A0A087Y279_POEFO Loading...

Rho-related GTP-binding protein Rho6

Lacks intrinsic GTPase activity. Has a low affinity for GDP, and constitutively binds GTP. Controls rearrangements of the actin cytoskeleton. Induces the Rac-dependent neuritic process formation in part by disruption of the cortical actin filaments. Causes the formation of many neuritic processes from the cell body with disruption of the cortical actin filaments.

AlphaFold DB (A0A3P9NLN3), UniProt , Accession A0A087Y279, Species POEFO (Poecilia formosa, Amazon molly), Gene RND1, Length 232 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.6Very low56.5Low245 Ų245171.5 Ų171.5100%1.20781%0.808SS**  0113.10-81165.4161.500107.8E3M1-E3 PolarHBondContact O-N 2.84Å
2K47Very low59.3Low212 Ų212158 Ų15892%0.92275%0.747SS**  trans-78.4111170.4-78.7179.9176.4178.30106.5R4K2-R4 PolarHBondContact O-N 3.2Å
3E49.3Very low61.8Low188 Ų188160.2 Ų160.288%0.87974%0.744SS**  trans-53.9112.6166.7-82175.1143.600107.8M1 R5M1-E3 PolarHBondContact O-N 2.84Å; E3-R5 VanDerWaalsContact C-N 3.33Å; E3-R5 PolarHBondContact O-N 3.42Å
4R54.4Low64.2Low237 Ų237148.9 Ų148.989%0.89469%0.691SS**  trans-64.7100.7166.2-77.2-179.7171.9-179.5-2.8105.5K2 L6K2-R4 PolarHBondContact O-N 3.2Å; R4-L6 PolarHBondContact O-N 3.4Å
5R56.1Low66.4Low240 Ų240141.1 Ų141.191%0.90666%0.655SS**  trans-53.1110.4162.4-77.2-175.5178.4175.4-0.3106E3E3-R5 VanDerWaalsContact C-N 3.33Å; E3-R5 PolarHBondContact O-N 3.42Å
6L55.5Low68.4Low154 Ų154132.3 Ų132.381%0.80661%0.614SS**PPolyproline II helixtrans-52.8131.5168.6-69.9165.8000106.3R4 Q8R4-L6 PolarHBondContact O-N 3.4Å; L6-Q8 PolarHBondContact O-N 3.01Å
7P55.2Low70.2Confident118 Ų118124.5 Ų124.577%0.76658%0.578SS**PPolyproline II helixtrans-54.1123.1175.421.3-29.5000107.4
8Q55.7Low71.7Confident181 Ų181117.6 Ų117.685%0.84655%0.546SS*.PPolyproline II helixtrans-56.1129.3172.5-79.4-179-14.800106.7L6 F10L6-Q8 PolarHBondContact O-N 3.01Å; Q8-F10 PolarHBondContact O-N 3.26Å
9P58.1Low73.2Confident82 Ų82111.4 Ų111.453%0.53252%0.517SS..PPolyproline II helixtrans-54.6130.3177.821-30000107.8V11P9-V11 WeakPolarHBondContact O-CG2 3.34Å; P9-V11 PolarHBondContact O-N 2.96Å
10F66.8Low74.4Confident158 Ų158105.9 Ų105.969%0.69349%0.491SS*.  trans-61.1106-179.6176.8-105.8000108.5Q8 A12 Q59Q8-F10 PolarHBondContact O-N 3.26Å; F10-A12 HydrophobicContact CE1-CB 4.4Å; F10-A12 PolarHBondContact O-N 3.07Å; F10-Q59 VanDerWaalsContact O-CG 3.28Å; F10-Q59 WeakPolarHBondContact O-CG 3.46Å; F10-Q59 PolarHBondContact O-NE2 2.94Å
11V80.3Confident75.6Confident72 Ų72102.3 Ų102.344%0.43648%0.476SS..  trans-85.6110.7178.2-175.40000107.8P9 R60 E62P9-V11 WeakPolarHBondContact O-CG2 3.34Å; P9-V11 PolarHBondContact O-N 2.96Å; V11-R60 WeakPolarHBondContact CA-O 3.41Å; V11-R60 HydrophobicContact CG2-CB 4.47Å; V11-E62 HydrophobicContact CG1-CB 3.98Å
12A89.3Confident78.2Confident9 Ų993 Ų937%0.07443%0.433CS..EExtended strand (participates in β ladder)trans-79.2152.9168.800000110.3F10 R60 V61 E62 M188F10-A12 HydrophobicContact CE1-CB 4.4Å; F10-A12 PolarHBondContact O-N 3.07Å; A12-R60 PolarHBondContact N-O 2.91Å; A12-R60 VanDerWaalsContact N-O 3.08Å; A12-V61 HydrophobicContact CB-CG2 4.47Å; A12-V61 CarbonylContact O-C 3.5Å; A12-V61 WeakPolarHBondContact O-CA 3.33Å; A12-E62 PolarHBondContact O-N 3.18Å; A12-M188 HydrophobicContact CB-CE 3.68Å; A12-M188 HydrophobicContact CB-SD 3.16Å; A12-M188 WeakPolarHBondContact CB-SD 3.3Å
13R92.7Very high80.6Confident187 Ų18788 Ų8871%0.70641%0.412SS*.EExtended strand (participates in β ladder)trans-115.9134.4173.8-70176.2170.7158.20.6108.9E62R13-E62 WeakPolarHBondContact CA-O 3.44Å; R13-E62 HydrophobicContact CG-CB 4.23Å; R13-E62 IonicContact CZ-OE2 3.1Å; R13-E62 IonicContact NE-OE2 2.79Å; R13-E62 PolarHBondContact NE-OE2 2.87Å; R13-E62 IonicContact NH2-OE2 3.38Å; R13-E62 PolarHBondContact NH2-OE2 2.85Å
14C94.7Very high82.9Confident2 Ų279 Ų791%0.01437%0.371CS..EExtended strand (participates in β ladder)trans-131.8122176.8160.60000108.1L16 V61 E62 L63 S64 D86 C187C14-L16 WeakPolarHBondContact SG-CD2 3.43Å; C14-V61 HydrophobicContact CB-CG1 4.05Å; C14-E62 PolarHBondContact N-O 2.58Å; C14-L63 HydrophobicContact CB-CD2 3.83Å; C14-L63 WeakPolarHBondContact O-CA 3.4Å; C14-S64 PolarHBondContact O-N 2.82Å; C14-D86 WeakPolarHBondContact CA-OD2 3.48Å; C14-C187 HydrophobicContact CB-CB 3.56Å; C14-C187 WeakPolarHBondContact CB-SG 3.42Å; C14-C187 WeakPolarHBondContact SG-CB 3.24Å; C14-C187 CovalentContact SG-SG 2.06Å; C14-C187 PolarHBondContact SG-SG 2.86Å
15K97.3Very high85Confident32 Ų3268.4 Ų68.414%0.13933%0.334CS..EExtended strand (participates in β ladder)trans-92.5119.6173.7176.8174.6168.1173.70109.6S64 W66 C81 S83 S85 D86 A87K15-S64 WeakPolarHBondContact CA-O 2.95Å; K15-W66 VanDerWaalsContact CE-NE1 3.35Å; K15-C81 WeakPolarHBondContact CE-O 3.47Å; K15-C81 PolarHBondContact NZ-O 3.21Å; K15-S83 WeakPolarHBondContact CE-O 3.39Å; K15-S83 PolarHBondContact NZ-O 2.5Å; K15-S85 WeakPolarHBondContact CE-OG 3.01Å; K15-D86 PolarHBondContact N-OD2 3.44Å; K15-D86 PolarHBondContact O-N 2.79Å; K15-A87 PolarHBondContact O-N 3.48Å
16L98.3Very high87Confident0 Ų057.4 Ų57.40%029%0.293CS..EExtended strand (participates in β ladder)trans-114.3132176.8-58.4178.9000109.9C14 L63 S64 L65 W66 A87 F180 A183C14-L16 WeakPolarHBondContact SG-CD2 3.43Å; L16-L63 HydrophobicContact CD1-CD1 4.28Å; L16-L63 HydrophobicContact CD1-CD2 4.14Å; L16-S64 PolarHBondContact N-O 3.34Å; L16-L65 HydrophobicContact CB-CD2 3.97Å; L16-L65 HydrophobicContact CD1-CD2 3.86Å; L16-L65 HydrophobicContact CG-CD2 4.32Å; L16-W66 PolarHBondContact O-N 2.91Å; L16-A87 WeakPolarHBondContact CA-O 3.44Å; L16-A87 HydrophobicContact CD2-CB 3.71Å; L16-F180 HydrophobicContact CD1-CD1 3.93Å; L16-F180 HydrophobicContact CD1-CE1 4.36Å; L16-A183 HydrophobicContact CD1-CB 3.83Å; L16-A183 HydrophobicContact CD2-CB 4.23Å
17V98.6Very high89Confident0 Ų051.3 Ų51.30%026%0.263CS..EExtended strand (participates in β ladder)trans-113.5127.5174.1-175.50000109.3V19 W66 T68 C81 Y82 S85 A87 V88 L89V17-V19 HydrophobicContact CG1-CG1 4Å; V17-W66 HydrophobicContact CB-CB 4.33Å; V17-W66 HydrophobicContact CG1-CB 4.21Å; V17-W66 HydrophobicContact CG2-CB 3.99Å; V17-W66 HydrophobicContact CG2-CG 4.25Å; V17-T68 HydrophobicContact CG1-CG2 3.9Å; V17-C81 HydrophobicContact CG1-CB 4.14Å; V17-C81 WeakPolarHBondContact CG2-O 3.42Å; V17-Y82 HydrophobicContact CB-CD1 4.44Å; V17-Y82 HydrophobicContact CG1-CD1 4.05Å; V17-Y82 HydrophobicContact CG1-CE1 4.04Å; V17-S85 WeakPolarHBondContact CG2-OG 3.47Å; V17-A87 PolarHBondContact N-O 2.86Å; V17-V88 CarbonylContact O-C 3.5Å; V17-V88 WeakPolarHBondContact O-CA 3.34Å; V17-L89 PolarHBondContact O-N 3Å
18L98.7Very high91Very high0 Ų046.4 Ų46.40%023%0.232CC..EExtended strand (participates in β ladder)trans-97.8126.4177.5-7474.6000109.5K26 L30 W66 T68 L89 F180L18-K26 HydrophobicContact CB-CB 4.27Å; L18-K26 HydrophobicContact CB-CD 4.09Å; L18-K26 HydrophobicContact CB-CG 4.2Å; L18-K26 HydrophobicContact CD2-CB 4.12Å; L18-L30 HydrophobicContact CD1-CD1 4.2Å; L18-L30 HydrophobicContact CD1-CD2 3.9Å; L18-L30 HydrophobicContact CD1-CG 4.37Å; L18-L30 HydrophobicContact CD2-CD1 3.86Å; L18-L30 HydrophobicContact CD2-CD2 3.95Å; L18-L30 HydrophobicContact CD2-CG 3.69Å; L18-L30 HydrophobicContact CG-CD1 4.49Å; L18-W66 PolarHBondContact N-O 2.73Å; L18-T68 PolarHBondContact O-OG1 2.93Å; L18-L89 WeakPolarHBondContact CA-O 3.24Å; L18-L89 HydrophobicContact CD1-CD1 4.01Å; L18-L89 HydrophobicContact CG-CB 4.06Å; L18-L89 HydrophobicContact CG-CD1 4.02Å; L18-L89 HydrophobicContact CG-CG 4.46Å; L18-F180 HydrophobicContact CD1-CE1 4.49Å; L18-F180 HydrophobicContact CD2-CZ 4.42Å
19V98.7Very high93.1Very high0 Ų037.9 Ų37.90%019%0.192CC..EExtended strand (participates in β ladder)trans-136.7159.5177.9-56.10000110.8V17 Y82 V88 L89 L90 C91 W107 I111V17-V19 HydrophobicContact CG1-CG1 4Å; V19-Y82 HydrophobicContact CG1-CE1 3.7Å; V19-Y82 WeakPolarHBondContact CG1-OH 3.44Å; V19-V88 HydrophobicContact CG1-CG1 4.47Å; V19-V88 HydrophobicContact CG2-CG1 3.62Å; V19-L89 PolarHBondContact N-O 3.09Å; V19-L90 HydrophobicContact CG2-CD1 4.03Å; V19-C91 PolarHBondContact O-N 2.88Å; V19-W107 HydrophobicContact CB-CE3 3.94Å; V19-W107 HydrophobicContact CB-CZ3 4.08Å; V19-W107 HydrophobicContact CG2-CE3 4.2Å; V19-I111 HydrophobicContact CG2-CD1 3.96Å; V19-I111 HydrophobicContact CG2-CG1 4.35Å
20G98.6Very high95Very high0 Ų034 Ų340%017%0.166CC..  trans143.9170.7-172.600000111.7K26 G70 C91 W107G20-K26 PolarHBondContact O-NZ 3.45Å; G20-G70 WeakPolarHBondContact O-CA 3.34Å; G20-C91 WeakPolarHBondContact CA-O 3.39Å; G20-W107 VanDerWaalsContact CA-CE2 3.44Å; G20-W107 WeakPolarHBondContact O-CZ2 3.26Å
21D98.5Very high96.4Very high32 Ų3228.1 Ų28.117%0.17114%0.141CC..SBendtrans-56.5158-174.1-78.723000113.7Q23 C24 K26 T99 W107D21-Q23 PolarHBondContact O-N 3.14Å; D21-C24 HydrophobicContact CB-CB 4.47Å; D21-C24 WeakPolarHBondContact O-CB 3.12Å; D21-C24 PolarHBondContact O-N 2.81Å; D21-C24 PolarHBondContact O-SG 3.14Å; D21-K26 PolarHBondContact O-NZ 2.84Å; D21-T99 HydrophobicContact CB-CG2 3.83Å; D21-W107 PolarHBondContact OD1-NE1 3.33Å
22V97.9Very high97.2Very high50 Ų5025 Ų2530%0.30312%0.123SC..THydrogen-bonded Turntrans-54.8141.2170.9-64.70000109.6C24 G70 S71 R96V22-C24 PolarHBondContact O-N 3.05Å; V22-C24 VanDerWaalsContact O-N 3.09Å; V22-G70 VanDerWaalsContact CG1-C 3.44Å; V22-S71 VanDerWaalsContact CG1-N 3.35Å; V22-R96 PolarHBondContact O-NH2 3.47Å
23Q97.6Very high97.6Very high105 Ų10525.2 Ų25.249%0.49112%0.122SC..THydrogen-bonded Turntrans60.514.5178.9-56.1177.152.900115.7D21 G25 Y42 K126D21-Q23 PolarHBondContact O-N 3.14Å; Q23-G25 VanDerWaalsContact C-N 3.32Å; Q23-G25 PolarHBondContact O-N 2.79Å; Q23-Y42 HydrophobicContact CB-CE2 4.45Å; Q23-Y42 HydrophobicContact CG-CD1 4.04Å; Q23-Y42 HydrophobicContact CG-CD2 4.01Å; Q23-Y42 HydrophobicContact CG-CE1 3.57Å; Q23-Y42 HydrophobicContact CG-CE2 3.57Å; Q23-Y42 HydrophobicContact CG-CG 4.23Å; Q23-K126 VanDerWaalsContact O-CE 3.3Å; Q23-K126 WeakPolarHBondContact O-CE 3.41Å; Q23-K126 PolarHBondContact O-NZ 3.41Å
24C98.1Very high97.7Very high1 Ų118.7 Ų18.71%0.00710%0.103CC..SBendtrans-72.3-22.3-179.570.90000114.4D21 V22 D93 C125D21-C24 HydrophobicContact CB-CB 4.47Å; D21-C24 WeakPolarHBondContact O-CB 3.12Å; D21-C24 PolarHBondContact O-N 2.81Å; D21-C24 PolarHBondContact O-SG 3.14Å; V22-C24 PolarHBondContact O-N 3.05Å; V22-C24 VanDerWaalsContact O-N 3.09Å; C24-D93 HydrophobicContact CB-CB 4.14Å; C24-C125 WeakPolarHBondContact O-CB 3.09Å
25G97.9Very high97.6Very high13 Ų1324 Ų2413%0.13413%0.126CC..SBendtrans129.8-1.6174.800000116.1Q23 T27 A28 M29Q23-G25 VanDerWaalsContact C-N 3.32Å; Q23-G25 PolarHBondContact O-N 2.79Å; G25-T27 PolarHBondContact O-N 2.7Å; G25-A28 PolarHBondContact O-N 3.17Å; G25-M29 WeakPolarHBondContact O-CG 3.4Å; G25-M29 PolarHBondContact O-N 3.06Å
26K98.4Very high97.4Very high10 Ų1028 Ų284%0.04315%0.149CC..Hα-helixtrans-47.5-58.3-177.8-60.9-178.5-62.7-70.20113.7L18 G20 D21 A28 M29 L30 T68 C91L18-K26 HydrophobicContact CB-CB 4.27Å; L18-K26 HydrophobicContact CB-CD 4.09Å; L18-K26 HydrophobicContact CB-CG 4.2Å; L18-K26 HydrophobicContact CD2-CB 4.12Å; G20-K26 PolarHBondContact O-NZ 3.45Å; D21-K26 PolarHBondContact O-NZ 2.84Å; K26-A28 PolarHBondContact O-N 2.94Å; K26-M29 WeakPolarHBondContact O-CB 3.45Å; K26-M29 PolarHBondContact O-N 2.89Å; K26-L30 PolarHBondContact O-N 3.16Å; K26-L30 VanDerWaalsContact O-N 3.11Å; K26-T68 WeakPolarHBondContact CE-O 3.42Å; K26-C91 HydrophobicContact CG-CB 3.89Å
27T98.1Very high97.1Very high26 Ų2631.2 Ų31.216%0.1617%0.171CC..Hα-helixtrans-64.1-39.2-177.6-47.20000112.3G25 M29 L30 Q31 T45 D67G25-T27 PolarHBondContact O-N 2.7Å; T27-M29 VanDerWaalsContact C-N 3.32Å; T27-M29 PolarHBondContact O-N 3.12Å; T27-L30 PolarHBondContact O-N 3.21Å; T27-Q31 HydrophobicContact CG2-CG 4.28Å; T27-Q31 WeakPolarHBondContact O-CB 3.29Å; T27-Q31 WeakPolarHBondContact O-CG 3.47Å; T27-Q31 PolarHBondContact O-N 3.17Å; T27-T45 PolarHBondContact OG1-OG1 2.82Å; T27-D67 WeakPolarHBondContact CA-OD2 3.44Å; T27-D67 VanDerWaalsContact CB-OD2 3.24Å; T27-D67 WeakPolarHBondContact CB-OD2 3.32Å; T27-D67 WeakPolarHBondContact CG2-OD2 3.45Å; T27-D67 PolarHBondContact OG1-OD2 3.29Å
28A98.1Very high96.9Very high14 Ų1435.6 Ų35.612%0.11619%0.188CC..Hα-helixtrans-62.7-40.4176.400000111.5G25 K26 V32 Y38 P39 A169G25-A28 PolarHBondContact O-N 3.17Å; K26-A28 PolarHBondContact O-N 2.94Å; A28-V32 WeakPolarHBondContact O-CB 3.06Å; A28-V32 VanDerWaalsContact O-CG2 3.27Å; A28-V32 WeakPolarHBondContact O-CG2 3.33Å; A28-V32 PolarHBondContact O-N 3.1Å; A28-Y38 HydrophobicContact CB-CD2 4.29Å; A28-Y38 HydrophobicContact CB-CE2 3.89Å; A28-P39 HydrophobicContact CB-CG 3.88Å; A28-A169 HydrophobicContact CB-CB 3.97Å
29M98.1Very high96.5Very high2 Ų237 Ų371%0.0120%0.197CC..Hα-helixtrans-61.8-44.6174.5-64.8172.757.100112G25 K26 T27 L33 I123 C125 I176 V179 F180G25-M29 WeakPolarHBondContact O-CG 3.4Å; G25-M29 PolarHBondContact O-N 3.06Å; K26-M29 WeakPolarHBondContact O-CB 3.45Å; K26-M29 PolarHBondContact O-N 2.89Å; T27-M29 VanDerWaalsContact C-N 3.32Å; T27-M29 PolarHBondContact O-N 3.12Å; M29-L33 WeakPolarHBondContact O-CB 3.47Å; M29-L33 PolarHBondContact O-N 3.08Å; M29-I123 HydrophobicContact CE-CG2 3.88Å; M29-I123 HydrophobicContact SD-CG2 4.16Å; M29-C125 PolarHBondContact SD-SG 3.34Å; M29-I176 HydrophobicContact CB-CD1 4.06Å; M29-I176 HydrophobicContact CG-CD1 3.77Å; M29-I176 WeakPolarHBondContact O-CG2 3.22Å; M29-V179 HydrophobicContact CE-CG1 3.93Å; M29-F180 HydrophobicContact CB-CE2 4.32Å; M29-F180 HydrophobicContact CE-CE2 4.03Å; M29-F180 HydrophobicContact CE-CZ 4.19Å
30L97.8Very high96Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-69-41-178.6-69.1174.3000112.4L18 K26 T27 L33 V34 Y50 L65 D67 F180L18-L30 HydrophobicContact CD1-CD1 4.2Å; L18-L30 HydrophobicContact CD1-CD2 3.9Å; L18-L30 HydrophobicContact CD1-CG 4.37Å; L18-L30 HydrophobicContact CD2-CD1 3.86Å; L18-L30 HydrophobicContact CD2-CD2 3.95Å; L18-L30 HydrophobicContact CD2-CG 3.69Å; L18-L30 HydrophobicContact CG-CD1 4.49Å; K26-L30 PolarHBondContact O-N 3.16Å; K26-L30 VanDerWaalsContact O-N 3.11Å; T27-L30 PolarHBondContact O-N 3.21Å; L30-L33 PolarHBondContact O-N 3.09Å; L30-V34 WeakPolarHBondContact O-CB 3.42Å; L30-V34 VanDerWaalsContact O-CG2 3.25Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.14Å; L30-Y50 HydrophobicContact CB-CD2 4.36Å; L30-Y50 HydrophobicContact CB-CE2 4.44Å; L30-Y50 HydrophobicContact CD1-CD2 4.14Å; L30-Y50 HydrophobicContact CD1-CE2 4.35Å; L30-L65 HydrophobicContact CD2-CB 3.78Å; L30-L65 HydrophobicContact CD2-CD1 3.73Å; L30-L65 HydrophobicContact CD2-CD2 4.32Å; L30-L65 HydrophobicContact CD2-CG 4.15Å; L30-D67 HydrophobicContact CD1-CB 3.39Å; L30-F180 HydrophobicContact CD2-CE1 4.04Å; L30-F180 HydrophobicContact CD2-CZ 3.71Å
31Q96.6Very high95.7Very high36 Ų3651.2 Ų51.217%0.16827%0.271CS..Hα-helixtrans-66.8-40.2177.6-71.4-166.38.200111.9T27 L33 V34 K35 D36 C37T27-Q31 HydrophobicContact CG2-CG 4.28Å; T27-Q31 WeakPolarHBondContact O-CB 3.29Å; T27-Q31 WeakPolarHBondContact O-CG 3.47Å; T27-Q31 PolarHBondContact O-N 3.17Å; Q31-L33 VanDerWaalsContact C-N 3.34Å; Q31-L33 PolarHBondContact O-N 3.08Å; Q31-V34 PolarHBondContact O-N 3.21Å; Q31-K35 WeakPolarHBondContact O-CA 3.37Å; Q31-K35 VanDerWaalsContact O-CB 3.31Å; Q31-K35 WeakPolarHBondContact O-CB 3.25Å; Q31-K35 PolarHBondContact O-N 2.88Å; Q31-D36 PolarHBondContact O-N 3.34Å; Q31-C37 CarbonylContact C-O 3.56Å; Q31-C37 VanDerWaalsContact C-O 3.24Å; Q31-C37 WeakPolarHBondContact CB-O 3.38Å
32V97.3Very high95.4Very high7 Ų755 Ų554%0.04228%0.284CS..Hα-helixtrans-64.5-40.7174.3171.80000111A28 D36 C37 Y38 A169 E173 I176A28-V32 WeakPolarHBondContact O-CB 3.06Å; A28-V32 VanDerWaalsContact O-CG2 3.27Å; A28-V32 WeakPolarHBondContact O-CG2 3.33Å; A28-V32 PolarHBondContact O-N 3.1Å; V32-D36 WeakPolarHBondContact O-CA 3.48Å; V32-D36 PolarHBondContact O-N 2.74Å; V32-C37 PolarHBondContact N-O 2.91Å; V32-Y38 HydrophobicContact CG2-CD2 4.2Å; V32-A169 HydrophobicContact CG2-CB 4.08Å; V32-E173 HydrophobicContact CG1-CB 4.2Å; V32-E173 HydrophobicContact CG1-CG 3.7Å; V32-I176 HydrophobicContact CB-CG1 4.46Å; V32-I176 HydrophobicContact CG1-CB 4.35Å; V32-I176 HydrophobicContact CG1-CG1 4Å; V32-I176 HydrophobicContact CG1-CG2 4.46Å
33L96.9Very high95.1Very high12 Ų1257.7 Ų57.76%0.06330%0.3CS..Hα-helixtrans-65.1-41.8177.8-178.373.6000113.3M29 L30 Q31 A52 L54 L65 I176 F180M29-L33 WeakPolarHBondContact O-CB 3.47Å; M29-L33 PolarHBondContact O-N 3.08Å; L30-L33 PolarHBondContact O-N 3.09Å; Q31-L33 VanDerWaalsContact C-N 3.34Å; Q31-L33 PolarHBondContact O-N 3.08Å; L33-A52 HydrophobicContact CD2-CB 3.99Å; L33-A52 HydrophobicContact CG-CB 4.34Å; L33-L54 HydrophobicContact CD1-CD2 4.41Å; L33-L65 HydrophobicContact CD2-CD1 3.54Å; L33-I176 HydrophobicContact CB-CG2 3.95Å; L33-I176 HydrophobicContact CD1-CG2 4.43Å; L33-F180 HydrophobicContact CB-CD2 4.3Å; L33-F180 HydrophobicContact CB-CE2 4.21Å; L33-F180 HydrophobicContact CD1-CB 4.16Å; L33-F180 HydrophobicContact CD1-CD2 3.85Å; L33-F180 HydrophobicContact CD1-CG 4.16Å; L33-F180 HydrophobicContact CD2-CB 4.15Å; L33-F180 HydrophobicContact CD2-CD1 3.8Å; L33-F180 HydrophobicContact CD2-CD2 3.56Å; L33-F180 HydrophobicContact CD2-CE1 4.03Å; L33-F180 HydrophobicContact CD2-CE2 3.79Å; L33-F180 HydrophobicContact CD2-CG 3.56Å; L33-F180 HydrophobicContact CD2-CZ 4.03Å; L33-F180 HydrophobicContact CG-CD2 4.1Å; L33-F180 HydrophobicContact CG-CE2 4.42Å; L33-F180 HydrophobicContact CG-CG 4.43Å
34V95.8Very high94.9Very high50 Ų5056.8 Ų56.830%0.30330%0.303SS..Hα-helixtrans-98.1-31.7-166.5178.40000112.5L30 Q31 Y50 A52 L65L30-V34 WeakPolarHBondContact O-CB 3.42Å; L30-V34 VanDerWaalsContact O-CG2 3.25Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.14Å; Q31-V34 PolarHBondContact O-N 3.21Å; V34-Y50 HydrophobicContact CB-CD1 4.25Å; V34-Y50 HydrophobicContact CG1-CD1 4.06Å; V34-Y50 HydrophobicContact CG2-CD1 4.2Å; V34-Y50 HydrophobicContact CG2-CG 4.36Å; V34-A52 HydrophobicContact CG2-CB 4.24Å; V34-L65 HydrophobicContact CG2-CD1 4.02Å
35K93.1Very high94.7Very high115 Ų11557.5 Ų57.550%0.531%0.307SS..Hα-helixtrans-117.3-0.4-172.2-58.3178.7176.9170.10113Q31 C37Q31-K35 WeakPolarHBondContact O-CA 3.37Å; Q31-K35 VanDerWaalsContact O-CB 3.31Å; Q31-K35 WeakPolarHBondContact O-CB 3.25Å; Q31-K35 PolarHBondContact O-N 2.88Å; K35-C37 HydrophobicContact CB-CB 4.16Å; K35-C37 WeakPolarHBondContact O-CB 3.36Å; K35-C37 PolarHBondContact O-N 3.25Å; K35-C37 VanDerWaalsContact O-N 3.08Å
36D92Very high94.4Very high115 Ų11560 Ų6062%0.61532%0.32SS*.SBendtrans49.933.6-172.5-56-38.9000112.3Q31 V32Q31-D36 PolarHBondContact O-N 3.34Å; V32-D36 WeakPolarHBondContact O-CA 3.48Å; V32-D36 PolarHBondContact O-N 2.74Å
37C92.8Very high93.9Very high68 Ų6862.6 Ų62.646%0.45933%0.331SS..  trans-139.7129.1-171.2-176.70000111.2Q31 V32 K35Q31-C37 CarbonylContact C-O 3.56Å; Q31-C37 VanDerWaalsContact C-O 3.24Å; Q31-C37 WeakPolarHBondContact CB-O 3.38Å; V32-C37 PolarHBondContact N-O 2.91Å; K35-C37 HydrophobicContact CB-CB 4.16Å; K35-C37 WeakPolarHBondContact O-CB 3.36Å; K35-C37 PolarHBondContact O-N 3.25Å; K35-C37 VanDerWaalsContact O-N 3.08Å
38Y93.4Very high93.8Very high91 Ų9165.5 Ų65.536%0.35734%0.343SS..  trans-87131.1174-178-92.4000110.4A28 V32 E40 A169 F170A28-Y38 HydrophobicContact CB-CD2 4.29Å; A28-Y38 HydrophobicContact CB-CE2 3.89Å; V32-Y38 HydrophobicContact CG2-CD2 4.2Å; Y38-E40 PolarHBondContact O-N 3.28Å; Y38-A169 HydrophobicContact CD2-CB 4.05Å; Y38-A169 WeakPolarHBondContact CD2-O 3.38Å; Y38-A169 HydrophobicContact CE2-CB 4.06Å; Y38-F170 HydrophobicContact CD1-CD2 4.08Å; Y38-F170 HydrophobicContact CD2-CB 4.41Å; Y38-F170 HydrophobicContact CD2-CD2 4.5Å; Y38-F170 AromaticContact CE1-CD2 3.84Å; Y38-F170 HydrophobicContact CE1-CD2 3.84Å; Y38-F170 HydrophobicContact CE1-CE2 4.46Å; Y38-F170 HydrophobicContact CE2-CB 3.93Å; Y38-F170 HydrophobicContact CE2-CD2 4.26Å; Y38-F170 HydrophobicContact CG-CD2 4.4Å; Y38-F170 AromaticContact CZ-CD2 3.93Å
39P91.5Very high93.7Very high31 Ų3169.4 Ų69.420%0.20136%0.362CS..  trans-70.7112.9177.125.1-30.4000111.4A28 T41A28-P39 HydrophobicContact CB-CG 3.88Å; P39-T41 VanDerWaalsContact C-N 3.28Å; P39-T41 PolarHBondContact O-N 3.45Å
40E88.6Confident93.6Very high189 Ų18970.2 Ų70.288%0.88337%0.365SS*.SBendtrans-68.7-27.2177.3-63.1-172.5168.900113.2Y38Y38-E40 PolarHBondContact O-N 3.28Å
41T91.4Very high93.5Very high108 Ų10874.2 Ų74.266%0.66339%0.389SS*.SBendtrans-119.2134.2-179.1-56.40000110.6P39 V43P39-T41 VanDerWaalsContact C-N 3.28Å; P39-T41 PolarHBondContact O-N 3.45Å; T41-V43 PolarHBondContact O-N 3.08Å
42Y91.3Very high93.5Very high112 Ų11273.1 Ų73.144%0.43939%0.387SS..  trans-73118.2173.7175.2-114.5000111.2Q23 P44Q23-Y42 HydrophobicContact CB-CE2 4.45Å; Q23-Y42 HydrophobicContact CG-CD1 4.04Å; Q23-Y42 HydrophobicContact CG-CD2 4.01Å; Q23-Y42 HydrophobicContact CG-CE1 3.57Å; Q23-Y42 HydrophobicContact CG-CE2 3.57Å; Q23-Y42 HydrophobicContact CG-CG 4.23Å; Y42-P44 HydrophobicContact CD1-CG 4.43Å; Y42-P44 HydrophobicContact CE1-CB 4.36Å; Y42-P44 HydrophobicContact CE1-CG 3.68Å
43V93.5Very high93.3Very high107 Ų10777.6 Ų77.665%0.64842%0.417SS*.  trans-114.6121.1168-179.20000107.8T41 T45T41-V43 PolarHBondContact O-N 3.08Å; V43-T45 PolarHBondContact O-N 2.93Å
44P93.3Very high93Very high85 Ų8577.5 Ų77.555%0.55242%0.417SS*.  trans-61.2118.2178.5-22.231000112.4Y42Y42-P44 HydrophobicContact CD1-CG 4.43Å; Y42-P44 HydrophobicContact CE1-CB 4.36Å; Y42-P44 HydrophobicContact CE1-CG 3.68Å
45T92.4Very high92.7Very high16 Ų1680.7 Ų80.710%0.09843%0.428CS..  trans-70.6140175.8-49.20000111.2T27 V43 E48 D67 S69T27-T45 PolarHBondContact OG1-OG1 2.82Å; V43-T45 PolarHBondContact O-N 2.93Å; T45-E48 HydrophobicContact CG2-CG 4.41Å; T45-D67 HydrophobicContact CG2-CB 4.19Å; T45-D67 PolarHBondContact OG1-OD2 3.44Å; T45-S69 WeakPolarHBondContact O-CA 3.39Å; T45-S69 WeakPolarHBondContact O-CB 3.28Å; T45-S69 PolarHBondContact O-OG 3.2Å
46V92.8Very high92.4Very high65 Ų6576.4 Ų76.439%0.39441%0.411SS..SBendtrans-95.1-74.4165.5-178.10000108.3S69 Y74V46-S69 PolarHBondContact O-N 2.95Å; V46-Y74 HydrophobicContact CB-CE1 4.45Å; V46-Y74 HydrophobicContact CG1-CD1 4.06Å; V46-Y74 HydrophobicContact CG1-CE1 3.55Å; V46-Y74 HydrophobicContact CG2-CE1 4.33Å; V46-Y74 HydrophobicContact CG2-CE2 4.37Å; V46-Y74 WeakPolarHBondContact CG2-OH 3.37Å
47F88.3Confident91.6Very high65 Ų6580.3 Ų80.329%0.28543%0.425SS..EExtended strand (participates in β ladder)trans-151.3136.2169.7-65.2-72.5000109.2D67 T68 Y74 V77 R78 C81F47-D67 WeakPolarHBondContact CA-O 3.11Å; F47-T68 HydrophobicContact CD1-CG2 4.16Å; F47-T68 HydrophobicContact CE1-CG2 4.11Å; F47-Y74 HydrophobicContact CE2-CD1 4.32Å; F47-V77 HydrophobicContact CE2-CB 4.08Å; F47-V77 HydrophobicContact CE2-CG2 3.53Å; F47-V77 HydrophobicContact CZ-CB 4.26Å; F47-V77 HydrophobicContact CZ-CG2 3.74Å; F47-R78 HydrophobicContact CE1-CB 4.08Å; F47-R78 HydrophobicContact CE1-CG 4.2Å; F47-R78 HydrophobicContact CZ-CB 4.05Å; F47-C81 WeakPolarHBondContact CD1-SG 3.27Å
48E94.9Very high90.8Very high87 Ų8784.9 Ų84.941%0.40745%0.445SS..EExtended strand (participates in β ladder)trans-141.5145.1172.4-70.8-172.5148.200110.2T45 Y50 D67T45-E48 HydrophobicContact CG2-CG 4.41Å; E48-Y50 HydrophobicContact CB-CD2 4.28Å; E48-Y50 HydrophobicContact CB-CE2 3.59Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.35Å; E48-Y50 VanDerWaalsContact OE2-CZ 3.28Å; E48-Y50 PolarHBondContact OE2-OH 2.88Å; E48-D67 HydrophobicContact CB-CB 4.25Å; E48-D67 PolarHBondContact N-O 3.5Å; E48-D67 VanDerWaalsContact N-O 3.14Å; E48-D67 PolarHBondContact O-N 2.78Å
49N95.1Very high90.3Very high96 Ų9682.9 Ų82.951%0.51344%0.439SS..EExtended strand (participates in β ladder)trans-113.5126.8176.8-71.3-27.2000109.4L65 W66N49-L65 WeakPolarHBondContact CA-O 3.46Å; N49-W66 WeakPolarHBondContact ND2-CH2 3.48Å; N49-W66 WeakPolarHBondContact OD1-CZ3 3.37Å
50Y96.4Very high90.3Very high20 Ų2087.5 Ų87.58%0.07845%0.452CS..EExtended strand (participates in β ladder)trans-117.7155.6176.1-61.7-95.3000110.2L30 V34 E48 L65 D67L30-Y50 HydrophobicContact CB-CD2 4.36Å; L30-Y50 HydrophobicContact CB-CE2 4.44Å; L30-Y50 HydrophobicContact CD1-CD2 4.14Å; L30-Y50 HydrophobicContact CD1-CE2 4.35Å; V34-Y50 HydrophobicContact CB-CD1 4.25Å; V34-Y50 HydrophobicContact CG1-CD1 4.06Å; V34-Y50 HydrophobicContact CG2-CD1 4.2Å; V34-Y50 HydrophobicContact CG2-CG 4.36Å; E48-Y50 HydrophobicContact CB-CD2 4.28Å; E48-Y50 HydrophobicContact CB-CE2 3.59Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.35Å; E48-Y50 VanDerWaalsContact OE2-CZ 3.28Å; E48-Y50 PolarHBondContact OE2-OH 2.88Å; Y50-L65 PolarHBondContact N-O 3.18Å; Y50-L65 PolarHBondContact O-N 2.83Å; Y50-D67 HydrophobicContact CE2-CB 4.19Å
51T96.5Very high90.5Very high83 Ų8378.5 Ų78.551%0.50941%0.411SS..EExtended strand (participates in β ladder)trans-124.8133171.6-55.20000108.7E62 L63T51-E62 HydrophobicContact CG2-CG 3.96Å; T51-L63 WeakPolarHBondContact CA-O 3.33Å
52A95.3Very high90.7Very high13 Ų1376.1 Ų76.111%0.10739%0.392CS..EExtended strand (participates in β ladder)trans-133.8145.8174.100000109.6L33 V34 L63 L65L33-A52 HydrophobicContact CD2-CB 3.99Å; L33-A52 HydrophobicContact CG-CB 4.34Å; V34-A52 HydrophobicContact CG2-CB 4.24Å; A52-L63 HydrophobicContact CB-CB 4.47Å; A52-L63 PolarHBondContact N-O 3.08Å; A52-L63 PolarHBondContact O-N 3.44Å; A52-L65 HydrophobicContact CB-CD1 3.95Å
53C93.8Very high91Very high101 Ų10170.8 Ų70.868%0.68237%0.371SS*.EExtended strand (participates in β ladder)trans-108.5124.1173.4-70.10000108.8V61C53-V61 WeakPolarHBondContact CA-O 3.16Å
54L91.8Very high91.2Very high10 Ų1067.8 Ų67.85%0.05236%0.355CS..EExtended strand (participates in β ladder)trans-109.4135.7173.1-63.1-173.5000110.2L33 V61 L63 F180 R181 A184L33-L54 HydrophobicContact CD1-CD2 4.41Å; L54-V61 PolarHBondContact N-O 3.47Å; L54-V61 PolarHBondContact O-N 2.85Å; L54-L63 HydrophobicContact CD1-CD1 3.55Å; L54-L63 HydrophobicContact CD1-CG 4.41Å; L54-L63 HydrophobicContact CG-CD1 3.86Å; L54-L63 HydrophobicContact CG-CG 4.44Å; L54-F180 HydrophobicContact CD1-CB 3.93Å; L54-F180 WeakPolarHBondContact CD1-O 3.39Å; L54-R181 HydrophobicContact CD1-CG 4.12Å; L54-A184 HydrophobicContact CD1-CB 4.34Å
55E89.4Confident91.4Very high117 Ų11763.8 Ų63.855%0.54733%0.329SS..EExtended strand (participates in β ladder)trans-90.7111.7167.5-57.3-162.9142.400108.5R60E55-R60 HydrophobicContact CG-CG 4.31Å; E55-R60 IonicContact OE1-CZ 3.57Å; E55-R60 IonicContact OE1-NE 3.48Å; E55-R60 PolarHBondContact OE1-NE 3Å; E55-R60 IonicContact OE1-NH2 2.79Å; E55-R60 PolarHBondContact OE1-NH2 3.33Å
56L85.1Confident91.7Very high26 Ų2665.8 Ų65.814%0.13634%0.335CS..EExtended strand (participates in β ladder)trans-94.7155.5162.7-55.9-179.5000107.6D58 Q59 V61 R181 A184 L185 M188L56-D58 PolarHBondContact O-N 3.35Å; L56-Q59 CarbonylContact C-O 3.59Å; L56-Q59 WeakPolarHBondContact CA-O 3.24Å; L56-Q59 WeakPolarHBondContact CB-O 3.38Å; L56-Q59 PolarHBondContact N-O 2.86Å; L56-Q59 CarbonylContact O-C 3.3Å; L56-Q59 PolarHBondContact O-N 3.42Å; L56-V61 HydrophobicContact CD1-CG2 3.56Å; L56-V61 HydrophobicContact CG-CG2 4.05Å; L56-R181 HydrophobicContact CD2-CB 4.35Å; L56-R181 HydrophobicContact CD2-CG 4.22Å; L56-A184 HydrophobicContact CD1-CB 4.1Å; L56-L185 HydrophobicContact CD1-CD2 3.85Å; L56-L185 HydrophobicContact CD1-CG 4.14Å; L56-L185 HydrophobicContact CD2-CD2 4.47Å; L56-L185 HydrophobicContact CD2-CG 4.3Å; L56-M188 HydrophobicContact CD1-CG 4.35Å
57E75.9Confident92Very high197 Ų19762.8 Ų62.892%0.92132%0.316SS*.THydrogen-bonded Turntrans-31.1-62.1-167.7-64.3178.1174.600114.6
58D75.9Confident92.4Very high164 Ų16459.7 Ų59.788%0.87730%0.303SS*.THydrogen-bonded Turntrans-1109.2-179.2-66-33.8000114L56L56-D58 PolarHBondContact O-N 3.35Å
59Q83.6Confident92.6Very high48 Ų4855.9 Ų55.922%0.22429%0.285CS..EExtended strand (participates in β ladder)trans-148.1136.3-170.3-165.6170.8-13.600114.6F10 L56 M188F10-Q59 VanDerWaalsContact O-CG 3.28Å; F10-Q59 WeakPolarHBondContact O-CG 3.46Å; F10-Q59 PolarHBondContact O-NE2 2.94Å; L56-Q59 CarbonylContact C-O 3.59Å; L56-Q59 WeakPolarHBondContact CA-O 3.24Å; L56-Q59 WeakPolarHBondContact CB-O 3.38Å; L56-Q59 PolarHBondContact N-O 2.86Å; L56-Q59 CarbonylContact O-C 3.3Å; L56-Q59 PolarHBondContact O-N 3.42Å; Q59-M188 VanDerWaalsContact CD-CE 3.43Å
60R90Very high92.6Very high128 Ų12851.6 Ų51.648%0.48326%0.264SS..EExtended strand (participates in β ladder)trans-86.8131.1168.1-70.6-173.8171.3173.9-0.9110.6V11 A12 E55V11-R60 WeakPolarHBondContact CA-O 3.41Å; V11-R60 HydrophobicContact CG2-CB 4.47Å; A12-R60 PolarHBondContact N-O 2.91Å; A12-R60 VanDerWaalsContact N-O 3.08Å; E55-R60 HydrophobicContact CG-CG 4.31Å; E55-R60 IonicContact OE1-CZ 3.57Å; E55-R60 IonicContact OE1-NE 3.48Å; E55-R60 PolarHBondContact OE1-NE 3Å; E55-R60 IonicContact OE1-NH2 2.79Å; E55-R60 PolarHBondContact OE1-NH2 3.33Å
61V93.7Very high92.7Very high1 Ų152.3 Ų52.31%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-116.7121.7175.8-173.60000109.2A12 C14 C53 L54 L56 L63 A184 M188A12-V61 HydrophobicContact CB-CG2 4.47Å; A12-V61 CarbonylContact O-C 3.5Å; A12-V61 WeakPolarHBondContact O-CA 3.33Å; C14-V61 HydrophobicContact CB-CG1 4.05Å; C53-V61 WeakPolarHBondContact CA-O 3.16Å; L54-V61 PolarHBondContact N-O 3.47Å; L54-V61 PolarHBondContact O-N 2.85Å; L56-V61 HydrophobicContact CD1-CG2 3.56Å; L56-V61 HydrophobicContact CG-CG2 4.05Å; V61-L63 HydrophobicContact CG1-CD2 3.86Å; V61-A184 HydrophobicContact CB-CB 4.49Å; V61-A184 HydrophobicContact CG1-CB 4.23Å; V61-M188 HydrophobicContact CG2-CG 4.09Å; V61-M188 HydrophobicContact CG2-SD 4.24Å
62E95.8Very high92.7Very high58 Ų5852.6 Ų52.627%0.27128%0.276SS..EExtended strand (participates in β ladder)trans-88.6116.8170-179.8178.1-14200108.7V11 A12 R13 C14 T51V11-E62 HydrophobicContact CG1-CB 3.98Å; A12-E62 PolarHBondContact O-N 3.18Å; R13-E62 WeakPolarHBondContact CA-O 3.44Å; R13-E62 HydrophobicContact CG-CB 4.23Å; R13-E62 IonicContact CZ-OE2 3.1Å; R13-E62 IonicContact NE-OE2 2.79Å; R13-E62 PolarHBondContact NE-OE2 2.87Å; R13-E62 IonicContact NH2-OE2 3.38Å; R13-E62 PolarHBondContact NH2-OE2 2.85Å; C14-E62 PolarHBondContact N-O 2.58Å; T51-E62 HydrophobicContact CG2-CG 3.96Å
63L96.9Very high92.8Very high0 Ų061 Ų610%031%0.306CS..EExtended strand (participates in β ladder)trans-92.9124.2177.5-60-176.8000110C14 L16 T51 A52 L54 V61 L65 F180 A184C14-L63 HydrophobicContact CB-CD2 3.83Å; C14-L63 WeakPolarHBondContact O-CA 3.4Å; L16-L63 HydrophobicContact CD1-CD1 4.28Å; L16-L63 HydrophobicContact CD1-CD2 4.14Å; T51-L63 WeakPolarHBondContact CA-O 3.33Å; A52-L63 HydrophobicContact CB-CB 4.47Å; A52-L63 PolarHBondContact N-O 3.08Å; A52-L63 PolarHBondContact O-N 3.44Å; L54-L63 HydrophobicContact CD1-CD1 3.55Å; L54-L63 HydrophobicContact CD1-CG 4.41Å; L54-L63 HydrophobicContact CG-CD1 3.86Å; L54-L63 HydrophobicContact CG-CG 4.44Å; V61-L63 HydrophobicContact CG1-CD2 3.86Å; L63-L65 HydrophobicContact CB-CD1 4.5Å; L63-L65 HydrophobicContact CB-CD2 3.79Å; L63-L65 HydrophobicContact CB-CG 3.98Å; L63-L65 HydrophobicContact CD1-CD2 4.15Å; L63-F180 HydrophobicContact CD1-CB 4.18Å; L63-F180 HydrophobicContact CD1-CD1 4.26Å; L63-A184 HydrophobicContact CD2-CB 4.18Å
64S97.9Very high92.9Very high44 Ų4459 Ų5931%0.30828%0.284SS..EExtended strand (participates in β ladder)trans-95108.4163179.50000108C14 K15 L16 W66C14-S64 PolarHBondContact O-N 2.82Å; K15-S64 WeakPolarHBondContact CA-O 2.95Å; L16-S64 PolarHBondContact N-O 3.34Å; S64-W66 PolarHBondContact OG-NE1 3.5Å; S64-W66 VanDerWaalsContact OG-NE1 3.14Å
65L98.3Very high93.2Very high0 Ų060.9 Ų60.90%030%0.295CS..EExtended strand (participates in β ladder)trans-106.1120.3-171.2-56.3170.4000109.6L16 L30 L33 V34 N49 Y50 A52 L63 F180L16-L65 HydrophobicContact CB-CD2 3.97Å; L16-L65 HydrophobicContact CD1-CD2 3.86Å; L16-L65 HydrophobicContact CG-CD2 4.32Å; L30-L65 HydrophobicContact CD2-CB 3.78Å; L30-L65 HydrophobicContact CD2-CD1 3.73Å; L30-L65 HydrophobicContact CD2-CD2 4.32Å; L30-L65 HydrophobicContact CD2-CG 4.15Å; L33-L65 HydrophobicContact CD2-CD1 3.54Å; V34-L65 HydrophobicContact CG2-CD1 4.02Å; N49-L65 WeakPolarHBondContact CA-O 3.46Å; Y50-L65 PolarHBondContact N-O 3.18Å; Y50-L65 PolarHBondContact O-N 2.83Å; A52-L65 HydrophobicContact CB-CD1 3.95Å; L63-L65 HydrophobicContact CB-CD1 4.5Å; L63-L65 HydrophobicContact CB-CD2 3.79Å; L63-L65 HydrophobicContact CB-CG 3.98Å; L63-L65 HydrophobicContact CD1-CD2 4.15Å; L65-F180 HydrophobicContact CD2-CD1 3.98Å; L65-F180 HydrophobicContact CD2-CE1 3.74Å
66W98.3Very high93.5Very high59 Ų5962.5 Ų62.522%0.22331%0.307CS..EExtended strand (participates in β ladder)trans-106107.1-179.3-68.267.6000109.4K15 L16 V17 L18 N49 S64 C81K15-W66 VanDerWaalsContact CE-NE1 3.35Å; L16-W66 PolarHBondContact O-N 2.91Å; V17-W66 HydrophobicContact CB-CB 4.33Å; V17-W66 HydrophobicContact CG1-CB 4.21Å; V17-W66 HydrophobicContact CG2-CB 3.99Å; V17-W66 HydrophobicContact CG2-CG 4.25Å; L18-W66 PolarHBondContact N-O 2.73Å; N49-W66 WeakPolarHBondContact ND2-CH2 3.48Å; N49-W66 WeakPolarHBondContact OD1-CZ3 3.37Å; S64-W66 PolarHBondContact OG-NE1 3.5Å; S64-W66 VanDerWaalsContact OG-NE1 3.14Å; W66-C81 HydrophobicContact CD2-CB 4.43Å; W66-C81 HydrophobicContact CE3-CB 3.79Å; W66-C81 HydrophobicContact CZ3-CB 4.44Å
67D98.2Very high94Very high1 Ų164.2 Ų64.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-82.3133170.3-160.36.1000109.7T27 L30 T45 F47 E48 Y50T27-D67 WeakPolarHBondContact CA-OD2 3.44Å; T27-D67 VanDerWaalsContact CB-OD2 3.24Å; T27-D67 WeakPolarHBondContact CB-OD2 3.32Å; T27-D67 WeakPolarHBondContact CG2-OD2 3.45Å; T27-D67 PolarHBondContact OG1-OD2 3.29Å; L30-D67 HydrophobicContact CD1-CB 3.39Å; T45-D67 HydrophobicContact CG2-CB 4.19Å; T45-D67 PolarHBondContact OG1-OD2 3.44Å; F47-D67 WeakPolarHBondContact CA-O 3.11Å; E48-D67 HydrophobicContact CB-CB 4.25Å; E48-D67 PolarHBondContact N-O 3.5Å; E48-D67 VanDerWaalsContact N-O 3.14Å; E48-D67 PolarHBondContact O-N 2.78Å; Y50-D67 HydrophobicContact CE2-CB 4.19Å
68T98.1Very high95Very high1 Ų154.9 Ų54.91%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-129.4150.2-176.1750000112.2V17 L18 K26 F47 G70 R78 C81V17-T68 HydrophobicContact CG1-CG2 3.9Å; L18-T68 PolarHBondContact O-OG1 2.93Å; K26-T68 WeakPolarHBondContact CE-O 3.42Å; F47-T68 HydrophobicContact CD1-CG2 4.16Å; F47-T68 HydrophobicContact CE1-CG2 4.11Å; T68-G70 PolarHBondContact O-N 2.64Å; T68-R78 HydrophobicContact CG2-CG 4.11Å; T68-C81 HydrophobicContact CG2-CB 4.17Å
69S97.6Very high96Very high6 Ų647.7 Ų47.74%0.04224%0.237CC..  trans-67.5133.6173.2-159.80000112.4T45 V46 S71 Y74 R78T45-S69 WeakPolarHBondContact O-CA 3.39Å; T45-S69 WeakPolarHBondContact O-CB 3.28Å; T45-S69 PolarHBondContact O-OG 3.2Å; V46-S69 PolarHBondContact O-N 2.95Å; S69-S71 PolarHBondContact O-N 2.68Å; S69-S71 PolarHBondContact OG-N 3.12Å; S69-Y74 WeakPolarHBondContact OG-CD2 3.41Å; S69-R78 VanDerWaalsContact O-CZ 3.31Å; S69-R78 PolarHBondContact O-NE 2.79Å; S69-R78 PolarHBondContact O-NH2 3.2Å
70G97.1Very high96.6Very high7 Ų751.6 Ų51.67%0.07226%0.259CS..  trans-77.1-7.6168.700000114.3G20 V22 T68G20-G70 WeakPolarHBondContact O-CA 3.34Å; V22-G70 VanDerWaalsContact CG1-C 3.44Å; T68-G70 PolarHBondContact O-N 2.64Å
71S97.1Very high96.9Very high34 Ų3445.7 Ų45.724%0.23824%0.237CC..SBendtrans-75.2136.8-173.1174.60000111.6V22 S69 Y73 Y74 R78V22-S71 VanDerWaalsContact CG1-N 3.35Å; S69-S71 PolarHBondContact O-N 2.68Å; S69-S71 PolarHBondContact OG-N 3.12Å; S71-Y73 PolarHBondContact O-N 3.36Å; S71-Y73 VanDerWaalsContact O-N 3.11Å; S71-Y73 WeakPolarHBondContact OG-CB 3.38Å; S71-Y73 PolarHBondContact OG-N 3.45Å; S71-Y74 PolarHBondContact O-N 2.77Å; S71-Y74 VanDerWaalsContact O-N 3.09Å; S71-R78 PolarHBondContact O-NH2 2.97Å
72P96.3Very high97.1Very high90 Ų9045.9 Ų45.958%0.58424%0.238SC*.G310 helixtrans-55.7-25.1173-2534.2000114.2Y74 D75P72-Y74 PolarHBondContact O-N 3.06Å; P72-Y74 VanDerWaalsContact O-N 3.08Å; P72-D75 WeakPolarHBondContact CA-OD1 3.11Å; P72-D75 WeakPolarHBondContact CA-OD2 3.44Å; P72-D75 WeakPolarHBondContact O-CB 3.25Å; P72-D75 VanDerWaalsContact O-CG 3.26Å; P72-D75 PolarHBondContact O-N 3.28Å; P72-D75 VanDerWaalsContact O-N 3.08Å
73Y97.2Very high97.1Very high190 Ų19046.6 Ų46.675%0.74525%0.249SC*.G310 helixtrans-56.8-26.3177.2-172.3-98000112.9S71S71-Y73 PolarHBondContact O-N 3.36Å; S71-Y73 VanDerWaalsContact O-N 3.11Å; S71-Y73 WeakPolarHBondContact OG-CB 3.38Å; S71-Y73 PolarHBondContact OG-N 3.45Å
74Y97.2Very high96.9Very high57 Ų5753.8 Ų53.822%0.22429%0.288CS..G310 helixtrans-104.912.5-178.4-59.9-71.8000113.8V46 F47 S69 S71 P72 N76 V77 R78V46-Y74 HydrophobicContact CB-CE1 4.45Å; V46-Y74 HydrophobicContact CG1-CD1 4.06Å; V46-Y74 HydrophobicContact CG1-CE1 3.55Å; V46-Y74 HydrophobicContact CG2-CE1 4.33Å; V46-Y74 HydrophobicContact CG2-CE2 4.37Å; V46-Y74 WeakPolarHBondContact CG2-OH 3.37Å; F47-Y74 HydrophobicContact CE2-CD1 4.32Å; S69-Y74 WeakPolarHBondContact OG-CD2 3.41Å; S71-Y74 PolarHBondContact O-N 2.77Å; S71-Y74 VanDerWaalsContact O-N 3.09Å; P72-Y74 PolarHBondContact O-N 3.06Å; P72-Y74 VanDerWaalsContact O-N 3.08Å; Y74-N76 PolarHBondContact O-N 2.93Å; Y74-V77 HydrophobicContact CD1-CG2 3.83Å; Y74-V77 HydrophobicContact CG-CG2 4.32Å; Y74-V77 VanDerWaalsContact O-CG2 3.29Å; Y74-V77 WeakPolarHBondContact O-CG2 3.45Å; Y74-V77 PolarHBondContact O-N 2.64Å; Y74-V77 VanDerWaalsContact O-N 3.1Å; Y74-R78 WeakPolarHBondContact O-CB 3.42Å; Y74-R78 PolarHBondContact O-N 2.86Å
75D96.8Very high96.8Very high51 Ų5152.3 Ų52.327%0.27328%0.277SS..THydrogen-bonded Turntrans-60.9-27-177.2-74.9-8.6000113.3P72 R78 P79 K106P72-D75 WeakPolarHBondContact CA-OD1 3.11Å; P72-D75 WeakPolarHBondContact CA-OD2 3.44Å; P72-D75 WeakPolarHBondContact O-CB 3.25Å; P72-D75 VanDerWaalsContact O-CG 3.26Å; P72-D75 PolarHBondContact O-N 3.28Å; P72-D75 VanDerWaalsContact O-N 3.08Å; D75-R78 IonicContact OD1-CZ 2.74Å; D75-R78 VanDerWaalsContact OD1-CZ 3.26Å; D75-R78 IonicContact OD1-NH1 3.26Å; D75-R78 PolarHBondContact OD1-NH1 3.12Å; D75-R78 IonicContact OD1-NH2 2.73Å; D75-R78 PolarHBondContact OD1-NH2 2.87Å; D75-P79 WeakPolarHBondContact O-CD 3.24Å; D75-P79 WeakPolarHBondContact O-CG 3.37Å; D75-K106 IonicContact OD1-NZ 2.74Å; D75-K106 PolarHBondContact OD1-NZ 3.11Å; D75-K106 IonicContact OD2-NZ 2.85Å; D75-K106 PolarHBondContact OD2-NZ 2.76Å; D75-K106 VanDerWaalsContact OD2-NZ 3.1Å
76N95.8Very high96.7Very high151 Ų15153.8 Ų53.881%0.80729%0.285SS*.THydrogen-bonded Turntrans-83.1-19.8178.5-66.5-34.7000114Y74Y74-N76 PolarHBondContact O-N 2.93Å
77V96.1Very high96.7Very high62 Ų6251 Ų5138%0.37628%0.275SS..THydrogen-bonded Turntrans-108.4-29.4-174.9-70.80000112.5F47 Y74 P79 L80F47-V77 HydrophobicContact CE2-CB 4.08Å; F47-V77 HydrophobicContact CE2-CG2 3.53Å; F47-V77 HydrophobicContact CZ-CB 4.26Å; F47-V77 HydrophobicContact CZ-CG2 3.74Å; Y74-V77 HydrophobicContact CD1-CG2 3.83Å; Y74-V77 HydrophobicContact CG-CG2 4.32Å; Y74-V77 VanDerWaalsContact O-CG2 3.29Å; Y74-V77 WeakPolarHBondContact O-CG2 3.45Å; Y74-V77 PolarHBondContact O-N 2.64Å; Y74-V77 VanDerWaalsContact O-N 3.1Å; V77-P79 VanDerWaalsContact C-N 3.27Å; V77-L80 VanDerWaalsContact O-CB 3.3Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 WeakPolarHBondContact O-CG 3.38Å; V77-L80 PolarHBondContact O-N 2.84Å; V77-L80 VanDerWaalsContact O-N 3.12Å
78R97.9Very high96.7Very high0 Ų051 Ų510%027%0.274CS..G310 helixtrans-52.3-39.7174-169.5-174.8-41.1104.46.3113.2F47 T68 S69 S71 Y74 D75 L80 C81 W107 E110F47-R78 HydrophobicContact CE1-CB 4.08Å; F47-R78 HydrophobicContact CE1-CG 4.2Å; F47-R78 HydrophobicContact CZ-CB 4.05Å; T68-R78 HydrophobicContact CG2-CG 4.11Å; S69-R78 VanDerWaalsContact O-CZ 3.31Å; S69-R78 PolarHBondContact O-NE 2.79Å; S69-R78 PolarHBondContact O-NH2 3.2Å; S71-R78 PolarHBondContact O-NH2 2.97Å; Y74-R78 WeakPolarHBondContact O-CB 3.42Å; Y74-R78 PolarHBondContact O-N 2.86Å; D75-R78 IonicContact OD1-CZ 2.74Å; D75-R78 VanDerWaalsContact OD1-CZ 3.26Å; D75-R78 IonicContact OD1-NH1 3.26Å; D75-R78 PolarHBondContact OD1-NH1 3.12Å; D75-R78 IonicContact OD1-NH2 2.73Å; D75-R78 PolarHBondContact OD1-NH2 2.87Å; R78-L80 PolarHBondContact O-N 2.91Å; R78-C81 VanDerWaalsContact O-CB 3.32Å; R78-C81 WeakPolarHBondContact O-CB 3.46Å; R78-C81 PolarHBondContact O-N 3.1Å; R78-W107 VanDerWaalsContact CZ-CH2 3.45Å; R78-W107 VanDerWaalsContact CZ-CZ3 3.46Å; R78-W107 VanDerWaalsContact NH1-CZ3 3.31Å; R78-E110 WeakPolarHBondContact CD-OE1 3.47Å; R78-E110 IonicContact CZ-OE1 2.91Å; R78-E110 VanDerWaalsContact NH1-CD 3.27Å; R78-E110 IonicContact NH1-OE1 2.76Å; R78-E110 PolarHBondContact NH1-OE1 2.85Å; R78-E110 IonicContact NH1-OE2 3.85Å; R78-E110 PolarHBondContact NH1-OE2 2.74Å
79P97.1Very high96.7Very high14 Ų1450.9 Ų50.99%0.09127%0.274CS..G310 helixtrans-59.5-22.8-179.5-29.738.8000115.9D75 V77 C81 Y82 F114D75-P79 WeakPolarHBondContact O-CD 3.24Å; D75-P79 WeakPolarHBondContact O-CG 3.37Å; V77-P79 VanDerWaalsContact C-N 3.27Å; P79-C81 PolarHBondContact O-N 2.89Å; P79-Y82 VanDerWaalsContact CA-CD2 3.45Å; P79-Y82 HydrophobicContact CB-CD2 4.13Å; P79-Y82 HydrophobicContact CB-CE2 4.29Å; P79-Y82 HydrophobicContact CG-CE2 4.48Å; P79-Y82 PolarHBondContact O-N 3.02Å; P79-Y82 VanDerWaalsContact O-N 3.16Å; P79-F114 HydrophobicContact CB-CD1 3.55Å; P79-F114 HydrophobicContact CB-CD2 3.81Å; P79-F114 HydrophobicContact CB-CE1 3.49Å; P79-F114 VanDerWaalsContact CB-CE1 3.49Å; P79-F114 HydrophobicContact CB-CE2 3.8Å; P79-F114 HydrophobicContact CB-CG 3.71Å; P79-F114 HydrophobicContact CB-CZ 3.64Å; P79-F114 HydrophobicContact CG-CD1 4.24Å; P79-F114 HydrophobicContact CG-CD2 3.8Å; P79-F114 HydrophobicContact CG-CE1 3.84Å; P79-F114 HydrophobicContact CG-CE2 3.39Å; P79-F114 HydrophobicContact CG-CG 4.22Å; P79-F114 HydrophobicContact CG-CZ 3.4Å; P79-F114 VanDerWaalsContact CG-CZ 3.4Å
80L95.9Very high96.8Very high129 Ų12950.7 Ų50.768%0.67527%0.272SS*.G310 helixtrans-63.8-21.3175.8-56.2176.6000112.2V77 R78V77-L80 VanDerWaalsContact O-CB 3.3Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 WeakPolarHBondContact O-CG 3.38Å; V77-L80 PolarHBondContact O-N 2.84Å; V77-L80 VanDerWaalsContact O-N 3.12Å; R78-L80 PolarHBondContact O-N 2.91Å
81C96.9Very high96.9Very high5 Ų550.4 Ų50.43%0.03427%0.27CS..G310 helixtrans-76.5-23.4178.1-56.80000112.5K15 V17 F47 W66 T68 R78 P79 S83K15-C81 WeakPolarHBondContact CE-O 3.47Å; K15-C81 PolarHBondContact NZ-O 3.21Å; V17-C81 HydrophobicContact CG1-CB 4.14Å; V17-C81 WeakPolarHBondContact CG2-O 3.42Å; F47-C81 WeakPolarHBondContact CD1-SG 3.27Å; W66-C81 HydrophobicContact CD2-CB 4.43Å; W66-C81 HydrophobicContact CE3-CB 3.79Å; W66-C81 HydrophobicContact CZ3-CB 4.44Å; T68-C81 HydrophobicContact CG2-CB 4.17Å; R78-C81 VanDerWaalsContact O-CB 3.32Å; R78-C81 WeakPolarHBondContact O-CB 3.46Å; R78-C81 PolarHBondContact O-N 3.1Å; P79-C81 PolarHBondContact O-N 2.89Å; C81-S83 PolarHBondContact O-N 3.33Å
82Y97.4Very high97Very high4 Ų448.8 Ų48.82%0.01626%0.258CS..  trans-75.3-21.7-172-62.4-52.1000114.7V17 V19 P79 D84 S85 V88 E110 F114V17-Y82 HydrophobicContact CB-CD1 4.44Å; V17-Y82 HydrophobicContact CG1-CD1 4.05Å; V17-Y82 HydrophobicContact CG1-CE1 4.04Å; V19-Y82 HydrophobicContact CG1-CE1 3.7Å; V19-Y82 WeakPolarHBondContact CG1-OH 3.44Å; P79-Y82 VanDerWaalsContact CA-CD2 3.45Å; P79-Y82 HydrophobicContact CB-CD2 4.13Å; P79-Y82 HydrophobicContact CB-CE2 4.29Å; P79-Y82 HydrophobicContact CG-CE2 4.48Å; P79-Y82 PolarHBondContact O-N 3.02Å; P79-Y82 VanDerWaalsContact O-N 3.16Å; Y82-D84 PolarHBondContact O-N 2.87Å; Y82-S85 WeakPolarHBondContact CA-OG 3.39Å; Y82-S85 WeakPolarHBondContact O-CB 3.41Å; Y82-S85 PolarHBondContact O-N 3.24Å; Y82-S85 VanDerWaalsContact O-N 3.12Å; Y82-S85 PolarHBondContact O-OG 3.11Å; Y82-V88 HydrophobicContact CD1-CG2 4.29Å; Y82-V88 HydrophobicContact CE1-CG2 4.49Å; Y82-E110 HydrophobicContact CE2-CG 4.15Å; Y82-E110 PolarHBondContact OH-OE1 3.33Å; Y82-F114 HydrophobicContact CD2-CB 3.51Å; Y82-F114 HydrophobicContact CD2-CD2 4.28Å; Y82-F114 HydrophobicContact CD2-CG 4.08Å; Y82-F114 HydrophobicContact CE2-CB 4.12Å; Y82-F114 HydrophobicContact CE2-CD2 4.12Å; Y82-F114 HydrophobicContact CE2-CG 4.38Å; Y82-F114 HydrophobicContact CG-CB 4.36Å
83S94.8Very high97.1Very high73 Ų7344.5 Ų44.551%0.5123%0.23SC..THydrogen-bonded Turntrans-54.3129.3-176.9-58.90000111.7K15 C81 S85K15-S83 WeakPolarHBondContact CE-O 3.39Å; K15-S83 PolarHBondContact NZ-O 2.5Å; C81-S83 PolarHBondContact O-N 3.33Å; S83-S85 PolarHBondContact O-N 3.04Å
84D92.7Very high97.1Very high152 Ų15235.5 Ų35.581%0.81320%0.195SC*.THydrogen-bonded Turntrans57.925.1178.9-50.2-47.4000115.1Y82Y82-D84 PolarHBondContact O-N 2.87Å
85S96.6Very high97.2Very high13 Ų1333.5 Ų33.59%0.09119%0.19CC..  trans-71.3137.6173.7-51.80000110.8K15 V17 Y82 S83 T118K15-S85 WeakPolarHBondContact CE-OG 3.01Å; V17-S85 WeakPolarHBondContact CG2-OG 3.47Å; Y82-S85 WeakPolarHBondContact CA-OG 3.39Å; Y82-S85 WeakPolarHBondContact O-CB 3.41Å; Y82-S85 PolarHBondContact O-N 3.24Å; Y82-S85 VanDerWaalsContact O-N 3.12Å; Y82-S85 PolarHBondContact O-OG 3.11Å; S83-S85 PolarHBondContact O-N 3.04Å; S85-T118 WeakPolarHBondContact O-CG2 3.49Å
86D96.6Very high97.3Very high31 Ų3134.1 Ų34.117%0.16619%0.188CC..SBendtrans-83.7-35.2175-67.5-76.5000111.3C14 K15 C187 K190C14-D86 WeakPolarHBondContact CA-OD2 3.48Å; K15-D86 PolarHBondContact N-OD2 3.44Å; K15-D86 PolarHBondContact O-N 2.79Å; D86-C187 HydrophobicContact CB-CB 4.28Å; D86-C187 WeakPolarHBondContact CB-SG 3.39Å; D86-K190 WeakPolarHBondContact OD1-CE 3.42Å; D86-K190 IonicContact OD1-NZ 3.22Å; D86-K190 PolarHBondContact OD1-NZ 3.43Å
87A97.6Very high97.3Very high0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans-149.7155.8171.700000112.2K15 L16 V17 R119K15-A87 PolarHBondContact O-N 3.48Å; L16-A87 WeakPolarHBondContact CA-O 3.44Å; L16-A87 HydrophobicContact CD2-CB 3.71Å; V17-A87 PolarHBondContact N-O 2.86Å; A87-R119 CarbonylContact C-O 3.56Å; A87-R119 WeakPolarHBondContact CA-O 3.29Å; A87-R119 HydrophobicContact CB-CB 4.03Å
88V98.4Very high97.4Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-111.5126.2171.1179.20000108.6V17 V19 Y82 I111 T118 R119 I120 L121V17-V88 CarbonylContact O-C 3.5Å; V17-V88 WeakPolarHBondContact O-CA 3.34Å; V19-V88 HydrophobicContact CG1-CG1 4.47Å; V19-V88 HydrophobicContact CG2-CG1 3.62Å; Y82-V88 HydrophobicContact CD1-CG2 4.29Å; Y82-V88 HydrophobicContact CE1-CG2 4.49Å; V88-I111 HydrophobicContact CB-CD1 4.44Å; V88-I111 HydrophobicContact CG1-CD1 3.69Å; V88-I111 HydrophobicContact CG1-CG1 4.04Å; V88-I111 HydrophobicContact CG2-CG2 4.43Å; V88-T118 HydrophobicContact CG2-CG2 3.94Å; V88-R119 PolarHBondContact N-O 3.2Å; V88-I120 WeakPolarHBondContact O-CA 3.47Å; V88-L121 PolarHBondContact O-N 3.48Å
89L98.7Very high97.4Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-90.5105.8170-56.1-173.3000107.9V17 L18 V19 C91 L121 I123 F180 A183V17-L89 PolarHBondContact O-N 3Å; L18-L89 WeakPolarHBondContact CA-O 3.24Å; L18-L89 HydrophobicContact CD1-CD1 4.01Å; L18-L89 HydrophobicContact CG-CB 4.06Å; L18-L89 HydrophobicContact CG-CD1 4.02Å; L18-L89 HydrophobicContact CG-CG 4.46Å; V19-L89 PolarHBondContact N-O 3.09Å; L89-C91 PolarHBondContact O-N 2.94Å; L89-L121 HydrophobicContact CD2-CB 3.74Å; L89-L121 HydrophobicContact CD2-CD1 3.65Å; L89-L121 HydrophobicContact CD2-CG 4.25Å; L89-I123 HydrophobicContact CB-CG1 4.09Å; L89-I123 HydrophobicContact CD2-CD1 4.27Å; L89-I123 HydrophobicContact CD2-CG1 4.41Å; L89-F180 HydrophobicContact CD1-CD1 4.25Å; L89-F180 HydrophobicContact CD1-CE1 3.68Å; L89-F180 HydrophobicContact CD1-CZ 4.2Å; L89-A183 HydrophobicContact CD2-CB 4.03Å
90L98.8Very high97.3Very high1 Ų130 Ų301%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-87.6104.9175.2176.153000108.9V19 A103 W107 I111 I120 L121 L122 I123 L159V19-L90 HydrophobicContact CG2-CD1 4.03Å; L90-A103 HydrophobicContact CD1-CB 4.46Å; L90-A103 HydrophobicContact CD2-CB 4.19Å; L90-A103 HydrophobicContact CG-CB 4.39Å; L90-W107 HydrophobicContact CD1-CB 3.31Å; L90-W107 HydrophobicContact CD1-CG 3.71Å; L90-W107 HydrophobicContact CD2-CB 4.27Å; L90-W107 HydrophobicContact CG-CB 4.45Å; L90-I111 HydrophobicContact CB-CD1 4.39Å; L90-I111 HydrophobicContact CD2-CD1 4.33Å; L90-I120 HydrophobicContact CB-CG2 4.05Å; L90-I120 HydrophobicContact CD2-CG2 4.47Å; L90-L121 PolarHBondContact N-O 3.42Å; L90-L122 HydrophobicContact CB-CD1 4.46Å; L90-L122 HydrophobicContact CD2-CD1 4.34Å; L90-L122 HydrophobicContact CG-CD1 4.08Å; L90-I123 PolarHBondContact O-N 3.2Å; L90-L159 HydrophobicContact CD2-CD1 3.93Å; L90-L159 HydrophobicContact CD2-CD2 4.5Å
91C98.8Very high97.3Very high2 Ų227.5 Ų27.51%0.01415%0.153CC..EExtended strand (participates in β ladder)trans-98.4135.6-173.9-59.80000111.9V19 G20 K26 L89 I123V19-C91 PolarHBondContact O-N 2.88Å; G20-C91 WeakPolarHBondContact CA-O 3.39Å; K26-C91 HydrophobicContact CG-CB 3.89Å; L89-C91 PolarHBondContact O-N 2.94Å; C91-I123 WeakPolarHBondContact CA-O 3.17Å
92F98.8Very high97.2Very high0 Ų028 Ų280%016%0.158CC..EExtended strand (participates in β ladder)trans-132.2163.8168.774.6-86.2000110.6I94 V100 L122 I123 C125 V147 L155 Y164F92-I94 HydrophobicContact CE2-CG2 3.84Å; F92-I94 HydrophobicContact CZ-CG2 4.28Å; F92-V100 HydrophobicContact CD2-CG2 3.5Å; F92-V100 VanDerWaalsContact CD2-CG2 3.5Å; F92-V100 HydrophobicContact CE2-CG2 3.72Å; F92-V100 HydrophobicContact CG-CG2 4.1Å; F92-V100 HydrophobicContact CZ-CG2 4.46Å; F92-L122 HydrophobicContact CD1-CD1 3.69Å; F92-L122 HydrophobicContact CD1-CG 4.13Å; F92-L122 HydrophobicContact CE1-CD1 3.91Å; F92-L122 HydrophobicContact CE1-CD2 3.98Å; F92-L122 HydrophobicContact CE1-CG 3.83Å; F92-I123 WeakPolarHBondContact CD1-O 3.3Å; F92-I123 PolarHBondContact N-O 3.38Å; F92-C125 WeakPolarHBondContact O-CB 3.32Å; F92-C125 PolarHBondContact O-N 3.37Å; F92-V147 HydrophobicContact CE2-CB 4.02Å; F92-V147 HydrophobicContact CE2-CG1 3.88Å; F92-V147 HydrophobicContact CE2-CG2 4.07Å; F92-V147 HydrophobicContact CZ-CG1 4.18Å; F92-L155 HydrophobicContact CD1-CD2 4.47Å; F92-L155 HydrophobicContact CE1-CD2 4.22Å; F92-L155 HydrophobicContact CZ-CD2 4.49Å; F92-Y164 AromaticContact CE1-CE2 3.71Å; F92-Y164 HydrophobicContact CE1-CE2 3.71Å; F92-Y164 AromaticContact CZ-CE2 3.83Å; F92-Y164 HydrophobicContact CZ-CE2 3.83Å
93D98.7Very high97.1Very high0 Ų027.8 Ų27.80%016%0.158CC..EExtended strand (participates in β ladder)trans-99.5117.7-178.2-175.2-17.3000109.7C24 S95 R96 T99 K126C24-D93 HydrophobicContact CB-CB 4.14Å; D93-S95 VanDerWaalsContact CG-OG 3.24Å; D93-S95 PolarHBondContact O-N 3.45Å; D93-S95 VanDerWaalsContact O-N 3.17Å; D93-S95 WeakPolarHBondContact OD1-CB 3.46Å; D93-S95 PolarHBondContact OD1-N 3.14Å; D93-S95 PolarHBondContact OD1-OG 2.88Å; D93-S95 PolarHBondContact OD2-OG 3.09Å; D93-R96 HydrophobicContact CB-CB 4.08Å; D93-R96 CarbonylContact O-C 3.54Å; D93-R96 PolarHBondContact O-N 2.8Å; D93-R96 IonicContact OD2-CZ 3.81Å; D93-R96 IonicContact OD2-NE 2.86Å; D93-R96 PolarHBondContact OD2-NE 2.98Å; D93-R96 IonicContact OD2-NH2 2.91Å; D93-T99 HydrophobicContact CB-CG2 4.17Å; D93-T99 PolarHBondContact N-OG1 2.06Å; D93-T99 PolarHBondContact O-OG1 3.26Å; D93-K126 WeakPolarHBondContact OD2-CE 3.26Å; D93-K126 IonicContact OD2-NZ 2.84Å; D93-K126 PolarHBondContact OD2-NZ 3.45Å
94I98.6Very high97Very high0 Ų026.5 Ų26.50%015%0.145CC..THydrogen-bonded Turntrans-66.1-19.7-176.665.2120.5000112.8F92 R96 C125 K126 R130 P146 V147F92-I94 HydrophobicContact CE2-CG2 3.84Å; F92-I94 HydrophobicContact CZ-CG2 4.28Å; I94-R96 VanDerWaalsContact C-N 3.29Å; I94-C125 WeakPolarHBondContact CG1-O 3.38Å; I94-C125 WeakPolarHBondContact CG2-O 3.46Å; I94-C125 PolarHBondContact N-O 2.97Å; I94-K126 VanDerWaalsContact CD1-O 3.31Å; I94-K126 WeakPolarHBondContact CD1-O 3.37Å; I94-K126 WeakPolarHBondContact CG1-O 3.15Å; I94-R130 HydrophobicContact CD1-CB 3.67Å; I94-P146 HydrophobicContact CD1-CB 4.49Å; I94-P146 CarbonylContact O-C 3.38Å; I94-P146 VanDerWaalsContact O-CA 3.26Å; I94-P146 WeakPolarHBondContact O-CA 3.39Å; I94-V147 HydrophobicContact CB-CB 4.28Å; I94-V147 PolarHBondContact O-N 2.94Å
95S98.4Very high97Very high16 Ų1626.2 Ų26.211%0.11214%0.137CC..THydrogen-bonded Turntrans-81.8-7.7174.969.50000113.4D93 L129 L139D93-S95 VanDerWaalsContact CG-OG 3.24Å; D93-S95 PolarHBondContact O-N 3.45Å; D93-S95 VanDerWaalsContact O-N 3.17Å; D93-S95 WeakPolarHBondContact OD1-CB 3.46Å; D93-S95 PolarHBondContact OD1-N 3.14Å; D93-S95 PolarHBondContact OD1-OG 2.88Å; D93-S95 PolarHBondContact OD2-OG 3.09Å; S95-L129 WeakPolarHBondContact OG-CD1 3.27Å; S95-L139 WeakPolarHBondContact O-CD1 3.28Å
96R98.1Very high97Very high63 Ų6328.1 Ų28.124%0.23814%0.143CC..  trans-13288.4-173.2-70.9-163.4-60141.3-2.5111.1V22 D93 I94 D98 T99V22-R96 PolarHBondContact O-NH2 3.47Å; D93-R96 HydrophobicContact CB-CB 4.08Å; D93-R96 CarbonylContact O-C 3.54Å; D93-R96 PolarHBondContact O-N 2.8Å; D93-R96 IonicContact OD2-CZ 3.81Å; D93-R96 IonicContact OD2-NE 2.86Å; D93-R96 PolarHBondContact OD2-NE 2.98Å; D93-R96 IonicContact OD2-NH2 2.91Å; I94-R96 VanDerWaalsContact C-N 3.29Å; R96-D98 VanDerWaalsContact C-OD1 3.28Å; R96-D98 WeakPolarHBondContact CA-OD1 3.4Å; R96-D98 VanDerWaalsContact CB-OD1 3.26Å; R96-D98 WeakPolarHBondContact CB-OD1 3.47Å; R96-D98 IonicContact NH1-OD2 3.99Å; R96-D98 PolarHBondContact O-N 2.83Å; R96-D98 VanDerWaalsContact O-N 3.12Å; R96-T99 HydrophobicContact CB-CG2 3.83Å; R96-T99 VanDerWaalsContact CZ-CG2 3.45Å; R96-T99 WeakPolarHBondContact O-CB 3.49Å; R96-T99 PolarHBondContact O-N 2.7Å; R96-T99 PolarHBondContact O-OG1 3.04Å
97P97.1Very high97.1Very high29 Ų2926.7 Ų26.719%0.18814%0.136CC..Hα-helixtrans-57.7-23.1-179.2-27.937.6000114.8T99 V100 D101 L139 Q144P97-T99 PolarHBondContact O-N 2.94Å; P97-V100 WeakPolarHBondContact O-CB 3.38Å; P97-V100 PolarHBondContact O-N 2.84Å; P97-D101 PolarHBondContact O-N 2.8Å; P97-L139 HydrophobicContact CG-CD2 4.28Å; P97-Q144 HydrophobicContact CG-CB 4.44Å
98D96.7Very high97Very high86 Ų8630.2 Ų30.246%0.4615%0.151SC..Hα-helixtrans-61.2-3117158.4-58.2000112.9R96 V100 D101 G102R96-D98 VanDerWaalsContact C-OD1 3.28Å; R96-D98 WeakPolarHBondContact CA-OD1 3.4Å; R96-D98 VanDerWaalsContact CB-OD1 3.26Å; R96-D98 WeakPolarHBondContact CB-OD1 3.47Å; R96-D98 IonicContact NH1-OD2 3.99Å; R96-D98 PolarHBondContact O-N 2.83Å; R96-D98 VanDerWaalsContact O-N 3.12Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 PolarHBondContact O-N 3.42Å; D98-D101 VanDerWaalsContact O-CB 3.3Å; D98-D101 WeakPolarHBondContact O-CB 3.07Å; D98-D101 PolarHBondContact O-N 2.79Å; D98-D101 VanDerWaalsContact O-N 3.15Å; D98-G102 PolarHBondContact O-N 2.99Å
99T98.1Very high97Very high2 Ų232.4 Ų32.41%0.01217%0.169CC..Hα-helixtrans-71.2-23.3177.167.70000112.7D21 D93 R96 P97 G102 A103D21-T99 HydrophobicContact CB-CG2 3.83Å; D93-T99 HydrophobicContact CB-CG2 4.17Å; D93-T99 PolarHBondContact N-OG1 2.06Å; D93-T99 PolarHBondContact O-OG1 3.26Å; R96-T99 HydrophobicContact CB-CG2 3.83Å; R96-T99 VanDerWaalsContact CZ-CG2 3.45Å; R96-T99 WeakPolarHBondContact O-CB 3.49Å; R96-T99 PolarHBondContact O-N 2.7Å; R96-T99 PolarHBondContact O-OG1 3.04Å; P97-T99 PolarHBondContact O-N 2.94Å; T99-G102 PolarHBondContact O-N 3.01Å; T99-A103 PolarHBondContact O-N 3.41Å
100V96.8Very high96.9Very high25 Ų2533.3 Ų33.315%0.15217%0.173CC..Hα-helixtrans-67.9-41.2169.8165.20000110.7F92 P97 D98 G102 A103 L104 V147 L155F92-V100 HydrophobicContact CD2-CG2 3.5Å; F92-V100 VanDerWaalsContact CD2-CG2 3.5Å; F92-V100 HydrophobicContact CE2-CG2 3.72Å; F92-V100 HydrophobicContact CG-CG2 4.1Å; F92-V100 HydrophobicContact CZ-CG2 4.46Å; P97-V100 WeakPolarHBondContact O-CB 3.38Å; P97-V100 PolarHBondContact O-N 2.84Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 PolarHBondContact O-N 3.42Å; V100-G102 VanDerWaalsContact C-N 3.3Å; V100-G102 PolarHBondContact O-N 3.2Å; V100-A103 WeakPolarHBondContact O-CB 3.45Å; V100-A103 PolarHBondContact O-N 3.01Å; V100-A103 VanDerWaalsContact O-N 3.15Å; V100-L104 PolarHBondContact O-N 2.94Å; V100-L104 VanDerWaalsContact O-N 3.11Å; V100-V147 HydrophobicContact CG2-CG2 3.83Å; V100-L155 HydrophobicContact CB-CD2 4.11Å; V100-L155 HydrophobicContact CG1-CD1 3.97Å; V100-L155 HydrophobicContact CG1-CD2 3.46Å; V100-L155 VanDerWaalsContact CG1-CD2 3.46Å; V100-L155 HydrophobicContact CG1-CG 4.31Å; V100-L155 HydrophobicContact CG2-CD2 3.85Å
101D94.1Very high96.9Very high76 Ų7633.3 Ų33.341%0.40617%0.173SC..Hα-helixtrans-61.7-40.9174.2-91.9-19.7000111.4P97 D98 A103 L104 K105P97-D101 PolarHBondContact O-N 2.8Å; D98-D101 VanDerWaalsContact O-CB 3.3Å; D98-D101 WeakPolarHBondContact O-CB 3.07Å; D98-D101 PolarHBondContact O-N 2.79Å; D98-D101 VanDerWaalsContact O-N 3.15Å; D101-A103 VanDerWaalsContact C-N 3.32Å; D101-A103 PolarHBondContact O-N 3.24Å; D101-L104 PolarHBondContact O-N 3.35Å; D101-K105 HydrophobicContact CB-CD 4.46Å; D101-K105 WeakPolarHBondContact O-CB 3.34Å; D101-K105 WeakPolarHBondContact O-CG 3.19Å; D101-K105 PolarHBondContact O-N 3.49Å; D101-K105 IonicContact OD1-NZ 3.21Å; D101-K105 PolarHBondContact OD1-NZ 3.42Å; D101-K105 IonicContact OD2-NZ 3.04Å; D101-K105 PolarHBondContact OD2-NZ 3.17Å
102G95.1Very high96.8Very high14 Ų1438 Ų3814%0.14420%0.195CC..Hα-helixtrans-57.1-43.9171.800000112.2D98 T99 V100 L104 K106 W107D98-G102 PolarHBondContact O-N 2.99Å; T99-G102 PolarHBondContact O-N 3.01Å; V100-G102 VanDerWaalsContact C-N 3.3Å; V100-G102 PolarHBondContact O-N 3.2Å; G102-L104 PolarHBondContact O-N 2.9Å; G102-K106 WeakPolarHBondContact O-CB 3.49Å; G102-K106 PolarHBondContact O-N 3.48Å; G102-W107 VanDerWaalsContact C-CD1 3.43Å; G102-W107 VanDerWaalsContact O-CD1 3.25Å; G102-W107 PolarHBondContact O-N 3.37Å; G102-W107 VanDerWaalsContact O-N 3.08Å
103A94.8Very high96.7Very high1 Ų144.1 Ų44.11%0.00823%0.228CC..Iπ-helixtrans-58.5-45.4177.100000112.3L90 T99 V100 D101 K108 L159L90-A103 HydrophobicContact CD1-CB 4.46Å; L90-A103 HydrophobicContact CD2-CB 4.19Å; L90-A103 HydrophobicContact CG-CB 4.39Å; T99-A103 PolarHBondContact O-N 3.41Å; V100-A103 WeakPolarHBondContact O-CB 3.45Å; V100-A103 PolarHBondContact O-N 3.01Å; V100-A103 VanDerWaalsContact O-N 3.15Å; D101-A103 VanDerWaalsContact C-N 3.32Å; D101-A103 PolarHBondContact O-N 3.24Å; A103-K108 WeakPolarHBondContact O-CB 3.2Å; A103-K108 PolarHBondContact O-N 3.04Å; A103-K108 VanDerWaalsContact O-N 3.08Å; A103-L159 HydrophobicContact CB-CD1 4.42Å
104L93.4Very high96.6Very high46 Ų4649.6 Ų49.624%0.24125%0.252CS..Iπ-helixtrans-70.3-45.8-179.9-74.1170.2000113.4V100 D101 G102 L155 Q158 L159V100-L104 PolarHBondContact O-N 2.94Å; V100-L104 VanDerWaalsContact O-N 3.11Å; D101-L104 PolarHBondContact O-N 3.35Å; G102-L104 PolarHBondContact O-N 2.9Å; L104-L155 HydrophobicContact CD1-CD1 3.94Å; L104-L155 HydrophobicContact CD2-CD1 3.55Å; L104-L155 HydrophobicContact CG-CD1 3.57Å; L104-Q158 HydrophobicContact CD2-CG 3.96Å; L104-L159 HydrophobicContact CD2-CD2 3.76Å; L104-L159 HydrophobicContact CD2-CG 4.17Å; L104-L159 HydrophobicContact CG-CD2 4.44Å
105K92.9Very high96.5Very high145 Ų14550 Ų5063%0.6326%0.255SS*.Iπ-helixtrans-91.5-38.5-166.1-64.3167.8-171.31600112.7D101D101-K105 HydrophobicContact CB-CD 4.46Å; D101-K105 WeakPolarHBondContact O-CB 3.34Å; D101-K105 WeakPolarHBondContact O-CG 3.19Å; D101-K105 PolarHBondContact O-N 3.49Å; D101-K105 IonicContact OD1-NZ 3.21Å; D101-K105 PolarHBondContact OD1-NZ 3.42Å; D101-K105 IonicContact OD2-NZ 3.04Å; D101-K105 PolarHBondContact OD2-NZ 3.17Å
106K96.9Very high96.3Very high54 Ų5452.3 Ų52.324%0.23527%0.269CS..Iπ-helixtrans-102.7-64.1-175.6176.5179.7175.6164.60111.2D75 G102 K108 A109 E110D75-K106 IonicContact OD1-NZ 2.74Å; D75-K106 PolarHBondContact OD1-NZ 3.11Å; D75-K106 IonicContact OD2-NZ 2.85Å; D75-K106 PolarHBondContact OD2-NZ 2.76Å; D75-K106 VanDerWaalsContact OD2-NZ 3.1Å; G102-K106 WeakPolarHBondContact O-CB 3.49Å; G102-K106 PolarHBondContact O-N 3.48Å; K106-K108 PolarHBondContact O-N 3.49Å; K106-A109 PolarHBondContact O-N 3.43Å; K106-A109 VanDerWaalsContact O-N 3.17Å; K106-E110 PolarHBondContact O-N 3.38Å
107W98.3Very high96Very high1 Ų156.8 Ų56.80%0.00430%0.298CS..Iπ-helixtrans-68.5-39.6-164-61.4113000112.8V19 G20 D21 R78 L90 G102 A109 E110 I111V19-W107 HydrophobicContact CB-CE3 3.94Å; V19-W107 HydrophobicContact CB-CZ3 4.08Å; V19-W107 HydrophobicContact CG2-CE3 4.2Å; G20-W107 VanDerWaalsContact CA-CE2 3.44Å; G20-W107 WeakPolarHBondContact O-CZ2 3.26Å; D21-W107 PolarHBondContact OD1-NE1 3.33Å; R78-W107 VanDerWaalsContact CZ-CH2 3.45Å; R78-W107 VanDerWaalsContact CZ-CZ3 3.46Å; R78-W107 VanDerWaalsContact NH1-CZ3 3.31Å; L90-W107 HydrophobicContact CD1-CB 3.31Å; L90-W107 HydrophobicContact CD1-CG 3.71Å; L90-W107 HydrophobicContact CD2-CB 4.27Å; L90-W107 HydrophobicContact CG-CB 4.45Å; G102-W107 VanDerWaalsContact C-CD1 3.43Å; G102-W107 VanDerWaalsContact O-CD1 3.25Å; G102-W107 PolarHBondContact O-N 3.37Å; G102-W107 VanDerWaalsContact O-N 3.08Å; W107-A109 VanDerWaalsContact C-N 3.33Å; W107-A109 PolarHBondContact O-N 2.85Å; W107-E110 PolarHBondContact O-N 3.02Å; W107-I111 WeakPolarHBondContact O-CB 3.43Å; W107-I111 WeakPolarHBondContact O-CD1 3.37Å; W107-I111 WeakPolarHBondContact O-CG1 3.5Å; W107-I111 PolarHBondContact O-N 3.24Å
108K96.2Very high95.9Very high73 Ų7356.6 Ų56.632%0.31730%0.296SS..Hα-helixtrans-55.9-47.9172.8-171.4-173.8-174.5169.50112A103 K106 I111 Q112 Q158 L159A103-K108 WeakPolarHBondContact O-CB 3.2Å; A103-K108 PolarHBondContact O-N 3.04Å; A103-K108 VanDerWaalsContact O-N 3.08Å; K106-K108 PolarHBondContact O-N 3.49Å; K108-I111 PolarHBondContact O-N 2.98Å; K108-Q112 WeakPolarHBondContact O-CB 3.34Å; K108-Q112 PolarHBondContact O-N 3.45Å; K108-Q158 PolarHBondContact NZ-O 2.99Å; K108-L159 HydrophobicContact CB-CD2 3.85Å; K108-L159 HydrophobicContact CD-CD2 3.83Å; K108-L159 VanDerWaalsContact CE-O 3.23Å; K108-L159 WeakPolarHBondContact CE-O 3.41Å; K108-L159 HydrophobicContact CG-CD2 4.09Å
109A97.1Very high95.8Very high46 Ų4656.3 Ų56.338%0.3829%0.289SS..Hα-helixtrans-64-44.9-178.900000111.1K106 W107 I111 Q112 D113K106-A109 PolarHBondContact O-N 3.43Å; K106-A109 VanDerWaalsContact O-N 3.17Å; W107-A109 VanDerWaalsContact C-N 3.33Å; W107-A109 PolarHBondContact O-N 2.85Å; A109-I111 PolarHBondContact O-N 2.98Å; A109-Q112 PolarHBondContact O-N 3.25Å; A109-D113 WeakPolarHBondContact O-CB 3.01Å; A109-D113 PolarHBondContact O-N 3.47Å
110E98.3Very high95.8Very high19 Ų1957.1 Ų57.19%0.08929%0.293CS..Hα-helixtrans-60.4-47.9177.6-170.9177.1124.600112.1R78 Y82 K106 W107 Q112 D113 F114R78-E110 WeakPolarHBondContact CD-OE1 3.47Å; R78-E110 IonicContact CZ-OE1 2.91Å; R78-E110 VanDerWaalsContact NH1-CD 3.27Å; R78-E110 IonicContact NH1-OE1 2.76Å; R78-E110 PolarHBondContact NH1-OE1 2.85Å; R78-E110 IonicContact NH1-OE2 3.85Å; R78-E110 PolarHBondContact NH1-OE2 2.74Å; Y82-E110 HydrophobicContact CE2-CG 4.15Å; Y82-E110 PolarHBondContact OH-OE1 3.33Å; K106-E110 PolarHBondContact O-N 3.38Å; W107-E110 PolarHBondContact O-N 3.02Å; E110-Q112 VanDerWaalsContact C-N 3.28Å; E110-Q112 PolarHBondContact O-N 3.5Å; E110-D113 PolarHBondContact O-N 2.9Å; E110-F114 HydrophobicContact CG-CD2 3.83Å; E110-F114 HydrophobicContact CG-CE2 3.96Å; E110-F114 VanDerWaalsContact O-CD2 3.24Å; E110-F114 WeakPolarHBondContact O-CD2 3.4Å; E110-F114 PolarHBondContact O-N 3.44Å; E110-F114 VanDerWaalsContact O-N 3.12Å
111I97.9Very high95.9Very high1 Ų156 Ų561%0.00529%0.286CS..Hα-helixtrans-59.4-43177.4-65.9164.6000110.4V19 V88 L90 W107 K108 A109 D113 C115 I120V19-I111 HydrophobicContact CG2-CD1 3.96Å; V19-I111 HydrophobicContact CG2-CG1 4.35Å; V88-I111 HydrophobicContact CB-CD1 4.44Å; V88-I111 HydrophobicContact CG1-CD1 3.69Å; V88-I111 HydrophobicContact CG1-CG1 4.04Å; V88-I111 HydrophobicContact CG2-CG2 4.43Å; L90-I111 HydrophobicContact CB-CD1 4.39Å; L90-I111 HydrophobicContact CD2-CD1 4.33Å; W107-I111 WeakPolarHBondContact O-CB 3.43Å; W107-I111 WeakPolarHBondContact O-CD1 3.37Å; W107-I111 WeakPolarHBondContact O-CG1 3.5Å; W107-I111 PolarHBondContact O-N 3.24Å; K108-I111 PolarHBondContact O-N 2.98Å; A109-I111 PolarHBondContact O-N 2.98Å; I111-D113 VanDerWaalsContact C-N 3.35Å; I111-D113 PolarHBondContact O-N 3.45Å; I111-C115 CarbonylContact O-C 3.53Å; I111-C115 VanDerWaalsContact O-C 3.27Å; I111-C115 WeakPolarHBondContact O-CA 3.31Å; I111-C115 PolarHBondContact O-N 3.34Å; I111-C115 PolarHBondContact O-SG 3.08Å; I111-C115 VanDerWaalsContact O-SG 3.41Å; I111-I120 HydrophobicContact CB-CD1 4.34Å; I111-I120 HydrophobicContact CD1-CD1 4.33Å; I111-I120 HydrophobicContact CG2-CD1 3.61Å; I111-I120 HydrophobicContact CG2-CG1 3.89Å
112Q96.4Very high96.1Very high102 Ų10252.3 Ų52.348%0.47727%0.266SS..Hα-helixtrans-65.8-35.6179-169.865.144.800112.7K108 A109 E110 P116K108-Q112 WeakPolarHBondContact O-CB 3.34Å; K108-Q112 PolarHBondContact O-N 3.45Å; A109-Q112 PolarHBondContact O-N 3.25Å; E110-Q112 VanDerWaalsContact C-N 3.28Å; E110-Q112 PolarHBondContact O-N 3.5Å; Q112-P116 WeakPolarHBondContact O-CB 3.28Å; Q112-P116 WeakPolarHBondContact O-CD 3.34Å
113D97.1Very high96.3Very high128 Ų12851.7 Ų51.768%0.68426%0.259SS*.Hα-helixtrans-72.1-38-179.6-77.4-15.9000112.2A109 E110 I111A109-D113 WeakPolarHBondContact O-CB 3.01Å; A109-D113 PolarHBondContact O-N 3.47Å; E110-D113 PolarHBondContact O-N 2.9Å; I111-D113 VanDerWaalsContact C-N 3.35Å; I111-D113 PolarHBondContact O-N 3.45Å
114F97.3Very high96.5Very high114 Ų11451.6 Ų51.650%0.526%0.259SS..Hα-helixtrans-101.8-30-172.8-67.7-71.3000114.8P79 Y82 E110P79-F114 HydrophobicContact CB-CD1 3.55Å; P79-F114 HydrophobicContact CB-CD2 3.81Å; P79-F114 HydrophobicContact CB-CE1 3.49Å; P79-F114 VanDerWaalsContact CB-CE1 3.49Å; P79-F114 HydrophobicContact CB-CE2 3.8Å; P79-F114 HydrophobicContact CB-CG 3.71Å; P79-F114 HydrophobicContact CB-CZ 3.64Å; P79-F114 HydrophobicContact CG-CD1 4.24Å; P79-F114 HydrophobicContact CG-CD2 3.8Å; P79-F114 HydrophobicContact CG-CE1 3.84Å; P79-F114 HydrophobicContact CG-CE2 3.39Å; P79-F114 HydrophobicContact CG-CG 4.22Å; P79-F114 HydrophobicContact CG-CZ 3.4Å; P79-F114 VanDerWaalsContact CG-CZ 3.4Å; Y82-F114 HydrophobicContact CD2-CB 3.51Å; Y82-F114 HydrophobicContact CD2-CD2 4.28Å; Y82-F114 HydrophobicContact CD2-CG 4.08Å; Y82-F114 HydrophobicContact CE2-CB 4.12Å; Y82-F114 HydrophobicContact CE2-CD2 4.12Å; Y82-F114 HydrophobicContact CE2-CG 4.38Å; Y82-F114 HydrophobicContact CG-CB 4.36Å; E110-F114 HydrophobicContact CG-CD2 3.83Å; E110-F114 HydrophobicContact CG-CE2 3.96Å; E110-F114 VanDerWaalsContact O-CD2 3.24Å; E110-F114 WeakPolarHBondContact O-CD2 3.4Å; E110-F114 PolarHBondContact O-N 3.44Å; E110-F114 VanDerWaalsContact O-N 3.12Å
115C95.3Very high96.7Very high10 Ų1049.5 Ų49.57%0.06825%0.248CC..  trans-146.958.3-175.268.60000112.8I111 N117 T118I111-C115 CarbonylContact O-C 3.53Å; I111-C115 VanDerWaalsContact O-C 3.27Å; I111-C115 WeakPolarHBondContact O-CA 3.31Å; I111-C115 PolarHBondContact O-N 3.34Å; I111-C115 PolarHBondContact O-SG 3.08Å; I111-C115 VanDerWaalsContact O-SG 3.41Å; C115-N117 PolarHBondContact O-N 3.09Å; C115-T118 VanDerWaalsContact CB-OG1 3.25Å; C115-T118 WeakPolarHBondContact CB-OG1 3.47Å; C115-T118 VanDerWaalsContact O-CB 3.26Å; C115-T118 WeakPolarHBondContact O-CB 3.47Å; C115-T118 PolarHBondContact O-N 3.14Å; C115-T118 PolarHBondContact O-OG1 3.46Å
116P94.6Very high97Very high64 Ų6445.1 Ų45.142%0.41623%0.229SC..THydrogen-bonded Turntrans-62.1-20.1-169.123.6-36.1000116.2Q112Q112-P116 WeakPolarHBondContact O-CB 3.28Å; Q112-P116 WeakPolarHBondContact O-CD 3.34Å
117N91.8Very high97.1Very high156 Ų15643.9 Ų43.983%0.83423%0.226SC*.THydrogen-bonded Turntrans-98.93.8-179.1-59.3-54.6000112.6C115C115-N117 PolarHBondContact O-N 3.09Å
118T94.9Very high97.1Very high26 Ų2645.5 Ų45.516%0.1624%0.235CC..SBendtrans-86.3140.7-177.6-460000109.6S85 V88 C115S85-T118 WeakPolarHBondContact O-CG2 3.49Å; V88-T118 HydrophobicContact CG2-CG2 3.94Å; C115-T118 VanDerWaalsContact CB-OG1 3.25Å; C115-T118 WeakPolarHBondContact CB-OG1 3.47Å; C115-T118 VanDerWaalsContact O-CB 3.26Å; C115-T118 WeakPolarHBondContact O-CB 3.47Å; C115-T118 PolarHBondContact O-N 3.14Å; C115-T118 PolarHBondContact O-OG1 3.46Å
119R95.1Very high97.2Very high79 Ų7943.7 Ų43.730%0.29823%0.229SC..EExtended strand (participates in β ladder)trans-65.4141.5176.6-69.3169.4172.380.80.7110.2A87 V88 E162 A186A87-R119 CarbonylContact C-O 3.56Å; A87-R119 WeakPolarHBondContact CA-O 3.29Å; A87-R119 HydrophobicContact CB-CB 4.03Å; V88-R119 PolarHBondContact N-O 3.2Å; R119-E162 WeakPolarHBondContact CD-OE2 3.47Å; R119-E162 WeakPolarHBondContact CG-OE2 3.33Å; R119-E162 IonicContact NE-OE2 3.52Å; R119-A186 PolarHBondContact NE-O 3.45Å
120I97.6Very high97.2Very high19 Ų1944.7 Ų44.710%0.09722%0.223CC..EExtended strand (participates in β ladder)trans-113.4128174.7-55.1177.1000107.9V88 L90 I111 A161 E162V88-I120 WeakPolarHBondContact O-CA 3.47Å; L90-I120 HydrophobicContact CB-CG2 4.05Å; L90-I120 HydrophobicContact CD2-CG2 4.47Å; I111-I120 HydrophobicContact CB-CD1 4.34Å; I111-I120 HydrophobicContact CD1-CD1 4.33Å; I111-I120 HydrophobicContact CG2-CD1 3.61Å; I111-I120 HydrophobicContact CG2-CG1 3.89Å; I120-A161 HydrophobicContact CB-CB 4.38Å; I120-A161 HydrophobicContact CG2-CB 4.15Å; I120-A161 CarbonylContact O-C 3.55Å; I120-A161 VanDerWaalsContact O-CA 3.26Å; I120-A161 WeakPolarHBondContact O-CA 3.37Å; I120-A161 WeakPolarHBondContact O-CB 3.28Å; I120-E162 PolarHBondContact O-N 2.94Å
121L98.3Very high97.2Very high1 Ų149 Ų491%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-113.9125168.9-61.1167.6000107.5V88 L89 L90 I123 E162 A163 A183 A186V88-L121 PolarHBondContact O-N 3.48Å; L89-L121 HydrophobicContact CD2-CB 3.74Å; L89-L121 HydrophobicContact CD2-CD1 3.65Å; L89-L121 HydrophobicContact CD2-CG 4.25Å; L90-L121 PolarHBondContact N-O 3.42Å; L121-I123 HydrophobicContact CB-CD1 4.18Å; L121-E162 HydrophobicContact CD2-CB 4.1Å; L121-A163 HydrophobicContact CD2-CB 3.83Å; L121-A183 HydrophobicContact CD1-CB 3.61Å; L121-A186 HydrophobicContact CD1-CB 4.41Å
122L98.8Very high97.2Very high0 Ų051.6 Ų51.60%026%0.264CS..EExtended strand (participates in β ladder)trans-87.7126.9177.8-179.570.2000109.2L90 F92 G152 L155 A156 L159 A161 A163 Y164 L165L90-L122 HydrophobicContact CB-CD1 4.46Å; L90-L122 HydrophobicContact CD2-CD1 4.34Å; L90-L122 HydrophobicContact CG-CD1 4.08Å; F92-L122 HydrophobicContact CD1-CD1 3.69Å; F92-L122 HydrophobicContact CD1-CG 4.13Å; F92-L122 HydrophobicContact CE1-CD1 3.91Å; F92-L122 HydrophobicContact CE1-CD2 3.98Å; F92-L122 HydrophobicContact CE1-CG 3.83Å; L122-G152 WeakPolarHBondContact CD2-O 3.36Å; L122-L155 HydrophobicContact CD1-CD2 4.48Å; L122-L155 HydrophobicContact CD2-CB 4Å; L122-L155 HydrophobicContact CD2-CD2 3.84Å; L122-L155 HydrophobicContact CD2-CG 3.67Å; L122-A156 HydrophobicContact CB-CB 4.1Å; L122-A156 HydrophobicContact CD2-CB 3.79Å; L122-L159 HydrophobicContact CD1-CD1 3.61Å; L122-L159 HydrophobicContact CD2-CD1 4.05Å; L122-L159 HydrophobicContact CG-CD1 4.31Å; L122-A161 HydrophobicContact CB-CB 4.03Å; L122-A163 PolarHBondContact N-O 3.12Å; L122-Y164 HydrophobicContact CB-CD2 4.21Å; L122-Y164 HydrophobicContact CD2-CD2 3.74Å; L122-Y164 HydrophobicContact CD2-CE2 4.21Å; L122-Y164 HydrophobicContact CG-CD2 3.9Å; L122-Y164 HydrophobicContact CG-CE2 4.34Å; L122-Y164 WeakPolarHBondContact O-CA 3.42Å; L122-Y164 WeakPolarHBondContact O-CD2 3.5Å; L122-L165 PolarHBondContact O-N 3.38Å
123I98.8Very high97.2Very high0 Ų051.1 Ų51.10%027%0.268CS..EExtended strand (participates in β ladder)trans-119.7117.6-176.8-44.1-59.5000110.5M29 L89 L90 C91 F92 L121 L165 V179M29-I123 HydrophobicContact CE-CG2 3.88Å; M29-I123 HydrophobicContact SD-CG2 4.16Å; L89-I123 HydrophobicContact CB-CG1 4.09Å; L89-I123 HydrophobicContact CD2-CD1 4.27Å; L89-I123 HydrophobicContact CD2-CG1 4.41Å; L90-I123 PolarHBondContact O-N 3.2Å; C91-I123 WeakPolarHBondContact CA-O 3.17Å; F92-I123 WeakPolarHBondContact CD1-O 3.3Å; F92-I123 PolarHBondContact N-O 3.38Å; L121-I123 HydrophobicContact CB-CD1 4.18Å; I123-L165 CarbonylContact C-O 3.57Å; I123-L165 WeakPolarHBondContact CA-O 3.41Å; I123-L165 HydrophobicContact CD1-CB 3.9Å; I123-L165 HydrophobicContact CD1-CD1 4.08Å; I123-L165 HydrophobicContact CD1-CG 4.42Å; I123-V179 HydrophobicContact CD1-CG1 3.81Å; I123-V179 HydrophobicContact CG1-CG1 4.44Å; I123-V179 HydrophobicContact CG2-CG1 4.44Å; I123-V179 HydrophobicContact CG2-CG2 4.44Å
124G98.8Very high97.3Very high0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-84.9112.7167.700000110.5L165 E166 C167G124-L165 PolarHBondContact N-O 3.18Å; G124-E166 WeakPolarHBondContact O-CA 3.33Å; G124-C167 PolarHBondContact O-N 3.21Å
125C98.8Very high97.3Very high2 Ų244.1 Ų44.11%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-95157.9-179.7-590000111.7C24 M29 F92 I94 C167C24-C125 WeakPolarHBondContact O-CB 3.09Å; M29-C125 PolarHBondContact SD-SG 3.34Å; F92-C125 WeakPolarHBondContact O-CB 3.32Å; F92-C125 PolarHBondContact O-N 3.37Å; I94-C125 WeakPolarHBondContact CG1-O 3.38Å; I94-C125 WeakPolarHBondContact CG2-O 3.46Å; I94-C125 PolarHBondContact N-O 2.97Å; C125-C167 CarbonylContact C-O 3.24Å
126K98.4Very high97.4Very high52 Ų5250.7 Ų50.723%0.22627%0.265CS..  trans64.642.6174.4-46.4-172.5-167.7166.40114Q23 D93 I94 D128 L129 C167Q23-K126 VanDerWaalsContact O-CE 3.3Å; Q23-K126 WeakPolarHBondContact O-CE 3.41Å; Q23-K126 PolarHBondContact O-NZ 3.41Å; D93-K126 WeakPolarHBondContact OD2-CE 3.26Å; D93-K126 IonicContact OD2-NZ 2.84Å; D93-K126 PolarHBondContact OD2-NZ 3.45Å; I94-K126 VanDerWaalsContact CD1-O 3.31Å; I94-K126 WeakPolarHBondContact CD1-O 3.37Å; I94-K126 WeakPolarHBondContact CG1-O 3.15Å; K126-D128 WeakPolarHBondContact CA-OD1 3.45Å; K126-D128 PolarHBondContact O-N 2.94Å; K126-D128 VanDerWaalsContact O-N 3.1Å; K126-L129 HydrophobicContact CB-CD1 3.79Å; K126-L129 HydrophobicContact CB-CG 4.07Å; K126-L129 HydrophobicContact CD-CD1 3.76Å; K126-L129 HydrophobicContact CG-CD1 4.45Å; K126-L129 WeakPolarHBondContact O-CB 3.48Å; K126-L129 PolarHBondContact O-N 2.89Å; K126-C167 PolarHBondContact N-O 3.31Å
127T98.6Very high97.6Very high29 Ų2953.2 Ų53.218%0.17827%0.272CS..G310 helixtrans-61-21.8-174.955.50000114.4L129 R130 E166 C167 S168T127-L129 PolarHBondContact O-N 2.93Å; T127-R130 VanDerWaalsContact O-CB 3.28Å; T127-R130 WeakPolarHBondContact O-CB 3.5Å; T127-R130 PolarHBondContact O-N 3.21Å; T127-E166 HydrophobicContact CG2-CB 3.7Å; T127-E166 HydrophobicContact CG2-CG 3.9Å; T127-E166 WeakPolarHBondContact CG2-OE2 3.27Å; T127-C167 WeakPolarHBondContact CG2-O 3.34Å; T127-C167 PolarHBondContact N-O 3.11Å; T127-C167 PolarHBondContact OG1-O 2.87Å; T127-S168 WeakPolarHBondContact OG1-CB 3.43Å; T127-S168 PolarHBondContact OG1-N 3.04Å
128D98.4Very high97.8Very high34 Ų3451.7 Ų51.718%0.18226%0.26CS..G310 helixtrans-56.4-33.8170.451-71.8000113K126 R130 T131 S168 T171K126-D128 WeakPolarHBondContact CA-OD1 3.45Å; K126-D128 PolarHBondContact O-N 2.94Å; K126-D128 VanDerWaalsContact O-N 3.1Å; D128-R130 PolarHBondContact O-N 3.31Å; D128-T131 PolarHBondContact O-N 3.27Å; D128-T131 PolarHBondContact O-OG1 2.75Å; D128-T131 VanDerWaalsContact O-OG1 3.14Å; D128-S168 VanDerWaalsContact CG-OG 3.23Å; D128-S168 WeakPolarHBondContact OD1-CB 3.3Å; D128-S168 PolarHBondContact OD1-OG 3.14Å; D128-T171 HydrophobicContact CB-CG2 3.68Å
129L98.4Very high97.9Very high36 Ų3651 Ų5119%0.18826%0.256CS..G310 helixtrans-72.2-9.9-179.3-59.9-177.6000113.7S95 K126 T127 T131 D132 T135S95-L129 WeakPolarHBondContact OG-CD1 3.27Å; K126-L129 HydrophobicContact CB-CD1 3.79Å; K126-L129 HydrophobicContact CB-CG 4.07Å; K126-L129 HydrophobicContact CD-CD1 3.76Å; K126-L129 HydrophobicContact CG-CD1 4.45Å; K126-L129 WeakPolarHBondContact O-CB 3.48Å; K126-L129 PolarHBondContact O-N 2.89Å; T127-L129 PolarHBondContact O-N 2.93Å; L129-T131 PolarHBondContact O-N 3.4Å; L129-D132 HydrophobicContact CD2-CB 4.05Å; L129-D132 PolarHBondContact O-N 3.44Å; L129-T135 HydrophobicContact CB-CG2 4.27Å
130R97.9Very high98Very high67 Ų6751 Ų5125%0.25327%0.268SS..G310 helixtrans-64.1-33.1174.2-168.5173.8-68.5127.7-10.1111.8I94 T127 D128 R136 P146 V147 E166I94-R130 HydrophobicContact CD1-CB 3.67Å; T127-R130 VanDerWaalsContact O-CB 3.28Å; T127-R130 WeakPolarHBondContact O-CB 3.5Å; T127-R130 PolarHBondContact O-N 3.21Å; D128-R130 PolarHBondContact O-N 3.31Å; R130-R136 WeakPolarHBondContact O-CD 3.42Å; R130-P146 HydrophobicContact CB-CB 4.49Å; R130-P146 HydrophobicContact CG-CB 4.3Å; R130-V147 PolarHBondContact NE-O 3.3Å; R130-V147 PolarHBondContact NH2-O 2.91Å; R130-E166 IonicContact CZ-OE1 3.91Å; R130-E166 IonicContact CZ-OE2 3.34Å; R130-E166 IonicContact NH1-OE2 2.82Å; R130-E166 PolarHBondContact NH1-OE2 3.15Å; R130-E166 IonicContact NH2-OE1 2.95Å; R130-E166 PolarHBondContact NH2-OE1 2.91Å; R130-E166 IonicContact NH2-OE2 2.94Å; R130-E166 PolarHBondContact NH2-OE2 3.5Å
131T97.3Very high98Very high108 Ų10856.7 Ų56.766%0.66330%0.298SS*.THydrogen-bonded Turntrans-101.3-6.3178.947.80000113.3D128 L129 V133D128-T131 PolarHBondContact O-N 3.27Å; D128-T131 PolarHBondContact O-OG1 2.75Å; D128-T131 VanDerWaalsContact O-OG1 3.14Å; L129-T131 PolarHBondContact O-N 3.4Å; T131-V133 PolarHBondContact O-N 3.45Å
132D98.1Very high97.9Very high57 Ų5762.8 Ų62.831%0.30533%0.327SS..  trans-66.1129.7177.9176.354.8000111.4L129 C134 T135 R136L129-D132 HydrophobicContact CD2-CB 4.05Å; L129-D132 PolarHBondContact O-N 3.44Å; D132-C134 PolarHBondContact OD2-N 3.27Å; D132-T135 VanDerWaalsContact OD2-CB 3.27Å; D132-T135 WeakPolarHBondContact OD2-CB 3.4Å; D132-T135 PolarHBondContact OD2-N 2.8Å; D132-T135 PolarHBondContact OD2-OG1 2.8Å; D132-R136 WeakPolarHBondContact O-CB 3.41Å; D132-R136 WeakPolarHBondContact O-CG 3.46Å; D132-R136 PolarHBondContact O-N 3.01Å; D132-R136 VanDerWaalsContact O-N 3.13Å
133V97.9Very high97.9Very high91 Ų9172.5 Ų72.555%0.55237%0.369SS*.Hα-helixtrans-71.1-41.8-172.5-1800000110.6T131 R136 M137T131-V133 PolarHBondContact O-N 3.45Å; V133-R136 PolarHBondContact O-N 3.34Å; V133-M137 HydrophobicContact CG1-CE 3.33Å; V133-M137 WeakPolarHBondContact O-CG 3.46Å; V133-M137 PolarHBondContact O-N 2.77Å
134C97.7Very high97.8Very high78 Ų7876.5 Ų76.553%0.52739%0.388SS..Hα-helixtrans-63-51.1179.8-71.20000111.1D132 R136 M137 E138D132-C134 PolarHBondContact OD2-N 3.27Å; C134-R136 VanDerWaalsContact C-N 3.29Å; C134-R136 PolarHBondContact O-N 3.42Å; C134-M137 PolarHBondContact O-N 2.74Å; C134-M137 VanDerWaalsContact O-N 3.12Å; C134-E138 WeakPolarHBondContact O-CG 3.39Å; C134-E138 PolarHBondContact O-N 2.96Å
135T97.7Very high97.8Very high17 Ų1779.5 Ų79.510%0.10441%0.412CS..Hα-helixtrans-54-46.5176.3-59.30000111.4L129 D132 E138 L139 P146L129-T135 HydrophobicContact CB-CG2 4.27Å; D132-T135 VanDerWaalsContact OD2-CB 3.27Å; D132-T135 WeakPolarHBondContact OD2-CB 3.4Å; D132-T135 PolarHBondContact OD2-N 2.8Å; D132-T135 PolarHBondContact OD2-OG1 2.8Å; T135-E138 PolarHBondContact O-N 2.83Å; T135-L139 HydrophobicContact CG2-CD1 3.91Å; T135-L139 WeakPolarHBondContact O-CB 3.21Å; T135-L139 WeakPolarHBondContact O-CG 3.42Å; T135-L139 PolarHBondContact O-N 3.02Å; T135-P146 HydrophobicContact CG2-CG 4.38Å
136R97.6Very high97.7Very high148 Ų14880.2 Ų80.256%0.55842%0.417SS*.Hα-helixtrans-65.3-39.8179.5-73175.968.4170.62.7112.6R130 D132 V133 C134 S140 P146R130-R136 WeakPolarHBondContact O-CD 3.42Å; D132-R136 WeakPolarHBondContact O-CB 3.41Å; D132-R136 WeakPolarHBondContact O-CG 3.46Å; D132-R136 PolarHBondContact O-N 3.01Å; D132-R136 VanDerWaalsContact O-N 3.13Å; V133-R136 PolarHBondContact O-N 3.34Å; C134-R136 VanDerWaalsContact C-N 3.29Å; C134-R136 PolarHBondContact O-N 3.42Å; R136-S140 VanDerWaalsContact O-CB 3.24Å; R136-S140 WeakPolarHBondContact O-CB 3.39Å; R136-S140 PolarHBondContact O-N 3.43Å; R136-P146 HydrophobicContact CG-CG 4.12Å
137M97.8Very high97.7Very high117 Ų11778.1 Ų78.158%0.57641%0.408SS*.Hα-helixtrans-65.2-46.4176.5-73.3-161.1-12800111.5V133 C134 L139 S140 N141V133-M137 HydrophobicContact CG1-CE 3.33Å; V133-M137 WeakPolarHBondContact O-CG 3.46Å; V133-M137 PolarHBondContact O-N 2.77Å; C134-M137 PolarHBondContact O-N 2.74Å; C134-M137 VanDerWaalsContact O-N 3.12Å; M137-L139 PolarHBondContact O-N 2.93Å; M137-S140 PolarHBondContact O-N 3.44Å; M137-N141 PolarHBondContact O-N 3.08Å; M137-N141 PolarHBondContact O-ND2 3.46Å
138E97.4Very high97.7Very high125 Ų12578.3 Ų78.358%0.58441%0.411SS*.Hα-helixtrans-60.3-46179.4-72.7177.8-172.400112.2C134 T135 N141C134-E138 WeakPolarHBondContact O-CG 3.39Å; C134-E138 PolarHBondContact O-N 2.96Å; T135-E138 PolarHBondContact O-N 2.83Å; E138-N141 WeakPolarHBondContact O-CB 3.45Å; E138-N141 PolarHBondContact O-N 2.85Å
139L97.4Very high97.7Very high12 Ų1281.1 Ų81.16%0.06342%0.423CS..Hα-helixtrans-67.1-38.5176.2-71.1170.6000112S95 P97 T135 M137 N141 Q142 K143 Q144 P146S95-L139 WeakPolarHBondContact O-CD1 3.28Å; P97-L139 HydrophobicContact CG-CD2 4.28Å; T135-L139 HydrophobicContact CG2-CD1 3.91Å; T135-L139 WeakPolarHBondContact O-CB 3.21Å; T135-L139 WeakPolarHBondContact O-CG 3.42Å; T135-L139 PolarHBondContact O-N 3.02Å; M137-L139 PolarHBondContact O-N 2.93Å; L139-N141 VanDerWaalsContact C-N 3.27Å; L139-N141 PolarHBondContact O-N 2.94Å; L139-Q142 CarbonylContact O-C 3.27Å; L139-Q142 WeakPolarHBondContact O-CA 3.44Å; L139-Q142 WeakPolarHBondContact O-CB 3.44Å; L139-Q142 PolarHBondContact O-N 2.84Å; L139-K143 PolarHBondContact O-N 3.24Å; L139-Q144 CarbonylContact C-O 3.22Å; L139-Q144 VanDerWaalsContact C-O 3.22Å; L139-Q144 HydrophobicContact CB-CB 4.23Å; L139-Q144 HydrophobicContact CD2-CB 4.1Å; L139-Q144 PolarHBondContact O-N 3.04Å; L139-P146 HydrophobicContact CD1-CB 4.3Å; L139-P146 HydrophobicContact CD1-CG 3.68Å
140S97.3Very high97.8Very high78 Ų7885.8 Ų85.855%0.54544%0.444SS..Hα-helixtrans-62.1-35.9177.3-173.80000111.9R136 M137 Q142 K143 Q144R136-S140 VanDerWaalsContact O-CB 3.24Å; R136-S140 WeakPolarHBondContact O-CB 3.39Å; R136-S140 PolarHBondContact O-N 3.43Å; M137-S140 PolarHBondContact O-N 3.44Å; S140-Q142 PolarHBondContact O-N 3.15Å; S140-K143 PolarHBondContact O-N 3.44Å; S140-Q144 PolarHBondContact N-O 3.47Å
141N97Very high97.8Very high138 Ų13887.7 Ų87.774%0.73846%0.456SS*.Hα-helixtrans-61.4-26174.4-69.8-23.3000112.1M137 E138 L139M137-N141 PolarHBondContact O-N 3.08Å; M137-N141 PolarHBondContact O-ND2 3.46Å; E138-N141 WeakPolarHBondContact O-CB 3.45Å; E138-N141 PolarHBondContact O-N 2.85Å; L139-N141 VanDerWaalsContact C-N 3.27Å; L139-N141 PolarHBondContact O-N 2.94Å
142Q96.7Very high97.8Very high129 Ų12982.6 Ų82.660%0.60342%0.424SS*.THydrogen-bonded Turntrans-96.17.7176.2-57.3177.836.900112.8L139 S140 Q144L139-Q142 CarbonylContact O-C 3.27Å; L139-Q142 WeakPolarHBondContact O-CA 3.44Å; L139-Q142 WeakPolarHBondContact O-CB 3.44Å; L139-Q142 PolarHBondContact O-N 2.84Å; S140-Q142 PolarHBondContact O-N 3.15Å; Q142-Q144 HydrophobicContact CB-CG 4.42Å; Q142-Q144 PolarHBondContact O-N 3.06Å
143K97.3Very high97.8Very high204 Ų20481.6 Ų81.689%0.88742%0.422SS*.THydrogen-bonded Turntrans57.832.9-173.6-53.7178.8-179.2178.40113.2L139 S140L139-K143 PolarHBondContact O-N 3.24Å; S140-K143 PolarHBondContact O-N 3.44Å
144Q97.5Very high97.8Very high84 Ų8480.6 Ų80.639%0.39342%0.419SS..  trans-117.6170.9177-65.5-175.82.200110.6P97 L139 S140 Q142P97-Q144 HydrophobicContact CG-CB 4.44Å; L139-Q144 CarbonylContact C-O 3.22Å; L139-Q144 VanDerWaalsContact C-O 3.22Å; L139-Q144 HydrophobicContact CB-CB 4.23Å; L139-Q144 HydrophobicContact CD2-CB 4.1Å; L139-Q144 PolarHBondContact O-N 3.04Å; S140-Q144 PolarHBondContact N-O 3.47Å; Q142-Q144 HydrophobicContact CB-CG 4.42Å; Q142-Q144 PolarHBondContact O-N 3.06Å
145A97.8Very high97.8Very high63 Ų6377.3 Ų77.352%0.52140%0.396SS..  trans-140.9157.6172.800000109.2
146P98.4Very high97.9Very high17 Ų1776.7 Ų76.711%0.1139%0.393CS..PPolyproline II helixtrans-56.1146.4171.7-21.931.4000110.9I94 R130 T135 R136 L139 S148I94-P146 HydrophobicContact CD1-CB 4.49Å; I94-P146 CarbonylContact O-C 3.38Å; I94-P146 VanDerWaalsContact O-CA 3.26Å; I94-P146 WeakPolarHBondContact O-CA 3.39Å; R130-P146 HydrophobicContact CB-CB 4.49Å; R130-P146 HydrophobicContact CG-CB 4.3Å; T135-P146 HydrophobicContact CG2-CG 4.38Å; R136-P146 HydrophobicContact CG-CG 4.12Å; L139-P146 HydrophobicContact CD1-CB 4.3Å; L139-P146 HydrophobicContact CD1-CG 3.68Å; P146-S148 PolarHBondContact O-N 3.08Å
147V98.4Very high97.9Very high8 Ų878 Ų785%0.04840%0.402CS..PPolyproline II helixtrans-62.6122.8-177.9-175.20000109.8F92 I94 V100 R130 Q151F92-V147 HydrophobicContact CE2-CB 4.02Å; F92-V147 HydrophobicContact CE2-CG1 3.88Å; F92-V147 HydrophobicContact CE2-CG2 4.07Å; F92-V147 HydrophobicContact CZ-CG1 4.18Å; I94-V147 HydrophobicContact CB-CB 4.28Å; I94-V147 PolarHBondContact O-N 2.94Å; V100-V147 HydrophobicContact CG2-CG2 3.83Å; R130-V147 PolarHBondContact NE-O 3.3Å; R130-V147 PolarHBondContact NH2-O 2.91Å; V147-Q151 HydrophobicContact CG1-CB 3.83Å
148S98.6Very high97.8Very high33 Ų3378 Ų7823%0.23140%0.401CS..PPolyproline II helixtrans-75.4164.5176.493.90000111.4P146 E150 Q151 G152P146-S148 PolarHBondContact O-N 3.08Å; S148-E150 VanDerWaalsContact C-N 3.3Å; S148-E150 WeakPolarHBondContact CB-OE2 3.31Å; S148-E150 PolarHBondContact O-N 2.96Å; S148-E150 PolarHBondContact OG-N 2.8Å; S148-E150 PolarHBondContact OG-OE2 3.26Å; S148-Q151 PolarHBondContact O-N 3Å; S148-Q151 PolarHBondContact OG-N 3.26Å; S148-G152 PolarHBondContact O-N 3.47Å
149H98.4Very high97.7Very high94 Ų9472.3 Ų72.344%0.43538%0.375SS..Hα-helixtrans-60.7-43.4175.8-173.971.6000111.5Q151 G152 S153 Y164 E166H149-Q151 VanDerWaalsContact C-N 3.34Å; H149-Q151 PolarHBondContact O-N 2.64Å; H149-G152 PolarHBondContact O-N 2.99Å; H149-S153 PolarHBondContact O-N 2.98Å; H149-S153 PolarHBondContact O-OG 3.16Å; H149-S153 VanDerWaalsContact O-OG 3.12Å; H149-Y164 AromaticContact CE1-CD1 3.78Å; H149-Y164 AromaticContact CE1-CE1 3.83Å; H149-Y164 AromaticContact ND1-CD1 3.95Å; H149-Y164 AromaticContact ND1-CE1 3.51Å; H149-Y164 WeakPolarHBondContact O-CE1 3.47Å; H149-E166 WeakPolarHBondContact CA-OE1 3.48Å; H149-E166 IonicContact CG-OE1 3.86Å; H149-E166 IonicContact ND1-OE1 3.23Å; H149-E166 PolarHBondContact ND1-OE1 3.16Å
150E98.5Very high97.6Very high133 Ų13374.6 Ų74.662%0.62140%0.401SS*.Hα-helixtrans-63.6-39.5180-56.973.3-158.400111.7S148 S153 S154S148-E150 VanDerWaalsContact C-N 3.3Å; S148-E150 WeakPolarHBondContact CB-OE2 3.31Å; S148-E150 PolarHBondContact O-N 2.96Å; S148-E150 PolarHBondContact OG-N 2.8Å; S148-E150 PolarHBondContact OG-OE2 3.26Å; E150-S153 PolarHBondContact O-N 2.93Å; E150-S154 WeakPolarHBondContact O-CB 3.18Å; E150-S154 PolarHBondContact O-N 2.99Å
151Q98.3Very high97.6Very high108 Ų10871.6 Ų71.651%0.50538%0.381SS..Hα-helixtrans-63.2-45.3174.6-71.2176.7-42.200111V147 S148 H149 S154 L155V147-Q151 HydrophobicContact CG1-CB 3.83Å; S148-Q151 PolarHBondContact O-N 3Å; S148-Q151 PolarHBondContact OG-N 3.26Å; H149-Q151 VanDerWaalsContact C-N 3.34Å; H149-Q151 PolarHBondContact O-N 2.64Å; Q151-S154 PolarHBondContact O-N 2.52Å; Q151-L155 VanDerWaalsContact O-CB 3.31Å; Q151-L155 WeakPolarHBondContact O-CB 3.47Å; Q151-L155 PolarHBondContact O-N 2.96Å
152G98.3Very high97.6Very high0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-63.4-41.5175.400000113.3L122 S148 H149 S154 L155 A156L122-G152 WeakPolarHBondContact CD2-O 3.36Å; S148-G152 PolarHBondContact O-N 3.47Å; H149-G152 PolarHBondContact O-N 2.99Å; G152-S154 PolarHBondContact O-N 3.49Å; G152-L155 WeakPolarHBondContact O-CB 3.14Å; G152-L155 PolarHBondContact O-N 3.42Å; G152-A156 PolarHBondContact O-N 3.23Å
153S98.3Very high97.5Very high36 Ų3665.3 Ų65.325%0.25235%0.352SS..Hα-helixtrans-63.1-40174.1-59.80000112.5H149 E150 K157H149-S153 PolarHBondContact O-N 2.98Å; H149-S153 PolarHBondContact O-OG 3.16Å; H149-S153 VanDerWaalsContact O-OG 3.12Å; E150-S153 PolarHBondContact O-N 2.93Å; S153-K157 PolarHBondContact O-N 2.92Å
154S98.3Very high97.6Very high71 Ų7156.8 Ų56.850%0.49731%0.314SS..Hα-helixtrans-65.1-43.7175.1-171.50000111.3E150 Q151 G152 A156 K157 Q158E150-S154 WeakPolarHBondContact O-CB 3.18Å; E150-S154 PolarHBondContact O-N 2.99Å; Q151-S154 PolarHBondContact O-N 2.52Å; G152-S154 PolarHBondContact O-N 3.49Å; S154-A156 PolarHBondContact O-N 2.85Å; S154-K157 WeakPolarHBondContact O-CB 3.35Å; S154-K157 PolarHBondContact O-N 2.58Å; S154-Q158 PolarHBondContact O-N 3.17Å
155L97.9Very high97.6Very high8 Ų854.2 Ų54.24%0.04230%0.303CS..Hα-helixtrans-59.6-43.6176.3176.560.9000111.8F92 V100 L104 L122 Q151 G152 K157 Q158 L159F92-L155 HydrophobicContact CD1-CD2 4.47Å; F92-L155 HydrophobicContact CE1-CD2 4.22Å; F92-L155 HydrophobicContact CZ-CD2 4.49Å; V100-L155 HydrophobicContact CB-CD2 4.11Å; V100-L155 HydrophobicContact CG1-CD1 3.97Å; V100-L155 HydrophobicContact CG1-CD2 3.46Å; V100-L155 VanDerWaalsContact CG1-CD2 3.46Å; V100-L155 HydrophobicContact CG1-CG 4.31Å; V100-L155 HydrophobicContact CG2-CD2 3.85Å; L104-L155 HydrophobicContact CD1-CD1 3.94Å; L104-L155 HydrophobicContact CD2-CD1 3.55Å; L104-L155 HydrophobicContact CG-CD1 3.57Å; L122-L155 HydrophobicContact CD1-CD2 4.48Å; L122-L155 HydrophobicContact CD2-CB 4Å; L122-L155 HydrophobicContact CD2-CD2 3.84Å; L122-L155 HydrophobicContact CD2-CG 3.67Å; Q151-L155 VanDerWaalsContact O-CB 3.31Å; Q151-L155 WeakPolarHBondContact O-CB 3.47Å; Q151-L155 PolarHBondContact O-N 2.96Å; G152-L155 WeakPolarHBondContact O-CB 3.14Å; G152-L155 PolarHBondContact O-N 3.42Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.98Å; L155-Q158 PolarHBondContact O-N 3.21Å; L155-Q158 VanDerWaalsContact O-N 3.16Å; L155-L159 HydrophobicContact CD1-CD1 3.89Å; L155-L159 HydrophobicContact CD1-CG 4.02Å; L155-L159 HydrophobicContact CG-CD1 3.83Å; L155-L159 HydrophobicContact CG-CG 4.37Å; L155-L159 WeakPolarHBondContact O-CB 3.33Å; L155-L159 VanDerWaalsContact O-CG 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 3.05Å
156A98Very high97.7Very high5 Ų553.2 Ų53.24%0.04129%0.288CS..Hα-helixtrans-58.1-43.9176.100000112.2L122 G152 S154 Q158 L159 G160 A161L122-A156 HydrophobicContact CB-CB 4.1Å; L122-A156 HydrophobicContact CD2-CB 3.79Å; G152-A156 PolarHBondContact O-N 3.23Å; S154-A156 PolarHBondContact O-N 2.85Å; A156-Q158 PolarHBondContact O-N 2.97Å; A156-L159 PolarHBondContact O-N 2.84Å; A156-G160 PolarHBondContact O-N 3.5Å; A156-A161 HydrophobicContact CB-CB 4.11Å; A156-A161 PolarHBondContact O-N 2.92Å
157K97.5Very high97.7Very high174 Ų17452.5 Ų52.576%0.75728%0.283SS*.Hα-helixtrans-62.1-43.3175.5-67175.1-178.6177.60111.7S153 S154 L155 L159 G160S153-K157 PolarHBondContact O-N 2.92Å; S154-K157 WeakPolarHBondContact O-CB 3.35Å; S154-K157 PolarHBondContact O-N 2.58Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.98Å; K157-L159 VanDerWaalsContact C-N 3.3Å; K157-L159 PolarHBondContact O-N 2.99Å; K157-G160 PolarHBondContact O-N 2.71Å; K157-G160 VanDerWaalsContact O-N 3.16Å
158Q96.3Very high97.7Very high119 Ų11952.1 Ų52.156%0.55628%0.28SS*.Hα-helixtrans-65-34.6177.7-171.4-178.7-2.100112.6L104 K108 S154 L155 A156 G160L104-Q158 HydrophobicContact CD2-CG 3.96Å; K108-Q158 PolarHBondContact NZ-O 2.99Å; S154-Q158 PolarHBondContact O-N 3.17Å; L155-Q158 PolarHBondContact O-N 3.21Å; L155-Q158 VanDerWaalsContact O-N 3.16Å; A156-Q158 PolarHBondContact O-N 2.97Å; Q158-G160 VanDerWaalsContact C-N 3.3Å
159L95.9Very high97.6Very high5 Ų551.2 Ų51.23%0.02628%0.275CS..Hα-helixtrans-75.5-19.7175.8-69.9171.8000112.7L90 A103 L104 K108 L122 L155 A156 K157 A161L90-L159 HydrophobicContact CD2-CD1 3.93Å; L90-L159 HydrophobicContact CD2-CD2 4.5Å; A103-L159 HydrophobicContact CB-CD1 4.42Å; L104-L159 HydrophobicContact CD2-CD2 3.76Å; L104-L159 HydrophobicContact CD2-CG 4.17Å; L104-L159 HydrophobicContact CG-CD2 4.44Å; K108-L159 HydrophobicContact CB-CD2 3.85Å; K108-L159 HydrophobicContact CD-CD2 3.83Å; K108-L159 VanDerWaalsContact CE-O 3.23Å; K108-L159 WeakPolarHBondContact CE-O 3.41Å; K108-L159 HydrophobicContact CG-CD2 4.09Å; L122-L159 HydrophobicContact CD1-CD1 3.61Å; L122-L159 HydrophobicContact CD2-CD1 4.05Å; L122-L159 HydrophobicContact CG-CD1 4.31Å; L155-L159 HydrophobicContact CD1-CD1 3.89Å; L155-L159 HydrophobicContact CD1-CG 4.02Å; L155-L159 HydrophobicContact CG-CD1 3.83Å; L155-L159 HydrophobicContact CG-CG 4.37Å; L155-L159 WeakPolarHBondContact O-CB 3.33Å; L155-L159 VanDerWaalsContact O-CG 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 3.05Å; A156-L159 PolarHBondContact O-N 2.84Å; K157-L159 VanDerWaalsContact C-N 3.3Å; K157-L159 PolarHBondContact O-N 2.99Å; L159-A161 VanDerWaalsContact C-N 3.3Å
160G95.8Very high97.6Very high59 Ų5953 Ų5361%0.60828%0.282SS*.THydrogen-bonded Turntrans73.425.7-169.500000112.3A156 K157 Q158A156-G160 PolarHBondContact O-N 3.5Å; K157-G160 PolarHBondContact O-N 2.71Å; K157-G160 VanDerWaalsContact O-N 3.16Å; Q158-G160 VanDerWaalsContact C-N 3.3Å
161A97Very high97.5Very high16 Ų1651 Ų5113%0.13228%0.279CS..  trans-73.4144.2174.800000110.5I120 L122 A156 L159 A163I120-A161 HydrophobicContact CB-CB 4.38Å; I120-A161 HydrophobicContact CG2-CB 4.15Å; I120-A161 CarbonylContact O-C 3.55Å; I120-A161 VanDerWaalsContact O-CA 3.26Å; I120-A161 WeakPolarHBondContact O-CA 3.37Å; I120-A161 WeakPolarHBondContact O-CB 3.28Å; L122-A161 HydrophobicContact CB-CB 4.03Å; A156-A161 HydrophobicContact CB-CB 4.11Å; A156-A161 PolarHBondContact O-N 2.92Å; L159-A161 VanDerWaalsContact C-N 3.3Å; A161-A163 VanDerWaalsContact C-N 3.32Å; A161-A163 PolarHBondContact O-N 3.37Å
162E95.6Very high97.4Very high108 Ų10848 Ų4851%0.50527%0.27SS..SBendtrans-68.8-33.1-178.8-176.8173.3176.600111.8R119 I120 L121R119-E162 WeakPolarHBondContact CD-OE2 3.47Å; R119-E162 WeakPolarHBondContact CG-OE2 3.33Å; R119-E162 IonicContact NE-OE2 3.52Å; I120-E162 PolarHBondContact O-N 2.94Å; L121-E162 HydrophobicContact CD2-CB 4.1Å
163A96Very high97.2Very high27 Ų2752.5 Ų52.522%0.22329%0.291CS..EExtended strand (participates in β ladder)trans-149.7157.9175.700000111.8L121 L122 A161L121-A163 HydrophobicContact CD2-CB 3.83Å; L122-A163 PolarHBondContact N-O 3.12Å; A161-A163 VanDerWaalsContact C-N 3.32Å; A161-A163 PolarHBondContact O-N 3.37Å
164Y98.5Very high97.2Very high25 Ų2559.4 Ų59.410%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-107.5127.4163.6178.1-127000109.2F92 L122 H149 E166F92-Y164 AromaticContact CE1-CE2 3.71Å; F92-Y164 HydrophobicContact CE1-CE2 3.71Å; F92-Y164 AromaticContact CZ-CE2 3.83Å; F92-Y164 HydrophobicContact CZ-CE2 3.83Å; L122-Y164 HydrophobicContact CB-CD2 4.21Å; L122-Y164 HydrophobicContact CD2-CD2 3.74Å; L122-Y164 HydrophobicContact CD2-CE2 4.21Å; L122-Y164 HydrophobicContact CG-CD2 3.9Å; L122-Y164 HydrophobicContact CG-CE2 4.34Å; L122-Y164 WeakPolarHBondContact O-CA 3.42Å; L122-Y164 WeakPolarHBondContact O-CD2 3.5Å; H149-Y164 AromaticContact CE1-CD1 3.78Å; H149-Y164 AromaticContact CE1-CE1 3.83Å; H149-Y164 AromaticContact ND1-CD1 3.95Å; H149-Y164 AromaticContact ND1-CE1 3.51Å; H149-Y164 WeakPolarHBondContact O-CE1 3.47Å; Y164-E166 HydrophobicContact CE1-CG 3.75Å; Y164-E166 WeakPolarHBondContact CE1-OE1 3.33Å; Y164-E166 HydrophobicContact CE2-CG 4.19Å; Y164-E166 VanDerWaalsContact CZ-CG 3.44Å; Y164-E166 VanDerWaalsContact CZ-OE1 3.23Å; Y164-E166 VanDerWaalsContact OH-CD 3.22Å; Y164-E166 WeakPolarHBondContact OH-CG 3.26Å; Y164-E166 PolarHBondContact OH-OE1 3Å
165L98.6Very high97.1Very high30 Ų3057 Ų5716%0.15730%0.299CS..EExtended strand (participates in β ladder)trans-129.2154.8177-56.7168.5000109.7L122 I123 G124 V179 T182L122-L165 PolarHBondContact O-N 3.38Å; I123-L165 CarbonylContact C-O 3.57Å; I123-L165 WeakPolarHBondContact CA-O 3.41Å; I123-L165 HydrophobicContact CD1-CB 3.9Å; I123-L165 HydrophobicContact CD1-CD1 4.08Å; I123-L165 HydrophobicContact CD1-CG 4.42Å; G124-L165 PolarHBondContact N-O 3.18Å; L165-V179 HydrophobicContact CB-CG2 3.96Å; L165-V179 HydrophobicContact CD1-CG1 4.43Å; L165-T182 HydrophobicContact CD1-CG2 3.8Å; L165-T182 HydrophobicContact CD2-CG2 4.18Å
166E98.6Very high97.2Very high42 Ų4256.6 Ų56.620%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-130.8140.7-175.5-90.5-168.2-156.500110.2G124 T127 R130 H149 Y164G124-E166 WeakPolarHBondContact O-CA 3.33Å; T127-E166 HydrophobicContact CG2-CB 3.7Å; T127-E166 HydrophobicContact CG2-CG 3.9Å; T127-E166 WeakPolarHBondContact CG2-OE2 3.27Å; R130-E166 IonicContact CZ-OE1 3.91Å; R130-E166 IonicContact CZ-OE2 3.34Å; R130-E166 IonicContact NH1-OE2 2.82Å; R130-E166 PolarHBondContact NH1-OE2 3.15Å; R130-E166 IonicContact NH2-OE1 2.95Å; R130-E166 PolarHBondContact NH2-OE1 2.91Å; R130-E166 IonicContact NH2-OE2 2.94Å; R130-E166 PolarHBondContact NH2-OE2 3.5Å; H149-E166 WeakPolarHBondContact CA-OE1 3.48Å; H149-E166 IonicContact CG-OE1 3.86Å; H149-E166 IonicContact ND1-OE1 3.23Å; H149-E166 PolarHBondContact ND1-OE1 3.16Å; Y164-E166 HydrophobicContact CE1-CG 3.75Å; Y164-E166 WeakPolarHBondContact CE1-OE1 3.33Å; Y164-E166 HydrophobicContact CE2-CG 4.19Å; Y164-E166 VanDerWaalsContact CZ-CG 3.44Å; Y164-E166 VanDerWaalsContact CZ-OE1 3.23Å; Y164-E166 VanDerWaalsContact OH-CD 3.22Å; Y164-E166 WeakPolarHBondContact OH-CG 3.26Å; Y164-E166 PolarHBondContact OH-OE1 3Å
167C98.6Very high97.1Very high1 Ų158.6 Ų58.61%0.00731%0.306CS..EExtended strand (participates in β ladder)trans-149.6156.2177.764.70000113.7G124 C125 K126 T127 S175 I176 V179G124-C167 PolarHBondContact O-N 3.21Å; C125-C167 CarbonylContact C-O 3.24Å; K126-C167 PolarHBondContact N-O 3.31Å; T127-C167 WeakPolarHBondContact CG2-O 3.34Å; T127-C167 PolarHBondContact N-O 3.11Å; T127-C167 PolarHBondContact OG1-O 2.87Å; C167-S175 WeakPolarHBondContact CA-OG 3.2Å; C167-S175 WeakPolarHBondContact CB-OG 3.28Å; C167-I176 HydrophobicContact CB-CD1 3.71Å; C167-V179 HydrophobicContact CB-CG2 3.92Å
168S98.4Very high97Very high0 Ų053.4 Ų53.40%029%0.291CS..  trans-124.3105.6167.1174.40000108.2T127 D128 F170 T171 S172 S175T127-S168 WeakPolarHBondContact OG1-CB 3.43Å; T127-S168 PolarHBondContact OG1-N 3.04Å; D128-S168 VanDerWaalsContact CG-OG 3.23Å; D128-S168 WeakPolarHBondContact OD1-CB 3.3Å; D128-S168 PolarHBondContact OD1-OG 3.14Å; S168-F170 PolarHBondContact O-N 3.31Å; S168-F170 PolarHBondContact OG-N 3.2Å; S168-T171 VanDerWaalsContact CB-OG1 3.27Å; S168-T171 WeakPolarHBondContact CB-OG1 3.35Å; S168-T171 PolarHBondContact OG-N 3.1Å; S168-T171 PolarHBondContact OG-OG1 2.68Å; S168-S172 CarbonylContact O-C 3.51Å; S168-S172 VanDerWaalsContact O-C 3.3Å; S168-S172 WeakPolarHBondContact O-CA 3.23Å; S168-S172 PolarHBondContact O-N 2.79Å; S168-S175 PolarHBondContact N-OG 2.82Å; S168-S175 PolarHBondContact O-OG 2.95Å
169A97.9Very high97.1Very high15 Ų1547.8 Ų47.812%0.12427%0.265CS..THydrogen-bonded Turntrans-64.9-24.717200000111.5A28 V32 Y38 I176A28-A169 HydrophobicContact CB-CB 3.97Å; V32-A169 HydrophobicContact CG2-CB 4.08Å; Y38-A169 HydrophobicContact CD2-CB 4.05Å; Y38-A169 WeakPolarHBondContact CD2-O 3.38Å; Y38-A169 HydrophobicContact CE2-CB 4.06Å; A169-I176 HydrophobicContact CB-CD1 3.87Å; A169-I176 HydrophobicContact CB-CG1 4.36Å
170F96.9Very high97.2Very high131 Ų13147.6 Ų47.658%0.57526%0.264SS*.THydrogen-bonded Turntrans-78.8-40.7-177.9-175.5-118.7000113Y38 S168Y38-F170 HydrophobicContact CD1-CD2 4.08Å; Y38-F170 HydrophobicContact CD2-CB 4.41Å; Y38-F170 HydrophobicContact CD2-CD2 4.5Å; Y38-F170 AromaticContact CE1-CD2 3.84Å; Y38-F170 HydrophobicContact CE1-CD2 3.84Å; Y38-F170 HydrophobicContact CE1-CE2 4.46Å; Y38-F170 HydrophobicContact CE2-CB 3.93Å; Y38-F170 HydrophobicContact CE2-CD2 4.26Å; Y38-F170 HydrophobicContact CG-CD2 4.4Å; Y38-F170 AromaticContact CZ-CD2 3.93Å; S168-F170 PolarHBondContact O-N 3.31Å; S168-F170 PolarHBondContact OG-N 3.2Å
171T96.6Very high97.2Very high92 Ų9251 Ų5156%0.56426%0.258SS*.THydrogen-bonded Turntrans-114.4-14.8-171.565.10000114.6D128 S168D128-T171 HydrophobicContact CB-CG2 3.68Å; S168-T171 VanDerWaalsContact CB-OG1 3.27Å; S168-T171 WeakPolarHBondContact CB-OG1 3.35Å; S168-T171 PolarHBondContact OG-N 3.1Å; S168-T171 PolarHBondContact OG-OG1 2.68Å
172S96.1Very high97.1Very high43 Ų4352.5 Ų52.530%0.30127%0.266SS..  trans-146.987.7-171.4-174.80000112.9S168 K174 S175 I176S168-S172 CarbonylContact O-C 3.51Å; S168-S172 VanDerWaalsContact O-C 3.3Å; S168-S172 WeakPolarHBondContact O-CA 3.23Å; S168-S172 PolarHBondContact O-N 2.79Å; S172-K174 PolarHBondContact O-N 3.34Å; S172-S175 WeakPolarHBondContact O-CB 3.39Å; S172-S175 PolarHBondContact O-N 3.06Å; S172-S175 PolarHBondContact O-OG 3.39Å; S172-S175 WeakPolarHBondContact OG-CB 3.27Å; S172-S175 PolarHBondContact OG-N 2.94Å; S172-I176 PolarHBondContact O-N 2.6Å
173E95.6Very high97.1Very high95 Ų9547.3 Ų47.344%0.44424%0.242SC..Hα-helixtrans-53.9-38.8169.3-165.2-157.1133.400111.7V32 S175 I176 H177V32-E173 HydrophobicContact CG1-CB 4.2Å; V32-E173 HydrophobicContact CG1-CG 3.7Å; E173-S175 PolarHBondContact O-N 3Å; E173-I176 WeakPolarHBondContact O-CA 3.44Å; E173-I176 VanDerWaalsContact O-CB 3.31Å; E173-I176 WeakPolarHBondContact O-CB 3.39Å; E173-I176 PolarHBondContact O-N 3.4Å; E173-H177 PolarHBondContact O-CD2 3.36Å; E173-H177 PolarHBondContact O-N 3.13Å; E173-H177 IonicContact OE1-CD2 3.02Å; E173-H177 PolarHBondContact OE1-CD2 3.38Å; E173-H177 IonicContact OE1-NE2 3.68Å; E173-H177 PolarHBondContact OE1-NE2 3.2Å
174K96.5Very high97Very high181 Ų18146 Ų4679%0.78723%0.232SC*.Hα-helixtrans-56.6-37.5175.4-69.1-177.7-178.8177.50112.7S172 I176 S178S172-K174 PolarHBondContact O-N 3.34Å; K174-I176 VanDerWaalsContact C-N 3.3Å; K174-I176 PolarHBondContact O-N 3.23Å; K174-S178 WeakPolarHBondContact O-CB 3.35Å; K174-S178 PolarHBondContact O-N 3.31Å
175S97.9Very high96.7Very high20 Ų2048.7 Ų48.714%0.1425%0.247CC..Hα-helixtrans-66.4-34.4176.874.40000112.1C167 S168 S172 E173 S178 V179C167-S175 WeakPolarHBondContact CA-OG 3.2Å; C167-S175 WeakPolarHBondContact CB-OG 3.28Å; S168-S175 PolarHBondContact N-OG 2.82Å; S168-S175 PolarHBondContact O-OG 2.95Å; S172-S175 WeakPolarHBondContact O-CB 3.39Å; S172-S175 PolarHBondContact O-N 3.06Å; S172-S175 PolarHBondContact O-OG 3.39Å; S172-S175 WeakPolarHBondContact OG-CB 3.27Å; S172-S175 PolarHBondContact OG-N 2.94Å; E173-S175 PolarHBondContact O-N 3Å; S175-S178 WeakPolarHBondContact O-CB 3.18Å; S175-S178 PolarHBondContact O-N 3.03Å; S175-V179 WeakPolarHBondContact O-CG2 3.4Å; S175-V179 PolarHBondContact O-N 2.82Å; S175-V179 VanDerWaalsContact O-N 3.08Å
176I98Very high96.3Very high0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-66.9-52.5176-56.7-63.3000110.3M29 V32 L33 C167 A169 S172 E173 K174 S178 V179 F180M29-I176 HydrophobicContact CB-CD1 4.06Å; M29-I176 HydrophobicContact CG-CD1 3.77Å; M29-I176 WeakPolarHBondContact O-CG2 3.22Å; V32-I176 HydrophobicContact CB-CG1 4.46Å; V32-I176 HydrophobicContact CG1-CB 4.35Å; V32-I176 HydrophobicContact CG1-CG1 4Å; V32-I176 HydrophobicContact CG1-CG2 4.46Å; L33-I176 HydrophobicContact CB-CG2 3.95Å; L33-I176 HydrophobicContact CD1-CG2 4.43Å; C167-I176 HydrophobicContact CB-CD1 3.71Å; A169-I176 HydrophobicContact CB-CD1 3.87Å; A169-I176 HydrophobicContact CB-CG1 4.36Å; S172-I176 PolarHBondContact O-N 2.6Å; E173-I176 WeakPolarHBondContact O-CA 3.44Å; E173-I176 VanDerWaalsContact O-CB 3.31Å; E173-I176 WeakPolarHBondContact O-CB 3.39Å; E173-I176 PolarHBondContact O-N 3.4Å; K174-I176 VanDerWaalsContact C-N 3.3Å; K174-I176 PolarHBondContact O-N 3.23Å; I176-S178 PolarHBondContact O-N 3.12Å; I176-V179 WeakPolarHBondContact O-CB 3.14Å; I176-V179 PolarHBondContact O-N 3.44Å; I176-V179 VanDerWaalsContact O-N 3.09Å; I176-F180 HydrophobicContact CG2-CD2 3.87Å; I176-F180 HydrophobicContact CG2-CE2 3.79Å; I176-F180 VanDerWaalsContact O-CD2 3.29Å; I176-F180 WeakPolarHBondContact O-CD2 3.48Å; I176-F180 PolarHBondContact O-N 2.91Å; I176-F180 VanDerWaalsContact O-N 3.14Å
177H96.5Very high95.8Very high47 Ų4745.7 Ų45.722%0.21823%0.234CC..Hα-helixtrans-56.8-38.6175.8-75.5-77000112.2E173 F180 R181E173-H177 PolarHBondContact O-CD2 3.36Å; E173-H177 PolarHBondContact O-N 3.13Å; E173-H177 IonicContact OE1-CD2 3.02Å; E173-H177 PolarHBondContact OE1-CD2 3.38Å; E173-H177 IonicContact OE1-NE2 3.68Å; E173-H177 PolarHBondContact OE1-NE2 3.2Å; H177-F180 PolarHBondContact O-N 3.44Å; H177-R181 WeakPolarHBondContact O-CB 3.26Å; H177-R181 VanDerWaalsContact O-CG 3.28Å; H177-R181 WeakPolarHBondContact O-CG 3.43Å; H177-R181 PolarHBondContact O-N 2.94Å
178S96.8Very high95.1Very high65 Ų6548.1 Ų48.146%0.45525%0.246SC..Hα-helixtrans-59.4-48.5174.9-171.30000112K174 S175 I176 F180 R181 T182K174-S178 WeakPolarHBondContact O-CB 3.35Å; K174-S178 PolarHBondContact O-N 3.31Å; S175-S178 WeakPolarHBondContact O-CB 3.18Å; S175-S178 PolarHBondContact O-N 3.03Å; I176-S178 PolarHBondContact O-N 3.12Å; S178-F180 PolarHBondContact O-N 2.84Å; S178-R181 PolarHBondContact O-N 3.29Å; S178-T182 PolarHBondContact O-N 2.92Å; S178-T182 PolarHBondContact O-OG1 3.05Å
179V98.1Very high94Very high2 Ų252.8 Ų52.81%0.01227%0.271CS..Hα-helixtrans-55.4-50.9177.3166.70000111.4M29 I123 L165 C167 S175 I176 T182 A183M29-V179 HydrophobicContact CE-CG1 3.93Å; I123-V179 HydrophobicContact CD1-CG1 3.81Å; I123-V179 HydrophobicContact CG1-CG1 4.44Å; I123-V179 HydrophobicContact CG2-CG1 4.44Å; I123-V179 HydrophobicContact CG2-CG2 4.44Å; L165-V179 HydrophobicContact CB-CG2 3.96Å; L165-V179 HydrophobicContact CD1-CG1 4.43Å; C167-V179 HydrophobicContact CB-CG2 3.92Å; S175-V179 WeakPolarHBondContact O-CG2 3.4Å; S175-V179 PolarHBondContact O-N 2.82Å; S175-V179 VanDerWaalsContact O-N 3.08Å; I176-V179 WeakPolarHBondContact O-CB 3.14Å; I176-V179 PolarHBondContact O-N 3.44Å; I176-V179 VanDerWaalsContact O-N 3.09Å; V179-T182 PolarHBondContact O-N 3.2Å; V179-A183 WeakPolarHBondContact O-CB 3.44Å; V179-A183 PolarHBondContact O-N 3.47Å
180F97.4Very high92.2Very high0 Ų058.1 Ų58.10%029%0.291CS..Hα-helixtrans-74-29.7-175.8-72.2-80.2000113.1L16 L18 M29 L30 L33 L54 L63 L65 L89 I176 H177 S178 A183 A184L16-F180 HydrophobicContact CD1-CD1 3.93Å; L16-F180 HydrophobicContact CD1-CE1 4.36Å; L18-F180 HydrophobicContact CD1-CE1 4.49Å; L18-F180 HydrophobicContact CD2-CZ 4.42Å; M29-F180 HydrophobicContact CB-CE2 4.32Å; M29-F180 HydrophobicContact CE-CE2 4.03Å; M29-F180 HydrophobicContact CE-CZ 4.19Å; L30-F180 HydrophobicContact CD2-CE1 4.04Å; L30-F180 HydrophobicContact CD2-CZ 3.71Å; L33-F180 HydrophobicContact CB-CD2 4.3Å; L33-F180 HydrophobicContact CB-CE2 4.21Å; L33-F180 HydrophobicContact CD1-CB 4.16Å; L33-F180 HydrophobicContact CD1-CD2 3.85Å; L33-F180 HydrophobicContact CD1-CG 4.16Å; L33-F180 HydrophobicContact CD2-CB 4.15Å; L33-F180 HydrophobicContact CD2-CD1 3.8Å; L33-F180 HydrophobicContact CD2-CD2 3.56Å; L33-F180 HydrophobicContact CD2-CE1 4.03Å; L33-F180 HydrophobicContact CD2-CE2 3.79Å; L33-F180 HydrophobicContact CD2-CG 3.56Å; L33-F180 HydrophobicContact CD2-CZ 4.03Å; L33-F180 HydrophobicContact CG-CD2 4.1Å; L33-F180 HydrophobicContact CG-CE2 4.42Å; L33-F180 HydrophobicContact CG-CG 4.43Å; L54-F180 HydrophobicContact CD1-CB 3.93Å; L54-F180 WeakPolarHBondContact CD1-O 3.39Å; L63-F180 HydrophobicContact CD1-CB 4.18Å; L63-F180 HydrophobicContact CD1-CD1 4.26Å; L65-F180 HydrophobicContact CD2-CD1 3.98Å; L65-F180 HydrophobicContact CD2-CE1 3.74Å; L89-F180 HydrophobicContact CD1-CD1 4.25Å; L89-F180 HydrophobicContact CD1-CE1 3.68Å; L89-F180 HydrophobicContact CD1-CZ 4.2Å; I176-F180 HydrophobicContact CG2-CD2 3.87Å; I176-F180 HydrophobicContact CG2-CE2 3.79Å; I176-F180 VanDerWaalsContact O-CD2 3.29Å; I176-F180 WeakPolarHBondContact O-CD2 3.48Å; I176-F180 PolarHBondContact O-N 2.91Å; I176-F180 VanDerWaalsContact O-N 3.14Å; H177-F180 PolarHBondContact O-N 3.44Å; S178-F180 PolarHBondContact O-N 2.84Å; F180-A183 PolarHBondContact O-N 3.48Å; F180-A184 WeakPolarHBondContact O-CB 3.45Å; F180-A184 PolarHBondContact O-N 3.47Å
181R95.3Very high89.6Confident130 Ų13059.4 Ų59.449%0.49130%0.303SS..Hα-helixtrans-64-46169.5-78.3-178.8-178-154.4-0.9111.6L54 L56 H177 S178 A183 A184 L185L54-R181 HydrophobicContact CD1-CG 4.12Å; L56-R181 HydrophobicContact CD2-CB 4.35Å; L56-R181 HydrophobicContact CD2-CG 4.22Å; H177-R181 WeakPolarHBondContact O-CB 3.26Å; H177-R181 VanDerWaalsContact O-CG 3.28Å; H177-R181 WeakPolarHBondContact O-CG 3.43Å; H177-R181 PolarHBondContact O-N 2.94Å; S178-R181 PolarHBondContact O-N 3.29Å; R181-A183 VanDerWaalsContact C-N 3.33Å; R181-A183 PolarHBondContact O-N 3.39Å; R181-A184 PolarHBondContact O-N 3.33Å; R181-L185 WeakPolarHBondContact O-CG 3.44Å; R181-L185 PolarHBondContact O-N 3.16Å
182T95.1Very high86.6Confident48 Ų4863.1 Ų63.129%0.29431%0.314SS..Hα-helixtrans-63.4-40.5176-57.60000111.5L165 S178 V179 L185 A186L165-T182 HydrophobicContact CD1-CG2 3.8Å; L165-T182 HydrophobicContact CD2-CG2 4.18Å; S178-T182 PolarHBondContact O-N 2.92Å; S178-T182 PolarHBondContact O-OG1 3.05Å; V179-T182 PolarHBondContact O-N 3.2Å; T182-L185 PolarHBondContact O-N 3.01Å; T182-A186 PolarHBondContact O-N 3.2Å
183A95.6Very high83.8Confident0 Ų065.9 Ų65.90%033%0.331CS..Hα-helixtrans-62.6-42.5175.200000112.5L16 L89 L121 V179 F180 R181 A186 C187L16-A183 HydrophobicContact CD1-CB 3.83Å; L16-A183 HydrophobicContact CD2-CB 4.23Å; L89-A183 HydrophobicContact CD2-CB 4.03Å; L121-A183 HydrophobicContact CD1-CB 3.61Å; V179-A183 WeakPolarHBondContact O-CB 3.44Å; V179-A183 PolarHBondContact O-N 3.47Å; F180-A183 PolarHBondContact O-N 3.48Å; R181-A183 VanDerWaalsContact C-N 3.33Å; R181-A183 PolarHBondContact O-N 3.39Å; A183-A186 PolarHBondContact O-N 3.32Å; A183-C187 PolarHBondContact O-N 2.89Å
184A94.3Very high81.2Confident0 Ų066.6 Ų66.60%034%0.344CS..Hα-helixtrans-61-44173.800000111.4L54 L56 V61 L63 F180 R181 A186 C187 M188L54-A184 HydrophobicContact CD1-CB 4.34Å; L56-A184 HydrophobicContact CD1-CB 4.1Å; V61-A184 HydrophobicContact CB-CB 4.49Å; V61-A184 HydrophobicContact CG1-CB 4.23Å; L63-A184 HydrophobicContact CD2-CB 4.18Å; F180-A184 WeakPolarHBondContact O-CB 3.45Å; F180-A184 PolarHBondContact O-N 3.47Å; R181-A184 PolarHBondContact O-N 3.33Å; A184-A186 PolarHBondContact O-N 3.27Å; A184-C187 VanDerWaalsContact O-CB 3.28Å; A184-C187 WeakPolarHBondContact O-CB 3.5Å; A184-C187 PolarHBondContact O-N 3.48Å; A184-M188 WeakPolarHBondContact O-CB 3.31Å; A184-M188 WeakPolarHBondContact O-CG 3.46Å; A184-M188 PolarHBondContact O-N 3.46Å
185L92.2Very high78.4Confident80 Ų8065.7 Ų65.742%0.41935%0.347SS..Hα-helixtrans-61.7-41.3176-72.5167000112.4L56 R181 T182 C187 M188 N189L56-L185 HydrophobicContact CD1-CD2 3.85Å; L56-L185 HydrophobicContact CD1-CG 4.14Å; L56-L185 HydrophobicContact CD2-CD2 4.47Å; L56-L185 HydrophobicContact CD2-CG 4.3Å; R181-L185 WeakPolarHBondContact O-CG 3.44Å; R181-L185 PolarHBondContact O-N 3.16Å; T182-L185 PolarHBondContact O-N 3.01Å; L185-C187 VanDerWaalsContact C-N 3.32Å; L185-C187 PolarHBondContact O-N 3.44Å; L185-M188 PolarHBondContact O-N 2.96Å; L185-M188 VanDerWaalsContact O-N 3.09Å; L185-N189 WeakPolarHBondContact O-CB 3.47Å; L185-N189 PolarHBondContact O-N 3.18Å; L185-N189 PolarHBondContact O-ND2 3.38Å
186A89.9Confident75.8Confident7 Ų773.1 Ų73.16%0.05838%0.377CS..Hα-helixtrans-62.5-38.4175.100000112.3R119 L121 T182 A183 A184 M188R119-A186 PolarHBondContact NE-O 3.45Å; L121-A186 HydrophobicContact CD1-CB 4.41Å; T182-A186 PolarHBondContact O-N 3.2Å; A183-A186 PolarHBondContact O-N 3.32Å; A184-A186 PolarHBondContact O-N 3.27Å; A186-M188 VanDerWaalsContact C-N 3.33Å
187C87.6Confident73.1Confident3 Ų378.9 Ų78.92%0.0241%0.414CS..Hα-helixtrans-62.6-38.2170.7-81.90000112.7C14 D86 A183 A184 L185 K190C14-C187 HydrophobicContact CB-CB 3.56Å; C14-C187 WeakPolarHBondContact CB-SG 3.42Å; C14-C187 WeakPolarHBondContact SG-CB 3.24Å; C14-C187 CovalentContact SG-SG 2.06Å; C14-C187 PolarHBondContact SG-SG 2.86Å; D86-C187 HydrophobicContact CB-CB 4.28Å; D86-C187 WeakPolarHBondContact CB-SG 3.39Å; A183-C187 PolarHBondContact O-N 2.89Å; A184-C187 VanDerWaalsContact O-CB 3.28Å; A184-C187 WeakPolarHBondContact O-CB 3.5Å; A184-C187 PolarHBondContact O-N 3.48Å; L185-C187 VanDerWaalsContact C-N 3.32Å; L185-C187 PolarHBondContact O-N 3.44Å; C187-K190 WeakPolarHBondContact O-CG 3.33Å
188M84.3Confident70.5Confident52 Ų5281.4 Ų81.426%0.25644%0.437SS..Hα-helixtrans-82.1-30.2-172.4-73.2-54.6-58.200113.9A12 L56 Q59 V61 A184 L185 A186 K190A12-M188 HydrophobicContact CB-CE 3.68Å; A12-M188 HydrophobicContact CB-SD 3.16Å; A12-M188 WeakPolarHBondContact CB-SD 3.3Å; L56-M188 HydrophobicContact CD1-CG 4.35Å; Q59-M188 VanDerWaalsContact CD-CE 3.43Å; V61-M188 HydrophobicContact CG2-CG 4.09Å; V61-M188 HydrophobicContact CG2-SD 4.24Å; A184-M188 WeakPolarHBondContact O-CB 3.31Å; A184-M188 WeakPolarHBondContact O-CG 3.46Å; A184-M188 PolarHBondContact O-N 3.46Å; L185-M188 PolarHBondContact O-N 2.96Å; L185-M188 VanDerWaalsContact O-N 3.09Å; A186-M188 VanDerWaalsContact C-N 3.33Å; M188-K190 PolarHBondContact O-N 3.24Å
189N75.3Confident68.2Low98 Ų9884.2 Ų84.252%0.52445%0.454SS..  trans-70.238176.1-72-24000113.1L185 L191L185-N189 WeakPolarHBondContact O-CB 3.47Å; L185-N189 PolarHBondContact O-N 3.18Å; L185-N189 PolarHBondContact O-ND2 3.38Å; N189-L191 PolarHBondContact O-N 2.7Å
190K60Low65.8Low126 Ų12690 Ų9055%0.54849%0.489SS..  trans-62.128.5167.6-78.9176.6-176.1177.30113.2D86 C187 M188 Q192D86-K190 WeakPolarHBondContact OD1-CE 3.42Å; D86-K190 IonicContact OD1-NZ 3.22Å; D86-K190 PolarHBondContact OD1-NZ 3.43Å; C187-K190 WeakPolarHBondContact O-CG 3.33Å; M188-K190 PolarHBondContact O-N 3.24Å; K190-Q192 PolarHBondContact O-N 3.35Å
191L42.5Very low63.4Low158 Ų158101.4 Ų101.483%0.82753%0.532SS*.  trans-81.3105.1169.7-72172.9000109N189N189-L191 PolarHBondContact O-N 2.7Å
192Q34.6Very low61.3Low171 Ų171106.5 Ų106.580%0.79955%0.551SS**  trans83.4108.4179.7-53.1-163.99.700115.5K190K190-Q192 PolarHBondContact O-N 3.35Å
193P37.3Very low59.2Low101 Ų101111.5 Ų111.566%0.65658%0.576SS**  trans-61.2134.3160.826.8-29.8000107.8N195P193-N195 PolarHBondContact O-N 3.29Å
194P40.5Very low57.2Low110 Ų110114.7 Ų114.771%0.71460%0.598SS**  trans-54.3131157.223.5-30.1000106.7K196P194-K196 PolarHBondContact O-N 3.44Å
195N38.1Very low55Low161 Ų161124.2 Ų124.286%0.86164%0.639SS**  trans-42.4107.7175.8-99.8-19.8000108.8P193 P197P193-N195 PolarHBondContact O-N 3.29Å; N195-P197 WeakPolarHBondContact O-CD 3.38Å
196K42.6Very low53.1Low177 Ų177131.9 Ų131.977%0.7766%0.663SS**  trans-79.6110.6176.9-69.3-177.3180179.10107.2P194 S198P194-K196 PolarHBondContact O-N 3.44Å; K196-S198 PolarHBondContact O-N 3.12Å
197P41.6Very low51.2Low120 Ų120138.3 Ų138.378%0.77970%0.695SS**  trans-60.3133.315026.1-29.5000107.3N195N195-P197 WeakPolarHBondContact O-CD 3.38Å
198S41.2Very low49.3Very low100 Ų100144.6 Ų144.670%0.69973%0.728SS**  trans-49.7142.4-179.434.60000111.9K196 V200K196-S198 PolarHBondContact O-N 3.12Å; S198-V200 PolarHBondContact O-N 2.92Å
199P47.8Very low47.8Very low124 Ų124150.6 Ų150.681%0.80576%0.755SS**  trans-67.5107.2177.526.3-30.8000109.1R201P199-R201 PolarHBondContact O-N 3.04Å; P199-R201 VanDerWaalsContact O-N 3.14Å
200V49.2Very low46.6Very low125 Ų125153 Ų15376%0.75877%0.767SS**  trans-62.5114.3158.7-177.90000105.7S198 R202S198-V200 PolarHBondContact O-N 2.92Å; V200-R202 VanDerWaalsContact C-N 3.28Å; V200-R202 PolarHBondContact O-N 3.35Å
201R47.1Very low46Very low239 Ų239152 Ų15290%0.90277%0.773SS**  trans-54.789.3173-76.8179.1171.4174.2-2.9109.7P199 L203P199-R201 PolarHBondContact O-N 3.04Å; P199-R201 VanDerWaalsContact O-N 3.14Å; R201-L203 PolarHBondContact O-N 2.95Å
202R49.9Very low46Very low236 Ų236150.2 Ų150.289%0.89177%0.765SS**  trans-8889.6161.1-85.9-172.6174.9-175.21107.1V200 S204V200-R202 VanDerWaalsContact C-N 3.28Å; V200-R202 PolarHBondContact O-N 3.35Å; R202-S204 PolarHBondContact O-N 3.22Å
203L51.3Low46.7Very low153 Ų153151.2 Ų151.280%0.80177%0.767SS**  trans-50125.6155.1-72.8164.6000107.2R201 K205R201-L203 PolarHBondContact O-N 2.95Å; L203-K205 PolarHBondContact O-N 3.45Å
204S53.8Low47.2Very low68 Ų68151.5 Ų151.548%0.47677%0.767SS.*  trans-57.5123.8177.752.20000108.8R202 R206 L207R202-S204 PolarHBondContact O-N 3.22Å; S204-R206 PolarHBondContact O-N 3.25Å; S204-L207 PolarHBondContact O-N 3.17Å
205K47.9Very low47.4Very low199 Ų199151.8 Ų151.887%0.86576%0.762SS**THydrogen-bonded Turntrans-61.60.1176.2-74.3-175.8176.4-177.50113.6L203L203-K205 PolarHBondContact O-N 3.45Å
206R52.4Low47.8Very low242 Ų242150.4 Ų150.491%0.91375%0.754SS**THydrogen-bonded Turntrans-93.9-5.4179.3-77.3-173.6176-177.4-0.5114.8S204S204-R206 PolarHBondContact O-N 3.25Å
207L50.4Low47.9Very low141 Ų141149.1 Ų149.174%0.73876%0.755SS**SBendtrans-103.38.1173.8-85.3162000114.2S204S204-L207 PolarHBondContact O-N 3.17Å
208L47.7Very low47.9Very low136 Ų136148.3 Ų148.371%0.71275%0.752SS**  trans-103.721.5179.3-73.7170.5000114.2
209H51.7Low48.1Very low178 Ų178148.4 Ų148.482%0.82475%0.753SS**  trans-119.569.1167-91.159.5000109.9
210L51.6Low48.1Very low147 Ų147147.5 Ų147.577%0.7775%0.745SS**PPolyproline II helixtrans-96.7125.5144.3-102.579.8000106.6N212L210-N212 PolarHBondContact O-N 2.95Å
211P46.4Very low47.8Very low105 Ų105150.7 Ų150.768%0.68275%0.749SS**PPolyproline II helixtrans-61.8134.5172.324.7-30.5000109.5
212N43.8Very low47.2Very low122 Ų122145.3 Ų145.365%0.65275%0.748SS**PPolyproline II helixtrans-67146175.3-96.3-16.2000109.9L210 T214 D215L210-N212 PolarHBondContact O-N 2.95Å; N212-T214 PolarHBondContact O-N 2.85Å; N212-D215 PolarHBondContact O-N 3.36Å
213K47.9Very low46.8Very low192 Ų192143 Ų14384%0.83574%0.744SS**THydrogen-bonded Turntrans-60-1.6-178-131.6178.7-177.5-178.90114.8
214T47.8Very low46Very low107 Ų107142 Ų14266%0.65674%0.74SS**THydrogen-bonded Turntrans-91.8-18.618047.40000114.1N212N212-T214 PolarHBondContact O-N 2.85Å
215D45.1Very low45.1Very low115 Ų115147.4 Ų147.462%0.61576%0.755SS**THydrogen-bonded Turntrans-90-3.5-177.9-65.8-28.5000113.8N212N212-D215 PolarHBondContact O-N 3.36Å
216L46.9Very low44.6Very low132 Ų132143.6 Ų143.669%0.69175%0.754SS**THydrogen-bonded Turntrans-923.2179.4-88.5156.6000114.2
217L43.3Very low44Very low151 Ų151142 Ų14279%0.79175%0.753SS**SBendtrans-118.14.3-177.8-72.6173.2000114.9
218S42.3Very low43.3Very low102 Ų102140.5 Ų140.571%0.71375%0.754SS**SBendtrans-104.9-0.4-178.863.40000115.5
219S45.3Very low42.6Very low102 Ų102140.2 Ų140.271%0.71376%0.762SS**SBendtrans-106.68.8-174.662.90000116.3
220T48.8Very low41.9Very low106 Ų106136.8 Ų136.865%0.6576%0.759SS**SBendtrans-125.491.6170.252.80000110.1
221F41.2Very low41.1Very low191 Ų191137.6 Ų137.684%0.83876%0.762SS**  trans16298.7138.5-96.1-75.8000108.9
222S34.8Very low40.4Very low126 Ų126144.8 Ų144.888%0.88179%0.79SS**  trans-153.5111.3142.2-81.90000108.9
223K42.3Very low40.3Very low187 Ų187146 Ų14681%0.81380%0.796SS**  trans-59136166.7-75.6167.1170.1169.70108.6
224D34Very low39.8Very low134 Ų134143.5 Ų143.572%0.71779%0.794SS**  -158116.5128.7-109.9-30.3000114.4
225K35.2Very low39.4Very low181 Ų181145.6 Ų145.679%0.78780%0.802SS**  trans39109.9140.7-65.4171.9-171.8167.80120.5
226S36.9Very low39.1Very low119 Ų119147.4 Ų147.483%0.83281%0.813SS**  trans-49.9135.1152.849.20000113.8
227K39.5Very low38.6Very low208 Ų208148.3 Ų148.390%0.90482%0.821SS**  trans-120.1133.2153.8-76.3-169.7176.6179.10110.4
228S37.2Very low38.3Very low109 Ų109148.1 Ų148.176%0.76282%0.823SS**  trans-68150.1-175.2-178.30000113.2
229C33Very low38Very low130 Ų130151.4 Ų151.488%0.87883%0.83SS**  trans-147.9119.6148.3-148.90000109.5
230S35.7Very low37.4Very low107 Ų107155.2 Ų155.275%0.74884%0.839SS**  trans-81145.9177.3-54.50000111
231I35Very low36.5Very low163 Ų163159.3 Ų159.384%0.83686%0.855SS**  trans-109.7127.4169.1-62173.4000107.7
232M32.7Very low36Very low257 Ų257156.5 Ų156.5100%1.26686%0.857SS**  trans-103.40143-110.4-163.4-67.700106.8

Retrieved 232 of 232 residues in 615 ms (Link to these results)

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