A0A3Q0KH76_SCHMA Loading...

Vacuolar protein sorting-associated protein 28 homolog AlphaSync

Component of the ESCRT-I complex (endosomal sorting complex required for transport I), a regulator of vesicular trafficking process.

AlphaFold DB , UniProt , Accession A0A3Q0KH76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 210 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
1M50Low76.8Confident240 Ų240151.1 Ų151.1100%1.18275%0.752SS**  0108.70-68.3-169.8-168.800105.7G3M1-G3 PolarHBondContact O-N 2.68Å; M1-G3 VanDerWaalsContact O-N 3.08Å
2D59.2Low78Confident160 Ų160151.4 Ų151.486%0.85675%0.746SS**  trans-62.9110.2176.8-167.113.2000107.7R4D2-R4 PolarHBondContact O-N 3.47Å
3G68.6Low79.1Confident43 Ų43148.3 Ų148.344%0.44373%0.733SS.*  trans-7396.7-171.500000108.7M1 V5M1-G3 PolarHBondContact O-N 2.68Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-V5 VanDerWaalsContact C-N 3.29Å; G3-V5 PolarHBondContact O-N 2.68Å
4R77.1Confident80.1Confident179 Ų179144.4 Ų144.468%0.67571%0.707SS**  trans-62.192.5175.4-67.1-172.8-179.1-169.10.3109.1D2 E6 L7D2-R4 PolarHBondContact O-N 3.47Å; R4-E6 PolarHBondContact O-N 3.18Å; R4-E6 VanDerWaalsContact O-N 3.1Å; R4-L7 HydrophobicContact CB-CD1 3.88Å; R4-L7 HydrophobicContact CB-CG 3.84Å; R4-L7 WeakPolarHBondContact O-CB 3.21Å; R4-L7 PolarHBondContact O-N 3.38Å
5V77.2Confident80.9Confident97 Ų97148.9 Ų148.959%0.58871%0.713SS**G310 helixtrans-52-33.7179.4179.70000110.9G3 L7 Y8G3-V5 VanDerWaalsContact C-N 3.29Å; G3-V5 PolarHBondContact O-N 2.68Å; V5-L7 PolarHBondContact O-N 2.91Å; V5-L7 VanDerWaalsContact O-N 3.09Å; V5-Y8 PolarHBondContact O-N 2.96Å
6E80.3Confident81.9Confident160 Ų160144 Ų14475%0.74870%0.696SS**G310 helixtrans-54.6-24.3174.2-58.6176.2177.500114.4R4 Y8R4-E6 PolarHBondContact O-N 3.18Å; R4-E6 VanDerWaalsContact O-N 3.1Å; E6-Y8 VanDerWaalsContact C-N 3.3Å
7L83.2Confident82.7Confident137 Ų137140.5 Ų140.572%0.71770%0.696SS**G310 helixtrans-78.1-13.7177.5-63.9177.5000113.4R4 V5R4-L7 HydrophobicContact CB-CD1 3.88Å; R4-L7 HydrophobicContact CB-CG 3.84Å; R4-L7 WeakPolarHBondContact O-CB 3.21Å; R4-L7 PolarHBondContact O-N 3.38Å; V5-L7 PolarHBondContact O-N 2.91Å; V5-L7 VanDerWaalsContact O-N 3.09Å
8Y85.5Confident83.3Confident192 Ų192144.6 Ų144.675%0.75370%0.702SS**G310 helixtrans-99.1-3.2179.5-57.1-77.3000113.1V5 E6V5-Y8 PolarHBondContact O-N 2.96Å; E6-Y8 VanDerWaalsContact C-N 3.3Å
9E85.2Confident83.9Confident130 Ų130141.1 Ų141.161%0.60769%0.685SS**SBendtrans-114.9137.7179.9-65.5-173.6174.600111V11E9-V11 PolarHBondContact O-N 3.05Å
10E87.9Confident84.5Confident185 Ų185140.5 Ų140.586%0.86468%0.675SS**PPolyproline II helixtrans-68.2127.5171.5-70.3-175.4170.100110.6K12E10-K12 PolarHBondContact O-N 3.49Å
11V90.2Very high85Confident139 Ų139139.6 Ų139.684%0.84267%0.67SS**PPolyproline II helixtrans-70.9116.2176.1-178.30000109.3E9E9-V11 PolarHBondContact O-N 3.05Å
12K91.6Very high87.1Confident155 Ų155133 Ų13367%0.67463%0.634SS**PPolyproline II helixtrans-88137.2169-64.8-171.1177.6-179.20110.2E10 Y14E10-K12 PolarHBondContact O-N 3.49Å; K12-Y14 VanDerWaalsContact C-N 3.26Å; K12-Y14 WeakPolarHBondContact CB-O 3.44Å; K12-Y14 PolarHBondContact O-N 2.74Å
13L92.3Very high88.9Confident111 Ų111129 Ų12958%0.58161%0.608SS**SBendtrans-61.6-37.2176.4-173.361.6000111.7Y23L13-Y23 HydrophobicContact CD1-CD1 3.81Å; L13-Y23 HydrophobicContact CD1-CD2 4.42Å; L13-Y23 HydrophobicContact CD1-CE1 3.44Å; L13-Y23 VanDerWaalsContact CD1-CE1 3.44Å; L13-Y23 HydrophobicContact CD1-CE2 4.14Å; L13-Y23 HydrophobicContact CD1-CG 4.28Å; L13-Y23 HydrophobicContact CD2-CD1 3.74Å; L13-Y23 HydrophobicContact CD2-CD2 4.24Å; L13-Y23 HydrophobicContact CD2-CE1 4.28Å; L13-Y23 HydrophobicContact CD2-CG 3.71Å; L13-Y23 HydrophobicContact CG-CD1 3.71Å; L13-Y23 HydrophobicContact CG-CD2 3.74Å; L13-Y23 HydrophobicContact CG-CE1 3.8Å; L13-Y23 HydrophobicContact CG-CE2 3.85Å; L13-Y23 HydrophobicContact CG-CG 3.67Å; L13-Y23 WeakPolarHBondContact O-CE2 3.49Å
14Y93.3Very high90.3Very high93 Ų93130.9 Ų130.937%0.36561%0.608SS.*  trans-134.5153.9177.353.8-98.8000111.2K12 R20 Y23K12-Y14 VanDerWaalsContact C-N 3.26Å; K12-Y14 WeakPolarHBondContact CB-O 3.44Å; K12-Y14 PolarHBondContact O-N 2.74Å; Y14-R20 HydrophobicContact CD1-CB 3.98Å; Y14-R20 HydrophobicContact CD1-CG 4.11Å; Y14-R20 HydrophobicContact CD2-CB 3.71Å; Y14-R20 HydrophobicContact CD2-CG 4.23Å; Y14-R20 HydrophobicContact CE1-CB 4.21Å; Y14-R20 HydrophobicContact CE1-CG 3.84Å; Y14-R20 HydrophobicContact CE2-CB 3.96Å; Y14-R20 HydrophobicContact CE2-CG 3.98Å; Y14-R20 HydrophobicContact CG-CB 3.73Å; Y14-R20 HydrophobicContact CG-CG 4.29Å; Y14-Y23 HydrophobicContact CD1-CD2 4.46Å
15R92.5Very high91.2Very high212 Ų212124.5 Ų124.580%0.859%0.587SS**SBendtrans-118.7-18.4173.4-63.2-178.5177.8-172.1-4.5112.4E19R15-E19 WeakPolarHBondContact CA-OE2 3.4Å; R15-E19 PolarHBondContact N-OE2 3.16Å
16T95.8Very high92.2Very high71 Ų71120.3 Ų120.344%0.43656%0.561SS.*SBendtrans-122160.5-179.667.40000112.4R18 E19 R20T16-R18 VanDerWaalsContact C-N 3.27Å; T16-R18 PolarHBondContact O-N 2.62Å; T16-E19 PolarHBondContact N-OE2 3.1Å; T16-E19 PolarHBondContact O-N 2.77Å; T16-E19 WeakPolarHBondContact OG1-CB 3.44Å; T16-E19 VanDerWaalsContact OG1-CG 3.3Å; T16-E19 WeakPolarHBondContact OG1-CG 3.3Å; T16-E19 PolarHBondContact OG1-N 2.6Å; T16-E19 PolarHBondContact OG1-OE2 2.98Å; T16-R20 PolarHBondContact O-N 3.27Å
17A95.3Very high93Very high85 Ų85115.4 Ų115.470%0.70255%0.548SS*.Hα-helixtrans-60.8-37.117500000112.3R20 E21A17-R20 WeakPolarHBondContact O-CB 3.45Å; A17-R20 PolarHBondContact O-N 3.04Å; A17-E21 PolarHBondContact O-N 3.48Å
18R93.9Very high93.7Very high213 Ų213114.1 Ų114.180%0.80454%0.538SS*.Hα-helixtrans-65.2-42.6177.1-175.5-179.8-179.8-175.9-0.5112.3T16 K22T16-R18 VanDerWaalsContact C-N 3.27Å; T16-R18 PolarHBondContact O-N 2.62Å; R18-K22 PolarHBondContact O-N 2.71Å
19E94.4Very high94.3Very high79 Ų79105 Ų10537%0.36950%0.503SS..Hα-helixtrans-65.3-42.2174.4-74.3168.5155.100111R15 T16 E21 K22 Y23R15-E19 WeakPolarHBondContact CA-OE2 3.4Å; R15-E19 PolarHBondContact N-OE2 3.16Å; T16-E19 PolarHBondContact N-OE2 3.1Å; T16-E19 PolarHBondContact O-N 2.77Å; T16-E19 WeakPolarHBondContact OG1-CB 3.44Å; T16-E19 VanDerWaalsContact OG1-CG 3.3Å; T16-E19 WeakPolarHBondContact OG1-CG 3.3Å; T16-E19 PolarHBondContact OG1-N 2.6Å; T16-E19 PolarHBondContact OG1-OE2 2.98Å; E19-E21 PolarHBondContact O-N 2.92Å; E19-K22 WeakPolarHBondContact O-CB 3.01Å; E19-K22 PolarHBondContact O-N 3.43Å; E19-Y23 HydrophobicContact CB-CE2 4.43Å; E19-Y23 WeakPolarHBondContact O-CD2 3.43Å; E19-Y23 PolarHBondContact O-N 2.98Å
20R95.7Very high94.9Very high129 Ų129103.5 Ų103.549%0.48749%0.492SS..Hα-helixtrans-55.9-50.7175.9-179.2179171.9177.90.4111.3Y14 T16 A17 K22 Y23 D24Y14-R20 HydrophobicContact CD1-CB 3.98Å; Y14-R20 HydrophobicContact CD1-CG 4.11Å; Y14-R20 HydrophobicContact CD2-CB 3.71Å; Y14-R20 HydrophobicContact CD2-CG 4.23Å; Y14-R20 HydrophobicContact CE1-CB 4.21Å; Y14-R20 HydrophobicContact CE1-CG 3.84Å; Y14-R20 HydrophobicContact CE2-CB 3.96Å; Y14-R20 HydrophobicContact CE2-CG 3.98Å; Y14-R20 HydrophobicContact CG-CB 3.73Å; Y14-R20 HydrophobicContact CG-CG 4.29Å; T16-R20 PolarHBondContact O-N 3.27Å; A17-R20 WeakPolarHBondContact O-CB 3.45Å; A17-R20 PolarHBondContact O-N 3.04Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 2.8Å; R20-Y23 PolarHBondContact O-N 3.47Å; R20-Y23 VanDerWaalsContact O-N 3.12Å; R20-D24 IonicContact NE-OD2 3.82Å; R20-D24 VanDerWaalsContact O-CG 3.26Å; R20-D24 PolarHBondContact O-N 3.47Å
21E95.8Very high95.4Very high122 Ų12296.7 Ų96.757%0.5747%0.467SS*.Hα-helixtrans-59.5-41.8177.1-175.9177.8-167.400112.1A17 E19 Y23 D24 N25A17-E21 PolarHBondContact O-N 3.48Å; E19-E21 PolarHBondContact O-N 2.92Å; E21-Y23 VanDerWaalsContact C-N 3.35Å; E21-Y23 PolarHBondContact O-N 2.91Å; E21-D24 PolarHBondContact O-N 3.46Å; E21-N25 PolarHBondContact O-N 3.4Å; E21-N25 PolarHBondContact O-ND2 3.41Å
22K94.9Very high95.8Very high101 Ų10190.3 Ų90.344%0.43943%0.429SS..Hα-helixtrans-55.9-49.8173.1-177.3-176.8176.1-1790110.7R18 E19 R20 N25 L26 E75R18-K22 PolarHBondContact O-N 2.71Å; E19-K22 WeakPolarHBondContact O-CB 3.01Å; E19-K22 PolarHBondContact O-N 3.43Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 2.8Å; K22-N25 PolarHBondContact O-N 3.46Å; K22-L26 HydrophobicContact CG-CD1 3.99Å; K22-L26 WeakPolarHBondContact O-CD1 3.37Å; K22-L26 WeakPolarHBondContact O-CG 3.3Å; K22-L26 PolarHBondContact O-N 3.01Å; K22-E75 IonicContact NZ-OE2 2.79Å; K22-E75 PolarHBondContact NZ-OE2 3.43Å
23Y96.2Very high96.2Very high75 Ų7582.9 Ų82.929%0.29440%0.396SS..Hα-helixtrans-68.7-33.7-179.8-73.4-67.7000113.5L13 Y14 E19 R20 E21 L26 A27L13-Y23 HydrophobicContact CD1-CD1 3.81Å; L13-Y23 HydrophobicContact CD1-CD2 4.42Å; L13-Y23 HydrophobicContact CD1-CE1 3.44Å; L13-Y23 VanDerWaalsContact CD1-CE1 3.44Å; L13-Y23 HydrophobicContact CD1-CE2 4.14Å; L13-Y23 HydrophobicContact CD1-CG 4.28Å; L13-Y23 HydrophobicContact CD2-CD1 3.74Å; L13-Y23 HydrophobicContact CD2-CD2 4.24Å; L13-Y23 HydrophobicContact CD2-CE1 4.28Å; L13-Y23 HydrophobicContact CD2-CG 3.71Å; L13-Y23 HydrophobicContact CG-CD1 3.71Å; L13-Y23 HydrophobicContact CG-CD2 3.74Å; L13-Y23 HydrophobicContact CG-CE1 3.8Å; L13-Y23 HydrophobicContact CG-CE2 3.85Å; L13-Y23 HydrophobicContact CG-CG 3.67Å; L13-Y23 WeakPolarHBondContact O-CE2 3.49Å; Y14-Y23 HydrophobicContact CD1-CD2 4.46Å; E19-Y23 HydrophobicContact CB-CE2 4.43Å; E19-Y23 WeakPolarHBondContact O-CD2 3.43Å; E19-Y23 PolarHBondContact O-N 2.98Å; R20-Y23 PolarHBondContact O-N 3.47Å; R20-Y23 VanDerWaalsContact O-N 3.12Å; E21-Y23 VanDerWaalsContact C-N 3.35Å; E21-Y23 PolarHBondContact O-N 2.91Å; Y23-L26 HydrophobicContact CD1-CD1 3.93Å; Y23-L26 HydrophobicContact CE1-CD1 4.33Å; Y23-L26 PolarHBondContact O-N 2.95Å; Y23-A27 VanDerWaalsContact O-CB 3.26Å; Y23-A27 WeakPolarHBondContact O-CB 3.36Å; Y23-A27 PolarHBondContact O-N 3.32Å
24D97.2Very high96.4Very high83 Ų8379.9 Ų79.944%0.44438%0.381SS..Hα-helixtrans-63.1-44.3174.6-69.6-17.8000110.2R20 E21 A27 E28R20-D24 IonicContact NE-OD2 3.82Å; R20-D24 VanDerWaalsContact O-CG 3.26Å; R20-D24 PolarHBondContact O-N 3.47Å; E21-D24 PolarHBondContact O-N 3.46Å; D24-A27 PolarHBondContact O-N 3.28Å; D24-E28 PolarHBondContact O-N 3.39Å
25N97Very high96.7Very high45 Ų4578.9 Ų78.924%0.24138%0.384CS..Hα-helixtrans-63.8-42175.1-68.9-23.5000112.7E21 K22 E28 L29 Q70 V71E21-N25 PolarHBondContact O-N 3.4Å; E21-N25 PolarHBondContact O-ND2 3.41Å; K22-N25 PolarHBondContact O-N 3.46Å; N25-E28 PolarHBondContact O-N 3.14Å; N25-L29 PolarHBondContact O-N 2.9Å; N25-Q70 HydrophobicContact CB-CB 4.36Å; N25-V71 HydrophobicContact CB-CG2 4.1Å
26L97.5Very high97Very high10 Ų1068.8 Ų68.85%0.05235%0.346CS..Hα-helixtrans-63.2-42.4175.5-67.5165.8000111.4K22 Y23 L29 Y30 V71 F76 F82 Y86K22-L26 HydrophobicContact CG-CD1 3.99Å; K22-L26 WeakPolarHBondContact O-CD1 3.37Å; K22-L26 WeakPolarHBondContact O-CG 3.3Å; K22-L26 PolarHBondContact O-N 3.01Å; Y23-L26 HydrophobicContact CD1-CD1 3.93Å; Y23-L26 HydrophobicContact CE1-CD1 4.33Å; Y23-L26 PolarHBondContact O-N 2.95Å; L26-L29 PolarHBondContact O-N 3.12Å; L26-Y30 WeakPolarHBondContact O-CB 3.49Å; L26-Y30 PolarHBondContact O-N 3.47Å; L26-V71 HydrophobicContact CD2-CB 4.41Å; L26-V71 HydrophobicContact CD2-CG1 3.44Å; L26-V71 VanDerWaalsContact CD2-CG1 3.44Å; L26-V71 HydrophobicContact CD2-CG2 4.08Å; L26-F76 HydrophobicContact CD2-CD2 4.1Å; L26-F76 HydrophobicContact CD2-CE2 3.54Å; L26-F76 HydrophobicContact CD2-CZ 4.32Å; L26-F82 HydrophobicContact CB-CE2 4.4Å; L26-F82 HydrophobicContact CD2-CD2 4.19Å; L26-F82 HydrophobicContact CD2-CE2 3.63Å; L26-F82 WeakPolarHBondContact O-CZ 3.29Å; L26-Y86 WeakPolarHBondContact CD1-OH 3.19Å; L26-Y86 HydrophobicContact CD2-CE2 4.29Å
27A97.8Very high97.1Very high57 Ų5765.8 Ų65.847%0.47133%0.328SS..Hα-helixtrans-65.7-40.2178.400000111.7Y23 D24 Y30 A31Y23-A27 VanDerWaalsContact O-CB 3.26Å; Y23-A27 WeakPolarHBondContact O-CB 3.36Å; Y23-A27 PolarHBondContact O-N 3.32Å; D24-A27 PolarHBondContact O-N 3.28Å; A27-Y30 WeakPolarHBondContact O-CB 3.29Å; A27-Y30 PolarHBondContact O-N 3.3Å; A27-A31 WeakPolarHBondContact O-CB 3.36Å; A27-A31 PolarHBondContact O-N 3.17Å
28E98Very high97.2Very high109 Ų10965.7 Ų65.751%0.50932%0.321SS..Hα-helixtrans-63.6-46.4176-172.161.3-156.100111.3D24 N25 Y30 A31 V32D24-E28 PolarHBondContact O-N 3.39Å; N25-E28 PolarHBondContact O-N 3.14Å; E28-Y30 VanDerWaalsContact C-N 3.34Å; E28-Y30 PolarHBondContact O-N 3.15Å; E28-A31 PolarHBondContact O-N 3.44Å; E28-V32 WeakPolarHBondContact O-CG2 3.29Å; E28-V32 PolarHBondContact O-N 2.83Å
29L98.2Very high97.4Very high0 Ų056.6 Ų56.60%029%0.288CS..Hα-helixtrans-58.8-46174.8177.461.3000111.5N25 L26 A31 V32 I33 Y64 A67 F68 V71 I79 F82N25-L29 PolarHBondContact O-N 2.9Å; L26-L29 PolarHBondContact O-N 3.12Å; L29-A31 VanDerWaalsContact C-N 3.32Å; L29-A31 PolarHBondContact O-N 3.29Å; L29-V32 PolarHBondContact O-N 2.87Å; L29-I33 HydrophobicContact CD1-CD1 3.95Å; L29-I33 HydrophobicContact CD1-CG1 4.25Å; L29-I33 HydrophobicContact CG-CD1 3.92Å; L29-I33 WeakPolarHBondContact O-CD1 3.46Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 3.23Å; L29-I33 VanDerWaalsContact O-N 3.12Å; L29-Y64 HydrophobicContact CD1-CD2 3.86Å; L29-Y64 HydrophobicContact CD1-CE2 3.98Å; L29-A67 HydrophobicContact CB-CB 4.21Å; L29-A67 HydrophobicContact CD1-CB 4.12Å; L29-F68 HydrophobicContact CD1-CB 4.08Å; L29-F68 HydrophobicContact CD1-CD2 4.46Å; L29-F68 HydrophobicContact CD2-CD2 3.9Å; L29-V71 HydrophobicContact CB-CG2 4.23Å; L29-V71 HydrophobicContact CD2-CB 3.9Å; L29-V71 HydrophobicContact CD2-CG1 3.87Å; L29-V71 HydrophobicContact CD2-CG2 4.01Å; L29-I79 HydrophobicContact CD1-CD1 4.45Å; L29-F82 HydrophobicContact CB-CE1 4.49Å; L29-F82 HydrophobicContact CB-CZ 4.15Å; L29-F82 HydrophobicContact CD2-CD1 3.93Å; L29-F82 HydrophobicContact CD2-CD2 3.78Å; L29-F82 HydrophobicContact CD2-CE1 3.93Å; L29-F82 HydrophobicContact CD2-CE2 3.78Å; L29-F82 HydrophobicContact CD2-CG 3.86Å; L29-F82 HydrophobicContact CD2-CZ 3.86Å; L29-F82 HydrophobicContact CG-CD1 4.24Å; L29-F82 HydrophobicContact CG-CE1 3.88Å; L29-F82 HydrophobicContact CG-CE2 4.37Å; L29-F82 HydrophobicContact CG-CZ 3.95Å
30Y98.3Very high97.5Very high100 Ų10053 Ų5339%0.39227%0.271SS..Hα-helixtrans-58.5-43.1175.7-178.1-84.5000112L26 A27 E28 N34 M88L26-Y30 WeakPolarHBondContact O-CB 3.49Å; L26-Y30 PolarHBondContact O-N 3.47Å; A27-Y30 WeakPolarHBondContact O-CB 3.29Å; A27-Y30 PolarHBondContact O-N 3.3Å; E28-Y30 VanDerWaalsContact C-N 3.34Å; E28-Y30 PolarHBondContact O-N 3.15Å; Y30-N34 VanDerWaalsContact CD1-ND2 3.31Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.48Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.45Å; Y30-N34 VanDerWaalsContact CZ-ND2 3.32Å; Y30-N34 PolarHBondContact O-N 3.39Å; Y30-N34 PolarHBondContact O-ND2 2.93Å; Y30-M88 HydrophobicContact CD2-CE 3.55Å; Y30-M88 HydrophobicContact CD2-CG 3.83Å; Y30-M88 HydrophobicContact CD2-SD 3.47Å; Y30-M88 WeakPolarHBondContact CD2-SD 3.41Å; Y30-M88 HydrophobicContact CE2-CE 3.75Å; Y30-M88 HydrophobicContact CE2-CG 3.61Å; Y30-M88 HydrophobicContact CE2-SD 3.87Å; Y30-M88 HydrophobicContact CG-CE 3.95Å; Y30-M88 HydrophobicContact CG-SD 4.27Å; Y30-M88 WeakPolarHBondContact O-CE 3.3Å
31A98.5Very high97.6Very high41 Ų4151.9 Ų51.934%0.33927%0.27SS..Hα-helixtrans-64-50.1179.300000110.9A27 E28 L29 I33 N34 T35A27-A31 WeakPolarHBondContact O-CB 3.36Å; A27-A31 PolarHBondContact O-N 3.17Å; E28-A31 PolarHBondContact O-N 3.44Å; L29-A31 VanDerWaalsContact C-N 3.32Å; L29-A31 PolarHBondContact O-N 3.29Å; A31-I33 PolarHBondContact O-N 2.83Å; A31-N34 PolarHBondContact O-N 3.25Å; A31-N34 VanDerWaalsContact O-N 3.16Å; A31-T35 PolarHBondContact O-N 2.99Å; A31-T35 PolarHBondContact O-OG1 3.15Å
32V98.3Very high97.7Very high5 Ų547.1 Ų47.13%0.0325%0.251CS..Hα-helixtrans-58.5-44.7-179.5173.40000111.7E28 L29 N34 T35 I36 Q63E28-V32 WeakPolarHBondContact O-CG2 3.29Å; E28-V32 PolarHBondContact O-N 2.83Å; L29-V32 PolarHBondContact O-N 2.87Å; V32-N34 PolarHBondContact O-N 3.46Å; V32-T35 PolarHBondContact O-N 3.21Å; V32-I36 HydrophobicContact CG1-CD1 4.08Å; V32-I36 WeakPolarHBondContact O-CG1 3.31Å; V32-I36 PolarHBondContact O-N 3.49Å; V32-Q63 HydrophobicContact CG1-CB 4.42Å; V32-Q63 HydrophobicContact CG2-CB 4.47Å
33I98.5Very high97.8Very high0 Ų045.4 Ų45.40%024%0.243CC..Hα-helixtrans-61.4-44.6178.2-61.9158.4000110.8L29 A31 T35 I36 Q37 Y64 I79 F82 M88 C90 A93 I97L29-I33 HydrophobicContact CD1-CD1 3.95Å; L29-I33 HydrophobicContact CD1-CG1 4.25Å; L29-I33 HydrophobicContact CG-CD1 3.92Å; L29-I33 WeakPolarHBondContact O-CD1 3.46Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 3.23Å; L29-I33 VanDerWaalsContact O-N 3.12Å; A31-I33 PolarHBondContact O-N 2.83Å; I33-T35 VanDerWaalsContact C-N 3.33Å; I33-T35 PolarHBondContact O-N 3.15Å; I33-I36 PolarHBondContact O-N 2.97Å; I33-Q37 PolarHBondContact O-N 3.04Å; I33-Y64 HydrophobicContact CG1-CD2 4.33Å; I33-I79 HydrophobicContact CD1-CD1 3.59Å; I33-I79 HydrophobicContact CG1-CD1 4.37Å; I33-F82 HydrophobicContact CD1-CD1 3.84Å; I33-F82 HydrophobicContact CD1-CE1 3.76Å; I33-M88 HydrophobicContact CB-CE 3.72Å; I33-M88 HydrophobicContact CD1-CE 4.16Å; I33-M88 HydrophobicContact CD1-SD 3.92Å; I33-M88 HydrophobicContact CG2-CE 3.7Å; I33-M88 HydrophobicContact CG2-SD 4.45Å; I33-C90 HydrophobicContact CG2-CB 3.91Å; I33-A93 HydrophobicContact CG2-CB 4.04Å; I33-A93 WeakPolarHBondContact O-CB 2.92Å; I33-I97 HydrophobicContact CG1-CD1 4.25Å
34N98.4Very high97.8Very high47 Ų4747.7 Ų47.725%0.25126%0.258SS..Hα-helixtrans-64-38.6175.9-83.2-67.4000112Y30 A31 V32 Q37 C38 M88Y30-N34 VanDerWaalsContact CD1-ND2 3.31Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.48Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.45Å; Y30-N34 VanDerWaalsContact CZ-ND2 3.32Å; Y30-N34 PolarHBondContact O-N 3.39Å; Y30-N34 PolarHBondContact O-ND2 2.93Å; A31-N34 PolarHBondContact O-N 3.25Å; A31-N34 VanDerWaalsContact O-N 3.16Å; V32-N34 PolarHBondContact O-N 3.46Å; N34-Q37 WeakPolarHBondContact O-CB 3.48Å; N34-Q37 PolarHBondContact O-N 3.42Å; N34-C38 WeakPolarHBondContact O-CB 3.03Å; N34-C38 PolarHBondContact O-N 2.9Å; N34-C38 PolarHBondContact O-SG 3.31Å; N34-C38 VanDerWaalsContact O-SG 3.33Å; N34-M88 WeakPolarHBondContact ND2-CE 3.33Å
35T98.5Very high97.7Very high72 Ų7249.9 Ų49.944%0.44226%0.264SS..Hα-helixtrans-63.3-42.5175.7-54.50000111.2A31 V32 I33 Q37 C38 L39 L60A31-T35 PolarHBondContact O-N 2.99Å; A31-T35 PolarHBondContact O-OG1 3.15Å; V32-T35 PolarHBondContact O-N 3.21Å; I33-T35 VanDerWaalsContact C-N 3.33Å; I33-T35 PolarHBondContact O-N 3.15Å; T35-Q37 VanDerWaalsContact C-N 3.35Å; T35-Q37 PolarHBondContact O-N 3.47Å; T35-C38 PolarHBondContact O-N 3.32Å; T35-L39 WeakPolarHBondContact O-CB 3.34Å; T35-L39 PolarHBondContact O-N 3.33Å; T35-L60 HydrophobicContact CG2-CD1 3.91Å; T35-L60 HydrophobicContact CG2-CD2 3.64Å; T35-L60 HydrophobicContact CG2-CG 4.45Å
36I98.4Very high97.6Very high0 Ų054.3 Ų54.30%029%0.288CS..Hα-helixtrans-59.9-47173.3-65.1167.3000109.9V32 I33 C38 L39 Q40 L60 L61 A93 R96 I97V32-I36 HydrophobicContact CG1-CD1 4.08Å; V32-I36 WeakPolarHBondContact O-CG1 3.31Å; V32-I36 PolarHBondContact O-N 3.49Å; I33-I36 PolarHBondContact O-N 2.97Å; I36-C38 VanDerWaalsContact C-N 3.34Å; I36-C38 PolarHBondContact O-N 3.33Å; I36-L39 PolarHBondContact O-N 3.31Å; I36-Q40 HydrophobicContact CG2-CG 4.39Å; I36-Q40 WeakPolarHBondContact O-CG 3.27Å; I36-Q40 PolarHBondContact O-N 3.39Å; I36-L60 HydrophobicContact CD1-CB 4.18Å; I36-L60 HydrophobicContact CG1-CB 3.62Å; I36-L60 HydrophobicContact CG1-CD1 4.07Å; I36-L60 HydrophobicContact CG1-CG 4.31Å; I36-L61 HydrophobicContact CD1-CD2 4.42Å; I36-A93 HydrophobicContact CB-CB 3.97Å; I36-A93 HydrophobicContact CG2-CB 3.73Å; I36-R96 HydrophobicContact CG2-CB 4.31Å; I36-I97 HydrophobicContact CD1-CD1 4.27Å; I36-I97 HydrophobicContact CD1-CG1 4.2Å
37Q98.2Very high97.6Very high9 Ų962.3 Ų62.34%0.04232%0.319CS..Hα-helixtrans-58.4-45.3179.1179.366.32.800111.8I33 N34 T35 Q40 K41 C90 A92 A93I33-Q37 PolarHBondContact O-N 3.04Å; N34-Q37 WeakPolarHBondContact O-CB 3.48Å; N34-Q37 PolarHBondContact O-N 3.42Å; T35-Q37 VanDerWaalsContact C-N 3.35Å; T35-Q37 PolarHBondContact O-N 3.47Å; Q37-Q40 PolarHBondContact O-N 3.33Å; Q37-K41 VanDerWaalsContact NE2-CE 3.3Å; Q37-K41 WeakPolarHBondContact O-CG 3.24Å; Q37-K41 PolarHBondContact O-N 2.56Å; Q37-K41 VanDerWaalsContact O-N 3.08Å; Q37-C90 HydrophobicContact CB-CB 3.99Å; Q37-C90 HydrophobicContact CG-CB 4.02Å; Q37-A92 VanDerWaalsContact OE1-CB 3.27Å; Q37-A93 HydrophobicContact CB-CB 3.97Å
38C98.2Very high97.5Very high82 Ų8261.1 Ų61.155%0.55431%0.305SS*.Hα-helixtrans-64-43.8176.5-73.10000111.7N34 T35 I36 Q40 K41 A42N34-C38 WeakPolarHBondContact O-CB 3.03Å; N34-C38 PolarHBondContact O-N 2.9Å; N34-C38 PolarHBondContact O-SG 3.31Å; N34-C38 VanDerWaalsContact O-SG 3.33Å; T35-C38 PolarHBondContact O-N 3.32Å; I36-C38 VanDerWaalsContact C-N 3.34Å; I36-C38 PolarHBondContact O-N 3.33Å; C38-Q40 PolarHBondContact O-N 3.39Å; C38-K41 PolarHBondContact O-N 3.15Å; C38-A42 WeakPolarHBondContact O-CB 3.38Å; C38-A42 PolarHBondContact O-N 3.2Å
39L98.3Very high97.4Very high23 Ų2362.6 Ų62.612%0.1231%0.312CS..Hα-helixtrans-61.3-43.4176.7179.364.5000111.5T35 I36 K41 A42 Y43 Y53 A56 C57 L60T35-L39 WeakPolarHBondContact O-CB 3.34Å; T35-L39 PolarHBondContact O-N 3.33Å; I36-L39 PolarHBondContact O-N 3.31Å; L39-K41 PolarHBondContact O-N 3.38Å; L39-A42 PolarHBondContact O-N 2.97Å; L39-Y43 PolarHBondContact O-N 2.81Å; L39-Y53 HydrophobicContact CD1-CD2 4.08Å; L39-Y53 HydrophobicContact CD2-CD2 4.25Å; L39-Y53 HydrophobicContact CD2-CE2 4.47Å; L39-Y53 HydrophobicContact CG-CD2 3.85Å; L39-Y53 HydrophobicContact CG-CE2 4.13Å; L39-A56 HydrophobicContact CD1-CB 4.28Å; L39-A56 HydrophobicContact CD2-CB 3.77Å; L39-C57 HydrophobicContact CD2-CB 3.8Å; L39-L60 HydrophobicContact CB-CD1 4.32Å; L39-L60 HydrophobicContact CD2-CD1 3.62Å
40Q96.8Very high97Very high4 Ų465.5 Ų65.52%0.01933%0.332CS..Hα-helixtrans-58.3-48.2175.1-68.2-44.3-61.800111.3I36 Q37 C38 A42 Y43 I44 Y53 A92 R96I36-Q40 HydrophobicContact CG2-CG 4.39Å; I36-Q40 WeakPolarHBondContact O-CG 3.27Å; I36-Q40 PolarHBondContact O-N 3.39Å; Q37-Q40 PolarHBondContact O-N 3.33Å; C38-Q40 PolarHBondContact O-N 3.39Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; Q40-A42 PolarHBondContact O-N 3.4Å; Q40-Y43 PolarHBondContact O-N 3.36Å; Q40-I44 WeakPolarHBondContact O-CD1 3.3Å; Q40-I44 VanDerWaalsContact O-CG1 3.26Å; Q40-I44 WeakPolarHBondContact O-CG1 3.27Å; Q40-I44 PolarHBondContact O-N 3.43Å; Q40-Y53 VanDerWaalsContact NE2-CE2 3.28Å; Q40-Y53 PolarHBondContact NE2-OH 3.18Å; Q40-Y53 PolarHBondContact OE1-OH 3.23Å; Q40-A92 HydrophobicContact CB-CB 3.73Å; Q40-A92 HydrophobicContact CG-CB 3.95Å; Q40-R96 HydrophobicContact CG-CG 3.75Å
41K97.3Very high96.7Very high105 Ų10569.2 Ų69.246%0.45735%0.351SS..Hα-helixtrans-63.5-38178.6-73.7178.2175.1176.70112.3Q37 C38 L39 K45Q37-K41 VanDerWaalsContact NE2-CE 3.3Å; Q37-K41 WeakPolarHBondContact O-CG 3.24Å; Q37-K41 PolarHBondContact O-N 2.56Å; Q37-K41 VanDerWaalsContact O-N 3.08Å; C38-K41 PolarHBondContact O-N 3.15Å; L39-K41 PolarHBondContact O-N 3.38Å; K41-K45 WeakPolarHBondContact O-CB 3.32Å; K41-K45 VanDerWaalsContact O-CG 3.25Å; K41-K45 WeakPolarHBondContact O-CG 3.47Å; K41-K45 PolarHBondContact O-N 2.91Å; K41-K45 VanDerWaalsContact O-N 3.08Å
42A97.8Very high96.5Very high22 Ų2273 Ų7318%0.18236%0.361CS..Hα-helixtrans-65.6-42.9178.100000111.5C38 L39 Q40 K45 D46 Y47 V48C38-A42 WeakPolarHBondContact O-CB 3.38Å; C38-A42 PolarHBondContact O-N 3.2Å; L39-A42 PolarHBondContact O-N 2.97Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; Q40-A42 PolarHBondContact O-N 3.4Å; A42-K45 CarbonylContact O-C 3.58Å; A42-K45 PolarHBondContact O-N 3.12Å; A42-D46 PolarHBondContact O-N 3.21Å; A42-Y47 HydrophobicContact CB-CD2 4.47Å; A42-Y47 WeakPolarHBondContact O-CB 3.49Å; A42-Y47 PolarHBondContact O-N 2.76Å; A42-V48 HydrophobicContact CB-CG2 3.94Å
43Y96.8Very high96.4Very high65 Ų6572.8 Ų72.826%0.25536%0.36SS..Hα-helixtrans-65.3-44.1175.4179.7-108.2000112.7L39 Q40 K45 D46 Y53 I103 T104L39-Y43 PolarHBondContact O-N 2.81Å; Q40-Y43 PolarHBondContact O-N 3.36Å; Y43-K45 PolarHBondContact O-N 3.4Å; Y43-D46 PolarHBondContact O-N 2.76Å; Y43-Y53 HydrophobicContact CD1-CD1 4.4Å; Y43-Y53 HydrophobicContact CD1-CD2 4.16Å; Y43-Y53 HydrophobicContact CD1-CE1 4.34Å; Y43-Y53 HydrophobicContact CD1-CE2 4.03Å; Y43-Y53 HydrophobicContact CD1-CG 4.3Å; Y43-Y53 HydrophobicContact CD2-CD1 4.12Å; Y43-Y53 AromaticContact CD2-CD2 3.91Å; Y43-Y53 HydrophobicContact CD2-CD2 3.91Å; Y43-Y53 AromaticContact CD2-CG 3.6Å; Y43-Y53 HydrophobicContact CD2-CG 3.6Å; Y43-Y53 HydrophobicContact CE2-CD1 4.31Å; Y43-Y53 HydrophobicContact CE2-CG 4.2Å; Y43-Y53 HydrophobicContact CG-CD1 4.18Å; Y43-Y53 AromaticContact CG-CD2 3.52Å; Y43-Y53 HydrophobicContact CG-CD2 3.52Å; Y43-Y53 AromaticContact CG-CE2 3.83Å; Y43-Y53 HydrophobicContact CG-CE2 3.83Å; Y43-Y53 AromaticContact CG-CG 3.67Å; Y43-Y53 HydrophobicContact CG-CG 3.67Å; Y43-I103 HydrophobicContact CD1-CG2 3.83Å; Y43-I103 HydrophobicContact CE1-CG2 3.48Å; Y43-I103 VanDerWaalsContact CE1-CG2 3.48Å; Y43-T104 HydrophobicContact CE1-CG2 4.05Å; Y43-T104 HydrophobicContact CE2-CG2 3.92Å; Y43-T104 VanDerWaalsContact CZ-CG2 3.47Å; Y43-T104 VanDerWaalsContact OH-CG2 3.25Å; Y43-T104 WeakPolarHBondContact OH-CG2 3.39Å
44I95.1Very high96.1Very high122 Ų12274.3 Ų74.363%0.62637%0.369SS*.Hα-helixtrans-60.1-33176-69.5164.8000111.7Q40 D46Q40-I44 WeakPolarHBondContact O-CD1 3.3Å; Q40-I44 VanDerWaalsContact O-CG1 3.26Å; Q40-I44 WeakPolarHBondContact O-CG1 3.27Å; Q40-I44 PolarHBondContact O-N 3.43Å; I44-D46 VanDerWaalsContact C-N 3.26Å
45K96.8Very high95.8Very high129 Ų12975.2 Ų75.256%0.56138%0.384SS*.THydrogen-bonded Turntrans-86.67.5177-69178.2-179.5-172.80113.7K41 A42 Y43 Y47K41-K45 WeakPolarHBondContact O-CB 3.32Å; K41-K45 VanDerWaalsContact O-CG 3.25Å; K41-K45 WeakPolarHBondContact O-CG 3.47Å; K41-K45 PolarHBondContact O-N 2.91Å; K41-K45 VanDerWaalsContact O-N 3.08Å; A42-K45 CarbonylContact O-C 3.58Å; A42-K45 PolarHBondContact O-N 3.12Å; Y43-K45 PolarHBondContact O-N 3.4Å; K45-Y47 HydrophobicContact CB-CD2 3.79Å; K45-Y47 HydrophobicContact CB-CE1 4.4Å; K45-Y47 HydrophobicContact CB-CE2 3.66Å; K45-Y47 HydrophobicContact CB-CG 4.22Å; K45-Y47 HydrophobicContact CD-CD2 4.31Å; K45-Y47 HydrophobicContact CD-CE2 3.6Å; K45-Y47 HydrophobicContact CG-CE2 4.31Å; K45-Y47 PolarHBondContact O-N 2.64Å
46D94.9Very high95.7Very high139 Ų13973.6 Ų73.674%0.74338%0.377SS*.THydrogen-bonded Turntrans59.531.3179.1-153.633.6000113.9A42 Y43 I44A42-D46 PolarHBondContact O-N 3.21Å; Y43-D46 PolarHBondContact O-N 2.76Å; I44-D46 VanDerWaalsContact C-N 3.26Å
47Y97.1Very high95.7Very high178 Ų17873.6 Ų73.670%0.69838%0.377SS*.  trans-87.3-11.3175.7-62.6-32.9000113.7A42 K45A42-Y47 HydrophobicContact CB-CD2 4.47Å; A42-Y47 WeakPolarHBondContact O-CB 3.49Å; A42-Y47 PolarHBondContact O-N 2.76Å; K45-Y47 HydrophobicContact CB-CD2 3.79Å; K45-Y47 HydrophobicContact CB-CE1 4.4Å; K45-Y47 HydrophobicContact CB-CE2 3.66Å; K45-Y47 HydrophobicContact CB-CG 4.22Å; K45-Y47 HydrophobicContact CD-CD2 4.31Å; K45-Y47 HydrophobicContact CD-CE2 3.6Å; K45-Y47 HydrophobicContact CG-CE2 4.31Å; K45-Y47 PolarHBondContact O-N 2.64Å
48V95.7Very high95.4Very high32 Ų3275.3 Ų75.319%0.19439%0.39CS..SBendtrans-136.7130.7-175.4-176.50000108.6A42 E52A42-V48 HydrophobicContact CB-CG2 3.94Å; V48-E52 HydrophobicContact CG1-CB 3.82Å
49E94.5Very high95.3Very high140 Ų14078 Ų7865%0.65439%0.392SS*.  trans-66.5151178.3-64.1-172.6175.200111.9K51 E52 Y53E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 2.8Å; E49-K51 VanDerWaalsContact O-N 3.15Å; E49-E52 PolarHBondContact O-N 2.94Å; E49-E52 VanDerWaalsContact O-N 3.12Å; E49-Y53 WeakPolarHBondContact O-CB 3.37Å; E49-Y53 PolarHBondContact O-N 3.49Å
50S91.7Very high95.3Very high60 Ų6077.7 Ų77.742%0.4239%0.391SS..Hα-helixtrans-51.8-42-178-177.60000113.6T54 T104S50-T54 WeakPolarHBondContact O-CB 3.13Å; S50-T54 PolarHBondContact O-N 2.88Å; S50-T54 PolarHBondContact O-OG1 3.27Å; S50-T104 WeakPolarHBondContact OG-CG2 3.26Å
51K90.2Very high95.3Very high179 Ų17977.9 Ų77.978%0.77839%0.392SS*.Hα-helixtrans-65.8-46-179.8-175.5178.9177.8-175.80112E49 T54 A55E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 2.8Å; E49-K51 VanDerWaalsContact O-N 3.15Å; K51-T54 PolarHBondContact O-N 3.19Å; K51-A55 PolarHBondContact O-N 2.89Å; K51-A55 VanDerWaalsContact O-N 3.14Å
52E94.4Very high95.1Very high120 Ų12077.6 Ų77.656%0.56140%0.399SS*.Hα-helixtrans-67.5-44.1179.2-62.9-172.7142.800111.3V48 E49 T54 A55 A56V48-E52 HydrophobicContact CG1-CB 3.82Å; E49-E52 PolarHBondContact O-N 2.94Å; E49-E52 VanDerWaalsContact O-N 3.12Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 2.78Å; E52-A55 PolarHBondContact O-N 2.91Å; E52-A56 WeakPolarHBondContact O-CB 3.3Å; E52-A56 PolarHBondContact O-N 3.45Å
53Y96.4Very high95.1Very high0 Ų080.3 Ų80.30%041%0.408CS..Hα-helixtrans-56-48173.6165.3-91.9000111.2L39 Q40 Y43 E49 A55 A56 C57 P102 I103 T104L39-Y53 HydrophobicContact CD1-CD2 4.08Å; L39-Y53 HydrophobicContact CD2-CD2 4.25Å; L39-Y53 HydrophobicContact CD2-CE2 4.47Å; L39-Y53 HydrophobicContact CG-CD2 3.85Å; L39-Y53 HydrophobicContact CG-CE2 4.13Å; Q40-Y53 VanDerWaalsContact NE2-CE2 3.28Å; Q40-Y53 PolarHBondContact NE2-OH 3.18Å; Q40-Y53 PolarHBondContact OE1-OH 3.23Å; Y43-Y53 HydrophobicContact CD1-CD1 4.4Å; Y43-Y53 HydrophobicContact CD1-CD2 4.16Å; Y43-Y53 HydrophobicContact CD1-CE1 4.34Å; Y43-Y53 HydrophobicContact CD1-CE2 4.03Å; Y43-Y53 HydrophobicContact CD1-CG 4.3Å; Y43-Y53 HydrophobicContact CD2-CD1 4.12Å; Y43-Y53 AromaticContact CD2-CD2 3.91Å; Y43-Y53 HydrophobicContact CD2-CD2 3.91Å; Y43-Y53 AromaticContact CD2-CG 3.6Å; Y43-Y53 HydrophobicContact CD2-CG 3.6Å; Y43-Y53 HydrophobicContact CE2-CD1 4.31Å; Y43-Y53 HydrophobicContact CE2-CG 4.2Å; Y43-Y53 HydrophobicContact CG-CD1 4.18Å; Y43-Y53 AromaticContact CG-CD2 3.52Å; Y43-Y53 HydrophobicContact CG-CD2 3.52Å; Y43-Y53 AromaticContact CG-CE2 3.83Å; Y43-Y53 HydrophobicContact CG-CE2 3.83Å; Y43-Y53 AromaticContact CG-CG 3.67Å; Y43-Y53 HydrophobicContact CG-CG 3.67Å; E49-Y53 WeakPolarHBondContact O-CB 3.37Å; E49-Y53 PolarHBondContact O-N 3.49Å; Y53-A55 PolarHBondContact O-N 3.26Å; Y53-A56 PolarHBondContact O-N 3.46Å; Y53-C57 HydrophobicContact CE1-CB 4.34Å; Y53-C57 HydrophobicContact CE2-CB 4.33Å; Y53-C57 WeakPolarHBondContact O-CB 3.44Å; Y53-C57 PolarHBondContact O-N 2.93Å; Y53-P102 HydrophobicContact CD1-CB 4.41Å; Y53-P102 HydrophobicContact CE1-CB 3.68Å; Y53-I103 HydrophobicContact CE1-CG2 3.74Å; Y53-I103 VanDerWaalsContact OH-CG2 3.27Å; Y53-I103 WeakPolarHBondContact OH-CG2 3.38Å; Y53-I103 PolarHBondContact OH-N 3.22Å; Y53-I103 VanDerWaalsContact OH-N 3.16Å; Y53-T104 HydrophobicContact CD1-CG2 3.46Å; Y53-T104 VanDerWaalsContact CD1-CG2 3.46Å; Y53-T104 WeakPolarHBondContact CD1-OG1 3.38Å; Y53-T104 HydrophobicContact CE1-CG2 3.75Å
54T92.1Very high95.1Very high32 Ų3278.1 Ų78.120%0.19640%0.399CS..Hα-helixtrans-59.9-48.4-177.8-56.20000110.5S50 K51 E52 S58 P102 T104 I105S50-T54 WeakPolarHBondContact O-CB 3.13Å; S50-T54 PolarHBondContact O-N 2.88Å; S50-T54 PolarHBondContact O-OG1 3.27Å; K51-T54 PolarHBondContact O-N 3.19Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 2.78Å; T54-S58 WeakPolarHBondContact O-CB 3.2Å; T54-S58 PolarHBondContact O-N 3.22Å; T54-S58 PolarHBondContact O-OG 3.35Å; T54-S58 VanDerWaalsContact O-OG 3.06Å; T54-P102 HydrophobicContact CG2-CB 4.37Å; T54-P102 HydrophobicContact CG2-CG 4.16Å; T54-T104 WeakPolarHBondContact OG1-CB 3.31Å; T54-T104 PolarHBondContact OG1-OG1 3.31Å; T54-I105 HydrophobicContact CG2-CD1 4.06Å; T54-I105 HydrophobicContact CG2-CG1 3.9Å
55A92.6Very high95.1Very high67 Ų6776.4 Ų76.455%0.55439%0.387SS*.Hα-helixtrans-63-46.1179.100000112.1K51 E52 Y53 K59K51-A55 PolarHBondContact O-N 2.89Å; K51-A55 VanDerWaalsContact O-N 3.14Å; E52-A55 PolarHBondContact O-N 2.91Å; Y53-A55 PolarHBondContact O-N 3.26Å; A55-K59 WeakPolarHBondContact O-CB 3.28Å; A55-K59 PolarHBondContact O-N 3.38Å; A55-K59 VanDerWaalsContact O-N 3.1Å
56A97.4Very high95Very high37 Ų3773.2 Ų73.231%0.30639%0.385SS..Hα-helixtrans-65.5-44.2179.700000112.1L39 E52 Y53 K59 L60L39-A56 HydrophobicContact CD1-CB 4.28Å; L39-A56 HydrophobicContact CD2-CB 3.77Å; E52-A56 WeakPolarHBondContact O-CB 3.3Å; E52-A56 PolarHBondContact O-N 3.45Å; Y53-A56 PolarHBondContact O-N 3.46Å; A56-K59 PolarHBondContact O-N 2.7Å; A56-L60 WeakPolarHBondContact O-CB 3.44Å; A56-L60 WeakPolarHBondContact O-CG 3.29Å; A56-L60 PolarHBondContact O-N 2.93Å
57C96.8Very high95.1Very high0 Ų067.1 Ų67.10%035%0.354CS..Hα-helixtrans-65.7-43.9179.9-172.40000110.9L39 Y53 K59 L60 L61 P102L39-C57 HydrophobicContact CD2-CB 3.8Å; Y53-C57 HydrophobicContact CE1-CB 4.34Å; Y53-C57 HydrophobicContact CE2-CB 4.33Å; Y53-C57 WeakPolarHBondContact O-CB 3.44Å; Y53-C57 PolarHBondContact O-N 2.93Å; C57-K59 VanDerWaalsContact C-N 3.33Å; C57-K59 PolarHBondContact O-N 3.26Å; C57-L60 PolarHBondContact O-N 2.87Å; C57-L61 WeakPolarHBondContact O-CB 3.26Å; C57-L61 VanDerWaalsContact O-CG 3.25Å; C57-L61 WeakPolarHBondContact O-CG 3.35Å; C57-L61 PolarHBondContact O-N 3.05Å; C57-P102 HydrophobicContact CB-CB 3.85Å; C57-P102 HydrophobicContact CB-CG 3.82Å
58S92.7Very high95.1Very high46 Ų4659.8 Ų59.832%0.32233%0.325SS..Hα-helixtrans-59.1-43.8175.2-68.60000111.9T54 L61 V62 P102T54-S58 WeakPolarHBondContact O-CB 3.2Å; T54-S58 PolarHBondContact O-N 3.22Å; T54-S58 PolarHBondContact O-OG 3.35Å; T54-S58 VanDerWaalsContact O-OG 3.06Å; S58-L61 PolarHBondContact O-N 3.11Å; S58-V62 WeakPolarHBondContact O-CG2 3.26Å; S58-V62 PolarHBondContact O-N 3.06Å; S58-P102 VanDerWaalsContact OG-CG 3.28Å; S58-P102 WeakPolarHBondContact OG-CG 3.2Å
59K96.1Very high95.1Very high137 Ų13766.1 Ų66.160%0.59635%0.35SS*.Hα-helixtrans-62-47.2176.2-176.9-179.5177.6-177.80111.9A55 A56 C57 L61 V62 Q63A55-K59 WeakPolarHBondContact O-CB 3.28Å; A55-K59 PolarHBondContact O-N 3.38Å; A55-K59 VanDerWaalsContact O-N 3.1Å; A56-K59 PolarHBondContact O-N 2.7Å; C57-K59 VanDerWaalsContact C-N 3.33Å; C57-K59 PolarHBondContact O-N 3.26Å; K59-L61 VanDerWaalsContact C-N 3.32Å; K59-L61 PolarHBondContact O-N 3.47Å; K59-V62 PolarHBondContact O-N 3.27Å; K59-Q63 WeakPolarHBondContact O-CG 3.25Å; K59-Q63 PolarHBondContact O-N 3.41Å
60L98Very high95.1Very high18 Ų1865.8 Ų65.89%0.09435%0.349CS..Hα-helixtrans-64.2-36.1179.6-74.6166.1000112.4T35 I36 L39 A56 C57 V62 Q63 Y64T35-L60 HydrophobicContact CG2-CD1 3.91Å; T35-L60 HydrophobicContact CG2-CD2 3.64Å; T35-L60 HydrophobicContact CG2-CG 4.45Å; I36-L60 HydrophobicContact CD1-CB 4.18Å; I36-L60 HydrophobicContact CG1-CB 3.62Å; I36-L60 HydrophobicContact CG1-CD1 4.07Å; I36-L60 HydrophobicContact CG1-CG 4.31Å; L39-L60 HydrophobicContact CB-CD1 4.32Å; L39-L60 HydrophobicContact CD2-CD1 3.62Å; A56-L60 WeakPolarHBondContact O-CB 3.44Å; A56-L60 WeakPolarHBondContact O-CG 3.29Å; A56-L60 PolarHBondContact O-N 2.93Å; C57-L60 PolarHBondContact O-N 2.87Å; L60-V62 VanDerWaalsContact C-N 3.34Å; L60-Q63 PolarHBondContact O-N 2.77Å; L60-Y64 VanDerWaalsContact O-CB 3.31Å; L60-Y64 WeakPolarHBondContact O-CB 3.5Å; L60-Y64 PolarHBondContact O-N 2.98Å
61L96.1Very high95.3Very high7 Ų763.9 Ų63.94%0.03734%0.335CS..Hα-helixtrans-66.2-36.6176.2-72.1168.2000112I36 C57 S58 K59 K65 I97I36-L61 HydrophobicContact CD1-CD2 4.42Å; C57-L61 WeakPolarHBondContact O-CB 3.26Å; C57-L61 VanDerWaalsContact O-CG 3.25Å; C57-L61 WeakPolarHBondContact O-CG 3.35Å; C57-L61 PolarHBondContact O-N 3.05Å; S58-L61 PolarHBondContact O-N 3.11Å; K59-L61 VanDerWaalsContact C-N 3.32Å; K59-L61 PolarHBondContact O-N 3.47Å; L61-K65 WeakPolarHBondContact O-CG 3.4Å; L61-K65 PolarHBondContact O-N 3.19Å; L61-K65 VanDerWaalsContact O-N 3.1Å; L61-I97 HydrophobicContact CD2-CG1 4.23Å
62V94.6Very high95.4Very high100 Ų10060.7 Ų60.761%0.60632%0.323SS*.Hα-helixtrans-65.9-45.7172.1173.40000110.9S58 K59 L60 Y64 K65 A66S58-V62 WeakPolarHBondContact O-CG2 3.26Å; S58-V62 PolarHBondContact O-N 3.06Å; K59-V62 PolarHBondContact O-N 3.27Å; L60-V62 VanDerWaalsContact C-N 3.34Å; V62-Y64 VanDerWaalsContact C-N 3.32Å; V62-Y64 PolarHBondContact O-N 2.93Å; V62-K65 PolarHBondContact O-N 3.45Å; V62-A66 PolarHBondContact O-N 3.33Å; V62-A66 VanDerWaalsContact O-N 3.12Å
63Q97.3Very high95.3Very high78 Ų7856.7 Ų56.736%0.36431%0.314SS..Hα-helixtrans-60.9-41.5176.4-70.7173.9-36.200111.8V32 K59 L60 A66 A67V32-Q63 HydrophobicContact CG1-CB 4.42Å; V32-Q63 HydrophobicContact CG2-CB 4.47Å; K59-Q63 WeakPolarHBondContact O-CG 3.25Å; K59-Q63 PolarHBondContact O-N 3.41Å; L60-Q63 PolarHBondContact O-N 2.77Å; Q63-A66 PolarHBondContact O-N 3.03Å; Q63-A67 WeakPolarHBondContact O-CB 3.43Å; Q63-A67 PolarHBondContact O-N 3.46Å
64Y97.7Very high95.1Very high19 Ų1965.2 Ų65.28%0.07536%0.359CS..Hα-helixtrans-57.7-49.6174.8158.9-99.3000111.2L29 I33 L60 V62 A66 A67 F68 I79 I97L29-Y64 HydrophobicContact CD1-CD2 3.86Å; L29-Y64 HydrophobicContact CD1-CE2 3.98Å; I33-Y64 HydrophobicContact CG1-CD2 4.33Å; L60-Y64 VanDerWaalsContact O-CB 3.31Å; L60-Y64 WeakPolarHBondContact O-CB 3.5Å; L60-Y64 PolarHBondContact O-N 2.98Å; V62-Y64 VanDerWaalsContact C-N 3.32Å; V62-Y64 PolarHBondContact O-N 2.93Å; Y64-A66 VanDerWaalsContact C-N 3.3Å; Y64-A66 PolarHBondContact O-N 2.98Å; Y64-A67 PolarHBondContact O-N 3.44Å; Y64-F68 HydrophobicContact CE2-CB 4.01Å; Y64-F68 HydrophobicContact CE2-CG 4.37Å; Y64-F68 WeakPolarHBondContact O-CB 3.46Å; Y64-F68 PolarHBondContact O-N 3.36Å; Y64-I79 HydrophobicContact CE2-CD1 3.67Å; Y64-I79 HydrophobicContact CE2-CG1 3.89Å; Y64-I79 WeakPolarHBondContact OH-CB 3.36Å; Y64-I97 HydrophobicContact CD1-CD1 4.5Å; Y64-I97 HydrophobicContact CD1-CG1 4.01Å; Y64-I97 HydrophobicContact CD1-CG2 4.13Å; Y64-I97 HydrophobicContact CD2-CD1 3.77Å; Y64-I97 HydrophobicContact CD2-CG1 4.18Å; Y64-I97 HydrophobicContact CE1-CB 4.28Å; Y64-I97 HydrophobicContact CE1-CG1 4.1Å; Y64-I97 HydrophobicContact CE1-CG2 3.37Å; Y64-I97 HydrophobicContact CE2-CD1 3.76Å; Y64-I97 HydrophobicContact CE2-CG1 4.24Å; Y64-I97 HydrophobicContact CE2-CG2 4.08Å; Y64-I97 HydrophobicContact CG-CD1 4.15Å; Y64-I97 HydrophobicContact CG-CG1 4.07Å; Y64-I97 WeakPolarHBondContact OH-CG2 3.28Å
65K94.3Very high95.1Very high87 Ų8767.8 Ų67.838%0.37837%0.369SS..Hα-helixtrans-59.4-42.9179.6-72.1176.1-175.8-178.80111.6L61 V62 K69 Y152L61-K65 WeakPolarHBondContact O-CG 3.4Å; L61-K65 PolarHBondContact O-N 3.19Å; L61-K65 VanDerWaalsContact O-N 3.1Å; V62-K65 PolarHBondContact O-N 3.45Å; K65-K69 WeakPolarHBondContact O-CB 3.07Å; K65-K69 PolarHBondContact O-N 2.88Å; K65-K69 VanDerWaalsContact O-N 3.08Å; K65-Y152 VanDerWaalsContact CE-OH 3.22Å; K65-Y152 WeakPolarHBondContact CE-OH 3.24Å; K65-Y152 PolarHBondContact NZ-OH 2.91Å
66A95.3Very high95.2Very high61 Ų6164.8 Ų64.850%0.50434%0.343SS..Hα-helixtrans-64.9-46.2177.100000111.9V62 Q63 Y64 K69 Q70V62-A66 PolarHBondContact O-N 3.33Å; V62-A66 VanDerWaalsContact O-N 3.12Å; Q63-A66 PolarHBondContact O-N 3.03Å; Y64-A66 VanDerWaalsContact C-N 3.3Å; Y64-A66 PolarHBondContact O-N 2.98Å; A66-K69 PolarHBondContact O-N 3.26Å; A66-Q70 WeakPolarHBondContact O-CG 3.41Å; A66-Q70 PolarHBondContact O-N 3.32Å
67A97.2Very high95Very high11 Ų1165.8 Ų65.89%0.09135%0.352CS..Hα-helixtrans-64.9-42.4178.400000112.1L29 Q63 Y64 K69 Q70 V71L29-A67 HydrophobicContact CB-CB 4.21Å; L29-A67 HydrophobicContact CD1-CB 4.12Å; Q63-A67 WeakPolarHBondContact O-CB 3.43Å; Q63-A67 PolarHBondContact O-N 3.46Å; Y64-A67 PolarHBondContact O-N 3.44Å; A67-K69 VanDerWaalsContact C-N 3.34Å; A67-K69 PolarHBondContact O-N 2.84Å; A67-Q70 WeakPolarHBondContact O-CB 3.35Å; A67-Q70 PolarHBondContact O-N 2.96Å; A67-V71 PolarHBondContact O-N 2.73Å
68F97Very high94.9Very high24 Ų2468.6 Ų68.611%0.10537%0.369CS..Hα-helixtrans-64-40.8178.2-173.8-111.6000111.2L29 Y64 Q70 V71 Q72 I79L29-F68 HydrophobicContact CD1-CB 4.08Å; L29-F68 HydrophobicContact CD1-CD2 4.46Å; L29-F68 HydrophobicContact CD2-CD2 3.9Å; Y64-F68 HydrophobicContact CE2-CB 4.01Å; Y64-F68 HydrophobicContact CE2-CG 4.37Å; Y64-F68 WeakPolarHBondContact O-CB 3.46Å; Y64-F68 PolarHBondContact O-N 3.36Å; F68-Q70 PolarHBondContact O-N 3.32Å; F68-V71 CarbonylContact O-C 3.57Å; F68-V71 PolarHBondContact O-N 2.85Å; F68-Q72 HydrophobicContact CE1-CB 4.34Å; F68-Q72 HydrophobicContact CE1-CG 4.12Å; F68-Q72 HydrophobicContact CZ-CG 4.33Å; F68-Q72 WeakPolarHBondContact O-CB 3.4Å; F68-Q72 PolarHBondContact O-N 3.32Å; F68-I79 HydrophobicContact CD2-CD1 4.08Å; F68-I79 HydrophobicContact CE2-CB 4.21Å; F68-I79 HydrophobicContact CE2-CD1 4.28Å
69K95.2Very high95.1Very high165 Ų16566.9 Ų66.972%0.71736%0.356SS*.Hα-helixtrans-58.8-32.2175.7-171.4177.9-179.4-179.40113.2K65 A66 A67 V71K65-K69 WeakPolarHBondContact O-CB 3.07Å; K65-K69 PolarHBondContact O-N 2.88Å; K65-K69 VanDerWaalsContact O-N 3.08Å; A66-K69 PolarHBondContact O-N 3.26Å; A67-K69 VanDerWaalsContact C-N 3.34Å; A67-K69 PolarHBondContact O-N 2.84Å; K69-V71 VanDerWaalsContact C-N 3.3Å
70Q94.6Very high95Very high134 Ų13463 Ų6363%0.62634%0.34SS*.Hα-helixtrans-74.4-20.3176.8-63.3-75.724.700113.3N25 A66 A67 F68N25-Q70 HydrophobicContact CB-CB 4.36Å; A66-Q70 WeakPolarHBondContact O-CG 3.41Å; A66-Q70 PolarHBondContact O-N 3.32Å; A67-Q70 WeakPolarHBondContact O-CB 3.35Å; A67-Q70 PolarHBondContact O-N 2.96Å; F68-Q70 PolarHBondContact O-N 3.32Å
71V95Very high95Very high20 Ų2064.3 Ų64.312%0.12135%0.347CS..Hα-helixtrans-105.6-22.2-175.8172.30000112.2N25 L26 L29 A67 F68 K69 G73 F76 F82N25-V71 HydrophobicContact CB-CG2 4.1Å; L26-V71 HydrophobicContact CD2-CB 4.41Å; L26-V71 HydrophobicContact CD2-CG1 3.44Å; L26-V71 VanDerWaalsContact CD2-CG1 3.44Å; L26-V71 HydrophobicContact CD2-CG2 4.08Å; L29-V71 HydrophobicContact CB-CG2 4.23Å; L29-V71 HydrophobicContact CD2-CB 3.9Å; L29-V71 HydrophobicContact CD2-CG1 3.87Å; L29-V71 HydrophobicContact CD2-CG2 4.01Å; A67-V71 PolarHBondContact O-N 2.73Å; F68-V71 CarbonylContact O-C 3.57Å; F68-V71 PolarHBondContact O-N 2.85Å; K69-V71 VanDerWaalsContact C-N 3.3Å; V71-G73 PolarHBondContact O-N 2.99Å; V71-F76 HydrophobicContact CG1-CB 4.33Å; V71-F76 HydrophobicContact CG1-CD2 3.54Å; V71-F76 HydrophobicContact CG1-CE2 4.23Å; V71-F76 HydrophobicContact CG1-CG 4.2Å; V71-F82 HydrophobicContact CG1-CD2 4.09Å; V71-F82 HydrophobicContact CG1-CE2 4.3Å
72Q93.4Very high95Very high112 Ų11264 Ų6452%0.52335%0.346SS..  trans-60.7132.6-175.4-168.5176.128.800111.6F68F68-Q72 HydrophobicContact CE1-CB 4.34Å; F68-Q72 HydrophobicContact CE1-CG 4.12Å; F68-Q72 HydrophobicContact CZ-CG 4.33Å; F68-Q72 WeakPolarHBondContact O-CB 3.4Å; F68-Q72 PolarHBondContact O-N 3.32Å
73G92.6Very high95.2Very high36 Ų3660 Ų6037%0.37132%0.32SS..BIsolated β-bridgetrans172.4-165.5-179.800000110.6V71 E75 F76 A77V71-G73 PolarHBondContact O-N 2.99Å; G73-E75 PolarHBondContact O-N 3.4Å; G73-E75 VanDerWaalsContact O-N 3.16Å; G73-F76 PolarHBondContact N-O 2.97Å; G73-F76 CarbonylContact O-C 3.54Å; G73-F76 PolarHBondContact O-N 3.03Å; G73-A77 PolarHBondContact O-N 2.74Å
74D90.5Very high95.2Very high178 Ų17864.3 Ų64.395%0.95233%0.333SS*.THydrogen-bonded Turntrans-58.4-32-175.5-61.1-17.5000113.6
75E92.4Very high95.1Very high86 Ų8669.5 Ų69.540%0.40236%0.356SS..THydrogen-bonded Turntrans-73.9-31.3178.3-165.6178.1-179.100112.2K22 G73K22-E75 IonicContact NZ-OE2 2.79Å; K22-E75 PolarHBondContact NZ-OE2 3.43Å; G73-E75 PolarHBondContact O-N 3.4Å; G73-E75 VanDerWaalsContact O-N 3.16Å
76F95Very high95.2Very high5 Ų569 Ų692%0.02235%0.352CS..BIsolated β-bridgetrans-140.573.5-172.1-54.3-58.3000110.3L26 V71 G73 T78 F82 K85 Y86L26-F76 HydrophobicContact CD2-CD2 4.1Å; L26-F76 HydrophobicContact CD2-CE2 3.54Å; L26-F76 HydrophobicContact CD2-CZ 4.32Å; V71-F76 HydrophobicContact CG1-CB 4.33Å; V71-F76 HydrophobicContact CG1-CD2 3.54Å; V71-F76 HydrophobicContact CG1-CE2 4.23Å; V71-F76 HydrophobicContact CG1-CG 4.2Å; G73-F76 PolarHBondContact N-O 2.97Å; G73-F76 CarbonylContact O-C 3.54Å; G73-F76 PolarHBondContact O-N 3.03Å; F76-T78 VanDerWaalsContact C-N 3.35Å; F76-F82 HydrophobicContact CB-CB 4.49Å; F76-F82 HydrophobicContact CD1-CB 3.88Å; F76-F82 HydrophobicContact CD1-CD2 4.11Å; F76-F82 HydrophobicContact CD1-CG 4.5Å; F76-F82 HydrophobicContact CD2-CD2 4.24Å; F76-F82 HydrophobicContact CE1-CB 4.43Å; F76-F82 HydrophobicContact CE1-CD2 4.15Å; F76-F82 HydrophobicContact CE2-CD2 4.28Å; F76-F82 HydrophobicContact CG-CB 4.26Å; F76-F82 HydrophobicContact CG-CD2 4.16Å; F76-F82 HydrophobicContact CZ-CD2 4.23Å; F76-K85 HydrophobicContact CE1-CB 3.76Å; F76-K85 HydrophobicContact CE1-CG 3.83Å; F76-K85 HydrophobicContact CZ-CB 4.48Å; F76-K85 HydrophobicContact CZ-CG 4.1Å; F76-Y86 HydrophobicContact CE1-CE2 4.09Å; F76-Y86 HydrophobicContact CE2-CE2 4.34Å; F76-Y86 AromaticContact CZ-CE2 3.61Å; F76-Y86 HydrophobicContact CZ-CE2 3.61Å
77A94.2Very high95.3Very high58 Ų5875 Ų7548%0.47937%0.367SS..SBendtrans-68.5-38.9177.100000111.2G73G73-A77 PolarHBondContact O-N 2.74Å
78T94.4Very high95.4Very high59 Ų5975.3 Ų75.336%0.36237%0.367SS..SBendtrans-120160.9178.268.40000111.8F76 E80 D81 F82F76-T78 VanDerWaalsContact C-N 3.35Å; T78-E80 PolarHBondContact O-N 3.3Å; T78-D81 PolarHBondContact N-OD2 2.96Å; T78-D81 VanDerWaalsContact N-OD2 3.13Å; T78-D81 PolarHBondContact O-N 3.04Å; T78-D81 PolarHBondContact OG1-N 2.77Å; T78-D81 PolarHBondContact OG1-OD2 3.4Å; T78-F82 PolarHBondContact O-N 3.36Å
79I95.4Very high95.3Very high9 Ų980.5 Ų80.55%0.04640%0.396CS..Hα-helixtrans-65.6-31.2174.7-174.654.4000111.7L29 I33 Y64 F68 D81 F82 M83 L94 I97L29-I79 HydrophobicContact CD1-CD1 4.45Å; I33-I79 HydrophobicContact CD1-CD1 3.59Å; I33-I79 HydrophobicContact CG1-CD1 4.37Å; Y64-I79 HydrophobicContact CE2-CD1 3.67Å; Y64-I79 HydrophobicContact CE2-CG1 3.89Å; Y64-I79 WeakPolarHBondContact OH-CB 3.36Å; F68-I79 HydrophobicContact CD2-CD1 4.08Å; F68-I79 HydrophobicContact CE2-CB 4.21Å; F68-I79 HydrophobicContact CE2-CD1 4.28Å; I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 PolarHBondContact O-N 3.01Å; I79-F82 HydrophobicContact CD1-CB 4.35Å; I79-F82 HydrophobicContact CD1-CD1 4.26Å; I79-F82 WeakPolarHBondContact O-CB 3.22Å; I79-F82 PolarHBondContact O-N 3.34Å; I79-M83 HydrophobicContact CD1-CG 4.5Å; I79-M83 HydrophobicContact CG1-CG 4.41Å; I79-M83 HydrophobicContact CG1-SD 4.35Å; I79-M83 WeakPolarHBondContact O-CG 3.1Å; I79-M83 PolarHBondContact O-N 2.85Å; I79-L94 HydrophobicContact CG2-CD1 3.9Å; I79-I97 HydrophobicContact CG2-CG2 4.27Å
80E95.8Very high95.4Very high57 Ų5772.8 Ų72.827%0.26636%0.362SS..Hα-helixtrans-62.3-36174.8-67.892.2150.400112.4T78 M83 R84 L94 K98T78-E80 PolarHBondContact O-N 3.3Å; E80-M83 PolarHBondContact O-N 2.96Å; E80-R84 WeakPolarHBondContact O-CB 3.39Å; E80-R84 PolarHBondContact O-N 2.85Å; E80-L94 HydrophobicContact CG-CD1 4.24Å; E80-L94 HydrophobicContact CG-CD2 4.44Å; E80-K98 WeakPolarHBondContact OE1-CE 3.36Å; E80-K98 IonicContact OE1-NZ 2.7Å; E80-K98 PolarHBondContact OE1-NZ 3.42Å
81D96.5Very high95.5Very high45 Ų4569.9 Ų69.924%0.24136%0.355CS..Hα-helixtrans-64.9-43.7176.1-61.3-41.3000111.1T78 I79 R84 K85T78-D81 PolarHBondContact N-OD2 2.96Å; T78-D81 VanDerWaalsContact N-OD2 3.13Å; T78-D81 PolarHBondContact O-N 3.04Å; T78-D81 PolarHBondContact OG1-N 2.77Å; T78-D81 PolarHBondContact OG1-OD2 3.4Å; I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 PolarHBondContact O-N 3.01Å; D81-R84 PolarHBondContact O-N 3.16Å; D81-R84 IonicContact OD1-CZ 2.64Å; D81-R84 IonicContact OD1-NH1 3.3Å; D81-R84 PolarHBondContact OD1-NH1 2.81Å; D81-R84 IonicContact OD1-NH2 3.26Å; D81-K85 WeakPolarHBondContact O-CB 3.32Å; D81-K85 PolarHBondContact O-N 3.21Å
82F97.4Very high95.6Very high1 Ų170.1 Ų70.10%0.00436%0.36CS..Hα-helixtrans-62.2-50.5175.3-179.5-92.1000111.6L26 L29 I33 V71 F76 T78 I79 R84 K85 Y86 M88L26-F82 HydrophobicContact CB-CE2 4.4Å; L26-F82 HydrophobicContact CD2-CD2 4.19Å; L26-F82 HydrophobicContact CD2-CE2 3.63Å; L26-F82 WeakPolarHBondContact O-CZ 3.29Å; L29-F82 HydrophobicContact CB-CE1 4.49Å; L29-F82 HydrophobicContact CB-CZ 4.15Å; L29-F82 HydrophobicContact CD2-CD1 3.93Å; L29-F82 HydrophobicContact CD2-CD2 3.78Å; L29-F82 HydrophobicContact CD2-CE1 3.93Å; L29-F82 HydrophobicContact CD2-CE2 3.78Å; L29-F82 HydrophobicContact CD2-CG 3.86Å; L29-F82 HydrophobicContact CD2-CZ 3.86Å; L29-F82 HydrophobicContact CG-CD1 4.24Å; L29-F82 HydrophobicContact CG-CE1 3.88Å; L29-F82 HydrophobicContact CG-CE2 4.37Å; L29-F82 HydrophobicContact CG-CZ 3.95Å; I33-F82 HydrophobicContact CD1-CD1 3.84Å; I33-F82 HydrophobicContact CD1-CE1 3.76Å; V71-F82 HydrophobicContact CG1-CD2 4.09Å; V71-F82 HydrophobicContact CG1-CE2 4.3Å; F76-F82 HydrophobicContact CB-CB 4.49Å; F76-F82 HydrophobicContact CD1-CB 3.88Å; F76-F82 HydrophobicContact CD1-CD2 4.11Å; F76-F82 HydrophobicContact CD1-CG 4.5Å; F76-F82 HydrophobicContact CD2-CD2 4.24Å; F76-F82 HydrophobicContact CE1-CB 4.43Å; F76-F82 HydrophobicContact CE1-CD2 4.15Å; F76-F82 HydrophobicContact CE2-CD2 4.28Å; F76-F82 HydrophobicContact CG-CB 4.26Å; F76-F82 HydrophobicContact CG-CD2 4.16Å; F76-F82 HydrophobicContact CZ-CD2 4.23Å; T78-F82 PolarHBondContact O-N 3.36Å; I79-F82 HydrophobicContact CD1-CB 4.35Å; I79-F82 HydrophobicContact CD1-CD1 4.26Å; I79-F82 WeakPolarHBondContact O-CB 3.22Å; I79-F82 PolarHBondContact O-N 3.34Å; F82-R84 VanDerWaalsContact C-N 3.29Å; F82-R84 PolarHBondContact O-N 2.97Å; F82-K85 PolarHBondContact O-N 3.1Å; F82-Y86 HydrophobicContact CD1-CD2 4.32Å; F82-Y86 AromaticContact CD2-CD2 3.69Å; F82-Y86 HydrophobicContact CD2-CD2 3.69Å; F82-Y86 AromaticContact CD2-CE2 3.61Å; F82-Y86 HydrophobicContact CD2-CE2 3.61Å; F82-Y86 HydrophobicContact CE1-CD2 4.12Å; F82-Y86 AromaticContact CE2-CD2 3.45Å; F82-Y86 HydrophobicContact CE2-CD2 3.45Å; F82-Y86 VanDerWaalsContact CE2-CD2 3.45Å; F82-Y86 AromaticContact CE2-CE2 3.31Å; F82-Y86 HydrophobicContact CE2-CE2 3.31Å; F82-Y86 HydrophobicContact CG-CD2 4.12Å; F82-Y86 HydrophobicContact CG-CE2 4.46Å; F82-Y86 AromaticContact CZ-CD2 3.69Å; F82-Y86 HydrophobicContact CZ-CD2 3.69Å; F82-Y86 AromaticContact CZ-CE2 3.97Å; F82-Y86 HydrophobicContact CZ-CE2 3.97Å; F82-Y86 WeakPolarHBondContact O-CD2 3.36Å; F82-Y86 PolarHBondContact O-N 3.4Å; F82-M88 HydrophobicContact CD1-SD 3.96Å; F82-M88 HydrophobicContact CE1-SD 3.58Å; F82-M88 VanDerWaalsContact CE1-SD 3.58Å
83M97.6Very high95.8Very high15 Ų1564.8 Ų64.87%0.07434%0.335CS..Hα-helixtrans-60.7-38.6179-72.1-176.565.200111.9I79 E80 K87 M88 C90 L94I79-M83 HydrophobicContact CD1-CG 4.5Å; I79-M83 HydrophobicContact CG1-CG 4.41Å; I79-M83 HydrophobicContact CG1-SD 4.35Å; I79-M83 WeakPolarHBondContact O-CG 3.1Å; I79-M83 PolarHBondContact O-N 2.85Å; E80-M83 PolarHBondContact O-N 2.96Å; M83-K87 CarbonylContact O-C 3.56Å; M83-K87 WeakPolarHBondContact O-CA 3.45Å; M83-K87 PolarHBondContact O-N 3.44Å; M83-M88 HydrophobicContact CB-CB 4.07Å; M83-M88 HydrophobicContact CE-CB 4.17Å; M83-M88 WeakPolarHBondContact CE-O 3.38Å; M83-M88 HydrophobicContact CG-CB 4.09Å; M83-M88 HydrophobicContact CG-SD 4.21Å; M83-M88 PolarHBondContact O-N 3.47Å; M83-C90 HydrophobicContact CE-CB 3.74Å; M83-L94 HydrophobicContact CE-CB 4.34Å; M83-L94 HydrophobicContact SD-CB 4.2Å; M83-L94 HydrophobicContact SD-CD1 3.98Å; M83-L94 HydrophobicContact SD-CG 4.47Å
84R97Very high95.9Very high169 Ų16964.6 Ų64.664%0.63833%0.325SS*.Hα-helixtrans-65.7-46.7176.3-170.5-173-55.7117.24.6111.5E80 D81 F82 Y86 K87E80-R84 WeakPolarHBondContact O-CB 3.39Å; E80-R84 PolarHBondContact O-N 2.85Å; D81-R84 PolarHBondContact O-N 3.16Å; D81-R84 IonicContact OD1-CZ 2.64Å; D81-R84 IonicContact OD1-NH1 3.3Å; D81-R84 PolarHBondContact OD1-NH1 2.81Å; D81-R84 IonicContact OD1-NH2 3.26Å; F82-R84 VanDerWaalsContact C-N 3.29Å; F82-R84 PolarHBondContact O-N 2.97Å; R84-Y86 PolarHBondContact O-N 3.09Å; R84-K87 PolarHBondContact O-N 2.81Å
85K96.8Very high96Very high128 Ų12860.9 Ų60.956%0.55730%0.302SS*.Hα-helixtrans-59.3-45.7-179.8-179.272.3171-165.80111.9F76 D81 F82F76-K85 HydrophobicContact CE1-CB 3.76Å; F76-K85 HydrophobicContact CE1-CG 3.83Å; F76-K85 HydrophobicContact CZ-CB 4.48Å; F76-K85 HydrophobicContact CZ-CG 4.1Å; D81-K85 WeakPolarHBondContact O-CB 3.32Å; D81-K85 PolarHBondContact O-N 3.21Å; F82-K85 PolarHBondContact O-N 3.1Å
86Y96.9Very high96Very high76 Ų7657.6 Ų57.630%0.29829%0.286SS..THydrogen-bonded Turntrans-95.110.6-177.7-64-72000113.9L26 F76 F82 R84 M88L26-Y86 WeakPolarHBondContact CD1-OH 3.19Å; L26-Y86 HydrophobicContact CD2-CE2 4.29Å; F76-Y86 HydrophobicContact CE1-CE2 4.09Å; F76-Y86 HydrophobicContact CE2-CE2 4.34Å; F76-Y86 AromaticContact CZ-CE2 3.61Å; F76-Y86 HydrophobicContact CZ-CE2 3.61Å; F82-Y86 HydrophobicContact CD1-CD2 4.32Å; F82-Y86 AromaticContact CD2-CD2 3.69Å; F82-Y86 HydrophobicContact CD2-CD2 3.69Å; F82-Y86 AromaticContact CD2-CE2 3.61Å; F82-Y86 HydrophobicContact CD2-CE2 3.61Å; F82-Y86 HydrophobicContact CE1-CD2 4.12Å; F82-Y86 AromaticContact CE2-CD2 3.45Å; F82-Y86 HydrophobicContact CE2-CD2 3.45Å; F82-Y86 VanDerWaalsContact CE2-CD2 3.45Å; F82-Y86 AromaticContact CE2-CE2 3.31Å; F82-Y86 HydrophobicContact CE2-CE2 3.31Å; F82-Y86 HydrophobicContact CG-CD2 4.12Å; F82-Y86 HydrophobicContact CG-CE2 4.46Å; F82-Y86 AromaticContact CZ-CD2 3.69Å; F82-Y86 HydrophobicContact CZ-CD2 3.69Å; F82-Y86 AromaticContact CZ-CE2 3.97Å; F82-Y86 HydrophobicContact CZ-CE2 3.97Å; F82-Y86 WeakPolarHBondContact O-CD2 3.36Å; F82-Y86 PolarHBondContact O-N 3.4Å; R84-Y86 PolarHBondContact O-N 3.09Å; Y86-M88 VanDerWaalsContact C-N 3.27Å; Y86-M88 PolarHBondContact O-N 3.41Å
87K97.2Very high96Very high188 Ų18858 Ų5882%0.81729%0.288SS*.THydrogen-bonded Turntrans53.242.6175.6-55.5-179.5-179.1179.70113.1M83 R84 D89M83-K87 CarbonylContact O-C 3.56Å; M83-K87 WeakPolarHBondContact O-CA 3.45Å; M83-K87 PolarHBondContact O-N 3.44Å; R84-K87 PolarHBondContact O-N 2.81Å; K87-D89 PolarHBondContact O-N 3Å
88M97.7Very high95.8Very high16 Ų1659.6 Ų59.68%0.07928%0.284CS..  trans-79117-179.5-58.1-169.773.400110.9Y30 I33 N34 F82 M83 Y86 C90Y30-M88 HydrophobicContact CD2-CE 3.55Å; Y30-M88 HydrophobicContact CD2-CG 3.83Å; Y30-M88 HydrophobicContact CD2-SD 3.47Å; Y30-M88 WeakPolarHBondContact CD2-SD 3.41Å; Y30-M88 HydrophobicContact CE2-CE 3.75Å; Y30-M88 HydrophobicContact CE2-CG 3.61Å; Y30-M88 HydrophobicContact CE2-SD 3.87Å; Y30-M88 HydrophobicContact CG-CE 3.95Å; Y30-M88 HydrophobicContact CG-SD 4.27Å; Y30-M88 WeakPolarHBondContact O-CE 3.3Å; I33-M88 HydrophobicContact CB-CE 3.72Å; I33-M88 HydrophobicContact CD1-CE 4.16Å; I33-M88 HydrophobicContact CD1-SD 3.92Å; I33-M88 HydrophobicContact CG2-CE 3.7Å; I33-M88 HydrophobicContact CG2-SD 4.45Å; N34-M88 WeakPolarHBondContact ND2-CE 3.33Å; F82-M88 HydrophobicContact CD1-SD 3.96Å; F82-M88 HydrophobicContact CE1-SD 3.58Å; F82-M88 VanDerWaalsContact CE1-SD 3.58Å; M83-M88 HydrophobicContact CB-CB 4.07Å; M83-M88 HydrophobicContact CE-CB 4.17Å; M83-M88 WeakPolarHBondContact CE-O 3.38Å; M83-M88 HydrophobicContact CG-CB 4.09Å; M83-M88 HydrophobicContact CG-SD 4.21Å; M83-M88 PolarHBondContact O-N 3.47Å; Y86-M88 VanDerWaalsContact C-N 3.27Å; Y86-M88 PolarHBondContact O-N 3.41Å; M88-C90 PolarHBondContact O-N 3.47Å
89D96.6Very high95.4Very high134 Ų13461.1 Ų61.172%0.71729%0.287SS*.  trans-93.477.1171.1-176.224.2000110.7K87 P91K87-D89 PolarHBondContact O-N 3Å; D89-P91 VanDerWaalsContact C-CD 3.4Å; D89-P91 WeakPolarHBondContact OD1-CD 3.45Å
90C97.3Very high95.1Very high2 Ų261.4 Ų61.41%0.01429%0.293CS..  trans-127.258.9-176.6-620000112.8I33 Q37 M83 M88 A92 A93 L94I33-C90 HydrophobicContact CG2-CB 3.91Å; Q37-C90 HydrophobicContact CB-CB 3.99Å; Q37-C90 HydrophobicContact CG-CB 4.02Å; M83-C90 HydrophobicContact CE-CB 3.74Å; M88-C90 PolarHBondContact O-N 3.47Å; C90-A92 PolarHBondContact O-N 3.37Å; C90-A93 HydrophobicContact CB-CB 3.99Å; C90-A93 PolarHBondContact O-N 3.49Å; C90-L94 PolarHBondContact O-N 3.22Å
91P96.8Very high94.7Very high73 Ų7361 Ų6147%0.47429%0.288SS..Hα-helixtrans-61.9-39.2-174.722.7-34.1000113.3D89 L94 E95D89-P91 VanDerWaalsContact C-CD 3.4Å; D89-P91 WeakPolarHBondContact OD1-CD 3.45Å; P91-L94 PolarHBondContact O-N 3.39Å; P91-E95 WeakPolarHBondContact O-CG 3.5Å; P91-E95 PolarHBondContact O-N 3.43Å
92A95.7Very high94.4Very high26 Ų2658.9 Ų58.922%0.21528%0.278CS..Hα-helixtrans-69.7-36.2179.900000111.8Q37 Q40 C90 R96Q37-A92 VanDerWaalsContact OE1-CB 3.27Å; Q40-A92 HydrophobicContact CB-CB 3.73Å; Q40-A92 HydrophobicContact CG-CB 3.95Å; C90-A92 PolarHBondContact O-N 3.37Å; A92-R96 WeakPolarHBondContact O-CG 3.19Å; A92-R96 PolarHBondContact O-N 2.99Å; A92-R96 VanDerWaalsContact O-N 3.14Å
93A97.4Very high93.9Very high0 Ų062.3 Ų62.30%030%0.295CS..Hα-helixtrans-64.7-44171.900000111.9I33 I36 Q37 C90 E95 R96 I97I33-A93 HydrophobicContact CG2-CB 4.04Å; I33-A93 WeakPolarHBondContact O-CB 2.92Å; I36-A93 HydrophobicContact CB-CB 3.97Å; I36-A93 HydrophobicContact CG2-CB 3.73Å; Q37-A93 HydrophobicContact CB-CB 3.97Å; C90-A93 HydrophobicContact CB-CB 3.99Å; C90-A93 PolarHBondContact O-N 3.49Å; A93-E95 VanDerWaalsContact C-N 3.34Å; A93-E95 PolarHBondContact O-N 3.12Å; A93-R96 PolarHBondContact O-N 3.43Å; A93-I97 VanDerWaalsContact O-CB 3.32Å; A93-I97 WeakPolarHBondContact O-CB 3.49Å; A93-I97 VanDerWaalsContact O-CG1 3.25Å; A93-I97 WeakPolarHBondContact O-CG1 3.41Å; A93-I97 PolarHBondContact O-N 3.19Å
94L96.2Very high93.3Very high31 Ų3163 Ų6316%0.16230%0.3CS..Hα-helixtrans-58.4-46.7178.4-177.360.1000111.3I79 E80 M83 C90 P91 R96 I97 K98I79-L94 HydrophobicContact CG2-CD1 3.9Å; E80-L94 HydrophobicContact CG-CD1 4.24Å; E80-L94 HydrophobicContact CG-CD2 4.44Å; M83-L94 HydrophobicContact CE-CB 4.34Å; M83-L94 HydrophobicContact SD-CB 4.2Å; M83-L94 HydrophobicContact SD-CD1 3.98Å; M83-L94 HydrophobicContact SD-CG 4.47Å; C90-L94 PolarHBondContact O-N 3.22Å; P91-L94 PolarHBondContact O-N 3.39Å; L94-R96 PolarHBondContact O-N 3.04Å; L94-I97 PolarHBondContact O-N 3.38Å; L94-K98 HydrophobicContact CD1-CD 4.44Å; L94-K98 HydrophobicContact CD1-CG 4.37Å; L94-K98 HydrophobicContact CG-CD 4.34Å; L94-K98 WeakPolarHBondContact O-CB 3.47Å; L94-K98 WeakPolarHBondContact O-CG 3.49Å; L94-K98 PolarHBondContact O-N 3.37Å
95E92.2Very high92.3Very high100 Ų10058.4 Ų58.447%0.46729%0.287SS..Hα-helixtrans-59-46.3175.9-71.6-62120.900111.9P91 A93 I97 K98 E99P91-E95 WeakPolarHBondContact O-CG 3.5Å; P91-E95 PolarHBondContact O-N 3.43Å; A93-E95 VanDerWaalsContact C-N 3.34Å; A93-E95 PolarHBondContact O-N 3.12Å; E95-I97 PolarHBondContact O-N 3.4Å; E95-K98 PolarHBondContact O-N 3.46Å; E95-E99 PolarHBondContact O-N 3.08Å
96R93Very high90.7Very high17 Ų1759.8 Ų59.86%0.06429%0.294CS..Hα-helixtrans-65.2-37.9177.4-69.6-49.290-156.30.3113.3I36 Q40 A92 A93 L94 E99 G100I36-R96 HydrophobicContact CG2-CB 4.31Å; Q40-R96 HydrophobicContact CG-CG 3.75Å; A92-R96 WeakPolarHBondContact O-CG 3.19Å; A92-R96 PolarHBondContact O-N 2.99Å; A92-R96 VanDerWaalsContact O-N 3.14Å; A93-R96 PolarHBondContact O-N 3.43Å; L94-R96 PolarHBondContact O-N 3.04Å; R96-E99 IonicContact CZ-OE1 3.31Å; R96-E99 IonicContact CZ-OE2 2.74Å; R96-E99 VanDerWaalsContact CZ-OE2 3.31Å; R96-E99 VanDerWaalsContact NH1-CD 3.28Å; R96-E99 IonicContact NH1-OE1 2.64Å; R96-E99 IonicContact NH1-OE2 3.3Å; R96-E99 PolarHBondContact NH1-OE2 3.23Å; R96-E99 IonicContact NH2-OE1 3.57Å; R96-E99 PolarHBondContact NH2-OE1 2.78Å; R96-E99 IonicContact NH2-OE2 3.31Å; R96-E99 PolarHBondContact NH2-OE2 2.96Å; R96-G100 PolarHBondContact O-N 3.42Å
97I94.1Very high88.7Confident15 Ų1558.8 Ų58.88%0.07729%0.293CS..Hα-helixtrans-64.4-44.9177.5-78.1165.7000110.1I33 I36 L61 Y64 I79 A93 L94 E95 G100I33-I97 HydrophobicContact CG1-CD1 4.25Å; I36-I97 HydrophobicContact CD1-CD1 4.27Å; I36-I97 HydrophobicContact CD1-CG1 4.2Å; L61-I97 HydrophobicContact CD2-CG1 4.23Å; Y64-I97 HydrophobicContact CD1-CD1 4.5Å; Y64-I97 HydrophobicContact CD1-CG1 4.01Å; Y64-I97 HydrophobicContact CD1-CG2 4.13Å; Y64-I97 HydrophobicContact CD2-CD1 3.77Å; Y64-I97 HydrophobicContact CD2-CG1 4.18Å; Y64-I97 HydrophobicContact CE1-CB 4.28Å; Y64-I97 HydrophobicContact CE1-CG1 4.1Å; Y64-I97 HydrophobicContact CE1-CG2 3.37Å; Y64-I97 HydrophobicContact CE2-CD1 3.76Å; Y64-I97 HydrophobicContact CE2-CG1 4.24Å; Y64-I97 HydrophobicContact CE2-CG2 4.08Å; Y64-I97 HydrophobicContact CG-CD1 4.15Å; Y64-I97 HydrophobicContact CG-CG1 4.07Å; Y64-I97 WeakPolarHBondContact OH-CG2 3.28Å; I79-I97 HydrophobicContact CG2-CG2 4.27Å; A93-I97 VanDerWaalsContact O-CB 3.32Å; A93-I97 WeakPolarHBondContact O-CB 3.49Å; A93-I97 VanDerWaalsContact O-CG1 3.25Å; A93-I97 WeakPolarHBondContact O-CG1 3.41Å; A93-I97 PolarHBondContact O-N 3.19Å; L94-I97 PolarHBondContact O-N 3.38Å; E95-I97 PolarHBondContact O-N 3.4Å; I97-G100 PolarHBondContact O-N 3.45Å
98K90.2Very high86.7Confident90 Ų9055.4 Ų55.439%0.39128%0.284SS..Hα-helixtrans-63.7-43.3177.3-75.6-175.7176.1-166.20112.5E80 L94 E95 G100E80-K98 WeakPolarHBondContact OE1-CE 3.36Å; E80-K98 IonicContact OE1-NZ 2.7Å; E80-K98 PolarHBondContact OE1-NZ 3.42Å; L94-K98 HydrophobicContact CD1-CD 4.44Å; L94-K98 HydrophobicContact CD1-CG 4.37Å; L94-K98 HydrophobicContact CG-CD 4.34Å; L94-K98 WeakPolarHBondContact O-CB 3.47Å; L94-K98 WeakPolarHBondContact O-CG 3.49Å; L94-K98 PolarHBondContact O-N 3.37Å; E95-K98 PolarHBondContact O-N 3.46Å; K98-G100 VanDerWaalsContact C-N 3.29Å
99E86.5Confident85Confident91 Ų9162.8 Ų62.843%0.42532%0.316SS..Hα-helixtrans-70.8-26.2175.4-74.9-171.2-152.400112.9E95 R96 R101E95-E99 PolarHBondContact O-N 3.08Å; R96-E99 IonicContact CZ-OE1 3.31Å; R96-E99 IonicContact CZ-OE2 2.74Å; R96-E99 VanDerWaalsContact CZ-OE2 3.31Å; R96-E99 VanDerWaalsContact NH1-CD 3.28Å; R96-E99 IonicContact NH1-OE1 2.64Å; R96-E99 IonicContact NH1-OE2 3.3Å; R96-E99 PolarHBondContact NH1-OE2 3.23Å; R96-E99 IonicContact NH2-OE1 3.57Å; R96-E99 PolarHBondContact NH2-OE1 2.78Å; R96-E99 IonicContact NH2-OE2 3.31Å; R96-E99 PolarHBondContact NH2-OE2 2.96Å; E99-R101 HydrophobicContact CB-CG 4.42Å; E99-R101 PolarHBondContact O-N 2.99Å
100G88.5Confident83.4Confident16 Ų1664.4 Ų64.417%0.16532%0.319CS..THydrogen-bonded Turntrans70.611.1179.600000114.6R96 I97 K98R96-G100 PolarHBondContact O-N 3.42Å; I97-G100 PolarHBondContact O-N 3.45Å; K98-G100 VanDerWaalsContact C-N 3.29Å
101R86.5Confident82.2Confident47 Ų4768.9 Ų68.918%0.17734%0.343CS..SBendtrans-147155.7-17967.9-178.6-170.1169.32.1114E99 D107 S155E99-R101 HydrophobicContact CB-CG 4.42Å; E99-R101 PolarHBondContact O-N 2.99Å; R101-D107 IonicContact CZ-OD1 3.65Å; R101-D107 IonicContact NH1-OD1 2.81Å; R101-D107 PolarHBondContact NH1-OD1 3.31Å; R101-D107 IonicContact NH2-OD1 3.57Å; R101-D107 IonicContact NH2-OD2 3.7Å; R101-S155 PolarHBondContact NH1-OG 3.27Å; R101-S155 PolarHBondContact NH2-OG 2.83Å
102P90.7Very high81.5Confident2 Ų266.5 Ų66.51%0.01333%0.326CS..  trans-61.2147.9172.9-18.831000112.7Y53 T54 C57 S58 T104 I105Y53-P102 HydrophobicContact CD1-CB 4.41Å; Y53-P102 HydrophobicContact CE1-CB 3.68Å; T54-P102 HydrophobicContact CG2-CB 4.37Å; T54-P102 HydrophobicContact CG2-CG 4.16Å; C57-P102 HydrophobicContact CB-CB 3.85Å; C57-P102 HydrophobicContact CB-CG 3.82Å; S58-P102 VanDerWaalsContact OG-CG 3.28Å; S58-P102 WeakPolarHBondContact OG-CG 3.2Å; P102-T104 PolarHBondContact O-N 3.46Å; P102-I105 HydrophobicContact CB-CG1 4.25Å; P102-I105 HydrophobicContact CG-CD1 4.06Å; P102-I105 HydrophobicContact CG-CG1 4.19Å; P102-I105 PolarHBondContact O-N 3.41Å; P102-I105 VanDerWaalsContact O-N 3.1Å
103I88Confident80.9Confident73 Ų7370.3 Ų70.337%0.37434%0.343SS..THydrogen-bonded Turntrans-64.8-23-179.5-158175.1000113.6Y43 Y53 I105Y43-I103 HydrophobicContact CD1-CG2 3.83Å; Y43-I103 HydrophobicContact CE1-CG2 3.48Å; Y43-I103 VanDerWaalsContact CE1-CG2 3.48Å; Y53-I103 HydrophobicContact CE1-CG2 3.74Å; Y53-I103 VanDerWaalsContact OH-CG2 3.27Å; Y53-I103 WeakPolarHBondContact OH-CG2 3.38Å; Y53-I103 PolarHBondContact OH-N 3.22Å; Y53-I103 VanDerWaalsContact OH-N 3.16Å; I103-I105 VanDerWaalsContact C-N 3.34Å
104T84.7Confident80.4Confident30 Ų3076.4 Ų76.418%0.18437%0.369CS..THydrogen-bonded Turntrans-74.8-24.9177.544.90000112.8Y43 S50 Y53 T54 P102 K106Y43-T104 HydrophobicContact CE1-CG2 4.05Å; Y43-T104 HydrophobicContact CE2-CG2 3.92Å; Y43-T104 VanDerWaalsContact CZ-CG2 3.47Å; Y43-T104 VanDerWaalsContact OH-CG2 3.25Å; Y43-T104 WeakPolarHBondContact OH-CG2 3.39Å; S50-T104 WeakPolarHBondContact OG-CG2 3.26Å; Y53-T104 HydrophobicContact CD1-CG2 3.46Å; Y53-T104 VanDerWaalsContact CD1-CG2 3.46Å; Y53-T104 WeakPolarHBondContact CD1-OG1 3.38Å; Y53-T104 HydrophobicContact CE1-CG2 3.75Å; T54-T104 WeakPolarHBondContact OG1-CB 3.31Å; T54-T104 PolarHBondContact OG1-OG1 3.31Å; P102-T104 PolarHBondContact O-N 3.46Å; T104-K106 PolarHBondContact O-N 2.89Å
105I76.6Confident80Confident71 Ų7175.4 Ų75.436%0.36437%0.365SS..  trans-76.476.9169.5-54.6-168.4000106.1T54 P102 I103T54-I105 HydrophobicContact CG2-CD1 4.06Å; T54-I105 HydrophobicContact CG2-CG1 3.9Å; P102-I105 HydrophobicContact CB-CG1 4.25Å; P102-I105 HydrophobicContact CG-CD1 4.06Å; P102-I105 HydrophobicContact CG-CG1 4.19Å; P102-I105 PolarHBondContact O-N 3.41Å; P102-I105 VanDerWaalsContact O-N 3.1Å; I103-I105 VanDerWaalsContact C-N 3.34Å
106K61.8Low80Confident158 Ų15872.4 Ų72.469%0.68735%0.352SS*.  trans-75.6144.3162.4-69.8-176.6-179.5178.80107.3T104 D108T104-K106 PolarHBondContact O-N 2.89Å; K106-D108 PolarHBondContact O-N 2.86Å
107D54.5Low80Confident55 Ų5574.2 Ų74.229%0.29437%0.37SS..  trans-5581.9164.2-920.4000110.8R101 K109 I112 S155R101-D107 IonicContact CZ-OD1 3.65Å; R101-D107 IonicContact NH1-OD1 2.81Å; R101-D107 PolarHBondContact NH1-OD1 3.31Å; R101-D107 IonicContact NH2-OD1 3.57Å; R101-D107 IonicContact NH2-OD2 3.7Å; D107-K109 PolarHBondContact O-N 2.98Å; D107-I112 HydrophobicContact CB-CD1 3.31Å; D107-I112 HydrophobicContact CB-CG1 3.51Å; D107-S155 PolarHBondContact OD1-OG 3.25Å; D107-S155 PolarHBondContact OD2-OG 3.23Å
108D56.4Low80Confident116 Ų11676.4 Ų76.462%0.6238%0.382SS*.  trans-55.9115.2163.6-84-15.2000106K106 Q110 N111 I112K106-D108 PolarHBondContact O-N 2.86Å; D108-Q110 CarbonylContact O-C 3.11Å; D108-Q110 PolarHBondContact O-N 2.91Å; D108-N111 HydrophobicContact CB-CB 4.09Å; D108-N111 WeakPolarHBondContact O-CA 3.46Å; D108-N111 WeakPolarHBondContact O-CB 3.42Å; D108-N111 PolarHBondContact O-N 2.84Å; D108-I112 PolarHBondContact O-N 3.32Å
109K60.8Low80.2Confident172 Ų17272.1 Ų72.175%0.74836%0.363SS*.Hα-helixtrans-47.6-36-174.6-71.5-175.5175.7-176.20112.4D107 N113D107-K109 PolarHBondContact O-N 2.98Å; K109-N113 WeakPolarHBondContact O-CB 3.38Å; K109-N113 PolarHBondContact O-N 2.94Å; K109-N113 PolarHBondContact O-ND2 3.3Å; K109-N113 PolarHBondContact O-OD1 2.85Å
110Q63.3Low80.7Confident167 Ų16769.5 Ų69.578%0.7835%0.353SS*.Hα-helixtrans-65.5-41.1176.5-169174.46.400113D108 K114D108-Q110 CarbonylContact O-C 3.11Å; D108-Q110 PolarHBondContact O-N 2.91Å; Q110-K114 WeakPolarHBondContact O-CB 3.35Å; Q110-K114 PolarHBondContact O-N 3.07Å
111N73.4Confident81.1Confident97 Ų9771.9 Ų71.952%0.51937%0.367SS..Hα-helixtrans-73.8-35178.9-157.911.1000111.8D108 S115D108-N111 HydrophobicContact CB-CB 4.09Å; D108-N111 WeakPolarHBondContact O-CA 3.46Å; D108-N111 WeakPolarHBondContact O-CB 3.42Å; D108-N111 PolarHBondContact O-N 2.84Å; N111-S115 VanDerWaalsContact O-CB 3.28Å; N111-S115 WeakPolarHBondContact O-CB 3.28Å; N111-S115 PolarHBondContact O-N 3.25Å; N111-S115 PolarHBondContact O-OG 3.12Å
112I80.3Confident81.6Confident23 Ų2370.7 Ų70.712%0.11836%0.364CS..Hα-helixtrans-62.8-52.3171.1-49.3166.9000109.9D107 D108 K114 S115 I116 L154 I156D107-I112 HydrophobicContact CB-CD1 3.31Å; D107-I112 HydrophobicContact CB-CG1 3.51Å; D108-I112 PolarHBondContact O-N 3.32Å; I112-K114 PolarHBondContact O-N 3.44Å; I112-S115 CarbonylContact O-C 3.54Å; I112-S115 PolarHBondContact O-N 2.86Å; I112-I116 HydrophobicContact CG2-CD1 3.7Å; I112-I116 HydrophobicContact CG2-CG1 4.04Å; I112-I116 WeakPolarHBondContact O-CG1 3.39Å; I112-I116 PolarHBondContact O-N 3.36Å; I112-L154 HydrophobicContact CG2-CD2 4.13Å; I112-I156 HydrophobicContact CG2-CD1 4.08Å; I112-I156 HydrophobicContact CG2-CG2 4.16Å
113N85.1Confident82Confident106 Ų10670.6 Ų70.657%0.56736%0.364SS*.Hα-helixtrans-59.3-40.7-176.6-71.6-13.2000111.1K109 A117K109-N113 WeakPolarHBondContact O-CB 3.38Å; K109-N113 PolarHBondContact O-N 2.94Å; K109-N113 PolarHBondContact O-ND2 3.3Å; K109-N113 PolarHBondContact O-OD1 2.85Å; N113-A117 WeakPolarHBondContact O-CB 3.49Å; N113-A117 PolarHBondContact O-N 2.8Å
114K86.6Confident82.4Confident128 Ų12870.3 Ų70.356%0.55736%0.363SS*.Hα-helixtrans-61.1-50.6172.2-175.3-177.2174.2-172.70111.3Q110 I112 I116 A117 D118Q110-K114 WeakPolarHBondContact O-CB 3.35Å; Q110-K114 PolarHBondContact O-N 3.07Å; I112-K114 PolarHBondContact O-N 3.44Å; K114-I116 VanDerWaalsContact C-N 3.3Å; K114-I116 PolarHBondContact O-N 3.31Å; K114-A117 WeakPolarHBondContact O-CB 3.39Å; K114-A117 PolarHBondContact O-N 3.34Å; K114-A117 VanDerWaalsContact O-N 3.11Å; K114-D118 WeakPolarHBondContact CE-OD2 3.41Å; K114-D118 WeakPolarHBondContact O-CB 3.43Å; K114-D118 VanDerWaalsContact O-CG 3.23Å; K114-D118 PolarHBondContact O-N 2.75Å
115S88Confident83.1Confident10 Ų1071.5 Ų71.57%0.0737%0.37CS..Hα-helixtrans-63.4-34.3-179.6-60.60000112.8N111 I112 T119 T150N111-S115 VanDerWaalsContact O-CB 3.28Å; N111-S115 WeakPolarHBondContact O-CB 3.28Å; N111-S115 PolarHBondContact O-N 3.25Å; N111-S115 PolarHBondContact O-OG 3.12Å; I112-S115 CarbonylContact O-C 3.54Å; I112-S115 PolarHBondContact O-N 2.86Å; S115-T119 VanDerWaalsContact O-CB 3.28Å; S115-T119 WeakPolarHBondContact O-CB 3.39Å; S115-T119 PolarHBondContact O-N 3.02Å; S115-T119 PolarHBondContact O-OG1 3.48Å; S115-T150 WeakPolarHBondContact O-CG2 3.4Å
116I91.5Very high84.1Confident37 Ų3768.1 Ų68.119%0.1935%0.353CS..Hα-helixtrans-63.1-50.9171.6-70169.8000109.5I112 K114 D118 T119 V120 L154 I156 F202 L206I112-I116 HydrophobicContact CG2-CD1 3.7Å; I112-I116 HydrophobicContact CG2-CG1 4.04Å; I112-I116 WeakPolarHBondContact O-CG1 3.39Å; I112-I116 PolarHBondContact O-N 3.36Å; K114-I116 VanDerWaalsContact C-N 3.3Å; K114-I116 PolarHBondContact O-N 3.31Å; I116-D118 VanDerWaalsContact C-N 3.35Å; I116-D118 PolarHBondContact O-N 3.08Å; I116-T119 WeakPolarHBondContact O-CB 3.49Å; I116-T119 PolarHBondContact O-N 3.35Å; I116-V120 HydrophobicContact CG2-CG2 4.45Å; I116-V120 WeakPolarHBondContact O-CG2 3.41Å; I116-V120 PolarHBondContact O-N 2.88Å; I116-L154 HydrophobicContact CG1-CD2 4.12Å; I116-I156 HydrophobicContact CD1-CD1 3.71Å; I116-I156 HydrophobicContact CG1-CD1 3.8Å; I116-F202 HydrophobicContact CG1-CZ 4.44Å; I116-F202 HydrophobicContact CG2-CE1 4.39Å; I116-F202 HydrophobicContact CG2-CZ 4.34Å; I116-L206 HydrophobicContact CD1-CD2 3.89Å; I116-L206 HydrophobicContact CG1-CD2 4.05Å; I116-L206 HydrophobicContact CG2-CD1 3.71Å; I116-L206 HydrophobicContact CG2-CD2 4.5Å
117A92.8Very high85.8Confident55 Ų5561 Ų6146%0.45532%0.322SS..Hα-helixtrans-60.6-44.6179.900000111.7N113 K114 T119 V120 S121N113-A117 WeakPolarHBondContact O-CB 3.49Å; N113-A117 PolarHBondContact O-N 2.8Å; K114-A117 WeakPolarHBondContact O-CB 3.39Å; K114-A117 PolarHBondContact O-N 3.34Å; K114-A117 VanDerWaalsContact O-N 3.11Å; A117-T119 PolarHBondContact O-N 2.96Å; A117-V120 PolarHBondContact O-N 3.1Å; A117-S121 VanDerWaalsContact O-CB 3.31Å; A117-S121 WeakPolarHBondContact O-CB 3.28Å; A117-S121 PolarHBondContact O-N 2.95Å
118D93.8Very high87.9Confident61 Ų6161.6 Ų61.633%0.32633%0.325SS..Hα-helixtrans-61.3-44.2176.3-66.8-16.3000110.4K114 I116 S121 L122 T150K114-D118 WeakPolarHBondContact CE-OD2 3.41Å; K114-D118 WeakPolarHBondContact O-CB 3.43Å; K114-D118 VanDerWaalsContact O-CG 3.23Å; K114-D118 PolarHBondContact O-N 2.75Å; I116-D118 VanDerWaalsContact C-N 3.35Å; I116-D118 PolarHBondContact O-N 3.08Å; D118-S121 PolarHBondContact O-N 2.7Å; D118-L122 WeakPolarHBondContact O-CB 3.36Å; D118-L122 WeakPolarHBondContact O-CD1 3.4Å; D118-L122 WeakPolarHBondContact O-CG 3.46Å; D118-L122 PolarHBondContact O-N 3.13Å; D118-T150 HydrophobicContact CB-CG2 4.27Å
119T94.9Very high89.9Confident0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-60.6-48.2176.8-610000112S115 I116 A117 S121 L122 F123 L147 T150 L151 L154 F202S115-T119 VanDerWaalsContact O-CB 3.28Å; S115-T119 WeakPolarHBondContact O-CB 3.39Å; S115-T119 PolarHBondContact O-N 3.02Å; S115-T119 PolarHBondContact O-OG1 3.48Å; I116-T119 WeakPolarHBondContact O-CB 3.49Å; I116-T119 PolarHBondContact O-N 3.35Å; A117-T119 PolarHBondContact O-N 2.96Å; T119-S121 VanDerWaalsContact C-N 3.34Å; T119-S121 PolarHBondContact O-N 3.42Å; T119-L122 PolarHBondContact O-N 3.21Å; T119-F123 HydrophobicContact CG2-CD2 3.76Å; T119-F123 HydrophobicContact CG2-CE2 3.68Å; T119-F123 VanDerWaalsContact O-CD2 3.3Å; T119-F123 WeakPolarHBondContact O-CD2 3.32Å; T119-F123 PolarHBondContact O-N 3.42Å; T119-L147 HydrophobicContact CG2-CD1 4.02Å; T119-T150 WeakPolarHBondContact OG1-CG2 3.34Å; T119-L151 HydrophobicContact CG2-CD2 3.66Å; T119-L151 HydrophobicContact CG2-CG 4.29Å; T119-L154 HydrophobicContact CG2-CD1 4.41Å; T119-L154 VanDerWaalsContact OG1-CD1 3.27Å; T119-L154 WeakPolarHBondContact OG1-CD1 3.33Å; T119-F202 HydrophobicContact CG2-CD1 4.16Å; T119-F202 HydrophobicContact CG2-CD2 4.14Å; T119-F202 HydrophobicContact CG2-CE1 3.78Å; T119-F202 HydrophobicContact CG2-CE2 3.81Å; T119-F202 HydrophobicContact CG2-CG 4.32Å; T119-F202 HydrophobicContact CG2-CZ 3.61Å
120V96.3Very high91.6Very high35 Ų3550.5 Ų50.521%0.21227%0.271CS..Hα-helixtrans-59.9-46.7177.1170.80000110.3I116 A117 L122 F123 I124 Y199 F202I116-V120 HydrophobicContact CG2-CG2 4.45Å; I116-V120 WeakPolarHBondContact O-CG2 3.41Å; I116-V120 PolarHBondContact O-N 2.88Å; A117-V120 PolarHBondContact O-N 3.1Å; V120-L122 PolarHBondContact O-N 3.43Å; V120-F123 PolarHBondContact O-N 3.24Å; V120-I124 HydrophobicContact CG1-CD1 3.8Å; V120-I124 WeakPolarHBondContact O-CG1 2.98Å; V120-I124 PolarHBondContact O-N 3.22Å; V120-I124 VanDerWaalsContact O-N 3.1Å; V120-Y199 HydrophobicContact CB-CE2 4.41Å; V120-Y199 HydrophobicContact CG1-CE2 4.09Å; V120-Y199 HydrophobicContact CG2-CE2 4.23Å; V120-F202 HydrophobicContact CG2-CD1 4.5Å; V120-F202 HydrophobicContact CG2-CE1 3.91Å
121S97.2Very high93.3Very high66 Ų6649.7 Ų49.746%0.46226%0.261SS..Hα-helixtrans-60.1-44.3178.9-172.30000112A117 D118 T119 I124 T125A117-S121 VanDerWaalsContact O-CB 3.31Å; A117-S121 WeakPolarHBondContact O-CB 3.28Å; A117-S121 PolarHBondContact O-N 2.95Å; D118-S121 PolarHBondContact O-N 2.7Å; T119-S121 VanDerWaalsContact C-N 3.34Å; T119-S121 PolarHBondContact O-N 3.42Å; S121-I124 PolarHBondContact O-N 3.06Å; S121-T125 VanDerWaalsContact O-CB 3.29Å; S121-T125 WeakPolarHBondContact O-CB 3.4Å; S121-T125 PolarHBondContact O-N 3.28Å; S121-T125 PolarHBondContact O-OG1 3.08Å
122L97.8Very high94.4Very high22 Ų2251.3 Ų51.312%0.11527%0.269CS..Hα-helixtrans-66.2-45.2179.6-73.5160.7000112D118 T119 V120 I124 T125 I126 D143 E146 L147D118-L122 WeakPolarHBondContact O-CB 3.36Å; D118-L122 WeakPolarHBondContact O-CD1 3.4Å; D118-L122 WeakPolarHBondContact O-CG 3.46Å; D118-L122 PolarHBondContact O-N 3.13Å; T119-L122 PolarHBondContact O-N 3.21Å; V120-L122 PolarHBondContact O-N 3.43Å; L122-I124 VanDerWaalsContact C-N 3.32Å; L122-I124 PolarHBondContact O-N 3.37Å; L122-T125 PolarHBondContact O-N 3.28Å; L122-I126 WeakPolarHBondContact O-CD1 3.22Å; L122-I126 VanDerWaalsContact O-CG1 3.22Å; L122-I126 WeakPolarHBondContact O-CG1 3.33Å; L122-I126 PolarHBondContact O-N 3.49Å; L122-D143 HydrophobicContact CD2-CB 4.41Å; L122-E146 HydrophobicContact CD1-CB 4.26Å; L122-E146 HydrophobicContact CD1-CG 3.75Å; L122-E146 HydrophobicContact CD2-CB 4.12Å; L122-E146 HydrophobicContact CD2-CG 4.1Å; L122-L147 HydrophobicContact CB-CB 4.1Å; L122-L147 HydrophobicContact CB-CD1 3.99Å; L122-L147 HydrophobicContact CD1-CB 4.44Å
123F97.8Very high95.2Very high0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-54.7-49.6174.1-90.9-64.7000111.5T119 V120 M127 L147 L151 L195 Y199 F202T119-F123 HydrophobicContact CG2-CD2 3.76Å; T119-F123 HydrophobicContact CG2-CE2 3.68Å; T119-F123 VanDerWaalsContact O-CD2 3.3Å; T119-F123 WeakPolarHBondContact O-CD2 3.32Å; T119-F123 PolarHBondContact O-N 3.42Å; V120-F123 PolarHBondContact O-N 3.24Å; F123-M127 HydrophobicContact CB-CE 4.26Å; F123-M127 WeakPolarHBondContact O-CB 3.37Å; F123-M127 WeakPolarHBondContact O-CE 3.4Å; F123-M127 VanDerWaalsContact O-CG 3.28Å; F123-M127 WeakPolarHBondContact O-CG 3.14Å; F123-M127 PolarHBondContact O-N 3.27Å; F123-L147 HydrophobicContact CD1-CD1 4.48Å; F123-L147 HydrophobicContact CD1-CD2 3.81Å; F123-L147 HydrophobicContact CD2-CD1 3.76Å; F123-L147 HydrophobicContact CE1-CD1 4.48Å; F123-L147 HydrophobicContact CE1-CD2 3.75Å; F123-L147 HydrophobicContact CE2-CD1 3.77Å; F123-L147 HydrophobicContact CG-CD1 4.13Å; F123-L147 HydrophobicContact CG-CD2 4.21Å; F123-L147 HydrophobicContact CZ-CD1 4.13Å; F123-L147 HydrophobicContact CZ-CD2 4.11Å; F123-L151 HydrophobicContact CE2-CD1 4.48Å; F123-L151 HydrophobicContact CE2-CD2 4.18Å; F123-L151 HydrophobicContact CZ-CD1 4.19Å; F123-L195 HydrophobicContact CD1-CD2 4.18Å; F123-L195 HydrophobicContact CE1-CD2 4.06Å; F123-Y199 HydrophobicContact CB-CD2 3.68Å; F123-Y199 HydrophobicContact CB-CE2 4.35Å; F123-Y199 HydrophobicContact CB-CG 4.26Å; F123-Y199 AromaticContact CD2-CD2 3.77Å; F123-Y199 HydrophobicContact CD2-CD2 3.77Å; F123-Y199 AromaticContact CG-CD2 3.79Å; F123-Y199 HydrophobicContact CG-CD2 3.79Å; F123-Y199 HydrophobicContact CG-CG 4.29Å; F123-F202 HydrophobicContact CE2-CB 4.33Å; F123-F202 HydrophobicContact CE2-CG 4.43Å
124I97.5Very high95.8Very high68 Ų6851.9 Ų51.935%0.34927%0.272SS..Hα-helixtrans-63.8-47.8-179.7-66168.5000110.4V120 S121 L122 I126 M127 D128V120-I124 HydrophobicContact CG1-CD1 3.8Å; V120-I124 WeakPolarHBondContact O-CG1 2.98Å; V120-I124 PolarHBondContact O-N 3.22Å; V120-I124 VanDerWaalsContact O-N 3.1Å; S121-I124 PolarHBondContact O-N 3.06Å; L122-I124 VanDerWaalsContact C-N 3.32Å; L122-I124 PolarHBondContact O-N 3.37Å; I124-I126 PolarHBondContact O-N 2.92Å; I124-M127 PolarHBondContact O-N 3.48Å; I124-D128 WeakPolarHBondContact CG2-OD2 3.28Å; I124-D128 WeakPolarHBondContact O-CB 3.34Å; I124-D128 VanDerWaalsContact O-CG 3.31Å; I124-D128 PolarHBondContact O-N 3.23Å
125T98Very high96.2Very high55 Ų5548.3 Ų48.334%0.33726%0.255SS..Hα-helixtrans-58.3-47.7-178.3-59.80000111.5S121 L122 D128 K129S121-T125 VanDerWaalsContact O-CB 3.29Å; S121-T125 WeakPolarHBondContact O-CB 3.4Å; S121-T125 PolarHBondContact O-N 3.28Å; S121-T125 PolarHBondContact O-OG1 3.08Å; L122-T125 PolarHBondContact O-N 3.28Å; T125-D128 PolarHBondContact O-N 3.38Å; T125-K129 WeakPolarHBondContact O-CG 3.35Å; T125-K129 PolarHBondContact O-N 2.92Å
126I98Very high96.7Very high0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-65.7-45.7179.7-61.2159.2000110.4L122 I124 D128 K129 L130 I140 D143 L144 L147 M191 L195L122-I126 WeakPolarHBondContact O-CD1 3.22Å; L122-I126 VanDerWaalsContact O-CG1 3.22Å; L122-I126 WeakPolarHBondContact O-CG1 3.33Å; L122-I126 PolarHBondContact O-N 3.49Å; I124-I126 PolarHBondContact O-N 2.92Å; I126-D128 VanDerWaalsContact C-N 3.29Å; I126-D128 PolarHBondContact O-N 3.35Å; I126-K129 PolarHBondContact O-N 2.89Å; I126-L130 HydrophobicContact CG2-CD1 4.2Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.31Å; I126-L130 PolarHBondContact O-N 3.35Å; I126-I140 HydrophobicContact CG2-CG2 4.21Å; I126-D143 HydrophobicContact CD1-CB 4.05Å; I126-D143 HydrophobicContact CG1-CB 3.58Å; I126-L144 HydrophobicContact CD1-CB 4.41Å; I126-L144 HydrophobicContact CD1-CD1 4.14Å; I126-L147 HydrophobicContact CD1-CB 3.97Å; I126-L147 HydrophobicContact CD1-CD2 3.73Å; I126-L147 HydrophobicContact CD1-CG 4.47Å; I126-M191 HydrophobicContact CG2-CE 4.02Å; I126-L195 HydrophobicContact CB-CD1 4.26Å; I126-L195 HydrophobicContact CG2-CD1 3.5Å; I126-L195 VanDerWaalsContact CG2-CD1 3.5Å
127M98.1Very high96.9Very high7 Ų747 Ų473%0.03425%0.249CC..Hα-helixtrans-61.3-38.5177.5-73.8-171.4-69.300112.1F123 I124 L130 R131 L192 L195 D196 Y199F123-M127 HydrophobicContact CB-CE 4.26Å; F123-M127 WeakPolarHBondContact O-CB 3.37Å; F123-M127 WeakPolarHBondContact O-CE 3.4Å; F123-M127 VanDerWaalsContact O-CG 3.28Å; F123-M127 WeakPolarHBondContact O-CG 3.14Å; F123-M127 PolarHBondContact O-N 3.27Å; I124-M127 PolarHBondContact O-N 3.48Å; M127-L130 PolarHBondContact O-N 3.47Å; M127-R131 WeakPolarHBondContact O-CB 3.49Å; M127-R131 VanDerWaalsContact O-CG 3.24Å; M127-R131 WeakPolarHBondContact O-CG 3.39Å; M127-R131 PolarHBondContact O-N 3.13Å; M127-L192 HydrophobicContact CB-CD2 4.02Å; M127-L192 HydrophobicContact CG-CD2 4.14Å; M127-L192 WeakPolarHBondContact O-CD2 3.36Å; M127-L195 HydrophobicContact CG-CB 3.92Å; M127-L195 HydrophobicContact CG-CD1 4.17Å; M127-L195 HydrophobicContact SD-CB 4.28Å; M127-D196 HydrophobicContact SD-CB 4.23Å; M127-Y199 HydrophobicContact CE-CD1 4.39Å; M127-Y199 HydrophobicContact CE-CG 4.38Å
128D98.2Very high97.2Very high69 Ų6948.6 Ų48.637%0.36925%0.251SS..Hα-helixtrans-70.9-40.4178.3-74-11.5000111.7I124 T125 I126 L130 R131 L132I124-D128 WeakPolarHBondContact CG2-OD2 3.28Å; I124-D128 WeakPolarHBondContact O-CB 3.34Å; I124-D128 VanDerWaalsContact O-CG 3.31Å; I124-D128 PolarHBondContact O-N 3.23Å; T125-D128 PolarHBondContact O-N 3.38Å; I126-D128 VanDerWaalsContact C-N 3.29Å; I126-D128 PolarHBondContact O-N 3.35Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 2.82Å; D128-R131 PolarHBondContact O-N 3.05Å; D128-R131 IonicContact OD1-NH1 3.98Å; D128-R131 PolarHBondContact OD1-NH1 3.35Å; D128-L132 WeakPolarHBondContact O-CB 3.27Å; D128-L132 VanDerWaalsContact O-CG 3.27Å; D128-L132 WeakPolarHBondContact O-CG 3.5Å; D128-L132 PolarHBondContact O-N 3.21Å
129K98Very high97.4Very high51 Ų5150.2 Ų50.222%0.22226%0.256CS..Hα-helixtrans-54.3-50.3170.8-76.2-175.6170.5-177.40111.3T125 I126 R131 L132 D133 I134 E139 I140 D143T125-K129 WeakPolarHBondContact O-CG 3.35Å; T125-K129 PolarHBondContact O-N 2.92Å; I126-K129 PolarHBondContact O-N 2.89Å; K129-R131 VanDerWaalsContact C-N 3.34Å; K129-R131 PolarHBondContact O-N 3.41Å; K129-L132 CarbonylContact O-C 3.59Å; K129-L132 PolarHBondContact O-N 3.42Å; K129-L132 VanDerWaalsContact O-N 3.14Å; K129-D133 PolarHBondContact O-N 2.86Å; K129-I134 HydrophobicContact CB-CB 4.12Å; K129-I134 HydrophobicContact CB-CD1 4.18Å; K129-I134 HydrophobicContact CB-CG2 4.43Å; K129-I134 HydrophobicContact CG-CD1 4.03Å; K129-I134 VanDerWaalsContact O-CB 3.31Å; K129-I134 WeakPolarHBondContact O-CB 3.35Å; K129-I134 PolarHBondContact O-N 2.97Å; K129-E139 PolarHBondContact NZ-O 3.32Å; K129-I140 HydrophobicContact CB-CD1 3.64Å; K129-I140 HydrophobicContact CD-CD1 4Å; K129-I140 HydrophobicContact CG-CD1 4.46Å; K129-D143 WeakPolarHBondContact CE-OD2 3.35Å; K129-D143 IonicContact NZ-OD2 2.71Å; K129-D143 PolarHBondContact NZ-OD2 3.42Å
130L97.7Very high97.5Very high3 Ų350.2 Ų50.22%0.01626%0.256CS..Hα-helixtrans-61.8-38.8178.4-68.8173.2000112.6I126 M127 D128 L132 D133 I140 L183 V188 M191 L192 L195I126-L130 HydrophobicContact CG2-CD1 4.2Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.31Å; I126-L130 PolarHBondContact O-N 3.35Å; M127-L130 PolarHBondContact O-N 3.47Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 2.82Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-D133 PolarHBondContact O-N 2.69Å; L130-I140 HydrophobicContact CD2-CD1 4.09Å; L130-I140 HydrophobicContact CD2-CG1 4.36Å; L130-I140 HydrophobicContact CG-CD1 4.42Å; L130-L183 HydrophobicContact CD2-CD1 4.29Å; L130-V188 HydrophobicContact CB-CG1 4.14Å; L130-V188 HydrophobicContact CD2-CG1 4.26Å; L130-V188 HydrophobicContact CD2-CG2 4.39Å; L130-M191 HydrophobicContact CD1-CB 4.14Å; L130-M191 HydrophobicContact CD1-CE 4.23Å; L130-M191 HydrophobicContact CD1-CG 3.73Å; L130-M191 HydrophobicContact CD1-SD 3.81Å; L130-M191 HydrophobicContact CD2-SD 4.1Å; L130-L192 HydrophobicContact CB-CD1 4.33Å; L130-L192 HydrophobicContact CB-CD2 3.79Å; L130-L192 HydrophobicContact CB-CG 3.94Å; L130-L192 HydrophobicContact CD1-CD2 4.07Å; L130-L192 HydrophobicContact CD1-CG 4.1Å; L130-L195 HydrophobicContact CD1-CD1 3.85Å
131R97.5Very high97.5Very high150 Ų15049.9 Ų49.957%0.56625%0.252SS*.Hα-helixtrans-70-27.1175.9-74.3166.9180157.80.7113.3M127 D128 K129 D133 L192M127-R131 WeakPolarHBondContact O-CB 3.49Å; M127-R131 VanDerWaalsContact O-CG 3.24Å; M127-R131 WeakPolarHBondContact O-CG 3.39Å; M127-R131 PolarHBondContact O-N 3.13Å; D128-R131 PolarHBondContact O-N 3.05Å; D128-R131 IonicContact OD1-NH1 3.98Å; D128-R131 PolarHBondContact OD1-NH1 3.35Å; K129-R131 VanDerWaalsContact C-N 3.34Å; K129-R131 PolarHBondContact O-N 3.41Å; R131-D133 PolarHBondContact O-N 3.49Å; R131-L192 HydrophobicContact CG-CD1 4.25Å; R131-L192 HydrophobicContact CG-CD2 4.09Å
132L97.7Very high97.6Very high132 Ų13250.1 Ų50.169%0.69125%0.252SS*.THydrogen-bonded Turntrans-84.410.4174.5-70.1173.4000113.1D128 K129 L130 I134D128-L132 WeakPolarHBondContact O-CB 3.27Å; D128-L132 VanDerWaalsContact O-CG 3.27Å; D128-L132 WeakPolarHBondContact O-CG 3.5Å; D128-L132 PolarHBondContact O-N 3.21Å; K129-L132 CarbonylContact O-C 3.59Å; K129-L132 PolarHBondContact O-N 3.42Å; K129-L132 VanDerWaalsContact O-N 3.14Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L132-I134 VanDerWaalsContact C-N 3.26Å; L132-I134 HydrophobicContact CB-CG1 4.48Å; L132-I134 PolarHBondContact O-N 3.15Å
133D96.1Very high97.6Very high98 Ų9850.7 Ų50.752%0.52426%0.255SS..THydrogen-bonded Turntrans66.723.9179.5-14139.6000114.7K129 L130 R131 R135K129-D133 PolarHBondContact O-N 2.86Å; L130-D133 PolarHBondContact O-N 2.69Å; R131-D133 PolarHBondContact O-N 3.49Å; D133-R135 PolarHBondContact O-N 3.24Å; D133-R135 IonicContact OD1-CZ 3.78Å; D133-R135 IonicContact OD1-NE 3.73Å; D133-R135 PolarHBondContact OD1-NE 2.91Å; D133-R135 IonicContact OD1-NH2 3.48Å; D133-R135 PolarHBondContact OD1-NH2 3.47Å; D133-R135 IonicContact OD2-CZ 2.6Å; D133-R135 IonicContact OD2-NE 2.62Å; D133-R135 IonicContact OD2-NH2 3.02Å; D133-R135 PolarHBondContact OD2-NH2 2.82Å
134I97.2Very high97.5Very high43 Ų4350.7 Ų50.722%0.22126%0.255CS..  trans-79.4115.1170-60.4176.5000107.8K129 L132 E139 I140K129-I134 HydrophobicContact CB-CB 4.12Å; K129-I134 HydrophobicContact CB-CD1 4.18Å; K129-I134 HydrophobicContact CB-CG2 4.43Å; K129-I134 HydrophobicContact CG-CD1 4.03Å; K129-I134 VanDerWaalsContact O-CB 3.31Å; K129-I134 WeakPolarHBondContact O-CB 3.35Å; K129-I134 PolarHBondContact O-N 2.97Å; L132-I134 VanDerWaalsContact C-N 3.26Å; L132-I134 HydrophobicContact CB-CG1 4.48Å; L132-I134 PolarHBondContact O-N 3.15Å; I134-E139 HydrophobicContact CG2-CB 3.49Å; I134-E139 VanDerWaalsContact CG2-CB 3.49Å; I134-E139 HydrophobicContact CG2-CG 4.21Å; I134-E139 WeakPolarHBondContact CG2-OE2 3.46Å; I134-I140 HydrophobicContact CB-CD1 4.38Å; I134-I140 HydrophobicContact CG2-CD1 3.91Å; I134-I140 HydrophobicContact CG2-CG1 4.48Å
135R96.4Very high97.5Very high52 Ų5252.6 Ų52.620%0.19626%0.258CS..  trans-126.4-15.5-168.9-61.8177.4-177.8-168.45.7114.2D133 E182 L183 V188D133-R135 PolarHBondContact O-N 3.24Å; D133-R135 IonicContact OD1-CZ 3.78Å; D133-R135 IonicContact OD1-NE 3.73Å; D133-R135 PolarHBondContact OD1-NE 2.91Å; D133-R135 IonicContact OD1-NH2 3.48Å; D133-R135 PolarHBondContact OD1-NH2 3.47Å; D133-R135 IonicContact OD2-CZ 2.6Å; D133-R135 IonicContact OD2-NE 2.62Å; D133-R135 IonicContact OD2-NH2 3.02Å; D133-R135 PolarHBondContact OD2-NH2 2.82Å; R135-E182 HydrophobicContact CB-CB 4.04Å; R135-E182 HydrophobicContact CB-CG 4.26Å; R135-E182 WeakPolarHBondContact O-CA 3.5Å; R135-L183 WeakPolarHBondContact CD-O 3.31Å; R135-L183 PolarHBondContact O-N 3.22Å; R135-V188 HydrophobicContact CG-CG2 3.89Å
136A97.5Very high97.4Very high11 Ų1153.8 Ų53.89%0.09126%0.26CS..BIsolated β-bridgetrans-65.2137.6-179.300000110.5D138 E139 I140 D181 E182A136-D138 VanDerWaalsContact C-N 3.32Å; A136-D138 WeakPolarHBondContact CB-OD1 3.36Å; A136-D138 PolarHBondContact O-N 2.91Å; A136-E139 HydrophobicContact CB-CB 4.47Å; A136-E139 HydrophobicContact CB-CG 4.14Å; A136-E139 PolarHBondContact O-N 3.18Å; A136-E139 VanDerWaalsContact O-N 3.15Å; A136-I140 PolarHBondContact O-N 2.85Å; A136-D181 WeakPolarHBondContact CA-O 3.5Å; A136-E182 HydrophobicContact CB-CG 4.48Å
137V97.2Very high97.4Very high8 Ų853.8 Ų53.85%0.04826%0.26CS..Hα-helixtrans-60-42.7-175.3166.40000111.3E139 I140 H141 M174 M177 A179 D181V137-E139 PolarHBondContact O-N 2.78Å; V137-I140 PolarHBondContact O-N 3.1Å; V137-H141 HydrophobicContact CG1-CB 4.14Å; V137-H141 WeakPolarHBondContact O-CB 3.49Å; V137-H141 PolarHBondContact O-N 3.44Å; V137-M174 HydrophobicContact CG1-CB 4.1Å; V137-M174 HydrophobicContact CG1-CG 4.45Å; V137-M174 HydrophobicContact CG2-CG 4.42Å; V137-M177 HydrophobicContact CG2-CB 3.83Å; V137-M177 HydrophobicContact CG2-CE 3.7Å; V137-M177 HydrophobicContact CG2-CG 4.45Å; V137-M177 HydrophobicContact CG2-SD 3.85Å; V137-A179 PolarHBondContact N-O 3.26Å; V137-D181 HydrophobicContact CG2-CB 4.43Å; V137-D181 VanDerWaalsContact CG2-O 3.3Å; V137-D181 WeakPolarHBondContact CG2-O 3.37Å; V137-D181 PolarHBondContact N-O 3.46Å
138D97.6Very high97.2Very high90 Ų9056.3 Ų56.348%0.48127%0.269SS..Hα-helixtrans-64.8-24178.863.5-14.4000114.3A136 P142 A179A136-D138 VanDerWaalsContact C-N 3.32Å; A136-D138 WeakPolarHBondContact CB-OD1 3.36Å; A136-D138 PolarHBondContact O-N 2.91Å; D138-P142 WeakPolarHBondContact O-CD 3.07Å; D138-P142 VanDerWaalsContact O-CG 3.3Å; D138-P142 WeakPolarHBondContact O-CG 2.81Å; D138-A179 HydrophobicContact CB-CB 3.99Å; D138-A179 PolarHBondContact N-O 2.66Å; D138-A179 VanDerWaalsContact N-O 3.1Å
139E97.6Very high96.8Very high95 Ų9557.1 Ų57.144%0.44427%0.271SS..Hα-helixtrans-83.6-25.7176.7-63-170.298.600113.4K129 I134 A136 V137K129-E139 PolarHBondContact NZ-O 3.32Å; I134-E139 HydrophobicContact CG2-CB 3.49Å; I134-E139 VanDerWaalsContact CG2-CB 3.49Å; I134-E139 HydrophobicContact CG2-CG 4.21Å; I134-E139 WeakPolarHBondContact CG2-OE2 3.46Å; A136-E139 HydrophobicContact CB-CB 4.47Å; A136-E139 HydrophobicContact CB-CG 4.14Å; A136-E139 PolarHBondContact O-N 3.18Å; A136-E139 VanDerWaalsContact O-N 3.15Å; V137-E139 PolarHBondContact O-N 2.78Å
140I97.6Very high96.5Very high0 Ų054.7 Ų54.70%026%0.26CS..Hα-helixtrans-102.3-41.6-176.4-57.2-61.6000112.4I126 K129 L130 I134 A136 V137 D143 L144 M174 M191I126-I140 HydrophobicContact CG2-CG2 4.21Å; K129-I140 HydrophobicContact CB-CD1 3.64Å; K129-I140 HydrophobicContact CD-CD1 4Å; K129-I140 HydrophobicContact CG-CD1 4.46Å; L130-I140 HydrophobicContact CD2-CD1 4.09Å; L130-I140 HydrophobicContact CD2-CG1 4.36Å; L130-I140 HydrophobicContact CG-CD1 4.42Å; I134-I140 HydrophobicContact CB-CD1 4.38Å; I134-I140 HydrophobicContact CG2-CD1 3.91Å; I134-I140 HydrophobicContact CG2-CG1 4.48Å; A136-I140 PolarHBondContact O-N 2.85Å; V137-I140 PolarHBondContact O-N 3.1Å; I140-D143 PolarHBondContact O-N 2.99Å; I140-L144 PolarHBondContact O-N 3.24Å; I140-L144 VanDerWaalsContact O-N 3.15Å; I140-M174 HydrophobicContact CB-CE 4.11Å; I140-M174 HydrophobicContact CG2-CE 3.66Å; I140-M174 HydrophobicContact CG2-SD 4.41Å; I140-M191 HydrophobicContact CG2-CE 3.71Å; I140-M191 HydrophobicContact CG2-SD 4.43Å
141H97.6Very high96.2Very high27 Ų2754.5 Ų54.513%0.12526%0.26CS..Hα-helixtrans-59.5-41.8-171.2177.9-89.9000114.7V137 D143 L144 R145 M174 D175V137-H141 HydrophobicContact CG1-CB 4.14Å; V137-H141 WeakPolarHBondContact O-CB 3.49Å; V137-H141 PolarHBondContact O-N 3.44Å; H141-D143 PolarHBondContact O-N 3.19Å; H141-L144 PolarHBondContact O-N 3.12Å; H141-R145 PolarHBondContact CE1-NH2 3.47Å; H141-R145 PolarHBondContact NE2-NH2 3.24Å; H141-R145 WeakPolarHBondContact O-CB 3.21Å; H141-R145 PolarHBondContact O-N 3Å; H141-M174 HydrophobicContact CB-SD 4.07Å; H141-D175 IonicContact CD2-OD1 3.74Å; H141-D175 IonicContact CE1-OD1 2.8Å; H141-D175 IonicContact NE2-OD1 3.75Å; H141-D175 PolarHBondContact NE2-OD1 3.38Å
142P97.4Very high95.6Very high71 Ų7152 Ų5246%0.46125%0.251SS..Hα-helixtrans-59.1-44.9179.5-26.136.2000113.2D138 R145 E146D138-P142 WeakPolarHBondContact O-CD 3.07Å; D138-P142 VanDerWaalsContact O-CG 3.3Å; D138-P142 WeakPolarHBondContact O-CG 2.81Å; P142-R145 PolarHBondContact O-N 3.3Å; P142-E146 PolarHBondContact O-N 2.7Å
143D97.7Very high94.8Very high35 Ų3551.2 Ų51.219%0.18724%0.239CC..Hα-helixtrans-69.4-38.7179.4-67.5-15.6000111.1L122 I126 K129 I140 H141 R145 E146 L147L122-D143 HydrophobicContact CD2-CB 4.41Å; I126-D143 HydrophobicContact CD1-CB 4.05Å; I126-D143 HydrophobicContact CG1-CB 3.58Å; K129-D143 WeakPolarHBondContact CE-OD2 3.35Å; K129-D143 IonicContact NZ-OD2 2.71Å; K129-D143 PolarHBondContact NZ-OD2 3.42Å; I140-D143 PolarHBondContact O-N 2.99Å; H141-D143 PolarHBondContact O-N 3.19Å; D143-R145 VanDerWaalsContact C-N 3.29Å; D143-R145 PolarHBondContact O-N 2.9Å; D143-E146 PolarHBondContact O-N 2.86Å; D143-L147 WeakPolarHBondContact O-CB 3.44Å; D143-L147 PolarHBondContact O-N 2.79Å
144L97.3Very high94.2Very high0 Ų046.8 Ų46.80%022%0.215CC..Hα-helixtrans-63.6-37.1176.8-167.570.7000111.6I126 I140 H141 L147 Y148 V167 W170 L171 M174 M191 L195I126-L144 HydrophobicContact CD1-CB 4.41Å; I126-L144 HydrophobicContact CD1-CD1 4.14Å; I140-L144 PolarHBondContact O-N 3.24Å; I140-L144 VanDerWaalsContact O-N 3.15Å; H141-L144 PolarHBondContact O-N 3.12Å; L144-L147 HydrophobicContact CD1-CD2 4.48Å; L144-L147 PolarHBondContact O-N 2.95Å; L144-Y148 PolarHBondContact O-N 3.14Å; L144-V167 HydrophobicContact CD1-CG1 3.78Å; L144-V167 HydrophobicContact CG-CG1 3.97Å; L144-W170 HydrophobicContact CD2-CB 3.66Å; L144-L171 HydrophobicContact CB-CD2 4.1Å; L144-L171 HydrophobicContact CD2-CD2 3.88Å; L144-L171 HydrophobicContact CD2-CG 3.82Å; L144-L171 HydrophobicContact CG-CD2 4Å; L144-L171 HydrophobicContact CG-CG 3.97Å; L144-M174 HydrophobicContact CD2-CE 4.39Å; L144-M174 HydrophobicContact CD2-SD 3.86Å; L144-M191 HydrophobicContact CD1-CE 3.74Å; L144-M191 HydrophobicContact CD2-CE 3.8Å; L144-M191 HydrophobicContact CG-CE 4.32Å; L144-L195 HydrophobicContact CD1-CD2 4.18Å
145R96.7Very high93.3Very high107 Ų10746.6 Ų46.640%0.40422%0.218SC..Hα-helixtrans-66.8-46.3174.8180169.9-73.8173.4-4.5111H141 P142 D143 L147 Y148 E149 L171 D175H141-R145 PolarHBondContact CE1-NH2 3.47Å; H141-R145 PolarHBondContact NE2-NH2 3.24Å; H141-R145 WeakPolarHBondContact O-CB 3.21Å; H141-R145 PolarHBondContact O-N 3Å; P142-R145 PolarHBondContact O-N 3.3Å; D143-R145 VanDerWaalsContact C-N 3.29Å; D143-R145 PolarHBondContact O-N 2.9Å; R145-L147 VanDerWaalsContact C-N 3.29Å; R145-L147 PolarHBondContact O-N 2.9Å; R145-Y148 WeakPolarHBondContact O-CB 3.44Å; R145-Y148 PolarHBondContact O-N 3.41Å; R145-E149 WeakPolarHBondContact O-CG 3.34Å; R145-E149 PolarHBondContact O-N 3.12Å; R145-L171 HydrophobicContact CB-CD2 4.04Å; R145-D175 IonicContact NH2-OD1 3.77Å; R145-D175 PolarHBondContact NH2-OD1 2.97Å; R145-D175 IonicContact NH2-OD2 2.81Å
146E96.1Very high92.7Very high80 Ų8047 Ų4737%0.37422%0.223SC..Hα-helixtrans-62.2-38.4175.7-173.561-134.800111.6L122 P142 D143 E149 T150 R153L122-E146 HydrophobicContact CD1-CB 4.26Å; L122-E146 HydrophobicContact CD1-CG 3.75Å; L122-E146 HydrophobicContact CD2-CB 4.12Å; L122-E146 HydrophobicContact CD2-CG 4.1Å; P142-E146 PolarHBondContact O-N 2.7Å; D143-E146 PolarHBondContact O-N 2.86Å; E146-E149 PolarHBondContact O-N 3.09Å; E146-T150 WeakPolarHBondContact O-CB 3.46Å; E146-T150 PolarHBondContact O-N 3.01Å; E146-T150 PolarHBondContact O-OG1 3.23Å; E146-T150 PolarHBondContact OE1-OG1 3.31Å; E146-R153 IonicContact OE1-CZ 2.74Å; E146-R153 IonicContact OE1-NH1 3.46Å; E146-R153 IonicContact OE1-NH2 2.66Å; E146-R153 PolarHBondContact OE1-NH2 3.46Å
147L97.1Very high92.1Very high0 Ų046.9 Ų46.90%022%0.22CC..Hα-helixtrans-59.7-49.4173.917661.3000110.9T119 L122 F123 I126 D143 L144 R145 E149 T150 L151 V167 L195T119-L147 HydrophobicContact CG2-CD1 4.02Å; L122-L147 HydrophobicContact CB-CB 4.1Å; L122-L147 HydrophobicContact CB-CD1 3.99Å; L122-L147 HydrophobicContact CD1-CB 4.44Å; F123-L147 HydrophobicContact CD1-CD1 4.48Å; F123-L147 HydrophobicContact CD1-CD2 3.81Å; F123-L147 HydrophobicContact CD2-CD1 3.76Å; F123-L147 HydrophobicContact CE1-CD1 4.48Å; F123-L147 HydrophobicContact CE1-CD2 3.75Å; F123-L147 HydrophobicContact CE2-CD1 3.77Å; F123-L147 HydrophobicContact CG-CD1 4.13Å; F123-L147 HydrophobicContact CG-CD2 4.21Å; F123-L147 HydrophobicContact CZ-CD1 4.13Å; F123-L147 HydrophobicContact CZ-CD2 4.11Å; I126-L147 HydrophobicContact CD1-CB 3.97Å; I126-L147 HydrophobicContact CD1-CD2 3.73Å; I126-L147 HydrophobicContact CD1-CG 4.47Å; D143-L147 WeakPolarHBondContact O-CB 3.44Å; D143-L147 PolarHBondContact O-N 2.79Å; L144-L147 HydrophobicContact CD1-CD2 4.48Å; L144-L147 PolarHBondContact O-N 2.95Å; R145-L147 VanDerWaalsContact C-N 3.29Å; R145-L147 PolarHBondContact O-N 2.9Å; L147-E149 PolarHBondContact O-N 3.45Å; L147-T150 PolarHBondContact O-N 3.34Å; L147-L151 HydrophobicContact CD1-CD1 4.02Å; L147-L151 HydrophobicContact CD1-CG 4.06Å; L147-L151 HydrophobicContact CG-CD1 3.98Å; L147-L151 HydrophobicContact CG-CG 4.44Å; L147-L151 WeakPolarHBondContact O-CB 2.98Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.47Å; L147-L151 PolarHBondContact O-N 3.49Å; L147-V167 HydrophobicContact CD2-CG1 4.42Å; L147-V167 HydrophobicContact CD2-CG2 3.79Å; L147-V167 HydrophobicContact CG-CG1 4.49Å; L147-V167 HydrophobicContact CG-CG2 4.31Å; L147-L195 HydrophobicContact CD2-CD2 4.11Å
148Y94.9Very high91.5Very high60 Ų6049.3 Ų49.324%0.23524%0.237CC..Hα-helixtrans-58.8-46.5178.6-179-107.8000112.1L144 R145 L151 Y152 V167 K168 L171L144-Y148 PolarHBondContact O-N 3.14Å; R145-Y148 WeakPolarHBondContact O-CB 3.44Å; R145-Y148 PolarHBondContact O-N 3.41Å; Y148-L151 PolarHBondContact O-N 2.74Å; Y148-Y152 WeakPolarHBondContact O-CB 3.41Å; Y148-Y152 PolarHBondContact O-N 3.03Å; Y148-V167 HydrophobicContact CD2-CB 4.49Å; Y148-V167 HydrophobicContact CD2-CG1 4.2Å; Y148-V167 HydrophobicContact CG-CG1 4.41Å; Y148-K168 HydrophobicContact CD2-CB 4.18Å; Y148-K168 HydrophobicContact CE1-CD 4.25Å; Y148-K168 HydrophobicContact CE2-CB 3.71Å; Y148-K168 HydrophobicContact CE2-CD 3.98Å; Y148-K168 HydrophobicContact CE2-CG 4.18Å; Y148-L171 HydrophobicContact CD1-CD1 4.12Å; Y148-L171 HydrophobicContact CD2-CD1 4.41Å; Y148-L171 HydrophobicContact CG-CD1 3.76Å
149E90.7Very high90.6Very high86 Ų8649.3 Ų49.340%0.40224%0.243SC..Hα-helixtrans-64.8-41.8178.4-69.1-174.5-173.100112R145 E146 L147 Y152 R153R145-E149 WeakPolarHBondContact O-CG 3.34Å; R145-E149 PolarHBondContact O-N 3.12Å; E146-E149 PolarHBondContact O-N 3.09Å; L147-E149 PolarHBondContact O-N 3.45Å; E149-Y152 PolarHBondContact O-N 3.06Å; E149-R153 WeakPolarHBondContact O-CG 3.41Å; E149-R153 PolarHBondContact O-N 2.98Å; E149-R153 IonicContact OE2-NH1 3.95Å
150T90.4Very high89.8Confident0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-64.3-44.4177.4-53.10000111.6S115 D118 T119 E146 L147 Y152 R153 L154S115-T150 WeakPolarHBondContact O-CG2 3.4Å; D118-T150 HydrophobicContact CB-CG2 4.27Å; T119-T150 WeakPolarHBondContact OG1-CG2 3.34Å; E146-T150 WeakPolarHBondContact O-CB 3.46Å; E146-T150 PolarHBondContact O-N 3.01Å; E146-T150 PolarHBondContact O-OG1 3.23Å; E146-T150 PolarHBondContact OE1-OG1 3.31Å; L147-T150 PolarHBondContact O-N 3.34Å; T150-Y152 VanDerWaalsContact C-N 3.26Å; T150-Y152 PolarHBondContact O-N 2.86Å; T150-R153 PolarHBondContact O-N 3.38Å; T150-R153 VanDerWaalsContact O-N 3.13Å; T150-R153 PolarHBondContact OG1-NH2 2.9Å; T150-L154 PolarHBondContact O-N 2.96Å; T150-L154 VanDerWaalsContact O-N 3.15Å
151L91.8Very high89.5Confident0 Ų051.2 Ų51.20%026%0.256CS..Hα-helixtrans-58.8-38.8173.5-74.2171.7000111.7T119 F123 L147 Y148 R153 L154 L157 F161 K164 V167 F202T119-L151 HydrophobicContact CG2-CD2 3.66Å; T119-L151 HydrophobicContact CG2-CG 4.29Å; F123-L151 HydrophobicContact CE2-CD1 4.48Å; F123-L151 HydrophobicContact CE2-CD2 4.18Å; F123-L151 HydrophobicContact CZ-CD1 4.19Å; L147-L151 HydrophobicContact CD1-CD1 4.02Å; L147-L151 HydrophobicContact CD1-CG 4.06Å; L147-L151 HydrophobicContact CG-CD1 3.98Å; L147-L151 HydrophobicContact CG-CG 4.44Å; L147-L151 WeakPolarHBondContact O-CB 2.98Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.47Å; L147-L151 PolarHBondContact O-N 3.49Å; Y148-L151 PolarHBondContact O-N 2.74Å; L151-R153 VanDerWaalsContact C-N 3.32Å; L151-L154 PolarHBondContact O-N 3.28Å; L151-L157 HydrophobicContact CB-CD1 4.43Å; L151-L157 HydrophobicContact CD2-CD1 3.57Å; L151-F161 HydrophobicContact CD2-CE1 4.07Å; L151-K164 HydrophobicContact CB-CG 4.02Å; L151-K164 WeakPolarHBondContact O-CE 3.32Å; L151-V167 HydrophobicContact CD1-CG2 4.09Å; L151-F202 HydrophobicContact CD2-CD2 4.1Å; L151-F202 HydrophobicContact CD2-CE2 4.36Å
152Y85.1Confident89.1Confident97 Ų9753.3 Ų53.338%0.3827%0.266SS..Hα-helixtrans-69.4-29.6178.4-154.1-86.4000112.8K65 Y148 E149 T150K65-Y152 VanDerWaalsContact CE-OH 3.22Å; K65-Y152 WeakPolarHBondContact CE-OH 3.24Å; K65-Y152 PolarHBondContact NZ-OH 2.91Å; Y148-Y152 WeakPolarHBondContact O-CB 3.41Å; Y148-Y152 PolarHBondContact O-N 3.03Å; E149-Y152 PolarHBondContact O-N 3.06Å; T150-Y152 VanDerWaalsContact C-N 3.26Å; T150-Y152 PolarHBondContact O-N 2.86Å
153R80Confident88.8Confident116 Ų11650 Ų5044%0.43824%0.244SC..Hα-helixtrans-76.1-27.6175.9-69.2-176.9-61.4-109.411113.2E146 E149 T150 L151 S155E146-R153 IonicContact OE1-CZ 2.74Å; E146-R153 IonicContact OE1-NH1 3.46Å; E146-R153 IonicContact OE1-NH2 2.66Å; E146-R153 PolarHBondContact OE1-NH2 3.46Å; E149-R153 WeakPolarHBondContact O-CG 3.41Å; E149-R153 PolarHBondContact O-N 2.98Å; E149-R153 IonicContact OE2-NH1 3.95Å; T150-R153 PolarHBondContact O-N 3.38Å; T150-R153 VanDerWaalsContact O-N 3.13Å; T150-R153 PolarHBondContact OG1-NH2 2.9Å; L151-R153 VanDerWaalsContact C-N 3.32Å; R153-S155 PolarHBondContact O-N 3.38Å
154L84.6Confident88.5Confident4 Ų449.2 Ų49.22%0.02124%0.239CC..  trans-75.4106.9179.1-76.7177.4000111.7I112 I116 T119 T150 L151 I156 L157 F202I112-L154 HydrophobicContact CG2-CD2 4.13Å; I116-L154 HydrophobicContact CG1-CD2 4.12Å; T119-L154 HydrophobicContact CG2-CD1 4.41Å; T119-L154 VanDerWaalsContact OG1-CD1 3.27Å; T119-L154 WeakPolarHBondContact OG1-CD1 3.33Å; T150-L154 PolarHBondContact O-N 2.96Å; T150-L154 VanDerWaalsContact O-N 3.15Å; L151-L154 PolarHBondContact O-N 3.28Å; L154-I156 HydrophobicContact CB-CG1 4.34Å; L154-I156 HydrophobicContact CD2-CD1 4.24Å; L154-I156 HydrophobicContact CD2-CG1 4.37Å; L154-L157 HydrophobicContact CB-CD1 3.92Å; L154-L157 HydrophobicContact CB-CG 4.01Å; L154-L157 HydrophobicContact CD1-CD1 4.31Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 2.87Å; L154-F202 HydrophobicContact CD1-CE2 3.54Å; L154-F202 HydrophobicContact CD1-CZ 3.75Å
155S77.8Confident88.2Confident40 Ų4054.4 Ų54.428%0.2827%0.267SS..THydrogen-bonded Turntrans-87.3-9.917845.90000116.1R101 D107 R153 L157R101-S155 PolarHBondContact NH1-OG 3.27Å; R101-S155 PolarHBondContact NH2-OG 2.83Å; D107-S155 PolarHBondContact OD1-OG 3.25Å; D107-S155 PolarHBondContact OD2-OG 3.23Å; R153-S155 PolarHBondContact O-N 3.38Å; S155-L157 PolarHBondContact O-N 3.29Å
156I83.1Confident88.1Confident60 Ų6052.5 Ų52.531%0.30826%0.26SS..THydrogen-bonded Turntrans-61.7-19.3163.462.3179.4000110.9I112 I116 L154 L206I112-I156 HydrophobicContact CG2-CD1 4.08Å; I112-I156 HydrophobicContact CG2-CG2 4.16Å; I116-I156 HydrophobicContact CD1-CD1 3.71Å; I116-I156 HydrophobicContact CG1-CD1 3.8Å; L154-I156 HydrophobicContact CB-CG1 4.34Å; L154-I156 HydrophobicContact CD2-CD1 4.24Å; L154-I156 HydrophobicContact CD2-CG1 4.37Å; I156-L206 HydrophobicContact CD1-CD2 3.3Å; I156-L206 HydrophobicContact CG1-CD2 4.44Å
157L85.6Confident88.1Confident8 Ų848.8 Ų48.84%0.04224%0.243CC..SBendtrans-85.7133.1174.3-57.3-179.9000110.1L151 L154 S155 F161 F202 T205L151-L157 HydrophobicContact CB-CD1 4.43Å; L151-L157 HydrophobicContact CD2-CD1 3.57Å; L154-L157 HydrophobicContact CB-CD1 3.92Å; L154-L157 HydrophobicContact CB-CG 4.01Å; L154-L157 HydrophobicContact CD1-CD1 4.31Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 2.87Å; S155-L157 PolarHBondContact O-N 3.29Å; L157-F161 HydrophobicContact CB-CB 4.17Å; L157-F161 HydrophobicContact CB-CG 4.25Å; L157-F161 HydrophobicContact CD1-CD1 3.88Å; L157-F161 HydrophobicContact CD1-CE1 4.11Å; L157-F161 HydrophobicContact CD1-CG 4.36Å; L157-F161 HydrophobicContact CD2-CD1 4.47Å; L157-F161 HydrophobicContact CD2-CD2 4.23Å; L157-F161 HydrophobicContact CD2-CE2 4.3Å; L157-F161 HydrophobicContact CD2-CG 4.33Å; L157-F161 HydrophobicContact CD2-CZ 4.46Å; L157-F202 HydrophobicContact CD1-CD2 3.97Å; L157-F202 HydrophobicContact CD1-CE2 3.96Å; L157-F202 HydrophobicContact CD2-CD2 3.61Å; L157-F202 HydrophobicContact CD2-CE2 3.79Å; L157-F202 HydrophobicContact CG-CD2 4.33Å; L157-F202 HydrophobicContact CG-CE2 4.22Å; L157-T205 HydrophobicContact CD2-CG2 3.85Å
158P84.9Confident88Confident60 Ų6051.9 Ų51.939%0.3926%0.256SS..  trans-50.8153.7167.2-26.234.7000112.4D160 F161 K164P158-D160 WeakPolarHBondContact CB-OD1 3.5Å; P158-D160 PolarHBondContact O-N 3.11Å; P158-F161 VanDerWaalsContact O-CB 3.28Å; P158-F161 WeakPolarHBondContact O-CB 3.34Å; P158-F161 PolarHBondContact O-N 3.35Å; P158-K164 PolarHBondContact O-NZ 3.05Å
159S77.8Confident88.1Confident89 Ų8951.8 Ų51.862%0.62227%0.268SS*.THydrogen-bonded Turntrans-64.5-29.5176.951.50000111.9
160D82.1Confident88.4Confident125 Ų12548.4 Ų48.467%0.66825%0.251SS*.THydrogen-bonded Turntrans-96.521.8176.764.9-24000113.3P158 E162P158-D160 WeakPolarHBondContact CB-OD1 3.5Å; P158-D160 PolarHBondContact O-N 3.11Å; D160-E162 PolarHBondContact O-N 3Å
161F90.2Very high88.7Confident10 Ų1048.7 Ų48.74%0.04425%0.253CS..  trans-59.9113.7178.9176.1-108.5000111.6L151 L157 P158 G163 K164 A201 F202L151-F161 HydrophobicContact CD2-CE1 4.07Å; L157-F161 HydrophobicContact CB-CB 4.17Å; L157-F161 HydrophobicContact CB-CG 4.25Å; L157-F161 HydrophobicContact CD1-CD1 3.88Å; L157-F161 HydrophobicContact CD1-CE1 4.11Å; L157-F161 HydrophobicContact CD1-CG 4.36Å; L157-F161 HydrophobicContact CD2-CD1 4.47Å; L157-F161 HydrophobicContact CD2-CD2 4.23Å; L157-F161 HydrophobicContact CD2-CE2 4.3Å; L157-F161 HydrophobicContact CD2-CG 4.33Å; L157-F161 HydrophobicContact CD2-CZ 4.46Å; P158-F161 VanDerWaalsContact O-CB 3.28Å; P158-F161 WeakPolarHBondContact O-CB 3.34Å; P158-F161 PolarHBondContact O-N 3.35Å; F161-G163 PolarHBondContact O-N 3.29Å; F161-K164 HydrophobicContact CB-CD 4.32Å; F161-K164 HydrophobicContact CD1-CG 4.17Å; F161-K164 WeakPolarHBondContact O-CB 3.24Å; F161-K164 PolarHBondContact O-N 2.75Å; F161-A201 HydrophobicContact CE2-CB 3.8Å; F161-A201 HydrophobicContact CZ-CB 4.04Å; F161-F202 HydrophobicContact CZ-CB 3.8Å; F161-F202 HydrophobicContact CZ-CD2 4.38Å
162E90.4Very high89Confident72 Ų7252.3 Ų52.334%0.33627%0.272SS..Hα-helixtrans-51.9-30-173.263.9170.5169.700114.7D160 K164 D165 R166 A201 R204D160-E162 PolarHBondContact O-N 3Å; E162-K164 VanDerWaalsContact C-N 3.29Å; E162-K164 PolarHBondContact O-N 3.03Å; E162-D165 PolarHBondContact O-N 2.89Å; E162-R166 PolarHBondContact O-N 3.16Å; E162-R166 IonicContact OE1-NH1 3.57Å; E162-R166 IonicContact OE2-CZ 2.56Å; E162-R166 VanDerWaalsContact OE2-CZ 3.3Å; E162-R166 IonicContact OE2-NH1 2.76Å; E162-R166 PolarHBondContact OE2-NH1 2.98Å; E162-R166 IonicContact OE2-NH2 3.21Å; E162-R166 PolarHBondContact OE2-NH2 2.84Å; E162-A201 HydrophobicContact CG-CB 4.03Å; E162-A201 WeakPolarHBondContact OE1-CB 3.25Å; E162-R204 IonicContact OE1-NH2 3.79Å
163G90.7Very high89.6Confident0 Ų051.3 Ų51.30%027%0.27CS..Hα-helixtrans-65.7-30.6179.100000113.1F161 V167F161-G163 PolarHBondContact O-N 3.29Å; G163-V167 WeakPolarHBondContact O-CB 3.46Å; G163-V167 VanDerWaalsContact O-CG2 3.25Å; G163-V167 WeakPolarHBondContact O-CG2 3.49Å; G163-V167 PolarHBondContact O-N 3.37Å; G163-V167 VanDerWaalsContact O-N 3.11Å
164K91.8Very high90.4Very high19 Ų1945.9 Ų45.98%0.08325%0.25CC..Hα-helixtrans-64.6-46.2176.1-75.3165.8-176.1171.60110.7L151 P158 F161 E162 V167 K168L151-K164 HydrophobicContact CB-CG 4.02Å; L151-K164 WeakPolarHBondContact O-CE 3.32Å; P158-K164 PolarHBondContact O-NZ 3.05Å; F161-K164 HydrophobicContact CB-CD 4.32Å; F161-K164 HydrophobicContact CD1-CG 4.17Å; F161-K164 WeakPolarHBondContact O-CB 3.24Å; F161-K164 PolarHBondContact O-N 2.75Å; E162-K164 VanDerWaalsContact C-N 3.29Å; E162-K164 PolarHBondContact O-N 3.03Å; K164-V167 PolarHBondContact O-N 3.42Å; K164-K168 VanDerWaalsContact O-CB 3.26Å; K164-K168 WeakPolarHBondContact O-CB 3.43Å; K164-K168 PolarHBondContact O-N 3.12Å
165D91.4Very high90.9Very high109 Ų10949.4 Ų49.458%0.58327%0.268SS*.Hα-helixtrans-66.3-41.1-178-64.7-26.6000111.7E162 K168 A169E162-D165 PolarHBondContact O-N 2.89Å; D165-K168 PolarHBondContact O-N 3.4Å; D165-A169 PolarHBondContact O-N 3.44Å
166R94Very high91.8Very high67 Ų6755.2 Ų55.225%0.25329%0.291SS..Hα-helixtrans-61.5-50.8175.5-71.7-174.1-179.3131.211.9112.1E162 K168 A169 W170 D194E162-R166 PolarHBondContact O-N 3.16Å; E162-R166 IonicContact OE1-NH1 3.57Å; E162-R166 IonicContact OE2-CZ 2.56Å; E162-R166 VanDerWaalsContact OE2-CZ 3.3Å; E162-R166 IonicContact OE2-NH1 2.76Å; E162-R166 PolarHBondContact OE2-NH1 2.98Å; E162-R166 IonicContact OE2-NH2 3.21Å; E162-R166 PolarHBondContact OE2-NH2 2.84Å; R166-K168 VanDerWaalsContact C-N 3.26Å; R166-K168 PolarHBondContact O-N 2.91Å; R166-A169 PolarHBondContact O-N 3.42Å; R166-W170 VanDerWaalsContact O-CD1 3.25Å; R166-W170 PolarHBondContact O-N 2.91Å; R166-D194 HydrophobicContact CB-CB 4.5Å; R166-D194 WeakPolarHBondContact CD-O 3.28Å
167V96.3Very high92.5Very high3 Ų354.3 Ų54.32%0.01829%0.286CS..Hα-helixtrans-60.5-40.5178.2173.60000110.4L144 L147 Y148 L151 G163 K164 W170 L171 L195L144-V167 HydrophobicContact CD1-CG1 3.78Å; L144-V167 HydrophobicContact CG-CG1 3.97Å; L147-V167 HydrophobicContact CD2-CG1 4.42Å; L147-V167 HydrophobicContact CD2-CG2 3.79Å; L147-V167 HydrophobicContact CG-CG1 4.49Å; L147-V167 HydrophobicContact CG-CG2 4.31Å; Y148-V167 HydrophobicContact CD2-CB 4.49Å; Y148-V167 HydrophobicContact CD2-CG1 4.2Å; Y148-V167 HydrophobicContact CG-CG1 4.41Å; L151-V167 HydrophobicContact CD1-CG2 4.09Å; G163-V167 WeakPolarHBondContact O-CB 3.46Å; G163-V167 VanDerWaalsContact O-CG2 3.25Å; G163-V167 WeakPolarHBondContact O-CG2 3.49Å; G163-V167 PolarHBondContact O-N 3.37Å; G163-V167 VanDerWaalsContact O-N 3.11Å; K164-V167 PolarHBondContact O-N 3.42Å; V167-W170 PolarHBondContact O-N 3.42Å; V167-L171 HydrophobicContact CG1-CD1 4.31Å; V167-L171 PolarHBondContact O-N 3.2Å; V167-L195 HydrophobicContact CG2-CD2 4.18Å
168K94.9Very high93Very high65 Ų6560.1 Ų60.128%0.28331%0.313SS..Hα-helixtrans-63.2-41.6177.8-174.355.6168.369.30113Y148 K164 D165 R166 W170 L171 D172Y148-K168 HydrophobicContact CD2-CB 4.18Å; Y148-K168 HydrophobicContact CE1-CD 4.25Å; Y148-K168 HydrophobicContact CE2-CB 3.71Å; Y148-K168 HydrophobicContact CE2-CD 3.98Å; Y148-K168 HydrophobicContact CE2-CG 4.18Å; K164-K168 VanDerWaalsContact O-CB 3.26Å; K164-K168 WeakPolarHBondContact O-CB 3.43Å; K164-K168 PolarHBondContact O-N 3.12Å; D165-K168 PolarHBondContact O-N 3.4Å; R166-K168 VanDerWaalsContact C-N 3.26Å; R166-K168 PolarHBondContact O-N 2.91Å; K168-W170 VanDerWaalsContact C-N 3.28Å; K168-W170 PolarHBondContact O-N 3.29Å; K168-L171 PolarHBondContact O-N 3.2Å; K168-D172 IonicContact NZ-OD1 3.52Å; K168-D172 PolarHBondContact NZ-OD1 2.93Å; K168-D172 IonicContact NZ-OD2 3.78Å; K168-D172 PolarHBondContact NZ-OD2 3.34Å; K168-D172 PolarHBondContact O-N 3.46Å
169A96.4Very high93.5Very high58 Ų5860 Ų6048%0.47932%0.318SS..Hα-helixtrans-60.3-39177.800000112.1D165 R166 K173D165-A169 PolarHBondContact O-N 3.44Å; R166-A169 PolarHBondContact O-N 3.42Å; A169-K173 PolarHBondContact O-N 3.1Å; A169-K173 VanDerWaalsContact O-N 3.15Å
170W97.7Very high94.4Very high14 Ų1460.3 Ų60.35%0.05332%0.32CS..Hα-helixtrans-69.6-40.5174.8-75.1108.2000112.8L144 R166 V167 K168 K173 M174 L183 E187 Q190 M191 D194L144-W170 HydrophobicContact CD2-CB 3.66Å; R166-W170 VanDerWaalsContact O-CD1 3.25Å; R166-W170 PolarHBondContact O-N 2.91Å; V167-W170 PolarHBondContact O-N 3.42Å; K168-W170 VanDerWaalsContact C-N 3.28Å; K168-W170 PolarHBondContact O-N 3.29Å; W170-K173 HydrophobicContact CE3-CD 4.07Å; W170-K173 HydrophobicContact CZ3-CD 3.91Å; W170-K173 PolarHBondContact O-N 3.06Å; W170-M174 WeakPolarHBondContact O-CG 3.36Å; W170-M174 PolarHBondContact O-N 2.79Å; W170-L183 HydrophobicContact CZ3-CD2 4.47Å; W170-E187 HydrophobicContact CH2-CB 4.16Å; W170-E187 VanDerWaalsContact CH2-O 3.29Å; W170-E187 WeakPolarHBondContact CH2-O 3.25Å; W170-E187 HydrophobicContact CZ3-CB 4.2Å; W170-Q190 HydrophobicContact CH2-CB 4.23Å; W170-Q190 HydrophobicContact CH2-CG 4.44Å; W170-Q190 HydrophobicContact CZ2-CB 4.03Å; W170-Q190 HydrophobicContact CZ2-CG 3.91Å; W170-M191 HydrophobicContact CB-CE 4.48Å; W170-M191 HydrophobicContact CD2-CB 4.05Å; W170-M191 HydrophobicContact CD2-CG 3.84Å; W170-M191 HydrophobicContact CD2-SD 4.13Å; W170-M191 HydrophobicContact CE3-CB 4.28Å; W170-M191 HydrophobicContact CE3-CG 4.26Å; W170-M191 HydrophobicContact CE3-SD 4.1Å; W170-M191 HydrophobicContact CG-CG 4.14Å; W170-M191 HydrophobicContact CG-SD 4.43Å; W170-M191 HydrophobicContact CH2-CB 3.83Å; W170-M191 VanDerWaalsContact CZ2-CA 3.4Å; W170-M191 HydrophobicContact CZ2-CB 3.58Å; W170-M191 HydrophobicContact CZ2-CG 4.26Å; W170-M191 VanDerWaalsContact CZ2-N 3.34Å; W170-M191 HydrophobicContact CZ3-CB 4.17Å; W170-D194 PolarHBondContact NE1-OD2 2.74Å
171L97.1Very high95.1Very high7 Ų757.5 Ų57.54%0.03730%0.304CS..Hα-helixtrans-60.5-46172.9-77170.5000112.1L144 R145 Y148 V167 K168 K173 M174 D175L144-L171 HydrophobicContact CB-CD2 4.1Å; L144-L171 HydrophobicContact CD2-CD2 3.88Å; L144-L171 HydrophobicContact CD2-CG 3.82Å; L144-L171 HydrophobicContact CG-CD2 4Å; L144-L171 HydrophobicContact CG-CG 3.97Å; R145-L171 HydrophobicContact CB-CD2 4.04Å; Y148-L171 HydrophobicContact CD1-CD1 4.12Å; Y148-L171 HydrophobicContact CD2-CD1 4.41Å; Y148-L171 HydrophobicContact CG-CD1 3.76Å; V167-L171 HydrophobicContact CG1-CD1 4.31Å; V167-L171 PolarHBondContact O-N 3.2Å; K168-L171 PolarHBondContact O-N 3.2Å; L171-K173 PolarHBondContact O-N 2.98Å; L171-M174 PolarHBondContact O-N 3.39Å; L171-D175 WeakPolarHBondContact O-CB 3.47Å; L171-D175 VanDerWaalsContact O-CG 3.29Å; L171-D175 PolarHBondContact O-N 3.44Å
172D96.9Very high95.5Very high75 Ų7563.1 Ų63.140%0.40133%0.331SS..Hα-helixtrans-60.1-38178.6-78.2-30.1000112.1K168K168-D172 IonicContact NZ-OD1 3.52Å; K168-D172 PolarHBondContact NZ-OD1 2.93Å; K168-D172 IonicContact NZ-OD2 3.78Å; K168-D172 PolarHBondContact NZ-OD2 3.34Å; K168-D172 PolarHBondContact O-N 3.46Å
173K97.1Very high95.8Very high76 Ų7659.8 Ų59.833%0.3332%0.315SS..Hα-helixtrans-65.8-50.2175-179.9173.5-178.2164.50111.9A169 W170 L171 D175 Q176 E187A169-K173 PolarHBondContact O-N 3.1Å; A169-K173 VanDerWaalsContact O-N 3.15Å; W170-K173 HydrophobicContact CE3-CD 4.07Å; W170-K173 HydrophobicContact CZ3-CD 3.91Å; W170-K173 PolarHBondContact O-N 3.06Å; L171-K173 PolarHBondContact O-N 2.98Å; K173-D175 VanDerWaalsContact C-N 3.3Å; K173-D175 PolarHBondContact O-N 3.36Å; K173-Q176 WeakPolarHBondContact O-CB 3.4Å; K173-Q176 PolarHBondContact O-N 3.27Å; K173-Q176 VanDerWaalsContact O-N 3.12Å; K173-E187 WeakPolarHBondContact CE-OE1 3.44Å; K173-E187 VanDerWaalsContact NZ-CD 3.31Å; K173-E187 IonicContact NZ-OE1 3.75Å; K173-E187 PolarHBondContact NZ-OE1 3.32Å
174M97.1Very high96.1Very high2 Ų262.3 Ų62.31%0.0133%0.333CS..Hα-helixtrans-66.1-31.6-179.9-72177175.400112.7V137 I140 H141 L144 W170 L171 Q176 M177 L183 M191V137-M174 HydrophobicContact CG1-CB 4.1Å; V137-M174 HydrophobicContact CG1-CG 4.45Å; V137-M174 HydrophobicContact CG2-CG 4.42Å; I140-M174 HydrophobicContact CB-CE 4.11Å; I140-M174 HydrophobicContact CG2-CE 3.66Å; I140-M174 HydrophobicContact CG2-SD 4.41Å; H141-M174 HydrophobicContact CB-SD 4.07Å; L144-M174 HydrophobicContact CD2-CE 4.39Å; L144-M174 HydrophobicContact CD2-SD 3.86Å; W170-M174 WeakPolarHBondContact O-CG 3.36Å; W170-M174 PolarHBondContact O-N 2.79Å; L171-M174 PolarHBondContact O-N 3.39Å; M174-Q176 PolarHBondContact O-N 3.03Å; M174-Q176 VanDerWaalsContact O-N 3.17Å; M174-M177 WeakPolarHBondContact O-CB 3.35Å; M174-M177 PolarHBondContact O-N 3.44Å; M174-L183 HydrophobicContact CE-CD1 3.68Å; M174-L183 HydrophobicContact CE-CD2 4.23Å; M174-L183 HydrophobicContact CE-CG 4.24Å; M174-M191 HydrophobicContact CE-CE 3.89Å; M174-M191 HydrophobicContact CE-SD 3.85Å
175D96.3Very high96.4Very high78 Ų7866.1 Ų66.142%0.41735%0.351SS..THydrogen-bonded Turntrans-64.6-14.6174.5-77.9-20.2000112.5H141 R145 L171 K173H141-D175 IonicContact CD2-OD1 3.74Å; H141-D175 IonicContact CE1-OD1 2.8Å; H141-D175 IonicContact NE2-OD1 3.75Å; H141-D175 PolarHBondContact NE2-OD1 3.38Å; R145-D175 IonicContact NH2-OD1 3.77Å; R145-D175 PolarHBondContact NH2-OD1 2.97Å; R145-D175 IonicContact NH2-OD2 2.81Å; L171-D175 WeakPolarHBondContact O-CB 3.47Å; L171-D175 VanDerWaalsContact O-CG 3.29Å; L171-D175 PolarHBondContact O-N 3.44Å; K173-D175 VanDerWaalsContact C-N 3.3Å; K173-D175 PolarHBondContact O-N 3.36Å
176Q96.3Very high96.7Very high163 Ų16364.4 Ų64.476%0.76235%0.352SS*.THydrogen-bonded Turntrans-92.7-4.2171.5-56.7-52.3-62.300113.8K173 M174K173-Q176 WeakPolarHBondContact O-CB 3.4Å; K173-Q176 PolarHBondContact O-N 3.27Å; K173-Q176 VanDerWaalsContact O-N 3.12Å; M174-Q176 PolarHBondContact O-N 3.03Å; M174-Q176 VanDerWaalsContact O-N 3.17Å
177M96.6Very high96.8Very high41 Ų4163.6 Ų63.620%0.20235%0.351CS..SBendtrans-103.2157.7-176.8-61.4174.971.300110.6V137 M174 D181 L183V137-M177 HydrophobicContact CG2-CB 3.83Å; V137-M177 HydrophobicContact CG2-CE 3.7Å; V137-M177 HydrophobicContact CG2-CG 4.45Å; V137-M177 HydrophobicContact CG2-SD 3.85Å; M174-M177 WeakPolarHBondContact O-CB 3.35Å; M174-M177 PolarHBondContact O-N 3.44Å; M177-D181 HydrophobicContact CB-CB 4.05Å; M177-D181 HydrophobicContact CE-CB 3.65Å; M177-L183 HydrophobicContact CE-CD2 4.33Å; M177-L183 HydrophobicContact SD-CD2 4.24Å
178Q96.9Very high96.9Very high130 Ų13063.8 Ų63.861%0.60735%0.352SS*.  trans-76.4156.6168-58.7-57.1-68.700110.3S180 D181Q178-S180 PolarHBondContact O-N 3.47Å; Q178-S180 VanDerWaalsContact O-N 3.16Å; Q178-D181 PolarHBondContact N-OD2 2.92Å; Q178-D181 WeakPolarHBondContact O-CB 3.49Å; Q178-D181 PolarHBondContact O-N 3.28Å
179A95.6Very high97Very high58 Ų5868.6 Ų68.648%0.47937%0.369SS..THydrogen-bonded Turntrans-51.3-39.4176.600000113V137 D138V137-A179 PolarHBondContact N-O 3.26Å; D138-A179 HydrophobicContact CB-CB 3.99Å; D138-A179 PolarHBondContact N-O 2.66Å; D138-A179 VanDerWaalsContact N-O 3.1Å
180S96.3Very high97.1Very high95 Ų9570.3 Ų70.366%0.66437%0.367SS*.THydrogen-bonded Turntrans-84.3-6.1-179.457.80000114.9Q178Q178-S180 PolarHBondContact O-N 3.47Å; Q178-S180 VanDerWaalsContact O-N 3.16Å
181D97.6Very high97.1Very high65 Ų6569.6 Ų69.635%0.34836%0.364SS..  trans-71.5148.4178-67-17.6000109.1A136 V137 M177 Q178A136-D181 WeakPolarHBondContact CA-O 3.5Å; V137-D181 HydrophobicContact CG2-CB 4.43Å; V137-D181 VanDerWaalsContact CG2-O 3.3Å; V137-D181 WeakPolarHBondContact CG2-O 3.37Å; V137-D181 PolarHBondContact N-O 3.46Å; M177-D181 HydrophobicContact CB-CB 4.05Å; M177-D181 HydrophobicContact CE-CB 3.65Å; Q178-D181 PolarHBondContact N-OD2 2.92Å; Q178-D181 WeakPolarHBondContact O-CB 3.49Å; Q178-D181 PolarHBondContact O-N 3.28Å
182E97.7Very high97.2Very high129 Ų12971 Ų7160%0.60337%0.371SS*.BIsolated β-bridgetrans-113.1144.7-179.5-69.2-178.6-175.900111.3R135 A136R135-E182 HydrophobicContact CB-CB 4.04Å; R135-E182 HydrophobicContact CB-CG 4.26Å; R135-E182 WeakPolarHBondContact O-CA 3.5Å; A136-E182 HydrophobicContact CB-CG 4.48Å
183L97.3Very high97.2Very high2 Ų273.5 Ų73.51%0.0138%0.379CS..  trans-67135.3165.6-62.6-179.9000110.4L130 R135 W170 M174 M177 E187 V188 M191L130-L183 HydrophobicContact CD2-CD1 4.29Å; R135-L183 WeakPolarHBondContact CD-O 3.31Å; R135-L183 PolarHBondContact O-N 3.22Å; W170-L183 HydrophobicContact CZ3-CD2 4.47Å; M174-L183 HydrophobicContact CE-CD1 3.68Å; M174-L183 HydrophobicContact CE-CD2 4.23Å; M174-L183 HydrophobicContact CE-CG 4.24Å; M177-L183 HydrophobicContact CE-CD2 4.33Å; M177-L183 HydrophobicContact SD-CD2 4.24Å; L183-E187 HydrophobicContact CB-CB 4.18Å; L183-E187 HydrophobicContact CD2-CB 4.37Å; L183-V188 HydrophobicContact CB-CG2 3.88Å; L183-M191 HydrophobicContact CD1-SD 3.73Å
184S97.4Very high97.2Very high52 Ų5271.2 Ų71.236%0.36437%0.37SS..  trans-65.2158.3169.465.90000111.6A186 E187 V188S184-A186 PolarHBondContact O-N 2.75Å; S184-E187 VanDerWaalsContact CB-OE2 3.3Å; S184-E187 WeakPolarHBondContact CB-OE2 3.48Å; S184-E187 PolarHBondContact N-OE2 2.98Å; S184-E187 WeakPolarHBondContact O-CA 3.44Å; S184-E187 WeakPolarHBondContact O-CB 3.4Å; S184-E187 PolarHBondContact O-N 3.14Å; S184-E187 WeakPolarHBondContact OG-CG 3.34Å; S184-E187 PolarHBondContact OG-N 3.31Å; S184-E187 PolarHBondContact OG-OE2 2.55Å; S184-V188 WeakPolarHBondContact O-CG2 3.38Å; S184-V188 PolarHBondContact O-N 2.64Å
185E96.8Very high97.3Very high100 Ų10071.2 Ų71.247%0.46737%0.37SS..Hα-helixtrans-56.6-36.1178.3-169.7-173.716300112.6V188 R189E185-V188 PolarHBondContact O-N 2.69Å; E185-R189 WeakPolarHBondContact O-CG 3.47Å; E185-R189 PolarHBondContact O-N 2.79Å; E185-R189 IonicContact OE1-CZ 3.39Å; E185-R189 IonicContact OE1-NE 3.47Å; E185-R189 PolarHBondContact OE1-NE 3.21Å; E185-R189 IonicContact OE1-NH2 2.68Å; E185-R189 PolarHBondContact OE1-NH2 3.41Å
186A97.5Very high97.3Very high73 Ų7370.5 Ų70.560%0.60337%0.366SS*.Hα-helixtrans-65.1-40.5175.600000111.9S184 R189 Q190S184-A186 PolarHBondContact O-N 2.75Å; A186-R189 PolarHBondContact O-N 2.81Å; A186-Q190 PolarHBondContact O-N 2.88Å
187E97.7Very high97.3Very high49 Ų4963.9 Ų63.923%0.22934%0.338CS..Hα-helixtrans-68.8-41177.2-69.8163.7141.700111.6W170 K173 L183 S184 R189 Q190 M191W170-E187 HydrophobicContact CH2-CB 4.16Å; W170-E187 VanDerWaalsContact CH2-O 3.29Å; W170-E187 WeakPolarHBondContact CH2-O 3.25Å; W170-E187 HydrophobicContact CZ3-CB 4.2Å; K173-E187 WeakPolarHBondContact CE-OE1 3.44Å; K173-E187 VanDerWaalsContact NZ-CD 3.31Å; K173-E187 IonicContact NZ-OE1 3.75Å; K173-E187 PolarHBondContact NZ-OE1 3.32Å; L183-E187 HydrophobicContact CB-CB 4.18Å; L183-E187 HydrophobicContact CD2-CB 4.37Å; S184-E187 VanDerWaalsContact CB-OE2 3.3Å; S184-E187 WeakPolarHBondContact CB-OE2 3.48Å; S184-E187 PolarHBondContact N-OE2 2.98Å; S184-E187 WeakPolarHBondContact O-CA 3.44Å; S184-E187 WeakPolarHBondContact O-CB 3.4Å; S184-E187 PolarHBondContact O-N 3.14Å; S184-E187 WeakPolarHBondContact OG-CG 3.34Å; S184-E187 PolarHBondContact OG-N 3.31Å; S184-E187 PolarHBondContact OG-OE2 2.55Å; E187-R189 VanDerWaalsContact C-N 3.35Å; E187-R189 PolarHBondContact O-N 2.99Å; E187-Q190 PolarHBondContact O-N 3.31Å; E187-M191 VanDerWaalsContact O-CB 3.29Å; E187-M191 WeakPolarHBondContact O-CB 3.39Å; E187-M191 PolarHBondContact O-N 3.45Å
188V97.9Very high97.2Very high8 Ų862 Ų625%0.04833%0.329CS..Hα-helixtrans-57.8-47.3173.7172.70000110.9L130 R135 L183 S184 E185 Q190 M191 L192L130-V188 HydrophobicContact CB-CG1 4.14Å; L130-V188 HydrophobicContact CD2-CG1 4.26Å; L130-V188 HydrophobicContact CD2-CG2 4.39Å; R135-V188 HydrophobicContact CG-CG2 3.89Å; L183-V188 HydrophobicContact CB-CG2 3.88Å; S184-V188 WeakPolarHBondContact O-CG2 3.38Å; S184-V188 PolarHBondContact O-N 2.64Å; E185-V188 PolarHBondContact O-N 2.69Å; V188-Q190 PolarHBondContact O-N 2.88Å; V188-M191 PolarHBondContact O-N 3.49Å; V188-L192 HydrophobicContact CG1-CD1 4.14Å; V188-L192 WeakPolarHBondContact O-CB 3.28Å; V188-L192 WeakPolarHBondContact O-CG 3.15Å; V188-L192 PolarHBondContact O-N 3.24Å
189R97.4Very high97.2Very high166 Ų16658 Ų5863%0.62631%0.309SS*.Hα-helixtrans-62.5-41.6178-72.4-178.9-173-165.54.2112.2E185 A186 E187 F193E185-R189 WeakPolarHBondContact O-CG 3.47Å; E185-R189 PolarHBondContact O-N 2.79Å; E185-R189 IonicContact OE1-CZ 3.39Å; E185-R189 IonicContact OE1-NE 3.47Å; E185-R189 PolarHBondContact OE1-NE 3.21Å; E185-R189 IonicContact OE1-NH2 2.68Å; E185-R189 PolarHBondContact OE1-NH2 3.41Å; A186-R189 PolarHBondContact O-N 2.81Å; E187-R189 VanDerWaalsContact C-N 3.35Å; E187-R189 PolarHBondContact O-N 2.99Å; R189-F193 PolarHBondContact O-N 2.95Å; R189-F193 VanDerWaalsContact O-N 3.15Å
190Q98.1Very high97.2Very high93 Ų9358.2 Ų58.244%0.43530%0.302SS..Hα-helixtrans-66.9-42.6176.5-172.459.650.100111.5W170 A186 E187 V188 L192 F193 D194W170-Q190 HydrophobicContact CH2-CB 4.23Å; W170-Q190 HydrophobicContact CH2-CG 4.44Å; W170-Q190 HydrophobicContact CZ2-CB 4.03Å; W170-Q190 HydrophobicContact CZ2-CG 3.91Å; A186-Q190 PolarHBondContact O-N 2.88Å; E187-Q190 PolarHBondContact O-N 3.31Å; V188-Q190 PolarHBondContact O-N 2.88Å; Q190-L192 PolarHBondContact O-N 3.33Å; Q190-F193 WeakPolarHBondContact O-CB 3.35Å; Q190-F193 PolarHBondContact O-N 2.94Å; Q190-D194 PolarHBondContact NE2-OD1 2.77Å; Q190-D194 VanDerWaalsContact O-CG 3.26Å; Q190-D194 PolarHBondContact O-N 3.37Å
191M98Very high97.1Very high0 Ų053.9 Ų53.90%027%0.272CS..Hα-helixtrans-63.6-42.5178.9-172172.6177.600111.5I126 L130 I140 L144 W170 M174 L183 E187 V188 F193 D194 L195I126-M191 HydrophobicContact CG2-CE 4.02Å; L130-M191 HydrophobicContact CD1-CB 4.14Å; L130-M191 HydrophobicContact CD1-CE 4.23Å; L130-M191 HydrophobicContact CD1-CG 3.73Å; L130-M191 HydrophobicContact CD1-SD 3.81Å; L130-M191 HydrophobicContact CD2-SD 4.1Å; I140-M191 HydrophobicContact CG2-CE 3.71Å; I140-M191 HydrophobicContact CG2-SD 4.43Å; L144-M191 HydrophobicContact CD1-CE 3.74Å; L144-M191 HydrophobicContact CD2-CE 3.8Å; L144-M191 HydrophobicContact CG-CE 4.32Å; W170-M191 HydrophobicContact CB-CE 4.48Å; W170-M191 HydrophobicContact CD2-CB 4.05Å; W170-M191 HydrophobicContact CD2-CG 3.84Å; W170-M191 HydrophobicContact CD2-SD 4.13Å; W170-M191 HydrophobicContact CE3-CB 4.28Å; W170-M191 HydrophobicContact CE3-CG 4.26Å; W170-M191 HydrophobicContact CE3-SD 4.1Å; W170-M191 HydrophobicContact CG-CG 4.14Å; W170-M191 HydrophobicContact CG-SD 4.43Å; W170-M191 HydrophobicContact CH2-CB 3.83Å; W170-M191 VanDerWaalsContact CZ2-CA 3.4Å; W170-M191 HydrophobicContact CZ2-CB 3.58Å; W170-M191 HydrophobicContact CZ2-CG 4.26Å; W170-M191 VanDerWaalsContact CZ2-N 3.34Å; W170-M191 HydrophobicContact CZ3-CB 4.17Å; M174-M191 HydrophobicContact CE-CE 3.89Å; M174-M191 HydrophobicContact CE-SD 3.85Å; L183-M191 HydrophobicContact CD1-SD 3.73Å; E187-M191 VanDerWaalsContact O-CB 3.29Å; E187-M191 WeakPolarHBondContact O-CB 3.39Å; E187-M191 PolarHBondContact O-N 3.45Å; V188-M191 PolarHBondContact O-N 3.49Å; M191-F193 VanDerWaalsContact C-N 3.34Å; M191-F193 PolarHBondContact O-N 3.1Å; M191-D194 PolarHBondContact O-N 3.48Å; M191-L195 HydrophobicContact CE-CD1 4.06Å; M191-L195 HydrophobicContact CG-CD1 3.98Å; M191-L195 HydrophobicContact CG-CG 4.33Å; M191-L195 WeakPolarHBondContact O-CB 3.41Å; M191-L195 VanDerWaalsContact O-CG 3.27Å; M191-L195 WeakPolarHBondContact O-CG 3.32Å; M191-L195 PolarHBondContact O-N 2.87Å
192L98Very high97Very high37 Ų3750.8 Ų50.819%0.19426%0.255CS..Hα-helixtrans-58.4-44.8173.1-80.2170.4000112.1M127 L130 R131 V188 Q190 D196M127-L192 HydrophobicContact CB-CD2 4.02Å; M127-L192 HydrophobicContact CG-CD2 4.14Å; M127-L192 WeakPolarHBondContact O-CD2 3.36Å; L130-L192 HydrophobicContact CB-CD1 4.33Å; L130-L192 HydrophobicContact CB-CD2 3.79Å; L130-L192 HydrophobicContact CB-CG 3.94Å; L130-L192 HydrophobicContact CD1-CD2 4.07Å; L130-L192 HydrophobicContact CD1-CG 4.1Å; R131-L192 HydrophobicContact CG-CD1 4.25Å; R131-L192 HydrophobicContact CG-CD2 4.09Å; V188-L192 HydrophobicContact CG1-CD1 4.14Å; V188-L192 WeakPolarHBondContact O-CB 3.28Å; V188-L192 WeakPolarHBondContact O-CG 3.15Å; V188-L192 PolarHBondContact O-N 3.24Å; Q190-L192 PolarHBondContact O-N 3.33Å; L192-D196 VanDerWaalsContact O-CB 3.26Å; L192-D196 WeakPolarHBondContact O-CB 3.42Å; L192-D196 PolarHBondContact O-N 3.34Å
193F97.8Very high96.8Very high126 Ų12646.4 Ų46.455%0.55324%0.236SC*.Hα-helixtrans-62.8-44.3177.1173.1-94.3000112.3R189 Q190 M191 S197R189-F193 PolarHBondContact O-N 2.95Å; R189-F193 VanDerWaalsContact O-N 3.15Å; Q190-F193 WeakPolarHBondContact O-CB 3.35Å; Q190-F193 PolarHBondContact O-N 2.94Å; M191-F193 VanDerWaalsContact C-N 3.34Å; M191-F193 PolarHBondContact O-N 3.1Å; F193-S197 VanDerWaalsContact O-CB 3.28Å; F193-S197 WeakPolarHBondContact O-CB 3.46Å; F193-S197 PolarHBondContact O-N 3.44Å; F193-S197 PolarHBondContact O-OG 3.42Å
194D97.8Very high96.6Very high28 Ų2853.3 Ų53.315%0.1526%0.262CS..Hα-helixtrans-66.3-42.1-179.4-68.3-21.6000111.7R166 W170 Q190 M191 G198R166-D194 HydrophobicContact CB-CB 4.5Å; R166-D194 WeakPolarHBondContact CD-O 3.28Å; W170-D194 PolarHBondContact NE1-OD2 2.74Å; Q190-D194 PolarHBondContact NE2-OD1 2.77Å; Q190-D194 VanDerWaalsContact O-CG 3.26Å; Q190-D194 PolarHBondContact O-N 3.37Å; M191-D194 PolarHBondContact O-N 3.48Å; D194-G198 PolarHBondContact O-N 3.2Å
195L97.7Very high96.2Very high3 Ų352.2 Ų52.22%0.01625%0.253CS..Hα-helixtrans-67.7-43.8176.7-72.2174.9000112.1F123 I126 M127 L130 L144 L147 V167 M191 S197 G198 Y199F123-L195 HydrophobicContact CD1-CD2 4.18Å; F123-L195 HydrophobicContact CE1-CD2 4.06Å; I126-L195 HydrophobicContact CB-CD1 4.26Å; I126-L195 HydrophobicContact CG2-CD1 3.5Å; I126-L195 VanDerWaalsContact CG2-CD1 3.5Å; M127-L195 HydrophobicContact CG-CB 3.92Å; M127-L195 HydrophobicContact CG-CD1 4.17Å; M127-L195 HydrophobicContact SD-CB 4.28Å; L130-L195 HydrophobicContact CD1-CD1 3.85Å; L144-L195 HydrophobicContact CD1-CD2 4.18Å; L147-L195 HydrophobicContact CD2-CD2 4.11Å; V167-L195 HydrophobicContact CG2-CD2 4.18Å; M191-L195 HydrophobicContact CE-CD1 4.06Å; M191-L195 HydrophobicContact CG-CD1 3.98Å; M191-L195 HydrophobicContact CG-CG 4.33Å; M191-L195 WeakPolarHBondContact O-CB 3.41Å; M191-L195 VanDerWaalsContact O-CG 3.27Å; M191-L195 WeakPolarHBondContact O-CG 3.32Å; M191-L195 PolarHBondContact O-N 2.87Å; L195-S197 VanDerWaalsContact C-N 3.33Å; L195-S197 PolarHBondContact O-N 3.36Å; L195-G198 PolarHBondContact O-N 2.92Å; L195-Y199 VanDerWaalsContact O-CB 3.29Å; L195-Y199 WeakPolarHBondContact O-CB 3.41Å; L195-Y199 PolarHBondContact O-N 2.79Å
196D97.1Very high95.8Very high62 Ų6249.2 Ų49.233%0.33224%0.24SC..Hα-helixtrans-62.5-43.3176-172.780.1000110.8M127 L192 G198 Y199 N200M127-D196 HydrophobicContact SD-CB 4.23Å; L192-D196 VanDerWaalsContact O-CB 3.26Å; L192-D196 WeakPolarHBondContact O-CB 3.42Å; L192-D196 PolarHBondContact O-N 3.34Å; D196-G198 PolarHBondContact O-N 3.42Å; D196-Y199 PolarHBondContact O-N 3.31Å; D196-N200 WeakPolarHBondContact O-CB 3.45Å; D196-N200 PolarHBondContact O-N 3.02Å; D196-N200 PolarHBondContact O-ND2 3.08Å; D196-N200 PolarHBondContact OD2-ND2 2.91Å
197S96.1Very high95.2Very high24 Ų2452.1 Ų52.117%0.16824%0.241CC..Hα-helixtrans-62.6-42.7175.4-60.70000111.8F193 L195 A201F193-S197 VanDerWaalsContact O-CB 3.28Å; F193-S197 WeakPolarHBondContact O-CB 3.46Å; F193-S197 PolarHBondContact O-N 3.44Å; F193-S197 PolarHBondContact O-OG 3.42Å; L195-S197 VanDerWaalsContact C-N 3.33Å; L195-S197 PolarHBondContact O-N 3.36Å; S197-A201 WeakPolarHBondContact O-CB 3.27Å; S197-A201 PolarHBondContact O-N 3.14Å
198G95.7Very high94.3Very high1 Ų154.1 Ų54.11%0.0126%0.26CS..Hα-helixtrans-64.6-42.1175.100000113.2D194 L195 D196 A201 F202D194-G198 PolarHBondContact O-N 3.2Å; L195-G198 PolarHBondContact O-N 2.92Å; D196-G198 PolarHBondContact O-N 3.42Å; G198-A201 WeakPolarHBondContact O-CB 3.2Å; G198-A201 PolarHBondContact O-N 3.47Å; G198-F202 WeakPolarHBondContact O-CB 3.34Å; G198-F202 PolarHBondContact O-N 2.93Å
199Y96.7Very high92.5Very high46 Ų4657 Ų5718%0.1829%0.292CS..Hα-helixtrans-65-42.2175.7178.3-113.5000111.9V120 F123 M127 L195 D196 F202 N203V120-Y199 HydrophobicContact CB-CE2 4.41Å; V120-Y199 HydrophobicContact CG1-CE2 4.09Å; V120-Y199 HydrophobicContact CG2-CE2 4.23Å; F123-Y199 HydrophobicContact CB-CD2 3.68Å; F123-Y199 HydrophobicContact CB-CE2 4.35Å; F123-Y199 HydrophobicContact CB-CG 4.26Å; F123-Y199 AromaticContact CD2-CD2 3.77Å; F123-Y199 HydrophobicContact CD2-CD2 3.77Å; F123-Y199 AromaticContact CG-CD2 3.79Å; F123-Y199 HydrophobicContact CG-CD2 3.79Å; F123-Y199 HydrophobicContact CG-CG 4.29Å; M127-Y199 HydrophobicContact CE-CD1 4.39Å; M127-Y199 HydrophobicContact CE-CG 4.38Å; L195-Y199 VanDerWaalsContact O-CB 3.29Å; L195-Y199 WeakPolarHBondContact O-CB 3.41Å; L195-Y199 PolarHBondContact O-N 2.79Å; D196-Y199 PolarHBondContact O-N 3.31Å; Y199-F202 WeakPolarHBondContact O-CB 3.49Å; Y199-F202 PolarHBondContact O-N 3.45Å; Y199-N203 WeakPolarHBondContact CE1-ND2 3.5Å; Y199-N203 PolarHBondContact O-N 2.68Å; Y199-N203 PolarHBondContact O-ND2 2.98Å
200N95.4Very high90Very high64 Ų6460 Ų6034%0.34231%0.313SS..Hα-helixtrans-65-39.9175-73.9-37.2000111.7D196 N203 R204D196-N200 WeakPolarHBondContact O-CB 3.45Å; D196-N200 PolarHBondContact O-N 3.02Å; D196-N200 PolarHBondContact O-ND2 3.08Å; D196-N200 PolarHBondContact OD2-ND2 2.91Å; N200-N203 PolarHBondContact O-N 3.26Å; N200-R204 WeakPolarHBondContact O-CG 3.26Å; N200-R204 PolarHBondContact O-N 3.28Å
201A94.3Very high89.5Confident4 Ų458.4 Ų58.43%0.03331%0.307CS..Hα-helixtrans-63.1-43.9172.900000111.9F161 E162 S197 G198 N203 R204 T205F161-A201 HydrophobicContact CE2-CB 3.8Å; F161-A201 HydrophobicContact CZ-CB 4.04Å; E162-A201 HydrophobicContact CG-CB 4.03Å; E162-A201 WeakPolarHBondContact OE1-CB 3.25Å; S197-A201 WeakPolarHBondContact O-CB 3.27Å; S197-A201 PolarHBondContact O-N 3.14Å; G198-A201 WeakPolarHBondContact O-CB 3.2Å; G198-A201 PolarHBondContact O-N 3.47Å; A201-N203 PolarHBondContact O-N 2.87Å; A201-R204 VanDerWaalsContact CA-NH2 3.34Å; A201-R204 PolarHBondContact O-N 3.16Å; A201-T205 PolarHBondContact O-N 3.12Å; A201-T205 PolarHBondContact O-OG1 3.48Å; A201-T205 VanDerWaalsContact O-OG1 3.08Å
202F94.9Very high89.1Confident0 Ų061.5 Ų61.50%032%0.323CS..Hα-helixtrans-57.4-50.7176.4179.7-106.4000110.6I116 T119 V120 F123 L151 L154 L157 F161 G198 Y199 R204 T205 L206I116-F202 HydrophobicContact CG1-CZ 4.44Å; I116-F202 HydrophobicContact CG2-CE1 4.39Å; I116-F202 HydrophobicContact CG2-CZ 4.34Å; T119-F202 HydrophobicContact CG2-CD1 4.16Å; T119-F202 HydrophobicContact CG2-CD2 4.14Å; T119-F202 HydrophobicContact CG2-CE1 3.78Å; T119-F202 HydrophobicContact CG2-CE2 3.81Å; T119-F202 HydrophobicContact CG2-CG 4.32Å; T119-F202 HydrophobicContact CG2-CZ 3.61Å; V120-F202 HydrophobicContact CG2-CD1 4.5Å; V120-F202 HydrophobicContact CG2-CE1 3.91Å; F123-F202 HydrophobicContact CE2-CB 4.33Å; F123-F202 HydrophobicContact CE2-CG 4.43Å; L151-F202 HydrophobicContact CD2-CD2 4.1Å; L151-F202 HydrophobicContact CD2-CE2 4.36Å; L154-F202 HydrophobicContact CD1-CE2 3.54Å; L154-F202 HydrophobicContact CD1-CZ 3.75Å; L157-F202 HydrophobicContact CD1-CD2 3.97Å; L157-F202 HydrophobicContact CD1-CE2 3.96Å; L157-F202 HydrophobicContact CD2-CD2 3.61Å; L157-F202 HydrophobicContact CD2-CE2 3.79Å; L157-F202 HydrophobicContact CG-CD2 4.33Å; L157-F202 HydrophobicContact CG-CE2 4.22Å; F161-F202 HydrophobicContact CZ-CB 3.8Å; F161-F202 HydrophobicContact CZ-CD2 4.38Å; G198-F202 WeakPolarHBondContact O-CB 3.34Å; G198-F202 PolarHBondContact O-N 2.93Å; Y199-F202 WeakPolarHBondContact O-CB 3.49Å; Y199-F202 PolarHBondContact O-N 3.45Å; F202-R204 PolarHBondContact O-N 2.82Å; F202-T205 WeakPolarHBondContact O-CB 3.25Å; F202-T205 PolarHBondContact O-N 3.15Å; F202-T205 VanDerWaalsContact O-N 3.14Å; F202-L206 HydrophobicContact CD1-CD1 4.06Å; F202-L206 HydrophobicContact CD1-CG 4.4Å; F202-L206 HydrophobicContact CE1-CD1 3.52Å; F202-L206 HydrophobicContact CE1-CD2 4.41Å; F202-L206 HydrophobicContact CE1-CG 4.08Å; F202-L206 HydrophobicContact CE2-CD2 4.32Å; F202-L206 HydrophobicContact CZ-CD1 3.93Å; F202-L206 HydrophobicContact CZ-CD2 4.01Å; F202-L206 HydrophobicContact CZ-CG 4.16Å; F202-L206 WeakPolarHBondContact O-CG 3.25Å; F202-L206 PolarHBondContact O-N 3.31Å
203N93.6Very high88.6Confident36 Ų3662.8 Ų62.819%0.19333%0.331CS..Hα-helixtrans-57.4-47.1175.2-78.1-35.4000111.7Y199 N200 A201 T205 L206 H207Y199-N203 WeakPolarHBondContact CE1-ND2 3.5Å; Y199-N203 PolarHBondContact O-N 2.68Å; Y199-N203 PolarHBondContact O-ND2 2.98Å; N200-N203 PolarHBondContact O-N 3.26Å; A201-N203 PolarHBondContact O-N 2.87Å; N203-T205 VanDerWaalsContact C-N 3.28Å; N203-T205 PolarHBondContact O-N 3.44Å; N203-L206 PolarHBondContact O-N 2.97Å; N203-L206 VanDerWaalsContact O-N 3.12Å; N203-H207 PolarHBondContact O-N 3.36Å; N203-H207 PolarHBondContact O-ND1 2.92Å
204R92.4Very high88.1Confident148 Ų14859.1 Ų59.156%0.55832%0.317SS*.Hα-helixtrans-54.7-44.7176.2-74.3-172.5-60.7-91.54.7111.8E162 N200 A201 F202 L206 H207 S208E162-R204 IonicContact OE1-NH2 3.79Å; N200-R204 WeakPolarHBondContact O-CG 3.26Å; N200-R204 PolarHBondContact O-N 3.28Å; A201-R204 VanDerWaalsContact CA-NH2 3.34Å; A201-R204 PolarHBondContact O-N 3.16Å; F202-R204 PolarHBondContact O-N 2.82Å; R204-L206 PolarHBondContact O-N 2.88Å; R204-H207 PolarHBondContact O-N 2.62Å; R204-S208 WeakPolarHBondContact O-CB 3.38Å; R204-S208 PolarHBondContact O-N 2.63Å; R204-S208 PolarHBondContact O-OG 2.96Å; R204-S208 VanDerWaalsContact O-OG 3.12Å
205T89.9Confident87.5Confident29 Ų2961.1 Ų61.118%0.17833%0.328CS..Hα-helixtrans-61.4-42.6177.8-53.10000112.2L157 A201 F202 N203 H207 S208 G209L157-T205 HydrophobicContact CD2-CG2 3.85Å; A201-T205 PolarHBondContact O-N 3.12Å; A201-T205 PolarHBondContact O-OG1 3.48Å; A201-T205 VanDerWaalsContact O-OG1 3.08Å; F202-T205 WeakPolarHBondContact O-CB 3.25Å; F202-T205 PolarHBondContact O-N 3.15Å; F202-T205 VanDerWaalsContact O-N 3.14Å; N203-T205 VanDerWaalsContact C-N 3.28Å; N203-T205 PolarHBondContact O-N 3.44Å; T205-H207 VanDerWaalsContact C-N 3.33Å; T205-H207 PolarHBondContact O-N 3.08Å; T205-S208 WeakPolarHBondContact CA-OG 3.48Å; T205-S208 PolarHBondContact O-N 3.3Å; T205-S208 PolarHBondContact O-OG 3.23Å; T205-G209 PolarHBondContact O-N 3.25Å; T205-G209 VanDerWaalsContact O-N 3.09Å
206L88.6Confident86.8Confident36 Ų3664.9 Ų64.919%0.18835%0.349CS..Hα-helixtrans-62.6-38.8176.2-62.9-173.4000112.7I116 I156 F202 N203 R204I116-L206 HydrophobicContact CD1-CD2 3.89Å; I116-L206 HydrophobicContact CG1-CD2 4.05Å; I116-L206 HydrophobicContact CG2-CD1 3.71Å; I116-L206 HydrophobicContact CG2-CD2 4.5Å; I156-L206 HydrophobicContact CD1-CD2 3.3Å; I156-L206 HydrophobicContact CG1-CD2 4.44Å; F202-L206 HydrophobicContact CD1-CD1 4.06Å; F202-L206 HydrophobicContact CD1-CG 4.4Å; F202-L206 HydrophobicContact CE1-CD1 3.52Å; F202-L206 HydrophobicContact CE1-CD2 4.41Å; F202-L206 HydrophobicContact CE1-CG 4.08Å; F202-L206 HydrophobicContact CE2-CD2 4.32Å; F202-L206 HydrophobicContact CZ-CD1 3.93Å; F202-L206 HydrophobicContact CZ-CD2 4.01Å; F202-L206 HydrophobicContact CZ-CG 4.16Å; F202-L206 WeakPolarHBondContact O-CG 3.25Å; F202-L206 PolarHBondContact O-N 3.31Å; N203-L206 PolarHBondContact O-N 2.97Å; N203-L206 VanDerWaalsContact O-N 3.12Å; R204-L206 PolarHBondContact O-N 2.88Å
207H83.9Confident86.1Confident134 Ų13465.1 Ų65.162%0.6235%0.35SS*.Hα-helixtrans-77.6-29.7179.9-67.283000112.4N203 R204 T205 G209N203-H207 PolarHBondContact O-N 3.36Å; N203-H207 PolarHBondContact O-ND1 2.92Å; R204-H207 PolarHBondContact O-N 2.62Å; T205-H207 VanDerWaalsContact C-N 3.33Å; T205-H207 PolarHBondContact O-N 3.08Å; H207-G209 VanDerWaalsContact C-N 3.34Å
208S78.4Confident85.3Confident91 Ų9168.3 Ų68.364%0.63636%0.364SS*.Hα-helixtrans-78.1-17.3174.659.80000114.1R204 T205R204-S208 WeakPolarHBondContact O-CB 3.38Å; R204-S208 PolarHBondContact O-N 2.63Å; R204-S208 PolarHBondContact O-OG 2.96Å; R204-S208 VanDerWaalsContact O-OG 3.12Å; T205-S208 WeakPolarHBondContact CA-OG 3.48Å; T205-S208 PolarHBondContact O-N 3.3Å; T205-S208 PolarHBondContact O-OG 3.23Å
209G60.6Low84.4Confident70 Ų7073.9 Ų73.972%0.72239%0.393SS*.THydrogen-bonded Turntrans-89.36.1179.200000114.8T205 H207T205-G209 PolarHBondContact O-N 3.25Å; T205-G209 VanDerWaalsContact O-N 3.09Å; H207-G209 VanDerWaalsContact C-N 3.34Å
210Q44.1Very low83.3Confident229 Ų22976.5 Ų76.5100%1.0741%0.413SS*.  trans-93.90167.6-67.9-168.1-7.900110.5

Retrieved 210 of 210 residues in 194 ms (Link to these results)

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