; P107-T155 VanDerWaalsContact CG-O 3.27Å; P107-T155 WeakPolarHBondContact CG-O 3.41Å; P107-V157 HydrophobicContact CB-CG2 4.33Å; P107-V157 HydrophobicContact CG-CG2 4.41Å
108E98.5Very high98.5Very high83 Ų8331.1 Ų31.139%0.38815%0.148SC..Hα-helixtrans-61.9-26176.671.2-79.7-172.700113.2R106 L110 D111 S112R106-E108 VanDerWaalsContact C-OE2 3.24Å; R106-E108 WeakPolarHBondContact CB-OE1 3.24Å; R106-E108 IonicContact NH1-OE1 2.63Å; R106-E108 PolarHBondContact O-N 2.67Å; R106-E108 VanDerWaalsContact O-N 3.09Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-D111 WeakPolarHBondContact O-CB 3.25Å; E108-D111 PolarHBondContact O-N 2.68Å; E108-S112 PolarHBondContact O-N 2.87Å; E108-S112 VanDerWaalsContact O-N 3.11Å; E108-S112 PolarHBondContact O-OG 3.21Å
109T98.8Very high98.4Very high1 Ų133.1 Ų33.11%0.00617%0.169CC..Hα-helixtrans-75.3-25.9175.967.20000112.7D31 D103 R106 P107D31-T109 HydrophobicContact CB-CG2 3.83Å; D31-T109 WeakPolarHBondContact OD2-CA 3.34Å; D103-T109 HydrophobicContact CB-CG2 4.23Å; D103-T109 PolarHBondContact N-OG1 3.2Å; D103-T109 PolarHBondContact O-OG1 2.92Å; R106-T109 HydrophobicContact CB-CG2 3.9Å; R106-T109 WeakPolarHBondContact O-CB 3.25Å; R106-T109 PolarHBondContact O-N 3.43Å; R106-T109 PolarHBondContact O-OG1 3.32Å; P107-T109 PolarHBondContact O-N 2.94Å
110L98.8Very high98.4Very high14 Ų1434 Ų347%0.07317%0.173CC..Hα-helixtrans-70.2-41170.2-176.469.3000110.1F102 P107 E108 S112 V113 V157 Q161 M165F102-L110 HydrophobicContact CD1-CD1 3.69Å; F102-L110 HydrophobicContact CD2-CB 4.03Å; F102-L110 HydrophobicContact CD2-CD1 3.96Å; F102-L110 HydrophobicContact CE1-CD1 3.6Å; F102-L110 HydrophobicContact CE2-CB 4.46Å; F102-L110 HydrophobicContact CE2-CD1 3.92Å; F102-L110 HydrophobicContact CG-CB 4.3Å; F102-L110 HydrophobicContact CG-CD1 3.86Å; F102-L110 HydrophobicContact CZ-CD1 3.73Å; P107-L110 WeakPolarHBondContact O-CB 3.28Å; P107-L110 PolarHBondContact O-N 2.89Å; E108-L110 VanDerWaalsContact C-N 3.35Å; L110-S112 VanDerWaalsContact C-N 3.28Å; L110-S112 PolarHBondContact O-N 3.15Å; L110-V113 HydrophobicContact CD1-CG2 4.48Å; L110-V113 WeakPolarHBondContact O-CB 3.33Å; L110-V113 WeakPolarHBondContact O-CG2 3.33Å; L110-V113 PolarHBondContact O-N 3.15Å; L110-V113 VanDerWaalsContact O-N 3.09Å; L110-V157 HydrophobicContact CB-CG2 4.27Å; L110-V157 HydrophobicContact CD2-CG1 3.78Å; L110-V157 HydrophobicContact CD2-CG2 4.21Å; L110-Q161 HydrophobicContact CD2-CB 4.32Å; L110-M165 HydrophobicContact CD1-CB 3.87Å; L110-M165 HydrophobicContact CD1-CE 4.38Å; L110-M165 HydrophobicContact CD1-CG 3.68Å; L110-M165 HydrophobicContact CG-CB 4.42Å; L110-M165 HydrophobicContact CG-CE 3.97Å; L110-M165 HydrophobicContact CG-CG 4.28Å
111D98.4Very high98.4Very high76 Ų7634 Ų3441%0.40617%0.173SC..Hα-helixtrans-58.3-40.9174.1-86.78.4000112.3P107 E108 V113 L114 K115P107-D111 PolarHBondContact O-N 2.66Å; E108-D111 WeakPolarHBondContact O-CB 3.25Å; E108-D111 PolarHBondContact O-N 2.68Å; D111-V113 PolarHBondContact O-N 2.89Å; D111-V113 VanDerWaalsContact O-N 3.17Å; D111-L114 PolarHBondContact O-N 2.93Å; D111-K115 HydrophobicContact CB-CD 4.25Å; D111-K115 WeakPolarHBondContact O-CG 3.48Å; D111-K115 PolarHBondContact O-N 3.21Å; D111-K115 VanDerWaalsContact O-N 3.13Å; D111-K115 IonicContact OD2-NZ 2.88Å; D111-K115 PolarHBondContact OD2-NZ 3.03Å
112S98.7Very high98.2Very high26 Ų2638.9 Ų38.918%0.18220%0.196CC..Hα-helixtrans-57.4-26.3176.5-64.10000113D31 E108 L110 L114 K115 K116 W117D31-S112 WeakPolarHBondContact OD1-CB 3.25Å; D31-S112 PolarHBondContact OD1-OG 3.22Å; D31-S112 WeakPolarHBondContact OD2-CB 3.29Å; D31-S112 PolarHBondContact OD2-OG 2.99Å; E108-S112 PolarHBondContact O-N 2.87Å; E108-S112 VanDerWaalsContact O-N 3.11Å; E108-S112 PolarHBondContact O-OG 3.21Å; L110-S112 VanDerWaalsContact C-N 3.28Å; L110-S112 PolarHBondContact O-N 3.15Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 3.05Å; S112-K115 PolarHBondContact O-N 3.02Å; S112-K116 PolarHBondContact O-N 3.35Å; S112-W117 VanDerWaalsContact O-CD1 3.31Å; S112-W117 PolarHBondContact O-N 3.14Å; S112-W117 VanDerWaalsContact O-N 3.12Å
113V98.6Very high98.1Very high0 Ų045.7 Ų45.70%023%0.228CC..Iπ-helixtrans-57-46.4177.1175.50000111.1I100 F102 L110 D111 W117 R118 L132 M165 I169I100-V113 HydrophobicContact CG2-CG1 4.11Å; I100-V113 HydrophobicContact CG2-CG2 4.07Å; F102-V113 HydrophobicContact CB-CG2 4.23Å; F102-V113 HydrophobicContact CD1-CG2 4.48Å; L110-V113 HydrophobicContact CD1-CG2 4.48Å; L110-V113 WeakPolarHBondContact O-CB 3.33Å; L110-V113 WeakPolarHBondContact O-CG2 3.33Å; L110-V113 PolarHBondContact O-N 3.15Å; L110-V113 VanDerWaalsContact O-N 3.09Å; D111-V113 PolarHBondContact O-N 2.89Å; D111-V113 VanDerWaalsContact O-N 3.17Å; V113-W117 PolarHBondContact O-N 3.23Å; V113-R118 VanDerWaalsContact O-CB 3.27Å; V113-R118 WeakPolarHBondContact O-CB 3.47Å; V113-R118 PolarHBondContact O-N 3.07Å; V113-L132 HydrophobicContact CG1-CD1 3.79Å; V113-L132 HydrophobicContact CG2-CD1 3.92Å; V113-M165 HydrophobicContact CB-CG 4.48Å; V113-M165 HydrophobicContact CG1-CG 4.18Å; V113-M165 HydrophobicContact CG1-SD 4.33Å; V113-I169 HydrophobicContact CG1-CD1 3.74Å; V113-I169 HydrophobicContact CG1-CG2 4.3Å
114L97.3Very high98Very high72 Ų7250 Ų5038%0.37725%0.247SC..Iπ-helixtrans-80.9-41.8176.7-72.3173.4000112.5D111 S112 K116 M165 I169D111-L114 PolarHBondContact O-N 2.93Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 3.05Å; L114-K116 VanDerWaalsContact C-N 3.29Å; L114-K116 PolarHBondContact O-N 3.38Å; L114-M165 HydrophobicContact CD1-CE 3.58Å; L114-M165 HydrophobicContact CD1-SD 3.58Å; L114-M165 VanDerWaalsContact CD1-SD 3.58Å; L114-M165 HydrophobicContact CD2-SD 3.92Å; L114-M165 HydrophobicContact CG-CE 3.81Å; L114-M165 HydrophobicContact CG-SD 3.39Å; L114-M165 WeakPolarHBondContact CG-SD 3.45Å; L114-I169 HydrophobicContact CD2-CG2 3.52Å; L114-I169 HydrophobicContact CG-CG2 4.49Å
115K97.8Very high97.7Very high159 Ų15950.5 Ų50.569%0.69125%0.25SC*.Iπ-helixtrans-68-30.1-172.8-68.4171.6-175.2165.20112.4D111 S112D111-K115 HydrophobicContact CB-CD 4.25Å; D111-K115 WeakPolarHBondContact O-CG 3.48Å; D111-K115 PolarHBondContact O-N 3.21Å; D111-K115 VanDerWaalsContact O-N 3.13Å; D111-K115 IonicContact OD2-NZ 2.88Å; D111-K115 PolarHBondContact OD2-NZ 3.03Å; S112-K115 PolarHBondContact O-N 3.02Å
116K98.1Very high97.4Very high49 Ų4953.2 Ų53.221%0.21327%0.267CS..Iπ-helixtrans-133.1-65.8-173.7177174.3177.21590112.6D85 S112 L114 R118 G119 E120D85-K116 VanDerWaalsContact CG-NZ 3.25Å; D85-K116 IonicContact OD1-NZ 3.28Å; D85-K116 PolarHBondContact OD1-NZ 3.4Å; D85-K116 IonicContact OD2-NZ 3.87Å; D85-K116 PolarHBondContact OD2-NZ 3.22Å; S112-K116 PolarHBondContact O-N 3.35Å; L114-K116 VanDerWaalsContact C-N 3.29Å; L114-K116 PolarHBondContact O-N 3.38Å; K116-R118 PolarHBondContact O-N 2.97Å; K116-G119 PolarHBondContact O-N 2.85Å; K116-G119 VanDerWaalsContact O-N 3.08Å; K116-E120 WeakPolarHBondContact CE-OE2 3.32Å; K116-E120 PolarHBondContact O-N 2.72Å
117W98.5Very high97Very high0 Ų057.7 Ų57.70%030%0.295CS..Iπ-helixtrans-62.8-43.7-160.7-61.4114.4000113V29 G30 D31 I100 S112 V113 G119 E120 I121V29-W117 HydrophobicContact CB-CE3 3.87Å; V29-W117 HydrophobicContact CB-CZ3 4.02Å; V29-W117 HydrophobicContact CG2-CE3 4.03Å; G30-W117 VanDerWaalsContact C-CE2 3.43Å; G30-W117 VanDerWaalsContact CA-CE2 3.43Å; G30-W117 VanDerWaalsContact O-CZ2 3.28Å; G30-W117 WeakPolarHBondContact O-CZ2 3.41Å; D31-W117 PolarHBondContact OD1-NE1 3.29Å; I100-W117 HydrophobicContact CD1-CB 4.36Å; I100-W117 HydrophobicContact CG2-CB 3.7Å; I100-W117 HydrophobicContact CG2-CG 4.17Å; S112-W117 VanDerWaalsContact O-CD1 3.31Å; S112-W117 PolarHBondContact O-N 3.14Å; S112-W117 VanDerWaalsContact O-N 3.12Å; V113-W117 PolarHBondContact O-N 3.23Å; W117-G119 VanDerWaalsContact C-N 3.34Å; W117-G119 PolarHBondContact O-N 3.41Å; W117-E120 PolarHBondContact O-N 2.95Å; W117-I121 VanDerWaalsContact O-CG1 3.29Å; W117-I121 WeakPolarHBondContact O-CG1 3.37Å; W117-I121 PolarHBondContact O-N 3.09Å
118R97.3Very high96.8Very high70 Ų7057.9 Ų57.926%0.26430%0.296SS..Hα-helixtrans-59.3-45.4176.4-179.5179.9-173.4154.66.6112.4V113 K116 I121 Q122 Q168 I169V113-R118 VanDerWaalsContact O-CB 3.27Å; V113-R118 WeakPolarHBondContact O-CB 3.47Å; V113-R118 PolarHBondContact O-N 3.07Å; K116-R118 PolarHBondContact O-N 2.97Å; R118-I121 PolarHBondContact O-N 2.85Å; R118-Q122 VanDerWaalsContact O-CB 3.25Å; R118-Q122 WeakPolarHBondContact O-CB 3.33Å; R118-Q122 PolarHBondContact O-N 2.91Å; R118-Q168 PolarHBondContact NH1-O 2.97Å; R118-I169 VanDerWaalsContact NH1-CB 3.26Å; R118-I169 PolarHBondContact NH2-O 3.1Å
119G97.7Very high96.7Very high42 Ų4258.8 Ų58.843%0.43330%0.299SS..Hα-helixtrans-61.5-47.4-179.600000111.3K116 W117 I121 Q122 E123K116-G119 PolarHBondContact O-N 2.85Å; K116-G119 VanDerWaalsContact O-N 3.08Å; W117-G119 VanDerWaalsContact C-N 3.34Å; W117-G119 PolarHBondContact O-N 3.41Å; G119-I121 PolarHBondContact O-N 2.96Å; G119-Q122 PolarHBondContact O-N 3.09Å; G119-E123 WeakPolarHBondContact O-CB 3.02Å; G119-E123 PolarHBondContact O-N 2.81Å
120E98.2Very high96.6Very high20 Ų2060.4 Ų60.49%0.09331%0.307CS..Hα-helixtrans-58.4-48.8177.8-166.6176.9127.700111.3R88 Y92 K116 W117 Q122 E123 F124R88-E120 IonicContact CZ-OE1 3.7Å; R88-E120 IonicContact CZ-OE2 3.8Å; R88-E120 IonicContact NE-OE1 3.88Å; R88-E120 PolarHBondContact NE-OE1 2.82Å; R88-E120 IonicContact NE-OE2 2.81Å; R88-E120 IonicContact NH2-OE1 2.76Å; R88-E120 PolarHBondContact NH2-OE1 2.91Å; R88-E120 IonicContact NH2-OE2 3.54Å; R88-E120 PolarHBondContact NH2-OE2 3.21Å; Y92-E120 HydrophobicContact CE2-CG 4.1Å; Y92-E120 PolarHBondContact OH-OE1 2.9Å; K116-E120 WeakPolarHBondContact CE-OE2 3.32Å; K116-E120 PolarHBondContact O-N 2.72Å; W117-E120 PolarHBondContact O-N 2.95Å; E120-Q122 PolarHBondContact O-N 3.25Å; E120-E123 PolarHBondContact O-N 2.81Å; E120-F124 HydrophobicContact CG-CD2 3.99Å; E120-F124 HydrophobicContact CG-CE2 4.04Å; E120-F124 VanDerWaalsContact O-CD2 3.24Å; E120-F124 WeakPolarHBondContact O-CD2 3.34Å; E120-F124 PolarHBondContact O-N 3.34Å; E120-F124 VanDerWaalsContact O-N 3.1Å
121I97.5Very high96.6Very high0 Ų060.2 Ų60.20%031%0.306CS..Hα-helixtrans-64.9-39178.9-63.5-44.8000112V29 Y92 V98 I100 W117 R118 G119 E123 C125 I130V29-I121 HydrophobicContact CG1-CD1 4.3Å; V29-I121 HydrophobicContact CG2-CD1 4.17Å; V29-I121 HydrophobicContact CG2-CG1 4.32Å; Y92-I121 HydrophobicContact CD1-CD1 4.17Å; Y92-I121 HydrophobicContact CE1-CD1 3.55Å; Y92-I121 HydrophobicContact CE2-CD1 4.28Å; V98-I121 HydrophobicContact CB-CG2 4.36Å; V98-I121 HydrophobicContact CG1-CD1 3.72Å; V98-I121 HydrophobicContact CG1-CG1 3.94Å; V98-I121 HydrophobicContact CG1-CG2 4.5Å; V98-I121 HydrophobicContact CG2-CD1 4.31Å; V98-I121 HydrophobicContact CG2-CG2 4.27Å; I100-I121 HydrophobicContact CD1-CG1 4.19Å; I100-I121 HydrophobicContact CG1-CG1 4.43Å; W117-I121 VanDerWaalsContact O-CG1 3.29Å; W117-I121 WeakPolarHBondContact O-CG1 3.37Å; W117-I121 PolarHBondContact O-N 3.09Å; R118-I121 PolarHBondContact O-N 2.85Å; G119-I121 PolarHBondContact O-N 2.96Å; I121-E123 VanDerWaalsContact C-N 3.28Å; I121-E123 PolarHBondContact O-N 2.83Å; I121-C125 VanDerWaalsContact CG2-SG 3.59Å; I121-C125 CarbonylContact O-C 3.3Å; I121-C125 VanDerWaalsContact O-C 3.27Å; I121-C125 WeakPolarHBondContact O-CA 3.27Å; I121-C125 PolarHBondContact O-N 2.78Å; I121-C125 PolarHBondContact O-SG 2.94Å; I121-I130 HydrophobicContact CB-CD1 4.44Å; I121-I130 HydrophobicContact CG2-CD1 3.61Å; I121-I130 HydrophobicContact CG2-CG1 3.9Å
122Q96.3Very high96.6Very high102 Ų10256.6 Ų56.648%0.47729%0.287SS..Hα-helixtrans-65.8-31.8177.7-175.361.169.700112.6R118 G119 E120 P126R118-Q122 VanDerWaalsContact O-CB 3.25Å; R118-Q122 WeakPolarHBondContact O-CB 3.33Å; R118-Q122 PolarHBondContact O-N 2.91Å; G119-Q122 PolarHBondContact O-N 3.09Å; E120-Q122 PolarHBondContact O-N 3.25Å; Q122-P126 VanDerWaalsContact NE2-CB 3.28Å; Q122-P126 WeakPolarHBondContact O-CB 3.15Å
123E96.9Very high96.6Very high143 Ų14355.3 Ų55.367%0.66828%0.278SS*.Hα-helixtrans-72.6-49.7177.5-177.2175174.800111.6G119 E120 I121G119-E123 WeakPolarHBondContact O-CB 3.02Å; G119-E123 PolarHBondContact O-N 2.81Å; E120-E123 PolarHBondContact O-N 2.81Å; I121-E123 VanDerWaalsContact C-N 3.28Å; I121-E123 PolarHBondContact O-N 2.83Å
124F96.3Very high96.6Very high92 Ų9255.3 Ų55.340%0.40428%0.278SS..Hα-helixtrans-92.7-26.9-171.4-66.9-73.4000114.9P89 Y92 E120P89-F124 HydrophobicContact CB-CD1 3.82Å; P89-F124 HydrophobicContact CB-CD2 4.14Å; P89-F124 HydrophobicContact CB-CE1 3.62Å; P89-F124 HydrophobicContact CB-CE2 3.99Å; P89-F124 HydrophobicContact CB-CG 4.09Å; P89-F124 HydrophobicContact CB-CZ 3.72Å; P89-F124 HydrophobicContact CG-CD2 4.13Å; P89-F124 HydrophobicContact CG-CE1 4.03Å; P89-F124 HydrophobicContact CG-CE2 3.63Å; P89-F124 HydrophobicContact CG-CZ 3.57Å; Y92-F124 HydrophobicContact CD2-CB 3.34Å; Y92-F124 AromaticContact CD2-CD2 3.86Å; Y92-F124 HydrophobicContact CD2-CD2 3.86Å; Y92-F124 AromaticContact CD2-CG 3.7Å; Y92-F124 HydrophobicContact CD2-CG 3.7Å; Y92-F124 HydrophobicContact CE2-CB 4.12Å; Y92-F124 AromaticContact CE2-CD2 3.84Å; Y92-F124 HydrophobicContact CE2-CD2 3.84Å; Y92-F124 HydrophobicContact CE2-CG 4.18Å; Y92-F124 HydrophobicContact CG-CB 4.07Å; E120-F124 HydrophobicContact CG-CD2 3.99Å; E120-F124 HydrophobicContact CG-CE2 4.04Å; E120-F124 VanDerWaalsContact O-CD2 3.24Å; E120-F124 WeakPolarHBondContact O-CD2 3.34Å; E120-F124 PolarHBondContact O-N 3.34Å; E120-F124 VanDerWaalsContact O-N 3.1Å
125C92.8Very high96.7Very high10 Ų1051.9 Ų51.97%0.06826%0.26CS..  trans-14364.1-177.953.60000112.7I121 N127 T128I121-C125 VanDerWaalsContact CG2-SG 3.59Å; I121-C125 CarbonylContact O-C 3.3Å; I121-C125 VanDerWaalsContact O-C 3.27Å; I121-C125 WeakPolarHBondContact O-CA 3.27Å; I121-C125 PolarHBondContact O-N 2.78Å; I121-C125 PolarHBondContact O-SG 2.94Å; C125-N127 PolarHBondContact O-N 3.42Å; C125-N127 VanDerWaalsContact O-N 3.08Å; C125-T128 WeakPolarHBondContact O-CB 3.48Å; C125-T128 PolarHBondContact O-N 2.87Å; C125-T128 VanDerWaalsContact O-N 3.14Å
126P91.7Very high96.7Very high71 Ų7147.1 Ų47.146%0.46124%0.239SC..THydrogen-bonded Turntrans-63.3-21.4-170.124.3-36.4000115.5Q122Q122-P126 VanDerWaalsContact NE2-CB 3.28Å; Q122-P126 WeakPolarHBondContact O-CB 3.15Å
127N90.3Very high96.7Very high156 Ų15646.1 Ų46.183%0.83424%0.239SC*.THydrogen-bonded Turntrans-102.1-2.2-176.9-64.8-53.5000113.1C125C125-N127 PolarHBondContact O-N 3.42Å; C125-N127 VanDerWaalsContact O-N 3.08Å
128T94.6Very high96.7Very high30 Ų3046.9 Ų46.918%0.18424%0.242CC..SBendtrans-79.6146.3-175.3-64.30000110.9S95 V98 C125S95-T128 WeakPolarHBondContact O-CG2 3.16Å; S95-T128 PolarHBondContact O-OG1 3.29Å; V98-T128 HydrophobicContact CG2-CG2 3.8Å; C125-T128 WeakPolarHBondContact O-CB 3.48Å; C125-T128 PolarHBondContact O-N 2.87Å; C125-T128 VanDerWaalsContact O-N 3.14Å
129K95.7Very high96.8Very high101 Ų10145.3 Ų45.344%0.43924%0.239SC..EExtended strand (participates in β ladder)trans-70.9134.3177.9-60.8-61.1-173.1170.50109.9D96 A97 V98D96-K129 PolarHBondContact O-N 2.93Å; A97-K129 CarbonylContact C-O 3.45Å; A97-K129 WeakPolarHBondContact CA-O 3.26Å; A97-K129 HydrophobicContact CB-CB 4.19Å; V98-K129 PolarHBondContact N-O 3.33Å
130I97.2Very high96.8Very high36 Ų3646.3 Ų46.319%0.18523%0.23CC..EExtended strand (participates in β ladder)trans-108.7137.6176.6-59.2176.5000108.7V98 I100 I121 I169 A171 P172V98-I130 WeakPolarHBondContact O-CA 3.42Å; I100-I130 HydrophobicContact CD1-CG2 3.62Å; I100-I130 HydrophobicContact CG1-CG2 3.97Å; I121-I130 HydrophobicContact CB-CD1 4.44Å; I121-I130 HydrophobicContact CG2-CD1 3.61Å; I121-I130 HydrophobicContact CG2-CG1 3.9Å; I130-I169 HydrophobicContact CG2-CD1 4.12Å; I130-A171 HydrophobicContact CB-CB 4.2Å; I130-A171 HydrophobicContact CG2-CB 3.95Å; I130-A171 WeakPolarHBondContact O-CB 3.39Å; I130-P172 WeakPolarHBondContact O-CD 3.34Å
131L98.3Very high96.8Very high9 Ų950.9 Ų50.95%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-123.6127.5167.5-17565.5000108.7V98 L99 I100 V133 P172 I174 V191 A192V98-L131 PolarHBondContact O-N 3.12Å; L99-L131 WeakPolarHBondContact CA-O 3.47Å; L99-L131 HydrophobicContact CD2-CB 3.71Å; L99-L131 HydrophobicContact CD2-CD2 3.8Å; L99-L131 HydrophobicContact CD2-CG 4.24Å; I100-L131 PolarHBondContact N-O 2.81Å; L131-V133 HydrophobicContact CD2-CG2 4.43Å; L131-V133 HydrophobicContact CG-CG2 4.29Å; L131-P172 HydrophobicContact CD1-CB 3.55Å; L131-P172 HydrophobicContact CD1-CG 3.71Å; L131-I174 HydrophobicContact CD1-CG2 4.31Å; L131-I174 HydrophobicContact CD2-CG2 3.92Å; L131-I174 HydrophobicContact CG-CG2 4.15Å; L131-V191 HydrophobicContact CD1-CG1 4.2Å; L131-V191 HydrophobicContact CD2-CG1 4.29Å; L131-A192 HydrophobicContact CD2-CB 4.1Å
132L98.8Very high96.8Very high0 Ų053.5 Ų53.50%027%0.273CS..EExtended strand (participates in β ladder)trans-86.9129173.2-174.767.9000109.2I100 F102 V113 M165 A166 I169 P172 Y173 I174I100-L132 HydrophobicContact CB-CD1 4.33Å; I100-L132 HydrophobicContact CG2-CD1 4.27Å; F102-L132 HydrophobicContact CD1-CD1 3.92Å; F102-L132 HydrophobicContact CD1-CG 4.21Å; F102-L132 HydrophobicContact CE1-CD1 4.18Å; F102-L132 HydrophobicContact CE1-CD2 4.1Å; F102-L132 HydrophobicContact CE1-CG 3.95Å; V113-L132 HydrophobicContact CG1-CD1 3.79Å; V113-L132 HydrophobicContact CG2-CD1 3.92Å; L132-M165 HydrophobicContact CD2-CB 3.97Å; L132-M165 HydrophobicContact CD2-CG 3.75Å; L132-A166 HydrophobicContact CB-CB 4.14Å; L132-A166 HydrophobicContact CD2-CB 3.79Å; L132-I169 HydrophobicContact CD1-CD1 4.34Å; L132-P172 PolarHBondContact N-O 3.14Å; L132-Y173 HydrophobicContact CB-CD2 4.24Å; L132-Y173 HydrophobicContact CD2-CD2 3.99Å; L132-Y173 HydrophobicContact CD2-CE2 4.43Å; L132-Y173 HydrophobicContact CG-CD2 4.03Å; L132-Y173 HydrophobicContact CG-CE2 4.48Å; L132-Y173 WeakPolarHBondContact O-CA 3.47Å; L132-I174 PolarHBondContact O-N 3.49Å; L132-I174 VanDerWaalsContact O-N 3.09Å
133V98.9Very high96.9Very high0 Ų054.7 Ų54.70%028%0.282CS..EExtended strand (participates in β ladder)trans-121.7118.9-175.51770000110.2L39 L99 I100 C101 F102 L131 I174 L188L39-V133 HydrophobicContact CD2-CG1 4.34Å; L99-V133 HydrophobicContact CB-CG2 4.26Å; L99-V133 HydrophobicContact CD2-CG2 4.48Å; I100-V133 PolarHBondContact O-N 3.32Å; C101-V133 WeakPolarHBondContact CA-O 3.49Å; F102-V133 VanDerWaalsContact CD1-O 3.27Å; F102-V133 WeakPolarHBondContact CD1-O 3.4Å; F102-V133 PolarHBondContact N-O 3.08Å; L131-V133 HydrophobicContact CD2-CG2 4.43Å; L131-V133 HydrophobicContact CG-CG2 4.29Å; V133-I174 WeakPolarHBondContact CA-O 3.4Å; V133-I174 HydrophobicContact CG2-CG2 4.22Å; V133-L188 HydrophobicContact CB-CD1 4.21Å; V133-L188 HydrophobicContact CG1-CD1 3.38Å; V133-L188 HydrophobicContact CG2-CD1 3.76Å; V133-L188 HydrophobicContact CG2-CG 4.3Å
134G98.8Very high97Very high0 Ų052.6 Ų52.60%028%0.28CS..EExtended strand (participates in β ladder)trans-88.4107.4167.800000110.6I174 E175 C176G134-I174 PolarHBondContact N-O 3.14Å; G134-E175 CarbonylContact O-C 3.5Å; G134-E175 VanDerWaalsContact O-CA 3.25Å; G134-E175 WeakPolarHBondContact O-CA 3.28Å; G134-C176 PolarHBondContact O-N 2.83Å
135C98.8Very high97Very high0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-87.7159.7178.8-64.90000111.6C34 F102 I104 C176C34-C135 WeakPolarHBondContact O-CB 3.3Å; F102-C135 WeakPolarHBondContact O-CB 3.32Å; F102-C135 PolarHBondContact O-N 3.24Å; I104-C135 WeakPolarHBondContact CB-O 2.94Å; I104-C135 WeakPolarHBondContact CD1-O 3.07Å; I104-C135 WeakPolarHBondContact CG1-O 3.28Å; I104-C135 PolarHBondContact N-O 2.72Å; C135-C176 CarbonylContact C-O 3.58Å
136K98.5Very high97.3Very high58 Ų5851.8 Ų51.825%0.25228%0.279SS..  trans6043.5174.9-44.9-170-161.4161.60113.1Q33 D103 D138 L139 C176Q33-K136 WeakPolarHBondContact O-CE 3.49Å; Q33-K136 PolarHBondContact O-NZ 3.38Å; D103-K136 WeakPolarHBondContact OD1-CD 3.45Å; D103-K136 IonicContact OD1-NZ 3.93Å; D103-K136 WeakPolarHBondContact OD2-CE 3.44Å; D103-K136 IonicContact OD2-NZ 2.86Å; D103-K136 PolarHBondContact OD2-NZ 2.54Å; K136-D138 VanDerWaalsContact C-OD1 3.28Å; K136-D138 WeakPolarHBondContact CA-OD1 3.46Å; K136-D138 PolarHBondContact O-N 3.03Å; K136-D138 VanDerWaalsContact O-N 3.14Å; K136-L139 HydrophobicContact CB-CD1 3.86Å; K136-L139 HydrophobicContact CB-CG 4.08Å; K136-L139 HydrophobicContact CD-CD1 3.75Å; K136-L139 HydrophobicContact CG-CD1 4.47Å; K136-L139 WeakPolarHBondContact O-CB 3.43Å; K136-L139 PolarHBondContact O-N 3.12Å; K136-C176 PolarHBondContact N-O 3.12Å
137S98.6Very high97.6Very high29 Ų2952.1 Ų52.120%0.20328%0.28CS..G310 helixtrans-60.4-22.6-179.6580000113.7I104 L139 R140 C176 S177I104-S137 VanDerWaalsContact CD1-CA 3.49Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.16Å; S137-R140 VanDerWaalsContact O-CB 3.28Å; S137-R140 WeakPolarHBondContact O-CB 3.26Å; S137-R140 PolarHBondContact O-N 3.31Å; S137-C176 PolarHBondContact N-O 3.48Å; S137-C176 PolarHBondContact OG-O 2.81Å; S137-S177 PolarHBondContact OG-N 2.85Å
138D98.4Very high98Very high15 Ų1550.4 Ų50.48%0.0827%0.266CS..G310 helixtrans-58.4-33.9171.752.5-72.6000113.5K136 R140 T141 S177 Q180K136-D138 VanDerWaalsContact C-OD1 3.28Å; K136-D138 WeakPolarHBondContact CA-OD1 3.46Å; K136-D138 PolarHBondContact O-N 3.03Å; K136-D138 VanDerWaalsContact O-N 3.14Å; D138-R140 PolarHBondContact O-N 2.63Å; D138-T141 PolarHBondContact O-N 3.26Å; D138-T141 PolarHBondContact O-OG1 3.36Å; D138-S177 VanDerWaalsContact OD1-CB 3.24Å; D138-S177 WeakPolarHBondContact OD1-CB 3.48Å; D138-S177 PolarHBondContact OD1-OG 3.32Å; D138-Q180 HydrophobicContact CB-CB 4.46Å; D138-Q180 HydrophobicContact CB-CG 3.75Å; D138-Q180 VanDerWaalsContact CB-OE1 3.25Å
139L98.5Very high98.1Very high37 Ų3749.6 Ų49.619%0.19426%0.261CS..G310 helixtrans-73-10-179.2-61.3-176.9000113.4K136 S137 T141 D142 T145K136-L139 HydrophobicContact CB-CD1 3.86Å; K136-L139 HydrophobicContact CB-CG 4.08Å; K136-L139 HydrophobicContact CD-CD1 3.75Å; K136-L139 HydrophobicContact CG-CD1 4.47Å; K136-L139 WeakPolarHBondContact O-CB 3.43Å; K136-L139 PolarHBondContact O-N 3.12Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.16Å; L139-T141 PolarHBondContact O-N 3.19Å; L139-D142 HydrophobicContact CD2-CB 4.04Å; L139-D142 PolarHBondContact O-N 2.99Å; L139-T145 HydrophobicContact CB-CG2 4.33Å
140R98.3Very high98.2Very high63 Ų6348.6 Ų48.624%0.23827%0.267CS..G310 helixtrans-62.6-29.8175.2-173.4174.6-65.8122-10.6112.4I104 S137 D138 P156 V157 E175I104-R140 HydrophobicContact CG2-CB 4.1Å; S137-R140 VanDerWaalsContact O-CB 3.28Å; S137-R140 WeakPolarHBondContact O-CB 3.26Å; S137-R140 PolarHBondContact O-N 3.31Å; D138-R140 PolarHBondContact O-N 2.63Å; R140-P156 HydrophobicContact CB-CB 4.47Å; R140-P156 HydrophobicContact CG-CB 4.24Å; R140-V157 PolarHBondContact NE-O 3.07Å; R140-V157 PolarHBondContact NH2-O 3.21Å; R140-E175 IonicContact CZ-OE1 3.92Å; R140-E175 IonicContact CZ-OE2 3.54Å; R140-E175 VanDerWaalsContact CZ-OE2 3.28Å; R140-E175 IonicContact NH1-OE1 3.03Å; R140-E175 IonicContact NH1-OE2 3.29Å; R140-E175 PolarHBondContact NH1-OE2 3.27Å; R140-E175 IonicContact NH2-OE1 3.55Å; R140-E175 PolarHBondContact NH2-OE1 2.98Å; R140-E175 IonicContact NH2-OE2 2.89Å; R140-E175 PolarHBondContact NH2-OE2 3.34Å
141T97.8Very high98.2Very high116 Ų11652.7 Ų52.771%0.71229%0.289SS*.SBendtrans-109.83.5179.551.80000112.9D138 L139D138-T141 PolarHBondContact O-N 3.26Å; D138-T141 PolarHBondContact O-OG1 3.36Å; L139-T141 PolarHBondContact O-N 3.19Å
142D98.3Very high98.1Very high55 Ų5558.5 Ų58.529%0.29432%0.316SS..  trans-73.1126.3177.4171.956.8000110.9L139 T144 T145 L146L139-D142 HydrophobicContact CD2-CB 4.04Å; L139-D142 PolarHBondContact O-N 2.99Å; D142-T144 VanDerWaalsContact C-N 3.33Å; D142-T144 PolarHBondContact O-N 3.41Å; D142-T144 WeakPolarHBondContact OD2-CB 3.49Å; D142-T144 PolarHBondContact OD2-N 2.72Å; D142-T145 PolarHBondContact O-N 3.4Å; D142-T145 WeakPolarHBondContact OD2-CB 3.43Å; D142-T145 PolarHBondContact OD2-N 2.57Å; D142-T145 PolarHBondContact OD2-OG1 2.95Å; D142-L146 WeakPolarHBondContact O-CB 3Å; D142-L146 VanDerWaalsContact O-CG 3.24Å; D142-L146 WeakPolarHBondContact O-CG 3.31Å; D142-L146 PolarHBondContact O-N 3.32Å
143L97.9Very high98Very high127 Ų12770 Ų7067%0.66536%0.359SS*.Hα-helixtrans-64.7-38.2-174.8-176.362000112L146 V147L143-L146 PolarHBondContact O-N 3.29Å; L143-V147 HydrophobicContact CD1-CG2 4.31Å; L143-V147 HydrophobicContact CG-CG2 4.49Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.24Å; L143-V147 PolarHBondContact O-N 2.98Å
144T98.1Very high98Very high100 Ų10073.7 Ų73.761%0.61338%0.376SS*.Hα-helixtrans-63.9-48.7-179.4-49.20000110.2D142 L146 V147 E148D142-T144 VanDerWaalsContact C-N 3.33Å; D142-T144 PolarHBondContact O-N 3.41Å; D142-T144 WeakPolarHBondContact OD2-CB 3.49Å; D142-T144 PolarHBondContact OD2-N 2.72Å; T144-L146 VanDerWaalsContact C-N 3.35Å; T144-L146 PolarHBondContact O-N 2.88Å; T144-V147 PolarHBondContact O-N 2.76Å; T144-E148 WeakPolarHBondContact O-CB 3.46Å; T144-E148 PolarHBondContact O-N 2.93Å
145T97.9Very high97.9Very high16 Ų1678.1 Ų78.110%0.09840%0.403CS..Hα-helixtrans-58.1-45.4175.7-59.90000111.6S105 L139 D142 V147 E148 L149 P156S105-T145 VanDerWaalsContact CB-CG2 3.5Å; L139-T145 HydrophobicContact CB-CG2 4.33Å; D142-T145 PolarHBondContact O-N 3.4Å; D142-T145 WeakPolarHBondContact OD2-CB 3.43Å; D142-T145 PolarHBondContact OD2-N 2.57Å; D142-T145 PolarHBondContact OD2-OG1 2.95Å; T145-V147 PolarHBondContact O-N 3.44Å; T145-E148 PolarHBondContact O-N 2.73Å; T145-L149 HydrophobicContact CG2-CD1 3.87Å; T145-L149 WeakPolarHBondContact O-CB 3.46Å; T145-L149 WeakPolarHBondContact O-CG 3.4Å; T145-L149 PolarHBondContact O-N 3.24Å; T145-P156 HydrophobicContact CG2-CG 4.41Å
146L98.1Very high97.9Very high68 Ų6878.7 Ų78.736%0.35641%0.407SS..Hα-helixtrans-62.8-42.9179.2-72.6170.2000112.3D142 L143 T144 S150 P156D142-L146 WeakPolarHBondContact O-CB 3Å; D142-L146 VanDerWaalsContact O-CG 3.24Å; D142-L146 WeakPolarHBondContact O-CG 3.31Å; D142-L146 PolarHBondContact O-N 3.32Å; L143-L146 PolarHBondContact O-N 3.29Å; T144-L146 VanDerWaalsContact C-N 3.35Å; T144-L146 PolarHBondContact O-N 2.88Å; L146-S150 VanDerWaalsContact O-CB 3.29Å; L146-S150 WeakPolarHBondContact O-CB 3.12Å; L146-S150 PolarHBondContact O-N 3.3Å; L146-P156 HydrophobicContact CD2-CG 3.74Å
147V98.2Very high98Very high79 Ų7976 Ų7648%0.47940%0.396SS..Hα-helixtrans-65.8-45.6177.6169.80000111L143 T144 T145 S150 N151L143-V147 HydrophobicContact CD1-CG2 4.31Å; L143-V147 HydrophobicContact CG-CG2 4.49Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.24Å; L143-V147 PolarHBondContact O-N 2.98Å; T144-V147 PolarHBondContact O-N 2.76Å; T145-V147 PolarHBondContact O-N 3.44Å; V147-S150 WeakPolarHBondContact O-CB 3.44Å; V147-S150 PolarHBondContact O-N 3.36Å; V147-N151 PolarHBondContact O-N 2.98Å; V147-N151 PolarHBondContact O-ND2 3.36Å
148E97.6Very high98Very high119 Ų11976.8 Ų76.856%0.55640%0.401SS*.Hα-helixtrans-60.3-49.4179.5-174.6175.2-178.600111.7T144 T145 S150 N151 H152T144-E148 WeakPolarHBondContact O-CB 3.46Å; T144-E148 PolarHBondContact O-N 2.93Å; T145-E148 PolarHBondContact O-N 2.73Å; E148-S150 VanDerWaalsContact C-N 3.31Å; E148-S150 PolarHBondContact O-N 3.44Å; E148-N151 WeakPolarHBondContact O-CB 3.46Å; E148-N151 PolarHBondContact O-N 2.82Å; E148-H152 PolarHBondContact O-CD2 3.33Å
149L97.7Very high98Very high14 Ų1482 Ų827%0.07342%0.421CS..Hα-helixtrans-64.8-35.6178.2-71170.3000112.5S105 T145 N151 H152 R153 Q154 P156S105-L149 WeakPolarHBondContact O-CD1 3.3Å; T145-L149 HydrophobicContact CG2-CD1 3.87Å; T145-L149 WeakPolarHBondContact O-CB 3.46Å; T145-L149 WeakPolarHBondContact O-CG 3.4Å; T145-L149 PolarHBondContact O-N 3.24Å; L149-N151 VanDerWaalsContact C-N 3.28Å; L149-N151 PolarHBondContact O-N 2.9Å; L149-H152 CarbonylContact O-C 3.41Å; L149-H152 WeakPolarHBondContact O-CA 3.33Å; L149-H152 PolarHBondContact O-N 2.98Å; L149-R153 PolarHBondContact O-N 2.83Å; L149-Q154 CarbonylContact C-O 3.46Å; L149-Q154 VanDerWaalsContact C-O 3.3Å; L149-Q154 HydrophobicContact CB-CB 4.2Å; L149-Q154 HydrophobicContact CD2-CB 4Å; L149-Q154 PolarHBondContact O-N 2.99Å; L149-P156 HydrophobicContact CD1-CB 4.24Å; L149-P156 HydrophobicContact CD1-CG 3.63Å
150S97.3Very high98Very high80 Ų8085.6 Ų85.656%0.55944%0.44SS*.Hα-helixtrans-60.4-37.6176.8-1740000112.2L146 V147 E148 H152 R153L146-S150 VanDerWaalsContact O-CB 3.29Å; L146-S150 WeakPolarHBondContact O-CB 3.12Å; L146-S150 PolarHBondContact O-N 3.3Å; V147-S150 WeakPolarHBondContact O-CB 3.44Å; V147-S150 PolarHBondContact O-N 3.36Å; E148-S150 VanDerWaalsContact C-N 3.31Å; E148-S150 PolarHBondContact O-N 3.44Å; S150-H152 PolarHBondContact O-N 2.86Å; S150-R153 PolarHBondContact O-N 2.95Å
151N97.4Very high98Very high122 Ų12286.9 Ų86.965%0.65245%0.449SS*.Hα-helixtrans-60.2-26.9175-64.9-32.7000112.5V147 E148 L149V147-N151 PolarHBondContact O-N 2.98Å; V147-N151 PolarHBondContact O-ND2 3.36Å; E148-N151 WeakPolarHBondContact O-CB 3.46Å; E148-N151 PolarHBondContact O-N 2.82Å; L149-N151 VanDerWaalsContact C-N 3.28Å; L149-N151 PolarHBondContact O-N 2.9Å
152H96.3Very high98Very high130 Ų13081.4 Ų81.460%0.60242%0.415SS*.THydrogen-bonded Turntrans-98.69.2176.1-64-69.6000113.6E148 L149 S150 Q154E148-H152 PolarHBondContact O-CD2 3.33Å; L149-H152 CarbonylContact O-C 3.41Å; L149-H152 WeakPolarHBondContact O-CA 3.33Å; L149-H152 PolarHBondContact O-N 2.98Å; S150-H152 PolarHBondContact O-N 2.86Å; H152-Q154 HydrophobicContact CB-CG 4.43Å; H152-Q154 PolarHBondContact O-N 2.98Å
153R97.4Very high98.1Very high243 Ų24380 Ų8092%0.91741%0.409SS*.THydrogen-bonded Turntrans56.433.9-174.6-52.9-179.9-178.8-172.4-0.3112.9L149 S150L149-R153 PolarHBondContact O-N 2.83Å; S150-R153 PolarHBondContact O-N 2.95Å
154Q97.8Very high98.1Very high76 Ų7677.7 Ų77.736%0.35540%0.398SS..  trans-114.7167.4177.3-69.3178.8-47.400110.4L149 H152L149-Q154 CarbonylContact C-O 3.46Å; L149-Q154 VanDerWaalsContact C-O 3.3Å; L149-Q154 HydrophobicContact CB-CB 4.2Å; L149-Q154 HydrophobicContact CD2-CB 4Å; L149-Q154 PolarHBondContact O-N 2.99Å; H152-Q154 HydrophobicContact CB-CG 4.43Å; H152-Q154 PolarHBondContact O-N 2.98Å
155T98.1Very high98.1Very high93 Ų9373.7 Ų73.757%0.57137%0.372SS*.  trans-136.8153.4173.953.50000108.4P107P107-T155 VanDerWaalsContact CG-O 3.27Å; P107-T155 WeakPolarHBondContact CG-O 3.41Å
156P98.7Very high98.1Very high13 Ų1373.1 Ų73.18%0.08437%0.369CS..PPolyproline II helixtrans-55.2153172.8-21.930.8000111.1I104 R140 T145 L146 L149 S158I104-P156 HydrophobicContact CG2-CB 4.34Å; I104-P156 WeakPolarHBondContact O-CA 3.45Å; R140-P156 HydrophobicContact CB-CB 4.47Å; R140-P156 HydrophobicContact CG-CB 4.24Å; T145-P156 HydrophobicContact CG2-CG 4.41Å; L146-P156 HydrophobicContact CD2-CG 3.74Å; L149-P156 HydrophobicContact CD1-CB 4.24Å; L149-P156 HydrophobicContact CD1-CG 3.63Å; P156-S158 PolarHBondContact O-N 2.89Å
157V98.8Very high98.1Very high1 Ų176.4 Ų76.41%0.00638%0.38CS..PPolyproline II helixtrans-61.6122.3179.3178.20000109.7F102 I104 P107 L110 R140 Q161F102-V157 HydrophobicContact CD2-CG2 4.47Å; F102-V157 HydrophobicContact CE2-CB 4.01Å; F102-V157 HydrophobicContact CE2-CG1 3.73Å; F102-V157 HydrophobicContact CE2-CG2 4.09Å; F102-V157 HydrophobicContact CZ-CG1 4.12Å; I104-V157 PolarHBondContact O-N 3.08Å; P107-V157 HydrophobicContact CB-CG2 4.33Å; P107-V157 HydrophobicContact CG-CG2 4.41Å; L110-V157 HydrophobicContact CB-CG2 4.27Å; L110-V157 HydrophobicContact CD2-CG1 3.78Å; L110-V157 HydrophobicContact CD2-CG2 4.21Å; R140-V157 PolarHBondContact NE-O 3.07Å; R140-V157 PolarHBondContact NH2-O 3.21Å; V157-Q161 HydrophobicContact CG1-CB 3.91Å
158S98.8Very high98.1Very high45 Ų4578.2 Ų78.232%0.31538%0.384SS..PPolyproline II helixtrans-75.9158173.5790000111.3P156 D160 Q161 G162P156-S158 PolarHBondContact O-N 2.89Å; S158-D160 PolarHBondContact O-N 2.71Å; S158-Q161 PolarHBondContact O-N 2.81Å; S158-Q161 VanDerWaalsContact O-N 3.14Å; S158-Q161 WeakPolarHBondContact OG-CG 3.34Å; S158-Q161 PolarHBondContact OG-N 2.7Å; S158-G162 PolarHBondContact O-N 3.29Å; S158-G162 VanDerWaalsContact O-N 3.12Å
159Y98.7Very high98Very high126 Ų12672.8 Ų72.849%0.49436%0.358SS..Hα-helixtrans-56.5-39.3175-174.1-90.4000111.8Q161 G162 S163 Y173 E175Y159-Q161 PolarHBondContact O-N 3.37Å; Y159-G162 PolarHBondContact O-N 3.26Å; Y159-S163 VanDerWaalsContact O-CB 3.28Å; Y159-S163 WeakPolarHBondContact O-CB 3.39Å; Y159-S163 PolarHBondContact O-N 2.88Å; Y159-Y173 HydrophobicContact CD2-CD1 4.25Å; Y159-Y173 AromaticContact CD2-CE1 3.69Å; Y159-Y173 HydrophobicContact CD2-CE1 3.69Å; Y159-Y173 AromaticContact CE2-CD1 3.86Å; Y159-Y173 HydrophobicContact CE2-CD1 3.86Å; Y159-Y173 AromaticContact CE2-CE1 3.75Å; Y159-Y173 HydrophobicContact CE2-CE1 3.75Å; Y159-Y173 HydrophobicContact CG-CE1 4.19Å; Y159-E175 HydrophobicContact CD2-CG 4.26Å; Y159-E175 WeakPolarHBondContact CD2-OE1 3.49Å
160D98.7Very high97.9Very high111 Ų11177.3 Ų77.359%0.59439%0.391SS*.Hα-helixtrans-65.5-38.5178.4-70.6-29.5000112.5S158 S163 N164S158-D160 PolarHBondContact O-N 2.71Å; D160-S163 PolarHBondContact O-N 3.31Å; D160-N164 VanDerWaalsContact O-CB 3.23Å; D160-N164 WeakPolarHBondContact O-CB 3.34Å; D160-N164 PolarHBondContact O-N 3.48Å; D160-N164 PolarHBondContact O-ND2 3.48Å
161Q98.7Very high97.9Very high91 Ų9174.2 Ų74.243%0.42537%0.371SS..Hα-helixtrans-62.8-46.5174.8-74.4172.5-4300111L110 V157 S158 Y159 N164 M165L110-Q161 HydrophobicContact CD2-CB 4.32Å; V157-Q161 HydrophobicContact CG1-CB 3.91Å; S158-Q161 PolarHBondContact O-N 2.81Å; S158-Q161 VanDerWaalsContact O-N 3.14Å; S158-Q161 WeakPolarHBondContact OG-CG 3.34Å; S158-Q161 PolarHBondContact OG-N 2.7Å; Y159-Q161 PolarHBondContact O-N 3.37Å; Q161-N164 PolarHBondContact O-N 2.95Å; Q161-M165 WeakPolarHBondContact O-CB 3.26Å; Q161-M165 PolarHBondContact O-N 2.86Å
162G98.7Very high97.9Very high0 Ų071.9 Ų71.90%036%0.362CS..Hα-helixtrans-62.8-44.3175.500000112.9S158 Y159 N164 M165 A166S158-G162 PolarHBondContact O-N 3.29Å; S158-G162 VanDerWaalsContact O-N 3.12Å; Y159-G162 PolarHBondContact O-N 3.26Å; G162-N164 PolarHBondContact O-N 3.42Å; G162-M165 WeakPolarHBondContact O-CB 3.17Å; G162-M165 PolarHBondContact O-N 3.39Å; G162-A166 WeakPolarHBondContact O-CB 3.48Å; G162-A166 PolarHBondContact O-N 2.88Å
163S98.6Very high98Very high26 Ų2667 Ų6718%0.18234%0.338CS..Hα-helixtrans-62.6-42.3176.6-177.80000112.4Y159 D160 A166 K167Y159-S163 VanDerWaalsContact O-CB 3.28Å; Y159-S163 WeakPolarHBondContact O-CB 3.39Å; Y159-S163 PolarHBondContact O-N 2.88Å; D160-S163 PolarHBondContact O-N 3.31Å; S163-A166 PolarHBondContact O-N 3.48Å; S163-K167 WeakPolarHBondContact O-CG 3.47Å; S163-K167 PolarHBondContact O-N 3.12Å
164N98.6Very high98Very high79 Ų7956.9 Ų56.942%0.42230%0.302SS..Hα-helixtrans-66.5-39.6176.2-71.8-27.7000111.8D160 Q161 G162 K167 Q168D160-N164 VanDerWaalsContact O-CB 3.23Å; D160-N164 WeakPolarHBondContact O-CB 3.34Å; D160-N164 PolarHBondContact O-N 3.48Å; D160-N164 PolarHBondContact O-ND2 3.48Å; Q161-N164 PolarHBondContact O-N 2.95Å; G162-N164 PolarHBondContact O-N 3.42Å; N164-K167 PolarHBondContact O-N 2.73Å; N164-Q168 WeakPolarHBondContact O-CG 3.36Å; N164-Q168 PolarHBondContact O-N 3Å
165M98.7Very high98.1Very high16 Ų1654.8 Ų54.88%0.07929%0.293CS..Hα-helixtrans-59.5-46.4172.1-179.857.476.300111.4L110 V113 L114 L132 Q161 G162 K167 Q168 I169L110-M165 HydrophobicContact CD1-CB 3.87Å; L110-M165 HydrophobicContact CD1-CE 4.38Å; L110-M165 HydrophobicContact CD1-CG 3.68Å; L110-M165 HydrophobicContact CG-CB 4.42Å; L110-M165 HydrophobicContact CG-CE 3.97Å; L110-M165 HydrophobicContact CG-CG 4.28Å; V113-M165 HydrophobicContact CB-CG 4.48Å; V113-M165 HydrophobicContact CG1-CG 4.18Å; V113-M165 HydrophobicContact CG1-SD 4.33Å; L114-M165 HydrophobicContact CD1-CE 3.58Å; L114-M165 HydrophobicContact CD1-SD 3.58Å; L114-M165 VanDerWaalsContact CD1-SD 3.58Å; L114-M165 HydrophobicContact CD2-SD 3.92Å; L114-M165 HydrophobicContact CG-CE 3.81Å; L114-M165 HydrophobicContact CG-SD 3.39Å; L114-M165 WeakPolarHBondContact CG-SD 3.45Å; L132-M165 HydrophobicContact CD2-CB 3.97Å; L132-M165 HydrophobicContact CD2-CG 3.75Å; Q161-M165 WeakPolarHBondContact O-CB 3.26Å; Q161-M165 PolarHBondContact O-N 2.86Å; G162-M165 WeakPolarHBondContact O-CB 3.17Å; G162-M165 PolarHBondContact O-N 3.39Å; M165-K167 VanDerWaalsContact C-N 3.32Å; M165-K167 PolarHBondContact O-N 3.42Å; M165-Q168 WeakPolarHBondContact O-CB 3.29Å; M165-Q168 PolarHBondContact O-N 3.25Å; M165-I169 WeakPolarHBondContact O-CG2 3.25Å; M165-I169 PolarHBondContact O-N 3.42Å; M165-I169 HydrophobicContact SD-CG2 4.19Å
166A98.3Very high98.1Very high3 Ų350.4 Ų50.43%0.02527%0.265CS..Hα-helixtrans-63.8-35178.900000113L132 G162 S163 I169 S170 A171 Y173L132-A166 HydrophobicContact CB-CB 4.14Å; L132-A166 HydrophobicContact CD2-CB 3.79Å; G162-A166 WeakPolarHBondContact O-CB 3.48Å; G162-A166 PolarHBondContact O-N 2.88Å; S163-A166 PolarHBondContact O-N 3.48Å; A166-I169 CarbonylContact O-C 3.58Å; A166-I169 WeakPolarHBondContact O-CA 3.43Å; A166-I169 PolarHBondContact O-N 3Å; A166-S170 PolarHBondContact O-N 3.24Å; A166-A171 CarbonylContact C-O 3.52Å; A166-A171 WeakPolarHBondContact CB-O 3.24Å; A166-A171 PolarHBondContact O-N 3.21Å; A166-A171 VanDerWaalsContact O-O 3.08Å; A166-Y173 HydrophobicContact CB-CG 4.4Å
167K98.1Very high98.1Very high137 Ų13750 Ų5060%0.59626%0.263SS*.Hα-helixtrans-64.4-45.4171.8-71.7170.9-169.3165.10111.9S163 N164 M165 I169 S170S163-K167 WeakPolarHBondContact O-CG 3.47Å; S163-K167 PolarHBondContact O-N 3.12Å; N164-K167 PolarHBondContact O-N 2.73Å; M165-K167 VanDerWaalsContact C-N 3.32Å; M165-K167 PolarHBondContact O-N 3.42Å; K167-I169 PolarHBondContact O-N 3.47Å; K167-S170 PolarHBondContact O-N 3.03Å; K167-S170 VanDerWaalsContact O-N 3.11Å
168Q97.3Very high98Very high117 Ų11750.4 Ų50.455%0.54727%0.266SS..Hα-helixtrans-57.8-46.5174.8-69176.75.200109.7R118 N164 M165 S170R118-Q168 PolarHBondContact NH1-O 2.97Å; N164-Q168 WeakPolarHBondContact O-CG 3.36Å; N164-Q168 PolarHBondContact O-N 3Å; M165-Q168 WeakPolarHBondContact O-CB 3.29Å; M165-Q168 PolarHBondContact O-N 3.25Å; Q168-S170 VanDerWaalsContact C-N 3.3Å; Q168-S170 PolarHBondContact O-N 2.97Å
169I96.5Very high97.9Very high5 Ų553.4 Ų53.43%0.02628%0.278CS..Hα-helixtrans-33.7-40.5161.1121.5-180000120.7I100 V113 L114 R118 I130 L132 M165 A166 K167 A171I100-I169 HydrophobicContact CD1-CD1 4.02Å; V113-I169 HydrophobicContact CG1-CD1 3.74Å; V113-I169 HydrophobicContact CG1-CG2 4.3Å; L114-I169 HydrophobicContact CD2-CG2 3.52Å; L114-I169 HydrophobicContact CG-CG2 4.49Å; R118-I169 VanDerWaalsContact NH1-CB 3.26Å; R118-I169 PolarHBondContact NH2-O 3.1Å; I130-I169 HydrophobicContact CG2-CD1 4.12Å; L132-I169 HydrophobicContact CD1-CD1 4.34Å; M165-I169 WeakPolarHBondContact O-CG2 3.25Å; M165-I169 PolarHBondContact O-N 3.42Å; M165-I169 HydrophobicContact SD-CG2 4.19Å; A166-I169 CarbonylContact O-C 3.58Å; A166-I169 WeakPolarHBondContact O-CA 3.43Å; A166-I169 PolarHBondContact O-N 3Å; K167-I169 PolarHBondContact O-N 3.47Å; I169-A171 HydrophobicContact CD1-CB 4.28Å; I169-A171 HydrophobicContact CG1-CB 3.7Å
170S95.6Very high97.7Very high110 Ų11054.2 Ų54.277%0.76929%0.286SS*.THydrogen-bonded Turntrans52.838.3-153.5-57.80000113.9A166 K167 Q168A166-S170 PolarHBondContact O-N 3.24Å; K167-S170 PolarHBondContact O-N 3.03Å; K167-S170 VanDerWaalsContact O-N 3.11Å; Q168-S170 VanDerWaalsContact C-N 3.3Å; Q168-S170 PolarHBondContact O-N 2.97Å
171A96.4Very high97.5Very high15 Ų1551.1 Ų51.112%0.12427%0.273CS..SBendtrans-123.5155.4178.300000111.5I130 A166 I169I130-A171 HydrophobicContact CB-CB 4.2Å; I130-A171 HydrophobicContact CG2-CB 3.95Å; I130-A171 WeakPolarHBondContact O-CB 3.39Å; A166-A171 CarbonylContact C-O 3.52Å; A166-A171 WeakPolarHBondContact CB-O 3.24Å; A166-A171 PolarHBondContact O-N 3.21Å; A166-A171 VanDerWaalsContact O-O 3.08Å; I169-A171 HydrophobicContact CD1-CB 4.28Å; I169-A171 HydrophobicContact CG1-CB 3.7Å
172P96.8Very high97.3Very high72 Ų7252.3 Ų52.347%0.46828%0.279SS..  trans-69.3159.2164.9-0.117.1000110.4I130 L131 L132I130-P172 WeakPolarHBondContact O-CD 3.34Å; L131-P172 HydrophobicContact CD1-CB 3.55Å; L131-P172 HydrophobicContact CD1-CG 3.71Å; L132-P172 PolarHBondContact N-O 3.14Å
173Y98.5Very high97.1Very high27 Ų2757.8 Ų57.811%0.10631%0.308CS..EExtended strand (participates in β ladder)trans-120.9136.1177.4-178.3-130.1000110.4F102 L132 Y159 A166 E175F102-Y173 AromaticContact CE1-CE2 3.66Å; F102-Y173 HydrophobicContact CE1-CE2 3.66Å; F102-Y173 AromaticContact CZ-CE2 3.74Å; F102-Y173 HydrophobicContact CZ-CE2 3.74Å; F102-Y173 WeakPolarHBondContact CZ-OH 3.25Å; L132-Y173 HydrophobicContact CB-CD2 4.24Å; L132-Y173 HydrophobicContact CD2-CD2 3.99Å; L132-Y173 HydrophobicContact CD2-CE2 4.43Å; L132-Y173 HydrophobicContact CG-CD2 4.03Å; L132-Y173 HydrophobicContact CG-CE2 4.48Å; L132-Y173 WeakPolarHBondContact O-CA 3.47Å; Y159-Y173 HydrophobicContact CD2-CD1 4.25Å; Y159-Y173 AromaticContact CD2-CE1 3.69Å; Y159-Y173 HydrophobicContact CD2-CE1 3.69Å; Y159-Y173 AromaticContact CE2-CD1 3.86Å; Y159-Y173 HydrophobicContact CE2-CD1 3.86Å; Y159-Y173 AromaticContact CE2-CE1 3.75Å; Y159-Y173 HydrophobicContact CE2-CE1 3.75Å; Y159-Y173 HydrophobicContact CG-CE1 4.19Å; A166-Y173 HydrophobicContact CB-CG 4.4Å; Y173-E175 HydrophobicContact CE1-CG 3.78Å; Y173-E175 WeakPolarHBondContact CE1-OE1 3.4Å; Y173-E175 HydrophobicContact CE2-CG 4.14Å; Y173-E175 VanDerWaalsContact CZ-CG 3.42Å; Y173-E175 WeakPolarHBondContact OH-CG 3.39Å; Y173-E175 PolarHBondContact OH-OE1 3.17Å
174I98.5Very high97Very high31 Ų3157.5 Ų57.516%0.15931%0.306CS..EExtended strand (participates in β ladder)trans-143.7148.5170.7-172152.9000109.9L131 L132 V133 G134 L188 V191L131-I174 HydrophobicContact CD1-CG2 4.31Å; L131-I174 HydrophobicContact CD2-CG2 3.92Å; L131-I174 HydrophobicContact CG-CG2 4.15Å; L132-I174 PolarHBondContact O-N 3.49Å; L132-I174 VanDerWaalsContact O-N 3.09Å; V133-I174 WeakPolarHBondContact CA-O 3.4Å; V133-I174 HydrophobicContact CG2-CG2 4.22Å; G134-I174 PolarHBondContact N-O 3.14Å; I174-L188 HydrophobicContact CD1-CB 4.25Å; I174-L188 HydrophobicContact CG2-CB 4.32Å; I174-L188 HydrophobicContact CG2-CD1 4.03Å; I174-L188 HydrophobicContact CG2-CG 3.86Å; I174-V191 HydrophobicContact CD1-CG2 4.14Å
175E98.6Very high97Very high33 Ų3353.8 Ų53.815%0.15429%0.286CS..EExtended strand (participates in β ladder)trans-113149.9175.2-62.8-173.1177.800110.5I104 G134 R140 Y159 Y173I104-E175 HydrophobicContact CD1-CB 4.31Å; I104-E175 HydrophobicContact CD1-CG 4.04Å; G134-E175 CarbonylContact O-C 3.5Å; G134-E175 VanDerWaalsContact O-CA 3.25Å; G134-E175 WeakPolarHBondContact O-CA 3.28Å; R140-E175 IonicContact CZ-OE1 3.92Å; R140-E175 IonicContact CZ-OE2 3.54Å; R140-E175 VanDerWaalsContact CZ-OE2 3.28Å; R140-E175 IonicContact NH1-OE1 3.03Å; R140-E175 IonicContact NH1-OE2 3.29Å; R140-E175 PolarHBondContact NH1-OE2 3.27Å; R140-E175 IonicContact NH2-OE1 3.55Å; R140-E175 PolarHBondContact NH2-OE1 2.98Å; R140-E175 IonicContact NH2-OE2 2.89Å; R140-E175 PolarHBondContact NH2-OE2 3.34Å; Y159-E175 HydrophobicContact CD2-CG 4.26Å; Y159-E175 WeakPolarHBondContact CD2-OE1 3.49Å; Y173-E175 HydrophobicContact CE1-CG 3.78Å; Y173-E175 WeakPolarHBondContact CE1-OE1 3.4Å; Y173-E175 HydrophobicContact CE2-CG 4.14Å; Y173-E175 VanDerWaalsContact CZ-CG 3.42Å; Y173-E175 WeakPolarHBondContact OH-CG 3.39Å; Y173-E175 PolarHBondContact OH-OE1 3.17Å
176C98.3Very high96.8Very high0 Ų060.3 Ų60.30%031%0.31CS..EExtended strand (participates in β ladder)trans-144.9154.1173.563.50000111.7G134 C135 K136 S137 S184 V185 L188G134-C176 PolarHBondContact O-N 2.83Å; C135-C176 CarbonylContact C-O 3.58Å; K136-C176 PolarHBondContact N-O 3.12Å; S137-C176 PolarHBondContact N-O 3.48Å; S137-C176 PolarHBondContact OG-O 2.81Å; C176-S184 WeakPolarHBondContact CA-OG 3.49Å; C176-S184 WeakPolarHBondContact CB-OG 3.44Å; C176-V185 HydrophobicContact CB-CG2 4.45Å; C176-L188 HydrophobicContact CB-CD1 4.21Å
177S98.3Very high96.7Very high4 Ų464.7 Ų64.73%0.02833%0.333CS..  trans-118.1101.8163.11770000108.4S137 D138 L179 Q180 S181 S184S137-S177 PolarHBondContact OG-N 2.85Å; D138-S177 VanDerWaalsContact OD1-CB 3.24Å; D138-S177 WeakPolarHBondContact OD1-CB 3.48Å; D138-S177 PolarHBondContact OD1-OG 3.32Å; S177-L179 PolarHBondContact O-N 3.44Å; S177-L179 PolarHBondContact OG-N 2.99Å; S177-Q180 PolarHBondContact O-N 3.43Å; S177-Q180 WeakPolarHBondContact OG-CB 3.27Å; S177-Q180 PolarHBondContact OG-N 3.21Å; S177-S181 CarbonylContact O-C 3.55Å; S177-S181 PolarHBondContact O-N 3.32Å; S177-S181 VanDerWaalsContact O-O 3.06Å; S177-S184 PolarHBondContact N-OG 3.11Å; S177-S184 PolarHBondContact O-OG 3.02Å
178S97.6Very high96.6Very high11 Ų1158.1 Ų58.18%0.07731%0.305CS..THydrogen-bonded Turntrans-62.8-21.3173.3-44.70000112.2L39 F48L39-S178 WeakPolarHBondContact CA-OG 3.29Å; L39-S178 PolarHBondContact N-OG 3.47Å; F48-S178 WeakPolarHBondContact CD2-O 3.35Å
179L96.6Very high96.6Very high108 Ų10852.6 Ų52.657%0.56528%0.278SS*.THydrogen-bonded Turntrans-82.9-44-179.7-178.962.1000112.3F48 S177F48-L179 HydrophobicContact CD1-CD1 4.27Å; F48-L179 HydrophobicContact CD2-CB 4.41Å; F48-L179 HydrophobicContact CD2-CD1 4.32Å; F48-L179 HydrophobicContact CE1-CD1 4.18Å; F48-L179 HydrophobicContact CE2-CB 3.97Å; F48-L179 HydrophobicContact CE2-CD1 4.21Å; F48-L179 HydrophobicContact CG-CD1 4.34Å; F48-L179 HydrophobicContact CZ-CB 4.42Å; F48-L179 HydrophobicContact CZ-CD1 4.15Å; S177-L179 PolarHBondContact O-N 3.44Å; S177-L179 PolarHBondContact OG-N 2.99Å
180Q95.3Very high96.5Very high143 Ų14355.8 Ų55.867%0.66829%0.293SS*.THydrogen-bonded Turntrans-103.4-18.5-171.5-63.9-170.5-14.400114.1D138 S177D138-Q180 HydrophobicContact CB-CB 4.46Å; D138-Q180 HydrophobicContact CB-CG 3.75Å; D138-Q180 VanDerWaalsContact CB-OE1 3.25Å; S177-Q180 PolarHBondContact O-N 3.43Å; S177-Q180 WeakPolarHBondContact OG-CB 3.27Å; S177-Q180 PolarHBondContact OG-N 3.21Å
181S94.8Very high96.4Very high45 Ų4553.1 Ų53.132%0.31527%0.272SS..  trans-14995.9-171.8-177.70000113.1S177 N183 S184 V185S177-S181 CarbonylContact O-C 3.55Å; S177-S181 PolarHBondContact O-N 3.32Å; S177-S181 VanDerWaalsContact O-O 3.06Å; S181-N183 PolarHBondContact O-N 3.3Å; S181-S184 PolarHBondContact O-N 3.5Å; S181-S184 VanDerWaalsContact O-N 3.11Å; S181-S184 PolarHBondContact O-OG 3.01Å; S181-S184 PolarHBondContact OG-N 2.96Å; S181-S184 VanDerWaalsContact OG-N 3.16Å; S181-V185 PolarHBondContact O-N 3.04Å
182E93.5Very high96.3Very high117 Ų11752.5 Ų52.555%0.54727%0.267SS..Hα-helixtrans-57-35.2169-64.4-18017700111.9V42 S184 V185 R186V42-E182 HydrophobicContact CG1-CG 4.05Å; E182-S184 VanDerWaalsContact C-N 3.31Å; E182-S184 PolarHBondContact O-N 2.91Å; E182-V185 WeakPolarHBondContact O-CB 3.42Å; E182-V185 PolarHBondContact O-N 3.18Å; E182-V185 VanDerWaalsContact O-N 3.12Å; E182-R186 PolarHBondContact O-N 3.35Å
183N95.1Very high96.2Very high114 Ų11449 Ų4961%0.6125%0.245SC*.Hα-helixtrans-60.1-40.9176.2-70.9-25.9000111.8S181 V185 R186 D187S181-N183 PolarHBondContact O-N 3.3Å; N183-V185 VanDerWaalsContact C-N 3.26Å; N183-V185 PolarHBondContact O-N 2.85Å; N183-R186 PolarHBondContact O-N 2.87Å; N183-D187 WeakPolarHBondContact O-CB 3.4Å; N183-D187 VanDerWaalsContact O-CG 3.28Å; N183-D187 PolarHBondContact O-N 3.38Å
184S96.9Very high95.9Very high21 Ų2150.2 Ų50.215%0.14725%0.252CS..Hα-helixtrans-63.2-34177.174.70000112.7C176 S177 S181 E182 L188C176-S184 WeakPolarHBondContact CA-OG 3.49Å; C176-S184 WeakPolarHBondContact CB-OG 3.44Å; S177-S184 PolarHBondContact N-OG 3.11Å; S177-S184 PolarHBondContact O-OG 3.02Å; S181-S184 PolarHBondContact O-N 3.5Å; S181-S184 VanDerWaalsContact O-N 3.11Å; S181-S184 PolarHBondContact O-OG 3.01Å; S181-S184 PolarHBondContact OG-N 2.96Å; S181-S184 VanDerWaalsContact OG-N 3.16Å; E182-S184 VanDerWaalsContact C-N 3.31Å; E182-S184 PolarHBondContact O-N 2.91Å; S184-L188 WeakPolarHBondContact O-CB 3.44Å; S184-L188 PolarHBondContact O-N 3.28Å
185V97.3Very high95.5Very high1 Ų150.5 Ų50.51%0.00626%0.259CS..Hα-helixtrans-69.8-45174.5172.10000110.5L39 V42 F43 C176 S181 E182 N183 D187 L188 F189L39-V185 HydrophobicContact CD1-CB 4.19Å; L39-V185 HydrophobicContact CD1-CG1 3.7Å; L39-V185 HydrophobicContact CD1-CG2 3.86Å; V42-V185 HydrophobicContact CG1-CB 4.32Å; V42-V185 HydrophobicContact CG1-CG1 4.27Å; V42-V185 HydrophobicContact CG1-CG2 4.12Å; F43-V185 HydrophobicContact CB-CG1 3.64Å; F43-V185 HydrophobicContact CD2-CG1 4.35Å; F43-V185 HydrophobicContact CG-CG1 4.41Å; C176-V185 HydrophobicContact CB-CG2 4.45Å; S181-V185 PolarHBondContact O-N 3.04Å; E182-V185 WeakPolarHBondContact O-CB 3.42Å; E182-V185 PolarHBondContact O-N 3.18Å; E182-V185 VanDerWaalsContact O-N 3.12Å; N183-V185 VanDerWaalsContact C-N 3.26Å; N183-V185 PolarHBondContact O-N 2.85Å; V185-D187 PolarHBondContact O-N 3.29Å; V185-L188 WeakPolarHBondContact O-CB 3.49Å; V185-L188 PolarHBondContact O-N 3.41Å; V185-F189 HydrophobicContact CG1-CD2 4.02Å; V185-F189 HydrophobicContact CG1-CE2 4.07Å; V185-F189 WeakPolarHBondContact O-CD2 3.42Å; V185-F189 PolarHBondContact O-N 3.33Å; V185-F189 VanDerWaalsContact O-N 3.1Å
186R95.4Very high95Very high153 Ų15349.4 Ų49.458%0.57726%0.255SS*.Hα-helixtrans-60.5-44.1177.2-170.3-175.6171.7122.9-0.6111.9F64 E182 N183 L188 F189 H190F64-R186 HydrophobicContact CE2-CG 3.91Å; F64-R186 HydrophobicContact CZ-CG 4.27Å; E182-R186 PolarHBondContact O-N 3.35Å; N183-R186 PolarHBondContact O-N 2.87Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.03Å; R186-F189 PolarHBondContact O-N 3.13Å; R186-H190 WeakPolarHBondContact O-CB 3.22Å; R186-H190 PolarHBondContact O-N 3.27Å
187D95.6Very high94.4Very high94 Ų9451.2 Ų51.250%0.50327%0.266SS..Hα-helixtrans-62.9-39.5177.9-71.6-17.6000111.7N183 V185 H190 V191N183-D187 WeakPolarHBondContact O-CB 3.4Å; N183-D187 VanDerWaalsContact O-CG 3.28Å; N183-D187 PolarHBondContact O-N 3.38Å; V185-D187 PolarHBondContact O-N 3.29Å; D187-H190 WeakPolarHBondContact O-CB 3.15Å; D187-H190 PolarHBondContact O-N 3.07Å; D187-V191 WeakPolarHBondContact O-CG2 3.35Å; D187-V191 PolarHBondContact O-N 3.35Å
188L96.9Very high93.3Very high0 Ų056.4 Ų56.40%029%0.293CS..Hα-helixtrans-59.3-49.8173.8177.9162.4000111.8L39 L99 V133 I174 C176 S184 V185 R186 H190 V191 A192L39-L188 HydrophobicContact CD1-CD1 3.99Å; L39-L188 HydrophobicContact CD1-CD2 4.44Å; L39-L188 HydrophobicContact CD2-CD1 4.07Å; L39-L188 HydrophobicContact CD2-CD2 4.35Å; L99-L188 HydrophobicContact CD1-CD2 3.85Å; V133-L188 HydrophobicContact CB-CD1 4.21Å; V133-L188 HydrophobicContact CG1-CD1 3.38Å; V133-L188 HydrophobicContact CG2-CD1 3.76Å; V133-L188 HydrophobicContact CG2-CG 4.3Å; I174-L188 HydrophobicContact CD1-CB 4.25Å; I174-L188 HydrophobicContact CG2-CB 4.32Å; I174-L188 HydrophobicContact CG2-CD1 4.03Å; I174-L188 HydrophobicContact CG2-CG 3.86Å; C176-L188 HydrophobicContact CB-CD1 4.21Å; S184-L188 WeakPolarHBondContact O-CB 3.44Å; S184-L188 PolarHBondContact O-N 3.28Å; V185-L188 WeakPolarHBondContact O-CB 3.49Å; V185-L188 PolarHBondContact O-N 3.41Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.03Å; L188-H190 VanDerWaalsContact C-N 3.29Å; L188-H190 PolarHBondContact O-N 2.93Å; L188-V191 PolarHBondContact O-N 3.24Å; L188-A192 WeakPolarHBondContact O-CB 3.46Å; L188-A192 PolarHBondContact O-N 3.09Å
189F95.9Very high91.4Very high0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-70.2-26.8178.4-79.1-76.3000112.7I26 L39 L40 F43 L73 L75 L99 V185 R186 T193I26-F189 HydrophobicContact CD1-CD1 4.34Å; L39-F189 HydrophobicContact CD1-CE2 3.91Å; L39-F189 HydrophobicContact CG-CE2 3.95Å; L39-F189 HydrophobicContact CG-CZ 4.26Å; L40-F189 HydrophobicContact CD2-CE1 4.34Å; L40-F189 HydrophobicContact CD2-CZ 3.8Å; F43-F189 HydrophobicContact CB-CD2 3.64Å; F43-F189 HydrophobicContact CB-CE2 3.45Å; F43-F189 VanDerWaalsContact CB-CE2 3.45Å; F43-F189 HydrophobicContact CB-CZ 4.27Å; F43-F189 HydrophobicContact CD1-CB 4.47Å; F43-F189 AromaticContact CD1-CD1 3.91Å; F43-F189 HydrophobicContact CD1-CD1 3.91Å; F43-F189 AromaticContact CD1-CD2 3.62Å; F43-F189 HydrophobicContact CD1-CD2 3.62Å; F43-F189 HydrophobicContact CD1-CE1 4.04Å; F43-F189 AromaticContact CD1-CE2 3.75Å; F43-F189 HydrophobicContact CD1-CE2 3.75Å; F43-F189 AromaticContact CD1-CG 3.72Å; F43-F189 HydrophobicContact CD1-CG 3.72Å; F43-F189 AromaticContact CD1-CZ 3.98Å; F43-F189 HydrophobicContact CD1-CZ 3.98Å; F43-F189 HydrophobicContact CD2-CB 3.84Å; F43-F189 AromaticContact CD2-CD2 3.32Å; F43-F189 HydrophobicContact CD2-CD2 3.32Å; F43-F189 HydrophobicContact CD2-CE2 4.06Å; F43-F189 AromaticContact CD2-CG 3.68Å; F43-F189 HydrophobicContact CD2-CG 3.68Å; F43-F189 HydrophobicContact CE1-CB 4.07Å; F43-F189 AromaticContact CE1-CD1 3.75Å; F43-F189 HydrophobicContact CE1-CD1 3.75Å; F43-F189 HydrophobicContact CE1-CD2 4.06Å; F43-F189 HydrophobicContact CE1-CE1 4.24Å; F43-F189 AromaticContact CE1-CG 3.67Å; F43-F189 HydrophobicContact CE1-CG 3.67Å; F43-F189 HydrophobicContact CE2-CB 3.37Å; F43-F189 AromaticContact CE2-CD2 3.81Å; F43-F189 HydrophobicContact CE2-CD2 3.81Å; F43-F189 AromaticContact CE2-CG 3.65Å; F43-F189 HydrophobicContact CE2-CG 3.65Å; F43-F189 HydrophobicContact CG-CB 4.36Å; F43-F189 HydrophobicContact CG-CD1 4.35Å; F43-F189 AromaticContact CG-CD2 3.21Å; F43-F189 HydrophobicContact CG-CD2 3.21Å; F43-F189 AromaticContact CG-CE2 3.47Å; F43-F189 HydrophobicContact CG-CE2 3.47Å; F43-F189 VanDerWaalsContact CG-CE2 3.47Å; F43-F189 AromaticContact CG-CG 3.72Å; F43-F189 HydrophobicContact CG-CG 3.72Å; F43-F189 HydrophobicContact CG-CZ 4.18Å; F43-F189 HydrophobicContact CZ-CB 3.51Å; F43-F189 HydrophobicContact CZ-CD1 4.08Å; F43-F189 HydrophobicContact CZ-CD2 4.15Å; F43-F189 AromaticContact CZ-CG 3.64Å; F43-F189 HydrophobicContact CZ-CG 3.64Å; L73-F189 HydrophobicContact CD1-CD1 4.45Å; L75-F189 HydrophobicContact CD1-CE1 4.38Å; L75-F189 HydrophobicContact CD2-CD1 4.3Å; L75-F189 HydrophobicContact CD2-CE1 3.77Å; L99-F189 HydrophobicContact CD1-CE1 4.05Å; L99-F189 HydrophobicContact CD1-CZ 4.2Å; V185-F189 HydrophobicContact CG1-CD2 4.02Å; V185-F189 HydrophobicContact CG1-CE2 4.07Å; V185-F189 WeakPolarHBondContact O-CD2 3.42Å; V185-F189 PolarHBondContact O-N 3.33Å; V185-F189 VanDerWaalsContact O-N 3.1Å; R186-F189 PolarHBondContact O-N 3.13Å; F189-T193 WeakPolarHBondContact O-CB 3.27Å; F189-T193 PolarHBondContact O-N 3.24Å; F189-T193 PolarHBondContact O-OG1 3.21Å
190H94.6Very high89.1Confident73 Ų7361.8 Ų61.834%0.33833%0.328SS..Hα-helixtrans-60.4-52.3168.7-174.979.3000111.1F64 R186 D187 L188 A192 T193 L194F64-H190 HydrophobicContact CE1-CB 3.84Å; F64-H190 AromaticContact CE1-ND1 3.56Å; F64-H190 HydrophobicContact CZ-CB 3.7Å; F64-H190 AromaticContact CZ-ND1 3.99Å; R186-H190 WeakPolarHBondContact O-CB 3.22Å; R186-H190 PolarHBondContact O-N 3.27Å; D187-H190 WeakPolarHBondContact O-CB 3.15Å; D187-H190 PolarHBondContact O-N 3.07Å; L188-H190 VanDerWaalsContact C-N 3.29Å; L188-H190 PolarHBondContact O-N 2.93Å; H190-A192 PolarHBondContact O-N 3.36Å; H190-T193 PolarHBondContact O-N 3.09Å; H190-L194 WeakPolarHBondContact NE2-CD1 3.35Å; H190-L194 WeakPolarHBondContact O-CG 3.39Å; H190-L194 PolarHBondContact O-N 3.38Å
191V94.3Very high86.3Confident54 Ų5462.5 Ų62.533%0.32734%0.337SS..Hα-helixtrans-61.1-45178.21730000111.5L131 I174 D187 L188 T193 L194 A195L131-V191 HydrophobicContact CD1-CG1 4.2Å; L131-V191 HydrophobicContact CD2-CG1 4.29Å; I174-V191 HydrophobicContact CD1-CG2 4.14Å; D187-V191 WeakPolarHBondContact O-CG2 3.35Å; D187-V191 PolarHBondContact O-N 3.35Å; L188-V191 PolarHBondContact O-N 3.24Å; V191-T193 VanDerWaalsContact C-N 3.35Å; V191-T193 PolarHBondContact O-N 3.29Å; V191-L194 PolarHBondContact O-N 2.65Å; V191-A195 PolarHBondContact O-N 3.18Å
192A94.7Very high83.8Confident1 Ų169.3 Ų69.31%0.00836%0.361CS..Hα-helixtrans-61.2-44.1177.900000111.7I26 L99 L131 L188 H190 A195 C196I26-A192 HydrophobicContact CD1-CB 4.12Å; L99-A192 HydrophobicContact CD2-CB 4.01Å; L131-A192 HydrophobicContact CD2-CB 4.1Å; L188-A192 WeakPolarHBondContact O-CB 3.46Å; L188-A192 PolarHBondContact O-N 3.09Å; H190-A192 PolarHBondContact O-N 3.36Å; A192-A195 WeakPolarHBondContact O-CB 3.39Å; A192-A195 PolarHBondContact O-N 3.08Å; A192-C196 PolarHBondContact O-N 3.11Å; A192-C196 PolarHBondContact O-SG 3.17Å
193T93.3Very high81.3Confident0 Ų070.9 Ų70.90%037%0.373CS..Hα-helixtrans-67-41.9179.7-57.10000111.5F64 I66 I71 L73 F189 H190 V191 A195 C196 V197F64-T193 HydrophobicContact CD1-CG2 4.41Å; I66-T193 HydrophobicContact CD1-CG2 3.42Å; I66-T193 VanDerWaalsContact CD1-CG2 3.42Å; I66-T193 HydrophobicContact CG1-CG2 4.36Å; I71-T193 HydrophobicContact CB-CG2 4.33Å; I71-T193 HydrophobicContact CD1-CG2 3.47Å; I71-T193 VanDerWaalsContact CD1-CG2 3.47Å; I71-T193 HydrophobicContact CG1-CG2 4.49Å; I71-T193 HydrophobicContact CG2-CG2 4.01Å; L73-T193 HydrophobicContact CD2-CG2 4.24Å; F189-T193 WeakPolarHBondContact O-CB 3.27Å; F189-T193 PolarHBondContact O-N 3.24Å; F189-T193 PolarHBondContact O-OG1 3.21Å; H190-T193 PolarHBondContact O-N 3.09Å; V191-T193 VanDerWaalsContact C-N 3.35Å; V191-T193 PolarHBondContact O-N 3.29Å; T193-A195 VanDerWaalsContact C-N 3.29Å; T193-A195 PolarHBondContact O-N 3.06Å; T193-C196 WeakPolarHBondContact O-CB 3.41Å; T193-C196 PolarHBondContact O-N 3.13Å; T193-C196 VanDerWaalsContact O-N 3.08Å; T193-V197 HydrophobicContact CG2-CG2 4.21Å; T193-V197 WeakPolarHBondContact O-CG2 3.44Å; T193-V197 PolarHBondContact O-N 2.93Å
194L91.9Very high78.8Confident52 Ų5271.6 Ų71.627%0.27238%0.381SS..Hα-helixtrans-58.7-40.6173.2-75.2178.1000112.1I66 H190 V191 C196 V197 N198I66-L194 HydrophobicContact CD1-CD2 3.92Å; I66-L194 HydrophobicContact CD1-CG 4.05Å; I66-L194 HydrophobicContact CG2-CD2 3.81Å; H190-L194 WeakPolarHBondContact NE2-CD1 3.35Å; H190-L194 WeakPolarHBondContact O-CG 3.39Å; H190-L194 PolarHBondContact O-N 3.38Å; V191-L194 PolarHBondContact O-N 2.65Å; L194-C196 PolarHBondContact O-N 3.43Å; L194-V197 PolarHBondContact O-N 3.4Å; L194-N198 VanDerWaalsContact O-CB 3.31Å; L194-N198 WeakPolarHBondContact O-CB 3.23Å; L194-N198 VanDerWaalsContact O-CG 3.28Å; L194-N198 PolarHBondContact O-N 3.41Å; L194-N198 PolarHBondContact O-ND2 2.9Å; L194-N198 VanDerWaalsContact O-ND2 3.12Å
195A90.2Very high75.9Confident37 Ų3779.1 Ų79.131%0.30641%0.411SS..Hα-helixtrans-62.1-32.4176.400000112.6V191 A192 T193V191-A195 PolarHBondContact O-N 3.18Å; A192-A195 WeakPolarHBondContact O-CB 3.39Å; A192-A195 PolarHBondContact O-N 3.08Å; T193-A195 VanDerWaalsContact C-N 3.29Å; T193-A195 PolarHBondContact O-N 3.06Å
196C88Confident73.1Confident9 Ų989.4 Ų89.46%0.06145%0.45CS..Hα-helixtrans-80.8-31.1177.6-66.30000114.1R24 D96 A97 A192 T193 L194R24-C196 HydrophobicContact CB-CB 4.26Å; R24-C196 HydrophobicContact CG-CB 3.83Å; R24-C196 PolarHBondContact NE-O 2.82Å; D96-C196 HydrophobicContact CB-CB 4.07Å; A97-C196 WeakPolarHBondContact CB-SG 3.4Å; A192-C196 PolarHBondContact O-N 3.11Å; A192-C196 PolarHBondContact O-SG 3.17Å; T193-C196 WeakPolarHBondContact O-CB 3.41Å; T193-C196 PolarHBondContact O-N 3.13Å; T193-C196 VanDerWaalsContact O-N 3.08Å; L194-C196 PolarHBondContact O-N 3.43Å
197V85.8Confident70Confident38 Ų3889.1 Ų89.123%0.2346%0.46CS..Hα-helixtrans-84.2-34.8-177.71750000111.6I71 T193 L194 K199I71-V197 HydrophobicContact CD1-CG2 3.55Å; I71-V197 HydrophobicContact CG1-CG2 4.45Å; T193-V197 HydrophobicContact CG2-CG2 4.21Å; T193-V197 WeakPolarHBondContact O-CG2 3.44Å; T193-V197 PolarHBondContact O-N 2.93Å; L194-V197 PolarHBondContact O-N 3.4Å; V197-K199 PolarHBondContact O-N 3.17Å
198N75.6Confident67.2Low113 Ų11393.1 Ų93.160%0.60447%0.473SS*.  trans-69.375.9178.2-72.5-31.1000111.3L194 G200L194-N198 VanDerWaalsContact O-CB 3.31Å; L194-N198 WeakPolarHBondContact O-CB 3.23Å; L194-N198 VanDerWaalsContact O-CG 3.28Å; L194-N198 PolarHBondContact O-N 3.41Å; L194-N198 PolarHBondContact O-ND2 2.9Å; L194-N198 VanDerWaalsContact O-ND2 3.12Å; N198-G200 PolarHBondContact O-N 3.33Å
199K57Low64.4Low171 Ų17198.3 Ų98.374%0.74351%0.509SS*.  trans-66.584.9165.6-74.2-172.9177.3-178.50108.2V197 N201V197-K199 PolarHBondContact O-N 3.17Å; K199-N201 PolarHBondContact O-N 2.87Å; K199-N201 VanDerWaalsContact O-N 3.08Å
200G48.4Very low61.7Low61 Ų61103.7 Ų103.763%0.62955%0.547SS*.  trans-56.1115.416300000108.7N198 K202N198-G200 PolarHBondContact O-N 3.33Å; G200-K202 VanDerWaalsContact C-N 3.35Å; G200-K202 PolarHBondContact O-N 3.4Å
201N37.4Very low58.9Low159 Ų159111.6 Ų111.685%0.8557%0.573SS**  trans-47.293.9166.8-96.8-23.3000110.2K199K199-N201 PolarHBondContact O-N 2.87Å; K199-N201 VanDerWaalsContact O-N 3.08Å
202K43.3Very low56Low188 Ų188114.2 Ų114.282%0.81759%0.594SS**  trans-97.120.7173.4-76.6-167.3178.1-1760113.3G200G200-K202 VanDerWaalsContact C-N 3.35Å; G200-K202 PolarHBondContact O-N 3.4Å
203N39.3Very low53.1Low150 Ų150121 Ų12180%0.80264%0.636SS**  trans-123.173171.2-87.4-29.7000111.4
204V42.7Very low50.3Low128 Ų128130.5 Ų130.578%0.77668%0.677SS**  trans-123.3100145.9-178.50000106.4R206V204-R206 PolarHBondContact O-N 3.05Å
205K37.3Very low47.5Very low180 Ų180139.1 Ų139.178%0.78371%0.706SS**  trans-49.3111.5164.3-73.8178.9177.2177.20107.2N207K205-N207 PolarHBondContact O-N 3.39Å
206R36.9Very low44.7Very low216 Ų216144.9 Ų144.982%0.81573%0.73SS**  trans-68.486.8170.1-169.4174.7158.3176.4-4.2106.8V204 K208V204-R206 PolarHBondContact O-N 3.05Å; R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.17Å
207N31.2Very low42.2Very low147 Ų147149.5 Ų149.579%0.78676%0.762SS**  trans-59.997.4169.4-97-0.8000107.4K205 S209K205-N207 PolarHBondContact O-N 3.39Å; N207-S209 VanDerWaalsContact C-N 3.26Å; N207-S209 PolarHBondContact O-N 3.36Å
208K36.7Very low39.7Very low179 Ų179156.7 Ų156.778%0.77879%0.793SS**  trans-71.191.5160.2-77.3-175.4177.8177.90106.3R206 S210R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.17Å; K208-S210 PolarHBondContact O-N 2.99Å; K208-S210 VanDerWaalsContact O-N 3.13Å
209S37.7Very low37.9Very low109 Ų109158.9 Ų158.976%0.76280%0.802SS**  trans-63.8110.9161.958.20000107.3N207 R211N207-S209 VanDerWaalsContact C-N 3.26Å; N207-S209 PolarHBondContact O-N 3.36Å; S209-R211 PolarHBondContact O-N 2.88Å
210S39.3Very low37Very low113 Ų113155.9 Ų155.979%0.7980%0.8SS**  trans-61.2127.3166.260.70000108.4K208K208-S210 PolarHBondContact O-N 2.99Å; K208-S210 VanDerWaalsContact O-N 3.13Å
211R36.7Very low36.2Very low239 Ų239159.3 Ų159.390%0.90281%0.808SS**  trans-129.792.9156.4-131.9177.1-173.5177.81.5107.7S209S209-R211 PolarHBondContact O-N 2.88Å
212S33.3Very low36.2Very low109 Ų109162.9 Ų162.976%0.76281%0.81SS**  trans-58.9127166.749.20000110.4
213T33.8Very low36.1Very low144 Ų144159.7 Ų159.788%0.88381%0.808SS**  trans-129.2120.4152.135.40000108.1
214K34Very low35.6Very low198 Ų198161 Ų16186%0.86181%0.81SS**  trans-87.2137179.4-81.4178.8174.2176.10109.8
215R32.1Very low35.3Very low233 Ų233163.4 Ų163.488%0.87982%0.817SS**  trans58.9145.1147.8-70.5-175.4171.9-179-3.3116.8
216I32.4Very low35Very low159 Ų159160.2 Ų160.282%0.81581%0.813SS**  -162.7145.568.8-76.7160.4000110
217S35.9Very low34.8Very low105 Ų105154.3 Ų154.373%0.73481%0.81SS**  trans-69.8131.8171.447.60000114.1
218H32.5Very low34.8Very low190 Ų190153.5 Ų153.588%0.8881%0.81SS**  trans-165.6130145.9-138.438.8000113
219M37.8Very low34.6Very low159 Ų159150.5 Ų150.578%0.78381%0.807SS**  trans-89.7159165.2-98.2-16282.800110.1
220P39Very low34.4Very low108 Ų108149.5 Ų149.570%0.70180%0.8SS**  trans-128.4127.5139.31111000114.4
221T31.7Very low34.1Very low132 Ų132151.3 Ų151.381%0.8180%0.801SS**  trans36.6132134.743.40000123.8
222R37.3Very low34.2Very low235 Ų235147.6 Ų147.689%0.88780%0.798SS**PPolyproline II helixtrans-99.5155.4168.1-166.3-173-167.8-173.44109.5
223P39.6Very low34.4Very low121 Ų121154.5 Ų154.579%0.78681%0.807SS**PPolyproline II helixtrans-102.6143154.2-2.122.2000112.5
224E30.6Very low34.6Very low177 Ų177156.7 Ų156.783%0.82781%0.805SS**PPolyproline II helixtrans-66154.4177.3-73.2171121.300114.2
225L35Very low34.7Very low178 Ų178155.3 Ų155.393%0.93281%0.807SS**  trans-145.1138.7144.4-101.8148.3000109.1
226T30.9Very low34.8Very low114 Ų114153.7 Ų153.770%0.69981%0.806SS**  trans-90.4152.4-155.544.60000115.2
227A32.4Very low35Very low91 Ų91150.4 Ų150.475%0.75280%0.803SS**  trans58.3143.5146.300000117.6
228V32.7Very low34.9Very low131 Ų131155 Ų15579%0.79481%0.81SS**  -161166.250.3175.70000108.6
229T31.4Very low35.1Very low116 Ų116151.5 Ų151.571%0.71281%0.806SS**  trans-63.8160.7-164.554.10000119.9
230S33.8Very low34.8Very low88 Ų88149.8 Ų149.862%0.61581%0.809SS**  trans45.6121.9137.465.60000120.1
231D33.5Very low34.7Very low151 Ų151150.7 Ų150.781%0.80781%0.812SS**  176.8147.884.8-106.5-33.7000112.9
232L37.8Very low34.8Very low161 Ų161150.4 Ų150.484%0.84381%0.81SS**  trans-61135.4166.6-76.3143.4000110.5
233R37.4Very low35.1Very low253 Ų253151.3 Ų151.396%0.95583%0.828SS**  trans-158138137-105.5161.3-152.9-164.57111.7
234K38.3Very low34.9Very low190 Ų190152.9 Ų152.983%0.82683%0.83SS**  trans-93.5128.2-173.5-177.1-175-166.8176.30106.3
235D36.5Very low35.1Very low169 Ų169151.6 Ų151.690%0.90483%0.83SS**  trans-149.4137.7155.7-94.5-40000112.8
236K34.4Very low35.1Very low199 Ų199150.1 Ų150.187%0.86582%0.824SS**  trans-81.9147.1179.7-67.8171170.5177.20110.2
237A35.6Very low35.3Very low90 Ų90152.2 Ų152.274%0.74483%0.832SS**  trans175.2113.3133.300000109.2
238K35.6Very low35.5Very low202 Ų202156.1 Ų156.188%0.87884%0.837SS**  76.9109.597.7-72.7-173.4179.4-178.10114.9
239S34.9Very low35.7Very low116 Ų116157.7 Ų157.781%0.81184%0.839SS**  53.2120.1125.2-171.20000119.4
240C31.6Very low36Very low123 Ų123160.7 Ų160.783%0.83185%0.848SS**  -169.4132.3114.3-143.40000111.1
241T38.1Very low36.2Very low127 Ų127166.3 Ų166.378%0.77987%0.866SS**  trans-96.3160.3161.6-59.20000108.2
242V34.3Very low36.4Very low126 Ų126167.6 Ų167.676%0.76487%0.871SS**  trans126.1108.9150.7-179.40000111.7
243M42.3Very low36.3Very low255 Ų255168.2 Ų168.2100%1.25687%0.874SS**  -151.8086.8-90.2-162.4-73.200110.2

Retrieved 243 of 243 residues in 268.3 ms (Link to these results)

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