A0A087YHJ2_POEFO Loading...

CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2

AlphaFold DB , UniProt , Accession A0A087YHJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 384 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
1M57Low72.4Confident214 Ų214142.8 Ų142.8100%1.05469%0.686SS**  0-51.90-71.7-170.1-79.500114.2V3 R4M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.13Å; M1-V3 VanDerWaalsContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 3.11Å; M1-R4 VanDerWaalsContact O-N 3.13Å
2L54.8Low73.5Confident136 Ų136135.4 Ų135.471%0.71267%0.666SS**Hα-helixtrans-46.4-44-172.7-12075.4000115.7R4 R5 K6L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.08Å; L2-R5 PolarHBondContact O-N 3.36Å; L2-R5 VanDerWaalsContact O-N 3.12Å; L2-K6 PolarHBondContact O-N 3.08Å; L2-K6 VanDerWaalsContact O-N 3.08Å
3V63.8Low74.6Confident122 Ų122131.4 Ų131.474%0.73965%0.653SS**Hα-helixtrans-58.2-41.7-177.3-177.50000112.5M1 R5 K6 L7M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.13Å; M1-V3 VanDerWaalsContact O-N 3.11Å; V3-R5 PolarHBondContact O-N 2.95Å; V3-K6 PolarHBondContact O-N 3.28Å; V3-L7 PolarHBondContact O-N 3.28Å
4R65.1Low75.5Confident194 Ų194125.1 Ų125.173%0.73263%0.632SS**Hα-helixtrans-63.1-40.8176.9-72.7-172.1179.5175.4-0.2111.6M1 L2 L7 Y8M1-R4 PolarHBondContact O-N 3.11Å; M1-R4 VanDerWaalsContact O-N 3.13Å; L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.08Å; R4-L7 PolarHBondContact O-N 3.45Å; R4-Y8 WeakPolarHBondContact O-CD2 3.47Å; R4-Y8 PolarHBondContact O-N 3.12Å
5R65.9Low76.6Confident203 Ų203121.7 Ų121.777%0.76662%0.62SS**Hα-helixtrans-63.2-42.3175.5-76.7-171.9175.2179-1.1112.1L2 V3 Y8 V9L2-R5 PolarHBondContact O-N 3.36Å; L2-R5 VanDerWaalsContact O-N 3.12Å; V3-R5 PolarHBondContact O-N 2.95Å; R5-Y8 PolarHBondContact O-N 3.01Å; R5-V9 WeakPolarHBondContact O-CG2 3.37Å; R5-V9 PolarHBondContact O-N 3.29Å
6K71.2Confident77.1Confident150 Ų150118.9 Ų118.965%0.65261%0.611SS**Hα-helixtrans-62.5-41.4174.4-71.4-166.1174.4-1710112L2 V3 V9 V10L2-K6 PolarHBondContact O-N 3.08Å; L2-K6 VanDerWaalsContact O-N 3.08Å; V3-K6 PolarHBondContact O-N 3.28Å; K6-V9 PolarHBondContact O-N 3.22Å; K6-V10 WeakPolarHBondContact O-CG2 3.1Å; K6-V10 PolarHBondContact O-N 3.43Å; K6-V10 VanDerWaalsContact O-N 3.08Å
7L80.4Confident77.4Confident110 Ų110117.7 Ų117.758%0.57661%0.605SS**Hα-helixtrans-61.8-44.9177-17363.3000112.2V3 R4 V9 V10 V11V3-L7 PolarHBondContact O-N 3.28Å; R4-L7 PolarHBondContact O-N 3.45Å; L7-V9 VanDerWaalsContact C-N 3.32Å; L7-V9 PolarHBondContact O-N 3.24Å; L7-V10 PolarHBondContact O-N 3.38Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 2.93Å
8Y79.8Confident77.9Confident173 Ų173117.7 Ų117.768%0.67861%0.606SS**Hα-helixtrans-60.1-38.1175.8-77.9-64.3000113.1R4 R5 A12R4-Y8 WeakPolarHBondContact O-CD2 3.47Å; R4-Y8 PolarHBondContact O-N 3.12Å; R5-Y8 PolarHBondContact O-N 3.01Å; Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 2.94Å
9V82.5Confident78.1Confident94 Ų94117.6 Ų117.657%0.5761%0.606SS**Hα-helixtrans-66.2-44.2176174.50000111.2R5 K6 L7 V11 A12 V13R5-V9 WeakPolarHBondContact O-CG2 3.37Å; R5-V9 PolarHBondContact O-N 3.29Å; K6-V9 PolarHBondContact O-N 3.22Å; L7-V9 VanDerWaalsContact C-N 3.32Å; L7-V9 PolarHBondContact O-N 3.24Å; V9-V11 PolarHBondContact O-N 2.98Å; V9-A12 PolarHBondContact O-N 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.34Å; V9-V13 PolarHBondContact O-N 3.49Å
10V87.5Confident78.1Confident98 Ų98117.9 Ų117.959%0.59461%0.606SS**Hα-helixtrans-62-43.9176.91730000111.3K6 L7 V13 A14K6-V10 WeakPolarHBondContact O-CG2 3.1Å; K6-V10 PolarHBondContact O-N 3.43Å; K6-V10 VanDerWaalsContact O-N 3.08Å; L7-V10 PolarHBondContact O-N 3.38Å; V10-V13 PolarHBondContact O-N 3.32Å; V10-A14 WeakPolarHBondContact O-CB 3.37Å; V10-A14 PolarHBondContact O-N 3.5Å
11V88.4Confident78.1Confident77 Ų77117.5 Ų117.547%0.46760%0.604SS.*Hα-helixtrans-63-43.5176.2171.90000111.4L7 V9 V13 A14 V15L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 2.93Å; V9-V11 PolarHBondContact O-N 2.98Å; V11-V13 PolarHBondContact O-N 2.97Å; V11-A14 PolarHBondContact O-N 3.42Å; V11-V15 HydrophobicContact CG1-CG2 4.49Å; V11-V15 WeakPolarHBondContact O-CG2 3.36Å; V11-V15 PolarHBondContact O-N 2.96Å
12A85.5Confident78.8Confident54 Ų54109.5 Ų109.545%0.44657%0.572SS.*Hα-helixtrans-62.2-43.9177.600000112.4Y8 V9 V15 V16Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 2.94Å; V9-A12 PolarHBondContact O-N 3.31Å; A12-V15 PolarHBondContact O-N 2.99Å; A12-V16 WeakPolarHBondContact O-CG2 3.31Å; A12-V16 PolarHBondContact O-N 3.02Å
13V87.4Confident79.3Confident83 Ų83106.2 Ų106.250%0.50356%0.561SS.*Hα-helixtrans-63.5-42.5176.1171.70000111.3V9 V10 V11 V15 V16 L17V9-V13 WeakPolarHBondContact O-CG2 3.34Å; V9-V13 PolarHBondContact O-N 3.49Å; V10-V13 PolarHBondContact O-N 3.32Å; V11-V13 PolarHBondContact O-N 2.97Å; V13-V15 PolarHBondContact O-N 3.42Å; V13-V16 PolarHBondContact O-N 3.48Å; V13-L17 HydrophobicContact CG1-CD1 3.99Å; V13-L17 WeakPolarHBondContact O-CG 3.36Å; V13-L17 PolarHBondContact O-N 3.36Å
14A88.3Confident79.4Confident44 Ų44106.2 Ų106.236%0.36455%0.553SS.*Hα-helixtrans-62.3-41.4176.400000112.6V10 V11 L17 L18V10-A14 WeakPolarHBondContact O-CB 3.37Å; V10-A14 PolarHBondContact O-N 3.5Å; V11-A14 PolarHBondContact O-N 3.42Å; A14-L17 PolarHBondContact O-N 2.97Å; A14-L18 WeakPolarHBondContact O-CB 3.4Å; A14-L18 WeakPolarHBondContact O-CG 3.48Å; A14-L18 PolarHBondContact O-N 3Å
15V90.8Very high79Confident73 Ų7399.9 Ų99.944%0.44254%0.538SS..Hα-helixtrans-64.2-43175.7169.60000111.5V11 A12 V13 L17 L18 L19V11-V15 HydrophobicContact CG1-CG2 4.49Å; V11-V15 WeakPolarHBondContact O-CG2 3.36Å; V11-V15 PolarHBondContact O-N 2.96Å; A12-V15 PolarHBondContact O-N 2.99Å; V13-V15 PolarHBondContact O-N 3.42Å; V15-L17 PolarHBondContact O-N 2.83Å; V15-L18 PolarHBondContact O-N 3.49Å; V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.48Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.39Å; V15-L19 PolarHBondContact O-N 3.33Å
16V85.3Confident78.5Confident78 Ų7895.1 Ų95.147%0.47353%0.527SS..Hα-helixtrans-62.8-42.4176.5171.10000111.6A12 V13 L19 M20A12-V16 WeakPolarHBondContact O-CG2 3.31Å; A12-V16 PolarHBondContact O-N 3.02Å; V13-V16 PolarHBondContact O-N 3.48Å; V16-L19 PolarHBondContact O-N 3.37Å; V16-M20 PolarHBondContact O-N 2.97Å
17L82.9Confident77.5Confident98 Ų9894.6 Ų94.651%0.51353%0.526SS..Hα-helixtrans-63.5-43.1176.2-73.2168.1000112.2V13 A14 V15 L19 M20 L21V13-L17 HydrophobicContact CG1-CD1 3.99Å; V13-L17 WeakPolarHBondContact O-CG 3.36Å; V13-L17 PolarHBondContact O-N 3.36Å; A14-L17 PolarHBondContact O-N 2.97Å; V15-L17 PolarHBondContact O-N 2.83Å; L17-L19 PolarHBondContact O-N 2.68Å; L17-M20 PolarHBondContact O-N 2.98Å; L17-L21 WeakPolarHBondContact O-CG 2.92Å; L17-L21 PolarHBondContact O-N 3.34Å
18L86.2Confident76.2Confident118 Ų11899.7 Ų99.762%0.61854%0.538SS*.Hα-helixtrans-61.9-40.7175.3-76.3166.5000112.2A14 V15 L21 A22A14-L18 WeakPolarHBondContact O-CB 3.4Å; A14-L18 WeakPolarHBondContact O-CG 3.48Å; A14-L18 PolarHBondContact O-N 3Å; V15-L18 PolarHBondContact O-N 3.49Å; L18-L21 PolarHBondContact O-N 3Å; L18-A22 WeakPolarHBondContact O-CB 3.45Å; L18-A22 PolarHBondContact O-N 3.29Å
19L81Confident74.9Confident116 Ų116101.4 Ų101.461%0.60754%0.543SS*.Hα-helixtrans-65.6-38.4175.9-71.9169.2000112.3V15 V16 L17 A22 S23V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.48Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.39Å; V15-L19 PolarHBondContact O-N 3.33Å; V16-L19 PolarHBondContact O-N 3.37Å; L17-L19 PolarHBondContact O-N 2.68Å; L19-A22 PolarHBondContact O-N 2.81Å; L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3.31Å
20M78.4Confident73.1Confident123 Ų123104.6 Ų104.661%0.60655%0.552SS**Hα-helixtrans-68.2-41.1175-73.5-167.1169.100112.6V16 L17 S23 Q24V16-M20 PolarHBondContact O-N 2.97Å; L17-M20 PolarHBondContact O-N 2.98Å; M20-S23 WeakPolarHBondContact O-CB 3.49Å; M20-S23 PolarHBondContact O-N 3.49Å; M20-Q24 WeakPolarHBondContact O-CG 3.32Å; M20-Q24 PolarHBondContact O-N 3.48Å
21L77.8Confident71Confident109 Ų109106.1 Ų106.157%0.57156%0.555SS**Hα-helixtrans-64.7-39.2174.5-70.7168.7000112L17 L18 Q24 S25L17-L21 WeakPolarHBondContact O-CG 2.92Å; L17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 3Å; L21-Q24 PolarHBondContact O-N 2.91Å; L21-S25 WeakPolarHBondContact O-CB 3.14Å; L21-S25 PolarHBondContact O-N 3.36Å
22A71.8Confident68.4Low47 Ų47110 Ų11039%0.38857%0.572SS.*Hα-helixtrans-62.7-42.517300000112L18 L19 S25 I26L18-A22 WeakPolarHBondContact O-CB 3.45Å; L18-A22 PolarHBondContact O-N 3.29Å; L19-A22 PolarHBondContact O-N 2.81Å; A22-S25 WeakPolarHBondContact O-CB 3.37Å; A22-S25 PolarHBondContact O-N 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3.34Å; A22-I26 PolarHBondContact O-N 2.97Å
23S65.9Low66.1Low67 Ų67113 Ų11347%0.46959%0.587SS.*Hα-helixtrans-60.5-44.7175.8-172.80000112.4L19 M20 S25 I26 Q27L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3.31Å; M20-S23 WeakPolarHBondContact O-CB 3.49Å; M20-S23 PolarHBondContact O-N 3.49Å; S23-S25 VanDerWaalsContact C-N 3.34Å; S23-S25 PolarHBondContact O-N 3.37Å; S23-I26 PolarHBondContact O-N 2.96Å; S23-Q27 PolarHBondContact O-N 3.44Å
24Q64.6Low63.5Low122 Ų122116.7 Ų116.757%0.5760%0.603SS**Hα-helixtrans-65.5-35.1175.5-69.8-178.70.400112.8M20 L21 Q27 R28M20-Q24 WeakPolarHBondContact O-CG 3.32Å; M20-Q24 PolarHBondContact O-N 3.48Å; L21-Q24 PolarHBondContact O-N 2.91Å; Q24-Q27 PolarHBondContact O-N 2.84Å; Q24-R28 PolarHBondContact O-N 2.75Å
25S57.1Low60.8Low61 Ų61120.3 Ų120.343%0.42763%0.626SS.*Hα-helixtrans-63.2-41.6172.9-173.70000111.9L21 A22 S23 R28 R29L21-S25 WeakPolarHBondContact O-CB 3.14Å; L21-S25 PolarHBondContact O-N 3.36Å; A22-S25 WeakPolarHBondContact O-CB 3.37Å; A22-S25 PolarHBondContact O-N 3.28Å; S23-S25 VanDerWaalsContact C-N 3.34Å; S23-S25 PolarHBondContact O-N 3.37Å; S25-R28 PolarHBondContact O-N 3.49Å; S25-R29 PolarHBondContact O-N 3.02Å
26I55Low58Low103 Ų103123.9 Ų123.953%0.52864%0.641SS.*Hα-helixtrans-65.3-45.2175.9-67.6163.3000110.7A22 S23 R28 R29 H30A22-I26 WeakPolarHBondContact O-CG1 3.34Å; A22-I26 PolarHBondContact O-N 2.97Å; S23-I26 PolarHBondContact O-N 2.96Å; I26-R28 VanDerWaalsContact C-N 3.33Å; I26-R28 PolarHBondContact O-N 3.02Å; I26-R29 PolarHBondContact O-N 3.34Å; I26-R29 VanDerWaalsContact O-N 3.1Å; I26-H30 PolarHBondContact O-CD2 2.74Å; I26-H30 PolarHBondContact O-N 2.91Å
27Q51.5Low55.4Low138 Ų138124.2 Ų124.265%0.64565%0.652SS**Hα-helixtrans-61-39.4176-73.8-160.9-48.300112.7S23 Q24 R29 H30S23-Q27 PolarHBondContact O-N 3.44Å; Q24-Q27 PolarHBondContact O-N 2.84Å; Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 3.42Å; Q27-H30 PolarHBondContact O-N 2.59Å
28R52.2Low52.9Low217 Ų217127.8 Ų127.882%0.81967%0.666SS**Hα-helixtrans-65.8-23.3175-79.8-168.3174.8-150.1-0.3114.2Q24 S25 I26Q24-R28 PolarHBondContact O-N 2.75Å; S25-R28 PolarHBondContact O-N 3.49Å; I26-R28 VanDerWaalsContact C-N 3.33Å; I26-R28 PolarHBondContact O-N 3.02Å
29R52Low50Low210 Ų210130.1 Ų130.179%0.79268%0.678SS**Hα-helixtrans-83.3-15.1178.8-75.3-176.3176.8-146-2.1114.5S25 I26 Q27S25-R29 PolarHBondContact O-N 3.02Å; I26-R29 PolarHBondContact O-N 3.34Å; I26-R29 VanDerWaalsContact O-N 3.1Å; Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 3.42Å
30H45.1Very low47.6Very low160 Ų160132.7 Ų132.774%0.74169%0.687SS**THydrogen-bonded Turntrans-101.49.3179.8-76.4-71.9000114.5I26 Q27I26-H30 PolarHBondContact O-CD2 2.74Å; I26-H30 PolarHBondContact O-N 2.91Å; Q27-H30 PolarHBondContact O-N 2.59Å
31I43.5Very low45.2Very low130 Ų130132.7 Ų132.767%0.66770%0.699SS**  trans-111.295.5174.5-56175.4000108.9
32L35.1Very low42.9Very low159 Ų159136.7 Ų136.783%0.83271%0.712SS**PPolyproline II helixtrans-67.7132.3160.5-86.7160.2000108.5L34L32-L34 PolarHBondContact O-N 3.28Å
33P37Very low40.9Very low117 Ų117140.1 Ų140.176%0.7673%0.733SS**PPolyproline II helixtrans-72.3123.117629-32.5000110
34L32.6Very low39.1Very low160 Ų160143.5 Ų143.584%0.83875%0.751SS**PPolyproline II helixtrans-64.6134.2162-104.373.3000108.8L32 I36L32-L34 PolarHBondContact O-N 3.28Å; L34-I36 PolarHBondContact O-N 3.33Å
35S30.1Very low37.5Very low120 Ų120142.8 Ų142.884%0.83977%0.766SS**PPolyproline II helixtrans-68.5117.4175.3-172.40000110.1A37S35-A37 PolarHBondContact O-N 2.84Å
36I32.9Very low36.1Very low149 Ų149146 Ų14676%0.76479%0.788SS**  trans-87.9101.3172-58.6179.2000107.9L34 Q38L34-I36 PolarHBondContact O-N 3.33Å; I36-Q38 PolarHBondContact O-N 3.09Å
37A30.3Very low35Very low84 Ų84145.7 Ų145.769%0.69480%0.796SS**  trans-65.3121.5167.200000109.4S35 L39S35-A37 PolarHBondContact O-N 2.84Å; A37-L39 PolarHBondContact O-N 2.82Å
38Q30.7Very low33.9Very low174 Ų174150.1 Ų150.181%0.81381%0.806SS**  trans-77.6110.9-179.2-63.3177.8-75.400110.8I36I36-Q38 PolarHBondContact O-N 3.09Å
39L26Very low33Very low167 Ų167146.8 Ų146.887%0.87481%0.805SS**  trans-88.2114.9158.5-105.973.1000109.4A37 S41A37-L39 PolarHBondContact O-N 2.82Å; L39-S41 PolarHBondContact O-N 3.02Å
40Q30.3Very low31.9Very low170 Ų170143.4 Ų143.479%0.79481%0.808SS**  trans-84.5104.8169.5-70.2-174.3-12.100110.1K42Q40-K42 PolarHBondContact O-N 3.18Å
41S28.3Very low31.4Very low123 Ų123142.4 Ų142.486%0.8681%0.813SS**  trans-81.691.5169.844.80000111.2L39L39-S41 PolarHBondContact O-N 3.02Å
42K29.5Very low30.9Very low192 Ų192142.7 Ų142.784%0.83582%0.82SS**  trans-80.2125.8160.9-90.1-176.8173.7178.20109.8Q40Q40-K42 PolarHBondContact O-N 3.18Å
43S30.2Very low30.7Very low119 Ų119143.3 Ų143.383%0.83282%0.819SS**  trans-86.5116.8173.856.20000111.6
44T27.2Very low30.5Very low138 Ų138143.5 Ų143.585%0.84782%0.82SS**  trans-142.7127.4162.145.90000108.8
45A31.7Very low30.4Very low108 Ų108142.9 Ų142.989%0.89382%0.823SS**  trans-84.6146.2178.400000111.7
46S27.5Very low30.6Very low127 Ų127143.6 Ų143.689%0.88882%0.822SS**  trans-152.9153.7156-166.20000109.9
47S30.6Very low30.7Very low97 Ų97140.5 Ų140.568%0.67882%0.819SS**  trans-98.6140.6-175.9170.90000111.4
48R29.8Very low30.9Very low232 Ų232142.8 Ų142.888%0.87583%0.826SS**  175.9158.2123.5-97.3168179.8-176.6-1.3113.4
49D32.7Very low31Very low146 Ų146139.3 Ų139.378%0.78183%0.827SS**  trans-78146.8-177.1-42.3-96.1000113.4
50T29.6Very low31.3Very low140 Ų140138.1 Ų138.186%0.85983%0.827SS**  trans-147135.4147.9-37.40000109.7
51V34.8Very low31.4Very low139 Ų139138.2 Ų138.284%0.84283%0.832SS**  trans-94.1133.7176.9173.10000110.3
52V31.1Very low31.7Very low136 Ų136137.7 Ų137.782%0.82483%0.828SS**  trans-141.7145.9163.8-174.20000109.4
53E31.3Very low31.9Very low171 Ų171137.5 Ų137.580%0.79983%0.83SS**PPolyproline II helixtrans-85.4150.3-169.8-168.5174.3-176.700113.3
54P33.1Very low32.2Very low122 Ų122137.7 Ų137.779%0.79283%0.828SS**PPolyproline II helixtrans-81.4126.5-176.731.2-34.7000113.8
55T31.3Very low32.4Very low146 Ų146143 Ų14390%0.89683%0.833SS**PPolyproline II helixtrans-82141.5179-36.30000113.1
56V34.7Very low32.6Very low135 Ų135145.9 Ų145.982%0.81883%0.833SS**PPolyproline II helixtrans-77.7146.7-176.51770000112.9
57A34.3Very low33.3Very low84 Ų84145.1 Ų145.169%0.69482%0.824SS**PPolyproline II helixtrans-83.4142.3174.100000112.7
58P34.7Very low33.6Very low132 Ų132146.2 Ų146.286%0.85783%0.829SS**PPolyproline II helixtrans-74.8155.3-177.630.7-35.5000113.7
59A32.7Very low33.8Very low101 Ų101141.1 Ų141.184%0.83583%0.829SS**PPolyproline II helixtrans-89.6165.3-16800000115.5
60V32.5Very low33.7Very low142 Ų142140.4 Ų140.486%0.86183%0.83SS**PPolyproline II helixtrans-80.6138.4177.6177.90000111.3
61L32Very low33.8Very low173 Ų173141.8 Ų141.891%0.90683%0.83SS**PPolyproline II helixtrans-76.2136.1173.1-79.2162.9000111.9
62S33.7Very low33.5Very low112 Ų112140.2 Ų140.278%0.78383%0.826SS**  trans-116.6147.4174.855.70000111.6
63H34.3Very low34.4Very low187 Ų187138.5 Ų138.587%0.86682%0.817SS**PPolyproline II helixtrans-89.4157.3178-77.1-58.5000112.6
64P36Very low34.5Very low123 Ų123138.9 Ų138.980%0.79982%0.819SS**PPolyproline II helixtrans-81.2161.2-164.8-12.430.2000114.9
65R32.2Very low34.4Very low249 Ų249136.7 Ų136.794%0.9481%0.811SS**PPolyproline II helixtrans-96.8156.6165.3-63.3-174.9-176.7-169.41.6111
66L35.7Very low34.3Very low170 Ų170136.7 Ų136.789%0.8981%0.806SS**PPolyproline II helixtrans-83156.5171.5-77164000111.8
67P41.9Very low34.2Very low110 Ų110135.7 Ų135.771%0.71480%0.8SS**PPolyproline II helixtrans-82.2162.7-174.333.9-36.8000114
68P37.1Very low34.1Very low121 Ų121139.8 Ų139.879%0.78681%0.805SS**PPolyproline II helixtrans-82.6172.2178.435.5-36.7000113.3
69S33.4Very low34Very low124 Ų124143 Ų14387%0.86781%0.808SS**  trans-124.8136.8169.9-56.90000110.6
70T30.4Very low34.1Very low131 Ų131147.4 Ų147.480%0.80481%0.811SS**  trans-105.2133.1-171.547.80000112.5
71I31.7Very low34.1Very low169 Ų169150.1 Ų150.187%0.86782%0.815SS**  trans-140.8131149.9-59.5-178000108.8
72S30Very low34.1Very low106 Ų106150.7 Ų150.774%0.74181%0.813SS**  trans-135.6175.7161.8-49.90000105.7
73P49.1Very low33.9Very low100 Ų100154.5 Ų154.565%0.64982%0.818SS**  cis-131.2-147.56.835.2-9.8000111
74E33Very low33.8Very low179 Ų179154.6 Ų154.684%0.83682%0.819SS**  cis-150-125.35.6-157.977.2-91.200110.7
75A30.8Very low33.6Very low76 Ų76156.9 Ų156.963%0.62882%0.819SS**  trans-123.2-166.9-167.700000112.1
76D30.4Very low33.5Very low147 Ų147153.1 Ų153.179%0.78682%0.818SS**  cis-167168.345.2-109.6-35.9000113.7
77V31.4Very low33.3Very low114 Ų114151.1 Ų151.169%0.69181%0.808SS**  trans67.1106.3162.2168.10000116
78E32.9Very low33Very low169 Ų169155.5 Ų155.579%0.7982%0.819SS**  80.311769.8-75.1177.7167.700114.5
79E33Very low32.7Very low200 Ų200159.1 Ų159.194%0.93583%0.825SS**  -178.9163115.1-95.6179.4169.200110.7
80E33.6Very low32.6Very low193 Ų193161 Ų16190%0.90282%0.82SS**  trans-113.2154.1-173.1-58.117513900111.5
81E33.5Very low32.5Very low199 Ų199162.9 Ų162.993%0.9383%0.825SS**  trans-162.5152.1154.6-121.4171.4-155.500113.3
82E31.1Very low32.6Very low186 Ų186163.7 Ų163.787%0.86982%0.823SS**  trans-142167.4-176.2-66.5-170.1129.400108.4
83E30.9Very low32.7Very low191 Ų191167.2 Ų167.289%0.89383%0.828SS**  cis-99.7-144.210.5-51.5178.462.800110.6
84E30.8Very low32Very low190 Ų190169.8 Ų169.889%0.88884%0.836SS**  cis-137.5157.89.7-65.5174.9106.400109.8
85E32.1Very low32.1Very low171 Ų171172 Ų17280%0.79984%0.836SS**  trans-93150.6167.8-68.1-169.7145.800111.7
86D31.1Very low32.1Very low170 Ų170174.2 Ų174.291%0.90984%0.842SS**  trans-144.9130.7156-135.6-14.4000110.6
87N32.1Very low32.2Very low128 Ų128172 Ų17268%0.68483%0.833SS**  trans-115.6120.4-170.5-80-84.8000111.5
88E33.8Very low32.4Very low201 Ų201170.4 Ų170.494%0.93983%0.827SS**  trans-131.7149.8157-76.5-156.8145.900111.6
89E31.4Very low32.5Very low198 Ų198171 Ų17193%0.92583%0.827SS**  trans-90.7175.5-152.8-66-175.8122.400116.4
90E30.8Very low33.2Very low163 Ų163168.6 Ų168.676%0.76282%0.816SS**  trans-52.6144.8-171.3-51.4-175.1113.700116.4
91N29.5Very low34.1Very low170 Ų170163.7 Ų163.791%0.90980%0.796SS**  trans-147.678.2138.4-107.6-76.1000110E93N91-E93 PolarHBondContact O-N 3.04Å
92K32.5Very low35.3Very low186 Ų186160 Ų16081%0.80979%0.789SS**  trans-100.468.5-170.1-158.4177.4-169173.30111.8D94K92-D94 PolarHBondContact O-N 2.81Å
93E33Very low36.8Very low181 Ų181155.6 Ų155.685%0.84677%0.767SS**  trans-62.2125.6171.1-86.7-162.9141.700111.1N91 R95N91-E93 PolarHBondContact O-N 3.04Å; E93-R95 PolarHBondContact O-N 3.47Å
94D34Very low39.1Very low153 Ų153149.2 Ų149.282%0.81874%0.744SS**  trans-65.387.9179.3-97.3-39.2000112K92 V96K92-D94 PolarHBondContact O-N 2.81Å; D94-V96 PolarHBondContact O-N 2.74Å
95R34.7Very low41.7Very low226 Ų226140.6 Ų140.685%0.85371%0.705SS**  trans-7081.6157.8-75.9-166.7177.4-174.12.8109.5E93 V97E93-R95 PolarHBondContact O-N 3.47Å; R95-V97 PolarHBondContact O-N 3.2Å
96V32.3Very low44.2Very low123 Ų123134.1 Ų134.175%0.74568%0.684SS**  trans-58.991.6157.8179.80000107.4D94 S98D94-V96 PolarHBondContact O-N 2.74Å; V96-S98 PolarHBondContact O-N 3.29Å
97V32.5Very low46.9Very low100 Ų100126.4 Ų126.461%0.60664%0.643SS**  trans-69.486.5174.9-179.40000107.6R95 F99R95-V97 PolarHBondContact O-N 3.2Å; V97-F99 HydrophobicContact CG1-CD2 4.47Å; V97-F99 HydrophobicContact CG1-CE2 4.27Å; V97-F99 WeakPolarHBondContact O-CD2 3.2Å; V97-F99 PolarHBondContact O-N 3.25Å
98S35.6Very low49.4Very low80 Ų80124.5 Ų124.556%0.55964%0.64SS**  trans-61.4103.6170-173.20000107.9V96 Q100V96-S98 PolarHBondContact O-N 3.29Å; S98-Q100 PolarHBondContact O-N 2.66Å; S98-Q100 WeakPolarHBondContact OG-CG 3.47Å
99F34.8Very low51.7Low181 Ų181118.5 Ų118.579%0.79461%0.614SS**  trans-67.571.1167.8-76.4-88.1000109.3V97 N101V97-F99 HydrophobicContact CG1-CD2 4.47Å; V97-F99 HydrophobicContact CG1-CE2 4.27Å; V97-F99 WeakPolarHBondContact O-CD2 3.2Å; V97-F99 PolarHBondContact O-N 3.25Å; F99-N101 VanDerWaalsContact C-N 3.34Å; F99-N101 PolarHBondContact O-N 3.13Å
100Q46.7Very low54.3Low150 Ų150111.7 Ų111.770%0.70159%0.588SS**  trans-68.396.8168.1-63.1-1649.200107.5S98S98-Q100 PolarHBondContact O-N 2.66Å; S98-Q100 WeakPolarHBondContact OG-CG 3.47Å
101N52.7Low57.1Low90 Ų90104.1 Ų104.148%0.48155%0.553SS.*PPolyproline II helixtrans-50.2131.8169.6-77.3-34.6000108.7F99 K103 Q116F99-N101 VanDerWaalsContact C-N 3.34Å; F99-N101 PolarHBondContact O-N 3.13Å; N101-K103 PolarHBondContact O-N 3.45Å; N101-K103 VanDerWaalsContact O-N 3.08Å; N101-Q116 PolarHBondContact ND2-NE2 2.77Å; N101-Q116 PolarHBondContact ND2-OE1 2.92Å
102P58Low60.1Low121 Ų12196.2 Ų96.279%0.78651%0.511SS*.PPolyproline II helixtrans-61.1117.8-173.824-33.6000109.6S104P102-S104 PolarHBondContact O-N 3.24Å
103K64.3Low62.7Low94 Ų9489.3 Ų89.341%0.40949%0.486SS..PPolyproline II helixtrans-58.5137.9-175.7-58.6-166.5-176.7-166.30110.4N101 C105 S108 D109N101-K103 PolarHBondContact O-N 3.45Å; N101-K103 VanDerWaalsContact O-N 3.08Å; K103-C105 PolarHBondContact O-N 3Å; K103-S108 PolarHBondContact NZ-O 2.99Å; K103-D109 PolarHBondContact NZ-O 3.29Å
104S79.3Confident65.3Low57 Ų5782.5 Ų82.540%0.39946%0.456SS..SBendtrans-69.8-5.9-173.4-51.30000114.2P102 S113 D114P102-S104 PolarHBondContact O-N 3.24Å; S104-S113 VanDerWaalsContact CB-OG 3.29Å; S104-S113 WeakPolarHBondContact CB-OG 3.48Å; S104-D114 WeakPolarHBondContact CB-OD1 3.36Å; S104-D114 PolarHBondContact N-OD1 3.19Å; S104-D114 PolarHBondContact OG-OD1 3.44Å
105C84.1Confident67.8Low10 Ų1078.4 Ų78.47%0.06843%0.433CS..SBendtrans-152.5171.7-174.280.90000111.8K103 C107 C111 D328K103-C105 PolarHBondContact O-N 3Å; C105-C107 PolarHBondContact O-N 3.43Å; C105-C107 VanDerWaalsContact O-N 3.09Å; C105-C107 VanDerWaalsContact SG-CB 3.53Å; C105-C107 PolarHBondContact SG-SG 3.02Å; C105-C111 VanDerWaalsContact CA-SG 3.52Å; C105-C111 HydrophobicContact CB-CB 3.82Å; C105-C111 WeakPolarHBondContact CB-SG 3.34Å; C105-C111 PolarHBondContact N-SG 3.42Å; C105-C111 WeakPolarHBondContact SG-CB 3.47Å; C105-C111 CovalentContact SG-SG 2.02Å; C105-C111 PolarHBondContact SG-SG 3.11Å; C105-D328 HydrophobicContact CB-CB 4.14Å; C105-D328 WeakPolarHBondContact CB-OD1 3.39Å
106G84.6Confident70.1Confident35 Ų3574.2 Ų74.236%0.36142%0.423SS..SBendtrans-79.924.9-178.100000115.9N182 R184 C185G106-N182 PolarHBondContact N-O 3.41Å; G106-R184 WeakPolarHBondContact CA-O 3.33Å; G106-R184 PolarHBondContact N-O 3.33Å; G106-C185 WeakPolarHBondContact O-CB 3.45Å
107C88.1Confident72.5Confident8 Ų872.6 Ų72.65%0.05443%0.431CS..  trans-92.2142.4-177.9-66.50000113.6C105 D109 C185 D328 Q329C105-C107 PolarHBondContact O-N 3.43Å; C105-C107 VanDerWaalsContact O-N 3.09Å; C105-C107 VanDerWaalsContact SG-CB 3.53Å; C105-C107 PolarHBondContact SG-SG 3.02Å; C107-D109 PolarHBondContact O-N 3.24Å; C107-C185 VanDerWaalsContact CA-SG 3.52Å; C107-C185 HydrophobicContact CB-CB 3.93Å; C107-C185 WeakPolarHBondContact CB-SG 3.31Å; C107-C185 VanDerWaalsContact SG-CA 3.52Å; C107-C185 WeakPolarHBondContact SG-CB 3.41Å; C107-C185 CovalentContact SG-SG 2.03Å; C107-C185 PolarHBondContact SG-SG 3.11Å; C107-D328 WeakPolarHBondContact SG-CB 3.42Å; C107-Q329 HydrophobicContact CB-CG 4.48Å
108S84.1Confident75.3Confident87 Ų8768 Ų6861%0.60840%0.404SS*.SBendtrans-61.9-40.5176.146.20000113.2K103K103-S108 PolarHBondContact NZ-O 2.99Å
109D82.8Confident78.2Confident76 Ų7669.2 Ų69.241%0.40641%0.407SS..SBendtrans-94.6-84.6-165.7-21.4-49.4000110.4K103 C107 K187 Q329K103-D109 PolarHBondContact NZ-O 3.29Å; C107-D109 PolarHBondContact O-N 3.24Å; D109-K187 IonicContact OD2-NZ 3.46Å; D109-K187 PolarHBondContact OD2-NZ 3.5Å; D109-Q329 PolarHBondContact OD2-NE2 2.93Å; D109-Q329 PolarHBondContact OD2-OE1 2.91Å
110S85.8Confident81.1Confident55 Ų5562.5 Ų62.539%0.38538%0.377SS..  trans-136.5160.9174.755.30000110.9Q329S110-Q329 WeakPolarHBondContact O-CG 3.24Å; S110-Q329 PolarHBondContact O-NE2 3.35Å
111C90.4Very high83.5Confident3 Ų355.4 Ų55.42%0.0234%0.344CS..  trans-111.5142.5167.5-500000110.1C105 S113 D114 D328C105-C111 VanDerWaalsContact CA-SG 3.52Å; C105-C111 HydrophobicContact CB-CB 3.82Å; C105-C111 WeakPolarHBondContact CB-SG 3.34Å; C105-C111 PolarHBondContact N-SG 3.42Å; C105-C111 WeakPolarHBondContact SG-CB 3.47Å; C105-C111 CovalentContact SG-SG 2.02Å; C105-C111 PolarHBondContact SG-SG 3.11Å; C111-S113 PolarHBondContact O-N 2.82Å; C111-D114 WeakPolarHBondContact CA-OD2 3.48Å; C111-D114 VanDerWaalsContact CB-OD2 3.23Å; C111-D114 WeakPolarHBondContact CB-OD2 3.39Å; C111-D114 PolarHBondContact N-OD2 3.33Å; C111-D114 WeakPolarHBondContact O-CB 3.5Å; C111-D114 PolarHBondContact O-N 2.98Å; C111-D114 VanDerWaalsContact O-N 3.1Å; C111-D328 WeakPolarHBondContact CA-O 3.47Å
112I92Very high85.6Confident5 Ų553.2 Ų53.23%0.02634%0.336CS..THydrogen-bonded Turntrans-58.5-38.6176-74.4161.6000111.6D114 F121 Y125 L324 D328 V330 K379I112-D114 PolarHBondContact O-N 2.82Å; I112-F121 HydrophobicContact CG2-CZ 3.81Å; I112-F121 WeakPolarHBondContact O-CE1 3.39Å; I112-Y125 HydrophobicContact CG2-CE2 4.27Å; I112-L324 HydrophobicContact CD1-CD2 3.87Å; I112-L324 HydrophobicContact CG1-CD2 4.27Å; I112-L324 HydrophobicContact CG2-CB 4.15Å; I112-L324 HydrophobicContact CG2-CD2 3.96Å; I112-L324 WeakPolarHBondContact CG2-O 3.33Å; I112-D328 WeakPolarHBondContact CG1-O 3.42Å; I112-D328 PolarHBondContact N-O 3.45Å; I112-V330 HydrophobicContact CD1-CB 3.93Å; I112-V330 HydrophobicContact CD1-CG2 3.53Å; I112-K379 WeakPolarHBondContact CG1-O 3.29Å; I112-K379 PolarHBondContact O-NZ 2.67Å; I112-K379 VanDerWaalsContact O-NZ 3.15Å
113S87.4Confident87.4Confident41 Ų4152.3 Ų52.329%0.28732%0.324SS..THydrogen-bonded Turntrans-66.1-13.1176.841.50000115.4S104 C111 L115S104-S113 VanDerWaalsContact CB-OG 3.29Å; S104-S113 WeakPolarHBondContact CB-OG 3.48Å; C111-S113 PolarHBondContact O-N 2.82Å; S113-L115 PolarHBondContact O-N 3.09Å
114D87.9Confident89Confident38 Ų3849.7 Ų49.720%0.20331%0.312CS..  trans-72.787.4174.5-59.3-33.5000109.4S104 C111 I112 Q116 K379S104-D114 WeakPolarHBondContact CB-OD1 3.36Å; S104-D114 PolarHBondContact N-OD1 3.19Å; S104-D114 PolarHBondContact OG-OD1 3.44Å; C111-D114 WeakPolarHBondContact CA-OD2 3.48Å; C111-D114 VanDerWaalsContact CB-OD2 3.23Å; C111-D114 WeakPolarHBondContact CB-OD2 3.39Å; C111-D114 PolarHBondContact N-OD2 3.33Å; C111-D114 WeakPolarHBondContact O-CB 3.5Å; C111-D114 PolarHBondContact O-N 2.98Å; C111-D114 VanDerWaalsContact O-N 3.1Å; I112-D114 PolarHBondContact O-N 2.82Å; D114-Q116 PolarHBondContact O-N 2.7Å; D114-K379 PolarHBondContact O-NZ 2.91Å
115L86.1Confident89.9Confident67 Ų6748.1 Ų48.135%0.35130%0.297SS..  trans-67.5-8.4-171.8-52.1-172.2000114.8S113 F121 Y125S113-L115 PolarHBondContact O-N 3.09Å; L115-F121 HydrophobicContact CD2-CD1 4.15Å; L115-F121 HydrophobicContact CD2-CE1 3.79Å; L115-Y125 HydrophobicContact CD2-CD1 3.57Å; L115-Y125 HydrophobicContact CD2-CE1 4.17Å; L115-Y125 HydrophobicContact CD2-CG 4.3Å
116Q82.9Confident90.4Very high138 Ų13850.3 Ų50.365%0.64531%0.307SS*.THydrogen-bonded Turntrans-67.5151.3178-61.3-179.93.100111.4N101 D114 S118N101-Q116 PolarHBondContact ND2-NE2 2.77Å; N101-Q116 PolarHBondContact ND2-OE1 2.92Å; D114-Q116 PolarHBondContact O-N 2.7Å; Q116-S118 PolarHBondContact O-N 3.13Å
117G82.2Confident90.8Very high88 Ų8853 Ų5391%0.90732%0.321SS*.THydrogen-bonded Turntrans85.6-10.1176.400000116.2
118S92.4Very high90.9Very high5 Ų557.1 Ų57.14%0.03535%0.35CS..  trans-145.3100.6180-174.40000113.5Q116 F121 S122 E377Q116-S118 PolarHBondContact O-N 3.13Å; S118-F121 PolarHBondContact O-N 3.31Å; S118-F121 VanDerWaalsContact OG-CB 3.29Å; S118-F121 WeakPolarHBondContact OG-CB 3.42Å; S118-F121 PolarHBondContact OG-N 3.18Å; S118-S122 PolarHBondContact O-N 3.46Å; S118-S122 PolarHBondContact O-OG 2.96Å; S118-E377 WeakPolarHBondContact CB-OE2 3.15Å; S118-E377 PolarHBondContact OG-OE2 2.96Å
119V95.4Very high91.4Very high104 Ų10455.5 Ų55.563%0.6333%0.333SS*.Hα-helixtrans-63.7-44.1174.8-176.90000110.7F121 S122 D123V119-F121 PolarHBondContact O-N 3.38Å; V119-F121 VanDerWaalsContact O-N 3.16Å; V119-S122 WeakPolarHBondContact CA-OG 3.48Å; V119-S122 PolarHBondContact O-N 3.46Å; V119-S122 VanDerWaalsContact O-N 3.1Å; V119-S122 PolarHBondContact O-OG 3.42Å; V119-D123 PolarHBondContact O-N 2.84Å
120W96.8Very high91.8Very high41 Ų4155.1 Ų55.116%0.15533%0.328CS..Hα-helixtrans-56-36.1178176.790.1000112.5R124 W305 V370 R373 L374 E377W120-R124 VanDerWaalsContact CD1-NH1 3.27Å; W120-R124 VanDerWaalsContact NE1-CZ 3.3Å; W120-R124 WeakPolarHBondContact O-CD 3.28Å; W120-R124 WeakPolarHBondContact O-CG 3.47Å; W120-R124 PolarHBondContact O-NH1 3.09Å; W120-W305 HydrophobicContact CH2-CZ3 4.18Å; W120-W305 HydrophobicContact CZ3-CZ3 4.28Å; W120-V370 HydrophobicContact CH2-CG1 4.21Å; W120-V370 HydrophobicContact CZ2-CG1 4.45Å; W120-R373 HydrophobicContact CD2-CG 3.57Å; W120-R373 HydrophobicContact CE3-CG 3.71Å; W120-R373 HydrophobicContact CG-CG 4.24Å; W120-R373 HydrophobicContact CH2-CB 3.83Å; W120-R373 HydrophobicContact CH2-CG 3.82Å; W120-R373 HydrophobicContact CZ2-CB 3.87Å; W120-R373 HydrophobicContact CZ2-CG 3.69Å; W120-R373 HydrophobicContact CZ3-CB 4.19Å; W120-R373 HydrophobicContact CZ3-CG 3.83Å; W120-L374 HydrophobicContact CH2-CG 4.09Å; W120-L374 HydrophobicContact CZ3-CD2 4.12Å; W120-L374 HydrophobicContact CZ3-CG 4.07Å; W120-E377 HydrophobicContact CE3-CG 4.01Å
121F97.3Very high92.2Very high0 Ų053 Ų530%031%0.314CS..Hα-helixtrans-77.5-43.6174.9-175.9-94.2000112.7I112 L115 S118 V119 D123 R124 Y125 W305 L324 L374 K379I112-F121 HydrophobicContact CG2-CZ 3.81Å; I112-F121 WeakPolarHBondContact O-CE1 3.39Å; L115-F121 HydrophobicContact CD2-CD1 4.15Å; L115-F121 HydrophobicContact CD2-CE1 3.79Å; S118-F121 PolarHBondContact O-N 3.31Å; S118-F121 VanDerWaalsContact OG-CB 3.29Å; S118-F121 WeakPolarHBondContact OG-CB 3.42Å; S118-F121 PolarHBondContact OG-N 3.18Å; V119-F121 PolarHBondContact O-N 3.38Å; V119-F121 VanDerWaalsContact O-N 3.16Å; F121-D123 VanDerWaalsContact C-N 3.27Å; F121-D123 PolarHBondContact O-N 2.97Å; F121-R124 PolarHBondContact O-N 3.36Å; F121-R124 VanDerWaalsContact O-N 3.07Å; F121-Y125 HydrophobicContact CD1-CG 4.45Å; F121-Y125 VanDerWaalsContact CE1-CB 3.49Å; F121-Y125 HydrophobicContact CE1-CD1 4.12Å; F121-Y125 AromaticContact CE1-CD2 3.94Å; F121-Y125 HydrophobicContact CE1-CD2 3.94Å; F121-Y125 AromaticContact CE1-CG 3.57Å; F121-Y125 HydrophobicContact CE1-CG 3.57Å; F121-Y125 HydrophobicContact CE2-CD2 4.26Å; F121-Y125 HydrophobicContact CZ-CD1 4.47Å; F121-Y125 AromaticContact CZ-CD2 3.48Å; F121-Y125 HydrophobicContact CZ-CD2 3.48Å; F121-Y125 VanDerWaalsContact CZ-CD2 3.48Å; F121-Y125 HydrophobicContact CZ-CE2 4.21Å; F121-Y125 AromaticContact CZ-CG 3.63Å; F121-Y125 HydrophobicContact CZ-CG 3.63Å; F121-Y125 WeakPolarHBondContact O-CB 3.4Å; F121-Y125 PolarHBondContact O-N 3.46Å; F121-W305 AromaticContact CD2-CH2 3.72Å; F121-W305 HydrophobicContact CD2-CH2 3.72Å; F121-W305 HydrophobicContact CD2-CZ3 4.29Å; F121-W305 AromaticContact CE2-CH2 3.65Å; F121-W305 HydrophobicContact CE2-CH2 3.65Å; F121-W305 HydrophobicContact CE2-CZ3 4.45Å; F121-W305 HydrophobicContact CZ-CH2 4.48Å; F121-L324 HydrophobicContact CE2-CD1 4.23Å; F121-L374 HydrophobicContact CD2-CD2 3.84Å; F121-L374 HydrophobicContact CE2-CD2 3.84Å; F121-K379 HydrophobicContact CB-CG 4.42Å; F121-K379 HydrophobicContact CD1-CD 4.02Å; F121-K379 HydrophobicContact CD1-CG 4.42Å; F121-K379 HydrophobicContact CD2-CB 4.05Å; F121-K379 HydrophobicContact CD2-CD 3.94Å; F121-K379 HydrophobicContact CD2-CG 3.53Å; F121-K379 HydrophobicContact CE1-CD 3.98Å; F121-K379 HydrophobicContact CE2-CB 3.92Å; F121-K379 HydrophobicContact CE2-CD 3.87Å; F121-K379 HydrophobicContact CE2-CG 3.75Å; F121-K379 HydrophobicContact CG-CD 4Å; F121-K379 HydrophobicContact CG-CG 3.88Å; F121-K379 HydrophobicContact CZ-CD 3.91Å; F121-K379 HydrophobicContact CZ-CG 4.32Å
122S95.8Very high92.4Very high45 Ų4554.6 Ų54.632%0.31532%0.321SS..Hα-helixtrans-61.8-34.4-178.559.90000113.1S118 V119 R124S118-S122 PolarHBondContact O-N 3.46Å; S118-S122 PolarHBondContact O-OG 2.96Å; V119-S122 WeakPolarHBondContact CA-OG 3.48Å; V119-S122 PolarHBondContact O-N 3.46Å; V119-S122 VanDerWaalsContact O-N 3.1Å; V119-S122 PolarHBondContact O-OG 3.42Å; S122-R124 PolarHBondContact O-N 3.49Å
123D96.7Very high92.5Very high102 Ų10254.4 Ų54.455%0.54532%0.32SS..THydrogen-bonded Turntrans-69.1-18.5178.5-59-12.9000112.7V119 F121V119-D123 PolarHBondContact O-N 2.84Å; F121-D123 VanDerWaalsContact C-N 3.27Å; F121-D123 PolarHBondContact O-N 2.97Å
124R97.9Very high92.8Very high39 Ų3954.8 Ų54.815%0.14732%0.318CS..THydrogen-bonded Turntrans-109.8-33-174.1-60.6179.4171.458.46.4112.4W120 F121 S122 I126 Y300 H304 W305 E307W120-R124 VanDerWaalsContact CD1-NH1 3.27Å; W120-R124 VanDerWaalsContact NE1-CZ 3.3Å; W120-R124 WeakPolarHBondContact O-CD 3.28Å; W120-R124 WeakPolarHBondContact O-CG 3.47Å; W120-R124 PolarHBondContact O-NH1 3.09Å; F121-R124 PolarHBondContact O-N 3.36Å; F121-R124 VanDerWaalsContact O-N 3.07Å; S122-R124 PolarHBondContact O-N 3.49Å; R124-I126 PolarHBondContact O-N 2.59Å; R124-Y300 WeakPolarHBondContact O-CE2 3.44Å; R124-Y300 PolarHBondContact O-OH 2.7Å; R124-H304 HydrophobicContact CB-CB 4.44Å; R124-H304 WeakPolarHBondContact CB-O 3.32Å; R124-H304 WeakPolarHBondContact CD-O 3.39Å; R124-H304 WeakPolarHBondContact CG-O 3.39Å; R124-W305 HydrophobicContact CB-CD2 4.21Å; R124-W305 HydrophobicContact CB-CE3 4.26Å; R124-W305 HydrophobicContact CB-CH2 3.98Å; R124-W305 HydrophobicContact CB-CZ2 3.92Å; R124-W305 HydrophobicContact CB-CZ3 4.14Å; R124-W305 PolarHBondContact O-NE1 2.57Å; R124-E307 IonicContact CZ-OE1 3.36Å; R124-E307 IonicContact NE-OE1 3.19Å; R124-E307 PolarHBondContact NE-OE1 3.13Å; R124-E307 IonicContact NH2-OE1 2.69Å; R124-E307 PolarHBondContact NH2-OE1 3.23Å
125Y97.3Very high92.8Very high24 Ų2455.1 Ų55.19%0.09433%0.326CS..  trans-86.3103.8-176.8-172.1-89.9000112.8I112 L115 F121 Y300 W305 L324 H325I112-Y125 HydrophobicContact CG2-CE2 4.27Å; L115-Y125 HydrophobicContact CD2-CD1 3.57Å; L115-Y125 HydrophobicContact CD2-CE1 4.17Å; L115-Y125 HydrophobicContact CD2-CG 4.3Å; F121-Y125 HydrophobicContact CD1-CG 4.45Å; F121-Y125 VanDerWaalsContact CE1-CB 3.49Å; F121-Y125 HydrophobicContact CE1-CD1 4.12Å; F121-Y125 AromaticContact CE1-CD2 3.94Å; F121-Y125 HydrophobicContact CE1-CD2 3.94Å; F121-Y125 AromaticContact CE1-CG 3.57Å; F121-Y125 HydrophobicContact CE1-CG 3.57Å; F121-Y125 HydrophobicContact CE2-CD2 4.26Å; F121-Y125 HydrophobicContact CZ-CD1 4.47Å; F121-Y125 AromaticContact CZ-CD2 3.48Å; F121-Y125 HydrophobicContact CZ-CD2 3.48Å; F121-Y125 VanDerWaalsContact CZ-CD2 3.48Å; F121-Y125 HydrophobicContact CZ-CE2 4.21Å; F121-Y125 AromaticContact CZ-CG 3.63Å; F121-Y125 HydrophobicContact CZ-CG 3.63Å; F121-Y125 WeakPolarHBondContact O-CB 3.4Å; F121-Y125 PolarHBondContact O-N 3.46Å; Y125-Y300 WeakPolarHBondContact CA-OH 3.45Å; Y125-W305 HydrophobicContact CD2-CZ2 4.21Å; Y125-L324 HydrophobicContact CE2-CB 4.27Å; Y125-L324 PolarHBondContact OH-O 2.98Å; Y125-H325 AromaticContact CD2-CE1 3.76Å; Y125-H325 AromaticContact CD2-NE2 3.6Å; Y125-H325 AromaticContact CE2-CD2 3.85Å; Y125-H325 AromaticContact CE2-CE1 3.39Å; Y125-H325 WeakPolarHBondContact CE2-CE1 3.43Å; Y125-H325 AromaticContact CE2-ND1 3.76Å; Y125-H325 AromaticContact CE2-NE2 3.47Å; Y125-H325 WeakPolarHBondContact CE2-NE2 3.13Å; Y125-H325 AromaticContact CZ-CE1 3.69Å; Y125-H325 AromaticContact CZ-ND1 3.83Å
126I95.4Very high92.9Very high55 Ų5559.9 Ų59.928%0.28234%0.344SS..  trans-100.797.2178-61.6178.5000109R124 S128 Q129 Y300 H325R124-I126 PolarHBondContact O-N 2.59Å; I126-S128 WeakPolarHBondContact CG2-OG 3.33Å; I126-S128 PolarHBondContact O-N 2.8Å; I126-Q129 HydrophobicContact CB-CG 3.91Å; I126-Q129 HydrophobicContact CG2-CG 4.03Å; I126-Q129 WeakPolarHBondContact O-CB 3.41Å; I126-Q129 VanDerWaalsContact O-CG 3.24Å; I126-Q129 WeakPolarHBondContact O-CG 3.41Å; I126-Q129 PolarHBondContact O-N 3.15Å; I126-Y300 HydrophobicContact CB-CE2 3.91Å; I126-Y300 HydrophobicContact CD1-CD2 4.27Å; I126-Y300 HydrophobicContact CD1-CE2 3.94Å; I126-Y300 HydrophobicContact CG1-CE2 3.93Å; I126-Y300 PolarHBondContact N-OH 3.2Å; I126-Y300 VanDerWaalsContact N-OH 3.16Å; I126-H325 PolarHBondContact O-CE1 2.97Å
127S91.9Very high93Very high92 Ų9260.6 Ų60.664%0.64335%0.352SS*.THydrogen-bonded Turntrans-60-12.7-173.458.90000116.1
128S91.6Very high93.3Very high95 Ų9557.8 Ų57.866%0.66432%0.316SS*.THydrogen-bonded Turntrans-90.21177.259.20000114.3I126I126-S128 WeakPolarHBondContact CG2-OG 3.33Å; I126-S128 PolarHBondContact O-N 2.8Å
129Q92.8Very high93.1Very high52 Ų5265.4 Ų65.424%0.24335%0.349CS..  trans-65.4144178-74-68.9-14.600112.2I126 P131 F297 Y300I126-Q129 HydrophobicContact CB-CG 3.91Å; I126-Q129 HydrophobicContact CG2-CG 4.03Å; I126-Q129 WeakPolarHBondContact O-CB 3.41Å; I126-Q129 VanDerWaalsContact O-CG 3.24Å; I126-Q129 WeakPolarHBondContact O-CG 3.41Å; I126-Q129 PolarHBondContact O-N 3.15Å; Q129-P131 VanDerWaalsContact O-CD 3.28Å; Q129-P131 WeakPolarHBondContact O-CD 3.31Å; Q129-F297 HydrophobicContact CB-CD2 4.18Å; Q129-F297 HydrophobicContact CB-CE2 4.07Å; Q129-Y300 HydrophobicContact CB-CD1 4.4Å; Q129-Y300 HydrophobicContact CB-CE1 4.37Å; Q129-Y300 HydrophobicContact CG-CD1 3.77Å; Q129-Y300 HydrophobicContact CG-CD2 3.88Å; Q129-Y300 HydrophobicContact CG-CE1 3.82Å; Q129-Y300 HydrophobicContact CG-CE2 3.97Å; Q129-Y300 HydrophobicContact CG-CG 3.8Å
130Q91.4Very high93Very high68 Ų6863 Ų6332%0.31833%0.33SS..  trans-113.289.5-178.6-68-177.6-20.200109.1I132 N294Q130-I132 PolarHBondContact O-N 2.99Å; Q130-N294 WeakPolarHBondContact O-CB 2.99Å; Q130-N294 PolarHBondContact O-ND2 2.91Å
131P94.7Very high92.9Very high12 Ų1265.2 Ų65.28%0.07835%0.345CS..  trans-68.8-21.3-175.326.6-35.3000113.6Q129 V293 N294 F297 F322 H325 T326Q129-P131 VanDerWaalsContact O-CD 3.28Å; Q129-P131 WeakPolarHBondContact O-CD 3.31Å; P131-V293 CarbonylContact O-C 3.52Å; P131-V293 VanDerWaalsContact O-CA 3.29Å; P131-V293 WeakPolarHBondContact O-CA 3.36Å; P131-V293 WeakPolarHBondContact O-CG1 2.96Å; P131-N294 PolarHBondContact O-N 2.98Å; P131-F297 HydrophobicContact CB-CD1 4.22Å; P131-F297 HydrophobicContact CB-CD2 3.97Å; P131-F297 HydrophobicContact CB-CE1 4.05Å; P131-F297 HydrophobicContact CB-CE2 3.78Å; P131-F297 HydrophobicContact CB-CG 4.18Å; P131-F297 HydrophobicContact CB-CZ 3.82Å; P131-F322 HydrophobicContact CB-CD2 3.74Å; P131-F322 HydrophobicContact CB-CE2 3.97Å; P131-F322 HydrophobicContact CB-CG 4.48Å; P131-H325 HydrophobicContact CG-CB 4.07Å; P131-T326 HydrophobicContact CG-CG2 3.81Å
132I95.2Very high92.8Very high35 Ų3569.8 Ų69.818%0.17937%0.374CS..BIsolated β-bridgetrans-103.2137.8-179.5-60.4171.1000110Q130 H134 P174 L291 F322Q130-I132 PolarHBondContact O-N 2.99Å; I132-H134 PolarHBondContact O-CD2 3.45Å; I132-P174 HydrophobicContact CG2-CB 4.08Å; I132-P174 HydrophobicContact CG2-CG 3.88Å; I132-L291 HydrophobicContact CD1-CD1 4.17Å; I132-L291 HydrophobicContact CD1-CD2 4.44Å; I132-L291 HydrophobicContact CG2-CD2 4.44Å; I132-F322 HydrophobicContact CD1-CZ 4.11Å; I132-F322 HydrophobicContact CG1-CE2 3.8Å; I132-F322 HydrophobicContact CG1-CZ 3.87Å
133L94.5Very high92.8Very high1 Ų173.5 Ų73.51%0.00539%0.391CS..PPolyproline II helixtrans-81.3120.4174.2-171.564.9000110.4F140 M164 M167 L260 V292L133-F140 HydrophobicContact CD1-CE1 3.71Å; L133-F140 HydrophobicContact CD1-CZ 3.68Å; L133-M164 HydrophobicContact CD1-CE 3.63Å; L133-M164 HydrophobicContact CD1-SD 4.04Å; L133-M164 HydrophobicContact CD2-CE 4.1Å; L133-M164 HydrophobicContact CD2-CG 4.19Å; L133-M164 HydrophobicContact CD2-SD 4.14Å; L133-M164 HydrophobicContact CG-CE 3.8Å; L133-M164 HydrophobicContact CG-SD 4.39Å; L133-M167 HydrophobicContact CD2-CE 4.15Å; L133-L260 HydrophobicContact CD2-CD2 4.48Å; L133-V292 HydrophobicContact CB-CB 4.09Å; L133-V292 HydrophobicContact CB-CG1 4.15Å; L133-V292 WeakPolarHBondContact CB-O 3.49Å; L133-V292 HydrophobicContact CD2-CB 4.27Å; L133-V292 HydrophobicContact CD2-CG1 3.71Å; L133-V292 PolarHBondContact N-O 3.16Å
134H91.8Very high92.8Very high49 Ų4969 Ų6923%0.22737%0.367CS..PPolyproline II helixtrans-96164.5177.4-65.5-89.8000111.7I132 K136 N138 M164I132-H134 PolarHBondContact O-CD2 3.45Å; H134-K136 VanDerWaalsContact C-N 3.29Å; H134-K136 WeakPolarHBondContact CB-O 3.47Å; H134-K136 PolarHBondContact O-N 3.43Å; H134-N138 PolarHBondContact N-OD1 3.22Å; H134-N138 PolarHBondContact O-ND2 3.3Å; H134-N138 PolarHBondContact O-OD1 3.45Å; H134-M164 VanDerWaalsContact O-CE 3.27Å; H134-M164 WeakPolarHBondContact O-CE 3.43Å
135A89.9Confident92.7Very high46 Ų4668.5 Ų68.538%0.3837%0.368SS..SBendtrans-73.4-18.9177.100000114.1F168 P173A135-F168 HydrophobicContact CB-CB 4.26Å; A135-F168 HydrophobicContact CB-CD1 4.06Å; A135-F168 HydrophobicContact CB-CD2 3.79Å; A135-F168 HydrophobicContact CB-CE1 4.35Å; A135-F168 HydrophobicContact CB-CE2 4.1Å; A135-F168 HydrophobicContact CB-CG 3.77Å; A135-F168 HydrophobicContact CB-CZ 4.37Å; A135-P173 HydrophobicContact CB-CB 4.02Å
136K86.9Confident92.6Very high166 Ų16670 Ų7072%0.72239%0.385SS*.SBendtrans-148.1167.1179.3-63.6-174.4-178.91790109.7H134 N138H134-K136 VanDerWaalsContact C-N 3.29Å; H134-K136 WeakPolarHBondContact CB-O 3.47Å; H134-K136 PolarHBondContact O-N 3.43Å; K136-N138 PolarHBondContact O-N 3.03Å; K136-N138 VanDerWaalsContact O-N 3.12Å
137N85.8Confident92.6Very high154 Ų15469.5 Ų69.582%0.82438%0.38SS*.  trans61.416.2169.9-54.4-4.4000116.3
138N87.8Confident92.9Very high29 Ų2965.2 Ų65.216%0.15535%0.349CS..  trans-63136.1172.1-52.8-79.7000110.7H134 K136 F140 M164H134-N138 PolarHBondContact N-OD1 3.22Å; H134-N138 PolarHBondContact O-ND2 3.3Å; H134-N138 PolarHBondContact O-OD1 3.45Å; K136-N138 PolarHBondContact O-N 3.03Å; K136-N138 VanDerWaalsContact O-N 3.12Å; N138-F140 HydrophobicContact CB-CD1 4.2Å; N138-F140 HydrophobicContact CB-CE1 3.64Å; N138-F140 HydrophobicContact CB-CE2 4Å; N138-F140 HydrophobicContact CB-CZ 3.53Å; N138-F140 PolarHBondContact O-N 3.46Å; N138-M164 WeakPolarHBondContact ND2-CE 3.46Å
139K88.2Confident93Very high165 Ų16564.7 Ų64.772%0.71734%0.339SS*.  trans-92.495.6169.4-64.9179.3175.9178.70108.9
140F93Very high93Very high54 Ų5465.6 Ų65.624%0.23735%0.351CS..  trans-89.7111.8169.1-55.7-46.1000109.1L133 N138 L145 L160 M164 N294 V296L133-F140 HydrophobicContact CD1-CE1 3.71Å; L133-F140 HydrophobicContact CD1-CZ 3.68Å; N138-F140 HydrophobicContact CB-CD1 4.2Å; N138-F140 HydrophobicContact CB-CE1 3.64Å; N138-F140 HydrophobicContact CB-CE2 4Å; N138-F140 HydrophobicContact CB-CZ 3.53Å; N138-F140 PolarHBondContact O-N 3.46Å; F140-L145 HydrophobicContact CB-CD2 4.28Å; F140-L160 HydrophobicContact CD2-CD2 4.28Å; F140-L160 HydrophobicContact CE1-CD2 4.23Å; F140-L160 HydrophobicContact CE2-CD2 3.81Å; F140-L160 HydrophobicContact CZ-CD2 3.79Å; F140-M164 HydrophobicContact CE2-SD 4.22Å; F140-M164 HydrophobicContact CZ-CE 4.09Å; F140-M164 HydrophobicContact CZ-SD 3.83Å; F140-N294 WeakPolarHBondContact CE1-OD1 3.42Å; F140-V296 HydrophobicContact CB-CG1 4.29Å; F140-V296 HydrophobicContact CD1-CG1 4.14Å; F140-V296 HydrophobicContact CD1-CG2 4.48Å
141D94.4Very high93Very high87 Ų8762.5 Ų62.547%0.46534%0.337SS..  trans-63.9130.6162.5174.3-93.4000109.3D143 A144 L145D141-D143 PolarHBondContact O-N 3.48Å; D141-D143 PolarHBondContact OD1-N 3.1Å; D141-D143 VanDerWaalsContact OD1-N 3.14Å; D141-A144 HydrophobicContact CB-CB 3.85Å; D141-A144 PolarHBondContact O-N 3.39Å; D141-A144 WeakPolarHBondContact OD1-CB 3.36Å; D141-A144 PolarHBondContact OD1-N 3.4Å; D141-L145 WeakPolarHBondContact O-CB 3.38Å; D141-L145 PolarHBondContact O-N 3.23Å
142P95.4Very high92.7Very high95 Ų9563.9 Ų63.962%0.61734%0.342SS*.Hα-helixtrans-62.6-41.2-174.1-2535.1000113.9L145 A146P142-L145 PolarHBondContact O-N 3.34Å; P142-A146 WeakPolarHBondContact O-CB 3.31Å; P142-A146 PolarHBondContact O-N 3.46Å
143D96.3Very high91.8Very high123 Ų12373.6 Ų73.666%0.65838%0.376SS*.Hα-helixtrans-72.8-35.3-178.9-70.2-19.4000110.7D141 A146 W147D141-D143 PolarHBondContact O-N 3.48Å; D141-D143 PolarHBondContact OD1-N 3.1Å; D141-D143 VanDerWaalsContact OD1-N 3.14Å; D143-A146 PolarHBondContact O-N 3.01Å; D143-W147 VanDerWaalsContact O-CB 3.3Å; D143-W147 WeakPolarHBondContact O-CB 3.41Å; D143-W147 PolarHBondContact O-N 2.75Å
144A96.9Very high90.5Very high7 Ų775.2 Ų75.26%0.05839%0.387CS..Hα-helixtrans-64.7-40.7171.900000113D141 W148 V296 K299D141-A144 HydrophobicContact CB-CB 3.85Å; D141-A144 PolarHBondContact O-N 3.39Å; D141-A144 WeakPolarHBondContact OD1-CB 3.36Å; D141-A144 PolarHBondContact OD1-N 3.4Å; A144-W148 WeakPolarHBondContact O-CB 3.36Å; A144-W148 PolarHBondContact O-N 3.15Å; A144-V296 HydrophobicContact CB-CB 3.73Å; A144-V296 HydrophobicContact CB-CG1 3.64Å; A144-K299 HydrophobicContact CB-CB 4.07Å; A144-K299 HydrophobicContact CB-CD 3.93Å
145L95.5Very high89.1Confident29 Ų2977.1 Ų77.115%0.15242%0.421CS..Hα-helixtrans-69.2-40.7175.2-18057.1000111.6F140 D141 P142 W148 L149 L160 V296F140-L145 HydrophobicContact CB-CD2 4.28Å; D141-L145 WeakPolarHBondContact O-CB 3.38Å; D141-L145 PolarHBondContact O-N 3.23Å; P142-L145 PolarHBondContact O-N 3.34Å; L145-W148 HydrophobicContact CD1-CE3 4.03Å; L145-W148 PolarHBondContact O-N 2.77Å; L145-L149 HydrophobicContact CD1-CD1 4.36Å; L145-L149 HydrophobicContact CD1-CG 4.32Å; L145-L149 HydrophobicContact CG-CD1 4.23Å; L145-L149 WeakPolarHBondContact O-CB 3.21Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 3.24Å; L145-L160 HydrophobicContact CD1-CD2 3.6Å; L145-L160 HydrophobicContact CD2-CD2 4.37Å; L145-V296 HydrophobicContact CB-CG1 4.37Å
146A95.3Very high88.2Confident56 Ų5678.3 Ų78.346%0.46342%0.421SS..Hα-helixtrans-64.5-43.3176.600000112.1P142 D143 L149 S150P142-A146 WeakPolarHBondContact O-CB 3.31Å; P142-A146 PolarHBondContact O-N 3.46Å; D143-A146 PolarHBondContact O-N 3.01Å; A146-L149 PolarHBondContact O-N 3.03Å; A146-S150 PolarHBondContact O-N 2.98Å; A146-S150 VanDerWaalsContact O-N 3.11Å
147W96.4Very high87.8Confident45 Ų4574 Ų7417%0.1742%0.424CS..Hα-helixtrans-59.7-46.5172.2175.389.5000111.5D143 L149 S150 L151 F298 K299 H302D143-W147 VanDerWaalsContact O-CB 3.3Å; D143-W147 WeakPolarHBondContact O-CB 3.41Å; D143-W147 PolarHBondContact O-N 2.75Å; W147-L149 PolarHBondContact O-N 3.38Å; W147-S150 WeakPolarHBondContact O-CA 3Å; W147-S150 WeakPolarHBondContact O-CB 3.21Å; W147-S150 PolarHBondContact O-N 3.14Å; W147-S150 PolarHBondContact O-OG 3.13Å; W147-L151 HydrophobicContact CD2-CD2 4.24Å; W147-L151 HydrophobicContact CE3-CD1 4.34Å; W147-L151 HydrophobicContact CE3-CD2 4.35Å; W147-L151 HydrophobicContact CE3-CG 4.42Å; W147-L151 HydrophobicContact CH2-CD1 3.98Å; W147-L151 HydrophobicContact CH2-CD2 3.85Å; W147-L151 HydrophobicContact CH2-CG 4.39Å; W147-L151 HydrophobicContact CZ2-CD2 3.68Å; W147-L151 HydrophobicContact CZ3-CD1 3.8Å; W147-L151 HydrophobicContact CZ3-CD2 4.17Å; W147-L151 HydrophobicContact CZ3-CG 4.28Å; W147-L151 PolarHBondContact O-N 3.24Å; W147-F298 HydrophobicContact CH2-CB 4.41Å; W147-F298 HydrophobicContact CZ3-CB 3.9Å; W147-K299 HydrophobicContact CB-CD 3.77Å; W147-K299 HydrophobicContact CD2-CB 4.11Å; W147-K299 HydrophobicContact CD2-CD 3.92Å; W147-K299 HydrophobicContact CD2-CG 3.78Å; W147-K299 HydrophobicContact CE3-CB 3.51Å; W147-K299 HydrophobicContact CE3-CD 4.12Å; W147-K299 HydrophobicContact CE3-CG 3.73Å; W147-K299 HydrophobicContact CG-CD 3.78Å; W147-K299 HydrophobicContact CG-CG 4.17Å; W147-K299 HydrophobicContact CH2-CB 4.46Å; W147-K299 HydrophobicContact CZ3-CB 3.71Å; W147-K299 HydrophobicContact CZ3-CG 4.17Å; W147-H302 AromaticContact CE2-ND1 3.89Å; W147-H302 HydrophobicContact CH2-CB 3.66Å; W147-H302 AromaticContact CH2-CG 3.88Å; W147-H302 HydrophobicContact CZ2-CB 3.69Å; W147-H302 AromaticContact CZ2-CD2 3.59Å; W147-H302 AromaticContact CZ2-CE1 3.89Å; W147-H302 AromaticContact CZ2-CG 3.35Å; W147-H302 AromaticContact CZ2-ND1 3.59Å; W147-H302 AromaticContact CZ2-NE2 3.89Å; W147-H302 AromaticContact NE1-CE1 3.83Å; W147-H302 AromaticContact NE1-ND1 3.98Å
148W96.5Very high87.8Confident1 Ų169.4 Ų69.40%0.00440%0.397CS..Hα-helixtrans-61.3-44.2178.4177.586.3000112.1A144 L145 S150 L151 P254 L257 L260 P295A144-W148 WeakPolarHBondContact O-CB 3.36Å; A144-W148 PolarHBondContact O-N 3.15Å; L145-W148 HydrophobicContact CD1-CE3 4.03Å; L145-W148 PolarHBondContact O-N 2.77Å; W148-S150 PolarHBondContact O-N 3.05Å; W148-L151 WeakPolarHBondContact O-CB 3.48Å; W148-L151 WeakPolarHBondContact O-CG 3.44Å; W148-L151 PolarHBondContact O-N 2.96Å; W148-L151 VanDerWaalsContact O-N 3.11Å; W148-P254 HydrophobicContact CZ2-CB 4.07Å; W148-P254 HydrophobicContact CZ2-CG 4.44Å; W148-P254 PolarHBondContact NE1-O 3.31Å; W148-L257 HydrophobicContact CH2-CB 4.37Å; W148-L260 HydrophobicContact CH2-CD1 4.39Å; W148-P295 HydrophobicContact CB-CB 4.46Å; W148-P295 HydrophobicContact CD2-CB 3.62Å; W148-P295 HydrophobicContact CD2-CG 4.28Å; W148-P295 HydrophobicContact CE3-CB 4.01Å; W148-P295 HydrophobicContact CE3-CG 4.48Å; W148-P295 HydrophobicContact CG-CB 3.79Å; W148-P295 HydrophobicContact CH2-CG 4.29Å; W148-P295 HydrophobicContact CZ2-CB 4.31Å; W148-P295 HydrophobicContact CZ2-CG 4.1Å; W148-P295 HydrophobicContact CZ3-CB 4.49Å; W148-P295 HydrophobicContact CZ3-CG 4.48Å
149L94.3Very high88Confident85 Ų8570.6 Ų70.645%0.44541%0.405SS..Hα-helixtrans-61.5-24.5174.3-72.1169.6000113L145 A146 W147L145-L149 HydrophobicContact CD1-CD1 4.36Å; L145-L149 HydrophobicContact CD1-CG 4.32Å; L145-L149 HydrophobicContact CG-CD1 4.23Å; L145-L149 WeakPolarHBondContact O-CB 3.21Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 3.24Å; A146-L149 PolarHBondContact O-N 3.03Å; W147-L149 PolarHBondContact O-N 3.38Å
150S93.4Very high88.2Confident71 Ų7163 Ų6350%0.49737%0.372SS..Hα-helixtrans-78.7-21.3176.586.90000114.2A146 W147 W148 Q152A146-S150 PolarHBondContact O-N 2.98Å; A146-S150 VanDerWaalsContact O-N 3.11Å; W147-S150 WeakPolarHBondContact O-CA 3Å; W147-S150 WeakPolarHBondContact O-CB 3.21Å; W147-S150 PolarHBondContact O-N 3.14Å; W147-S150 PolarHBondContact O-OG 3.13Å; W148-S150 PolarHBondContact O-N 3.05Å; S150-Q152 PolarHBondContact O-N 2.84Å
151L91.6Very high88.2Confident3 Ų365.4 Ų65.42%0.01639%0.385CS..Hα-helixtrans-57.4-51.4-173.2-65.7-177.2000112.3W147 W148 R311 Y312W147-L151 HydrophobicContact CD2-CD2 4.24Å; W147-L151 HydrophobicContact CE3-CD1 4.34Å; W147-L151 HydrophobicContact CE3-CD2 4.35Å; W147-L151 HydrophobicContact CE3-CG 4.42Å; W147-L151 HydrophobicContact CH2-CD1 3.98Å; W147-L151 HydrophobicContact CH2-CD2 3.85Å; W147-L151 HydrophobicContact CH2-CG 4.39Å; W147-L151 HydrophobicContact CZ2-CD2 3.68Å; W147-L151 HydrophobicContact CZ3-CD1 3.8Å; W147-L151 HydrophobicContact CZ3-CD2 4.17Å; W147-L151 HydrophobicContact CZ3-CG 4.28Å; W147-L151 PolarHBondContact O-N 3.24Å; W148-L151 WeakPolarHBondContact O-CB 3.48Å; W148-L151 WeakPolarHBondContact O-CG 3.44Å; W148-L151 PolarHBondContact O-N 2.96Å; W148-L151 VanDerWaalsContact O-N 3.11Å; L151-R311 PolarHBondContact O-NE 3.35Å; L151-R311 PolarHBondContact O-NH2 2.71Å; L151-Y312 HydrophobicContact CD1-CG 4.48Å; L151-Y312 HydrophobicContact CD2-CD1 3.93Å; L151-Y312 HydrophobicContact CD2-CG 4.33Å
152Q87.1Confident88.2Confident40 Ų4067.5 Ų67.519%0.18739%0.39CS..SBendtrans-143108.3177.5-67.8-179.726.700109S150 S154 K256 Y312S150-Q152 PolarHBondContact O-N 2.84Å; Q152-S154 PolarHBondContact O-N 2.87Å; Q152-K256 HydrophobicContact CB-CB 3.93Å; Q152-K256 HydrophobicContact CB-CD 4.11Å; Q152-K256 HydrophobicContact CB-CG 4.37Å; Q152-K256 WeakPolarHBondContact O-CB 3.47Å; Q152-Y312 PolarHBondContact NE2-OH 2.95Å
153R76.9Confident88.2Confident240 Ų24063 Ų6391%0.90636%0.36SS*.  trans-57.1126.5-175.7-69.5-176.7177.9179.5-1111.9
154S68.2Low88.2Confident34 Ų3457.7 Ų57.724%0.23833%0.332CS..  trans-98118171.7-61.60000110Q152 N156 L257 M258Q152-S154 PolarHBondContact O-N 2.87Å; S154-N156 VanDerWaalsContact C-N 3.32Å; S154-N156 PolarHBondContact O-N 3.4Å; S154-L257 PolarHBondContact OG-N 3.35Å; S154-M258 PolarHBondContact OG-N 3.45Å
155G62.5Low88.1Confident90 Ų9060 Ų6093%0.92835%0.351SS*.THydrogen-bonded Turntrans-81.98.9-164.500000117.2
156N70.9Confident88.1Confident71 Ų7163.2 Ų63.238%0.3836%0.364SS..THydrogen-bonded Turntrans-112.43-166.868.4-0.5000115.7S154 Q158 E261S154-N156 VanDerWaalsContact C-N 3.32Å; S154-N156 PolarHBondContact O-N 3.4Å; N156-Q158 PolarHBondContact ND2-NE2 3.03Å; N156-Q158 VanDerWaalsContact ND2-NE2 3.2Å; N156-Q158 PolarHBondContact O-N 2.75Å; N156-Q158 VanDerWaalsContact O-N 3.13Å; N156-Q158 PolarHBondContact OD1-N 2.88Å; N156-E261 PolarHBondContact ND2-OE1 3.47Å; N156-E261 PolarHBondContact ND2-OE2 2.98Å
157G77.1Confident88.2Confident76 Ų7660.5 Ų60.578%0.78434%0.342SS*.  trans64.616173.300000115.9
158Q86.9Confident88.2Confident56 Ų5660 Ų6026%0.26234%0.341SS..  trans-77.7159.3172.9-73.5-173.479.700111.8N156 V163 L257 E261N156-Q158 PolarHBondContact ND2-NE2 3.03Å; N156-Q158 VanDerWaalsContact ND2-NE2 3.2Å; N156-Q158 PolarHBondContact O-N 2.75Å; N156-Q158 VanDerWaalsContact O-N 3.13Å; N156-Q158 PolarHBondContact OD1-N 2.88Å; Q158-V163 HydrophobicContact CB-CG2 4.01Å; Q158-L257 HydrophobicContact CB-CD2 3.96Å; Q158-L257 WeakPolarHBondContact O-CD2 3.17Å; Q158-E261 PolarHBondContact NE2-OE1 3.09Å
159T91.4Very high88.2Confident54 Ų5467.7 Ų67.733%0.33138%0.377SS..  trans-103.6158.3177.474.30000110.3E161 K162 V163T159-E161 VanDerWaalsContact C-N 3.31Å; T159-E161 WeakPolarHBondContact CB-OE2 3.3Å; T159-E161 PolarHBondContact O-N 2.84Å; T159-E161 PolarHBondContact OG1-OE2 3.15Å; T159-K162 PolarHBondContact O-N 2.85Å; T159-K162 WeakPolarHBondContact OG1-CG 3.44Å; T159-V163 PolarHBondContact O-N 3.23Å
160L92.8Very high88.3Confident5 Ų565 Ų653%0.02636%0.364CS..Hα-helixtrans-60.5-41.7-176.3178.158.4000111.6F140 L145 K162 V163 M164 L257 L260 P295F140-L160 HydrophobicContact CD2-CD2 4.28Å; F140-L160 HydrophobicContact CE1-CD2 4.23Å; F140-L160 HydrophobicContact CE2-CD2 3.81Å; F140-L160 HydrophobicContact CZ-CD2 3.79Å; L145-L160 HydrophobicContact CD1-CD2 3.6Å; L145-L160 HydrophobicContact CD2-CD2 4.37Å; L160-K162 PolarHBondContact O-N 3.45Å; L160-V163 PolarHBondContact O-N 3.21Å; L160-M164 HydrophobicContact CD1-CG 3.92Å; L160-M164 HydrophobicContact CD1-SD 3.84Å; L160-M164 HydrophobicContact CD2-SD 4.19Å; L160-M164 HydrophobicContact CG-CG 4.24Å; L160-M164 HydrophobicContact CG-SD 3.64Å; L160-M164 WeakPolarHBondContact O-CB 3.49Å; L160-M164 VanDerWaalsContact O-CG 3.31Å; L160-M164 WeakPolarHBondContact O-CG 3.32Å; L160-M164 PolarHBondContact O-N 3.29Å; L160-L257 HydrophobicContact CB-CD1 4.4Å; L160-L257 HydrophobicContact CD1-CD1 4.05Å; L160-L260 HydrophobicContact CD1-CD1 3.47Å; L160-L260 VanDerWaalsContact CD1-CD1 3.47Å; L160-P295 HydrophobicContact CD2-CG 4.36Å
161E93.2Very high88.4Confident106 Ų10662 Ų6250%0.49534%0.342SS..Hα-helixtrans-63.1-42.2-179.3-40.567.9-132.500111.2T159 V163 A165T159-E161 VanDerWaalsContact C-N 3.31Å; T159-E161 WeakPolarHBondContact CB-OE2 3.3Å; T159-E161 PolarHBondContact O-N 2.84Å; T159-E161 PolarHBondContact OG1-OE2 3.15Å; E161-V163 VanDerWaalsContact C-N 3.32Å; E161-V163 PolarHBondContact O-N 3.44Å; E161-A165 WeakPolarHBondContact O-CB 3.43Å; E161-A165 PolarHBondContact O-N 3.11Å
162K94.4Very high88.4Confident130 Ų13064.4 Ų64.457%0.56536%0.359SS*.Hα-helixtrans-65.9-33.9178.3-73.6175.4-178.6173.70112.5T159 L160 K166T159-K162 PolarHBondContact O-N 2.85Å; T159-K162 WeakPolarHBondContact OG1-CG 3.44Å; L160-K162 PolarHBondContact O-N 3.45Å; K162-K166 WeakPolarHBondContact O-CG 3.48Å
163V95.6Very high88.2Confident1 Ų166.2 Ų66.21%0.00637%0.374CS..Hα-helixtrans-79.4-441781740000110.9Q158 T159 L160 E161 A165 K166 M167 L257 L260 E261Q158-V163 HydrophobicContact CB-CG2 4.01Å; T159-V163 PolarHBondContact O-N 3.23Å; L160-V163 PolarHBondContact O-N 3.21Å; E161-V163 VanDerWaalsContact C-N 3.32Å; E161-V163 PolarHBondContact O-N 3.44Å; V163-A165 VanDerWaalsContact C-N 3.32Å; V163-A165 PolarHBondContact O-N 3.19Å; V163-K166 PolarHBondContact O-N 2.86Å; V163-M167 WeakPolarHBondContact O-CB 3.43Å; V163-M167 PolarHBondContact O-N 3.33Å; V163-L257 HydrophobicContact CB-CD1 3.8Å; V163-L257 HydrophobicContact CB-CG 4.43Å; V163-L257 HydrophobicContact CG1-CD1 4.18Å; V163-L257 HydrophobicContact CG2-CD1 3.76Å; V163-L257 HydrophobicContact CG2-CD2 4.12Å; V163-L257 HydrophobicContact CG2-CG 3.91Å; V163-L260 HydrophobicContact CG1-CB 3.51Å; V163-L260 HydrophobicContact CG1-CD1 4.37Å; V163-E261 HydrophobicContact CB-CG 4.36Å; V163-E261 HydrophobicContact CG1-CG 3.57Å; V163-E261 HydrophobicContact CG2-CG 3.8Å
164M95.4Very high88.2Confident12 Ų1255.3 Ų55.36%0.05934%0.335CS..Hα-helixtrans-57.9-42.8172.8-73.3174.164.300112.2L133 H134 N138 F140 L160 K166 M167 F168L133-M164 HydrophobicContact CD1-CE 3.63Å; L133-M164 HydrophobicContact CD1-SD 4.04Å; L133-M164 HydrophobicContact CD2-CE 4.1Å; L133-M164 HydrophobicContact CD2-CG 4.19Å; L133-M164 HydrophobicContact CD2-SD 4.14Å; L133-M164 HydrophobicContact CG-CE 3.8Å; L133-M164 HydrophobicContact CG-SD 4.39Å; H134-M164 VanDerWaalsContact O-CE 3.27Å; H134-M164 WeakPolarHBondContact O-CE 3.43Å; N138-M164 WeakPolarHBondContact ND2-CE 3.46Å; F140-M164 HydrophobicContact CE2-SD 4.22Å; F140-M164 HydrophobicContact CZ-CE 4.09Å; F140-M164 HydrophobicContact CZ-SD 3.83Å; L160-M164 HydrophobicContact CD1-CG 3.92Å; L160-M164 HydrophobicContact CD1-SD 3.84Å; L160-M164 HydrophobicContact CD2-SD 4.19Å; L160-M164 HydrophobicContact CG-CG 4.24Å; L160-M164 HydrophobicContact CG-SD 3.64Å; L160-M164 WeakPolarHBondContact O-CB 3.49Å; L160-M164 VanDerWaalsContact O-CG 3.31Å; L160-M164 WeakPolarHBondContact O-CG 3.32Å; L160-M164 PolarHBondContact O-N 3.29Å; M164-K166 VanDerWaalsContact C-N 3.27Å; M164-K166 PolarHBondContact O-N 2.77Å; M164-M167 PolarHBondContact O-N 3.46Å; M164-M167 VanDerWaalsContact O-N 3.13Å; M164-F168 HydrophobicContact CB-CD2 4.34Å; M164-F168 HydrophobicContact CB-CE2 4.4Å; M164-F168 HydrophobicContact CE-CE2 4.02Å; M164-F168 VanDerWaalsContact O-CD2 3.29Å; M164-F168 WeakPolarHBondContact O-CD2 3.39Å; M164-F168 PolarHBondContact O-N 2.76Å
165A95.3Very high88.2Confident56 Ų5659 Ų5946%0.46336%0.357SS..Hα-helixtrans-62.1-31.3178.700000113.3E161 V163 Q169E161-A165 WeakPolarHBondContact O-CB 3.43Å; E161-A165 PolarHBondContact O-N 3.11Å; V163-A165 VanDerWaalsContact C-N 3.32Å; V163-A165 PolarHBondContact O-N 3.19Å; A165-Q169 VanDerWaalsContact O-CG 3.32Å; A165-Q169 WeakPolarHBondContact O-CG 3.29Å; A165-Q169 PolarHBondContact O-NE2 3.35Å; A165-Q169 VanDerWaalsContact O-NE2 3.09Å
166K95.9Very high88.1Confident95 Ų9560 Ų6041%0.41335%0.346SS..Hα-helixtrans-77-41.8171.3-65.6167.3-178.8178.20111.6K162 V163 M164 Q169 T264K162-K166 WeakPolarHBondContact O-CG 3.48Å; V163-K166 PolarHBondContact O-N 2.86Å; M164-K166 VanDerWaalsContact C-N 3.27Å; M164-K166 PolarHBondContact O-N 2.77Å; K166-Q169 WeakPolarHBondContact O-CB 3.19Å; K166-Q169 PolarHBondContact O-N 3.18Å; K166-Q169 VanDerWaalsContact O-N 3.13Å; K166-T264 HydrophobicContact CB-CG2 4.3Å
167M97Very high87.3Confident0 Ų061.2 Ų61.20%035%0.352CS..Hα-helixtrans-61.1-47.6-177.6-171.5-176.270.300111.8L133 V163 M164 Q169 V170 I171 L260 L263 T264 V292L133-M167 HydrophobicContact CD2-CE 4.15Å; V163-M167 WeakPolarHBondContact O-CB 3.43Å; V163-M167 PolarHBondContact O-N 3.33Å; M164-M167 PolarHBondContact O-N 3.46Å; M164-M167 VanDerWaalsContact O-N 3.13Å; M167-Q169 PolarHBondContact O-N 2.71Å; M167-Q169 VanDerWaalsContact O-N 3.14Å; M167-V170 PolarHBondContact O-N 3.37Å; M167-I171 HydrophobicContact CE-CD1 4.14Å; M167-I171 HydrophobicContact CG-CD1 4.07Å; M167-I171 HydrophobicContact CG-CG1 4.3Å; M167-I171 PolarHBondContact O-N 2.58Å; M167-I171 HydrophobicContact SD-CD1 4.36Å; M167-L260 HydrophobicContact CE-CD2 4.48Å; M167-L260 HydrophobicContact SD-CB 4.13Å; M167-L260 HydrophobicContact SD-CD2 3.79Å; M167-L263 HydrophobicContact CG-CD2 4Å; M167-L263 HydrophobicContact SD-CD2 3.69Å; M167-T264 VanDerWaalsContact CA-OG1 3.31Å; M167-T264 WeakPolarHBondContact CA-OG1 3.48Å; M167-T264 WeakPolarHBondContact CB-OG1 3.38Å; M167-V292 HydrophobicContact CE-CG2 3.96Å; M167-V292 HydrophobicContact SD-CG2 3.95Å
168F96.2Very high85.6Confident35 Ų3563.1 Ų63.115%0.15435%0.35CS..THydrogen-bonded Turntrans-75.69.8176.7-67.8-65.2000114.5A135 M164 I171 P173A135-F168 HydrophobicContact CB-CB 4.26Å; A135-F168 HydrophobicContact CB-CD1 4.06Å; A135-F168 HydrophobicContact CB-CD2 3.79Å; A135-F168 HydrophobicContact CB-CE1 4.35Å; A135-F168 HydrophobicContact CB-CE2 4.1Å; A135-F168 HydrophobicContact CB-CG 3.77Å; A135-F168 HydrophobicContact CB-CZ 4.37Å; M164-F168 HydrophobicContact CB-CD2 4.34Å; M164-F168 HydrophobicContact CB-CE2 4.4Å; M164-F168 HydrophobicContact CE-CE2 4.02Å; M164-F168 VanDerWaalsContact O-CD2 3.29Å; M164-F168 WeakPolarHBondContact O-CD2 3.39Å; M164-F168 PolarHBondContact O-N 2.76Å; F168-I171 HydrophobicContact CD1-CD1 4.11Å; F168-I171 HydrophobicContact CD1-CG1 3.83Å; F168-I171 HydrophobicContact CE1-CD1 3.9Å; F168-I171 HydrophobicContact CE1-CG1 4.14Å; F168-P173 HydrophobicContact CD1-CB 4.44Å
169Q95.9Very high83.6Confident162 Ų16264.8 Ų64.876%0.75737%0.365SS*.THydrogen-bonded Turntrans-94.6-14.2160.8-65.1166.114.400112.1A165 K166 M167A165-Q169 VanDerWaalsContact O-CG 3.32Å; A165-Q169 WeakPolarHBondContact O-CG 3.29Å; A165-Q169 PolarHBondContact O-NE2 3.35Å; A165-Q169 VanDerWaalsContact O-NE2 3.09Å; K166-Q169 WeakPolarHBondContact O-CB 3.19Å; K166-Q169 PolarHBondContact O-N 3.18Å; K166-Q169 VanDerWaalsContact O-N 3.13Å; M167-Q169 PolarHBondContact O-N 2.71Å; M167-Q169 VanDerWaalsContact O-N 3.14Å
170V96.4Very high81.6Confident29 Ų2966.9 Ų66.918%0.17638%0.379CS..THydrogen-bonded Turntrans-108.1-38.2-178.8178.10000111.8M167 T264 L267 R287M167-V170 PolarHBondContact O-N 3.37Å; V170-T264 HydrophobicContact CB-CG2 4.46Å; V170-T264 HydrophobicContact CG2-CG2 3.8Å; V170-L267 HydrophobicContact CG1-CB 3.85Å; V170-R287 WeakPolarHBondContact O-CD 3.05Å
171I95.6Very high79.7Confident6 Ų670.2 Ų70.23%0.03140%0.4CS..SBendtrans-103.5149173.571.7173.7000110.5M167 F168 L263 L267 R287 V290 V292M167-I171 HydrophobicContact CE-CD1 4.14Å; M167-I171 HydrophobicContact CG-CD1 4.07Å; M167-I171 HydrophobicContact CG-CG1 4.3Å; M167-I171 PolarHBondContact O-N 2.58Å; M167-I171 HydrophobicContact SD-CD1 4.36Å; F168-I171 HydrophobicContact CD1-CD1 4.11Å; F168-I171 HydrophobicContact CD1-CG1 3.83Å; F168-I171 HydrophobicContact CE1-CD1 3.9Å; F168-I171 HydrophobicContact CE1-CG1 4.14Å; I171-L263 HydrophobicContact CD1-CD2 4.24Å; I171-L263 HydrophobicContact CG2-CD2 4.46Å; I171-L267 HydrophobicContact CG2-CD1 3.67Å; I171-R287 WeakPolarHBondContact CA-O 3.49Å; I171-V290 HydrophobicContact CB-CB 4.04Å; I171-V290 HydrophobicContact CB-CG1 4.48Å; I171-V290 HydrophobicContact CB-CG2 4.39Å; I171-V290 HydrophobicContact CD1-CB 4.09Å; I171-V290 HydrophobicContact CD1-CG1 3.84Å; I171-V290 HydrophobicContact CG2-CB 3.84Å; I171-V290 HydrophobicContact CG2-CG1 3.99Å; I171-V290 HydrophobicContact CG2-CG2 3.85Å; I171-V292 HydrophobicContact CD1-CG2 4.15Å
172S92.1Very high78Confident54 Ų5470 Ų7038%0.37840%0.402SS..PPolyproline II helixtrans-64.5145167.7-59.20000109.9R287 D288S172-R287 PolarHBondContact N-O 3.12Å; S172-D288 WeakPolarHBondContact OG-CA 3.33Å
173P82.6Confident76.6Confident78 Ų7873.2 Ų73.251%0.50642%0.416SS..PPolyproline II helixtrans-60.5142.316628.2-34.2000109.1A135 F168A135-P173 HydrophobicContact CB-CB 4.02Å; F168-P173 HydrophobicContact CD1-CB 4.44Å
174P76.4Confident75.8Confident12 Ų1282 Ų828%0.07845%0.449CS..PPolyproline II helixtrans-59.2146.4175.526.2-35.2000109.8I132 V176 L291I132-P174 HydrophobicContact CG2-CB 4.08Å; I132-P174 HydrophobicContact CG2-CG 3.88Å; P174-V176 PolarHBondContact O-N 3.43Å; P174-L291 HydrophobicContact CB-CD2 3.85Å
175P69.2Low75.5Confident110 Ų11083 Ų8371%0.71446%0.456SS*.PPolyproline II helixtrans-51.7127.8171.6-24.933.9000110D177P175-D177 PolarHBondContact O-N 3.41Å
176V59.3Low75.3Confident113 Ų11384.1 Ų84.169%0.68545%0.449SS*.  trans-71.499.4166.5179.40000105.5P174 P178P174-V176 PolarHBondContact O-N 3.43Å; V176-P178 WeakPolarHBondContact O-CD 3.38Å; V176-P178 WeakPolarHBondContact O-CG 3.49Å
177D53.6Low75.3Confident95 Ų9582.7 Ų82.751%0.50844%0.442SS..  trans-61.7105.5-176.2-157.2-7.3000108.5P175 T179 R186P175-D177 PolarHBondContact O-N 3.41Å; D177-T179 VanDerWaalsContact C-N 3.29Å; D177-T179 PolarHBondContact O-N 3.44Å; D177-R186 IonicContact OD2-NH2 3.12Å
178P43.2Very low75.4Confident116 Ų11682.7 Ų82.775%0.75344%0.442SS*.  trans-74.4-21.6-160.2-18.532.2000113.7V176V176-P178 WeakPolarHBondContact O-CD 3.38Å; V176-P178 WeakPolarHBondContact O-CG 3.49Å
179T43.1Very low75.5Confident91 Ų9181 Ų8156%0.55844%0.435SS*.SBendtrans-153.9141.4179.541.30000109.2D177 V181D177-T179 VanDerWaalsContact C-N 3.29Å; D177-T179 PolarHBondContact O-N 3.44Å; T179-V181 PolarHBondContact O-N 2.97Å
180P49.6Very low75.6Confident98 Ų9873.3 Ų73.364%0.63640%0.399SS*.  trans-62126.416230.3-34.1000108N182P180-N182 VanDerWaalsContact CB-OD1 3.32Å; P180-N182 WeakPolarHBondContact CB-OD1 3.48Å; P180-N182 WeakPolarHBondContact CG-OD1 3.48Å; P180-N182 PolarHBondContact O-N 3.01Å; P180-N182 PolarHBondContact O-OD1 2.76Å
181V53.1Low75.7Confident75 Ų7572 Ų7246%0.45539%0.391SS..  trans-80.471.8-178.2-171.10000108.9T179 K183 R184T179-V181 PolarHBondContact O-N 2.97Å; V181-K183 PolarHBondContact O-N 3.39Å; V181-R184 HydrophobicContact CG1-CB 4.26Å; V181-R184 HydrophobicContact CG1-CG 3.94Å; V181-R184 PolarHBondContact O-N 3.37Å
182N58.3Low75.9Confident101 Ų10171.8 Ų71.854%0.5439%0.391SS..THydrogen-bonded Turntrans-56.3-3-174.7-65.90.4000115.2G106 P180G106-N182 PolarHBondContact N-O 3.41Å; P180-N182 VanDerWaalsContact CB-OD1 3.32Å; P180-N182 WeakPolarHBondContact CB-OD1 3.48Å; P180-N182 WeakPolarHBondContact CG-OD1 3.48Å; P180-N182 PolarHBondContact O-N 3.01Å; P180-N182 PolarHBondContact O-OD1 2.76Å
183K64.5Low76.1Confident198 Ų19870 Ų7086%0.86138%0.377SS*.THydrogen-bonded Turntrans-102.17.5175-58.6-170.6178.5-173.80113.9V181V181-K183 PolarHBondContact O-N 3.39Å
184R79.1Confident76.7Confident186 Ų18666.8 Ų66.870%0.70236%0.357SS*.SBendtrans-127.7156.4177.8-69.7-175.6179.2176.2-0.8110.6G106 V181G106-R184 WeakPolarHBondContact CA-O 3.33Å; G106-R184 PolarHBondContact N-O 3.33Å; V181-R184 HydrophobicContact CG1-CB 4.26Å; V181-R184 HydrophobicContact CG1-CG 3.94Å; V181-R184 PolarHBondContact O-N 3.37Å
185C88.8Confident77.5Confident32 Ų3266.5 Ų66.522%0.21636%0.355CS..  trans-115.8102.5176.1-1780000109.3G106 C107 K187G106-C185 WeakPolarHBondContact O-CB 3.45Å; C107-C185 VanDerWaalsContact CA-SG 3.52Å; C107-C185 HydrophobicContact CB-CB 3.93Å; C107-C185 WeakPolarHBondContact CB-SG 3.31Å; C107-C185 VanDerWaalsContact SG-CA 3.52Å; C107-C185 WeakPolarHBondContact SG-CB 3.41Å; C107-C185 CovalentContact SG-SG 2.03Å; C107-C185 PolarHBondContact SG-SG 3.11Å; C185-K187 PolarHBondContact O-N 2.99Å; C185-K187 VanDerWaalsContact O-N 3.15Å; C185-K187 WeakPolarHBondContact SG-CE 3.45Å
186R91.8Very high78.6Confident80 Ų8061.9 Ų61.930%0.30233%0.325SS..  trans-83.783.7-179.7-170.7-172.9-77.6174.30.5109.4D177 F211 T326 D328D177-R186 IonicContact OD2-NH2 3.12Å; R186-F211 HydrophobicContact CG-CD2 4.21Å; R186-F211 HydrophobicContact CG-CE2 4.2Å; R186-F211 HydrophobicContact CG-CG 4.45Å; R186-F211 HydrophobicContact CG-CZ 4.4Å; R186-T326 WeakPolarHBondContact CD-O 3.33Å; R186-T326 PolarHBondContact NH1-O 3.49Å; R186-D328 VanDerWaalsContact CB-OD2 3.27Å; R186-D328 WeakPolarHBondContact CB-OD2 3.34Å; R186-D328 PolarHBondContact N-OD2 2.84Å; R186-D328 PolarHBondContact O-N 3.15Å
187K95.8Very high80.4Confident65 Ų6556.6 Ų56.628%0.28329%0.293SS..EExtended strand (participates in β ladder)trans-77127.2174-53.3-159.2-177.3-144.80110.4D109 C185 S210 F211 Q329D109-K187 IonicContact OD2-NZ 3.46Å; D109-K187 PolarHBondContact OD2-NZ 3.5Å; C185-K187 PolarHBondContact O-N 2.99Å; C185-K187 VanDerWaalsContact O-N 3.15Å; C185-K187 WeakPolarHBondContact SG-CE 3.45Å; K187-S210 WeakPolarHBondContact O-CB 3.48Å; K187-S210 PolarHBondContact O-N 3.28Å; K187-F211 PolarHBondContact O-N 3.34Å; K187-Q329 VanDerWaalsContact CD-OE1 3.3Å; K187-Q329 HydrophobicContact CG-CB 4.32Å
188C98.1Very high82.4Confident0 Ų057.2 Ų57.20%029%0.288CS..EExtended strand (participates in β ladder)trans-120.6133.4-175.7-66.20000112H209 F211 C327 Q329 V330 S331C188-H209 PolarHBondContact O-CD2 3.45Å; C188-F211 WeakPolarHBondContact CA-O 3.36Å; C188-F211 HydrophobicContact CB-CB 4.35Å; C188-C327 HydrophobicContact CB-CB 3.68Å; C188-C327 WeakPolarHBondContact CB-SG 3.49Å; C188-C327 WeakPolarHBondContact SG-CB 3.42Å; C188-C327 CovalentContact SG-SG 2.02Å; C188-C327 PolarHBondContact SG-SG 2.88Å; C188-Q329 PolarHBondContact N-O 3.04Å; C188-V330 HydrophobicContact CB-CG2 4.28Å; C188-V330 WeakPolarHBondContact O-CA 3.4Å; C188-S331 PolarHBondContact O-N 3.24Å
189A98.8Very high84.9Confident0 Ų054.7 Ų54.70%028%0.283CS..EExtended strand (participates in β ladder)trans-99.1124.5165.500000109.5V191 I206 H209 F211 I212 I213 S331 F333A189-V191 HydrophobicContact CB-CG2 4.39Å; A189-I206 HydrophobicContact CB-CG2 4.27Å; A189-H209 HydrophobicContact CB-CB 3.9Å; A189-F211 PolarHBondContact N-O 2.65Å; A189-I212 HydrophobicContact CB-CG1 4.34Å; A189-I213 PolarHBondContact O-N 3.11Å; A189-S331 CarbonylContact C-O 3.48Å; A189-S331 WeakPolarHBondContact CA-O 3.32Å; A189-F333 HydrophobicContact CB-CD2 4.18Å; A189-F333 HydrophobicContact CB-CE2 3.8Å
190V98.9Very high87.4Confident0 Ų052.1 Ų52.10%027%0.269CS..EExtended strand (participates in β ladder)trans-101.8110.2169.4-173.90000107.6I213 M215 A319 I320 A323 V330 S331 F333 Y335V190-I213 HydrophobicContact CG1-CG2 4.17Å; V190-I213 HydrophobicContact CG2-CB 4.38Å; V190-I213 HydrophobicContact CG2-CD1 4.07Å; V190-M215 HydrophobicContact CG1-CE 3.89Å; V190-A319 HydrophobicContact CG1-CB 4.07Å; V190-I320 HydrophobicContact CG1-CG1 4.07Å; V190-A323 HydrophobicContact CG2-CB 3.63Å; V190-V330 HydrophobicContact CG2-CG1 3.96Å; V190-S331 PolarHBondContact N-O 2.9Å; V190-F333 PolarHBondContact O-N 3.16Å; V190-Y335 HydrophobicContact CG1-CE2 4.07Å; V190-Y335 VanDerWaalsContact CG1-OH 3.27Å; V190-Y335 WeakPolarHBondContact CG1-OH 3.11Å
191V98.9Very high89.7Confident1 Ų149 Ų491%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-105.9100.7-175.7-169.70000108.8A189 L197 I206 I212 I213 R214 F333A189-V191 HydrophobicContact CB-CG2 4.39Å; V191-L197 HydrophobicContact CG1-CD1 4.11Å; V191-I206 HydrophobicContact CG1-CD1 4.32Å; V191-I206 HydrophobicContact CG2-CD1 4.04Å; V191-I206 HydrophobicContact CG2-CG1 4.17Å; V191-I206 HydrophobicContact CG2-CG2 3.68Å; V191-I212 HydrophobicContact CG2-CG2 4.26Å; V191-I213 PolarHBondContact N-O 3.38Å; V191-R214 HydrophobicContact CB-CG 4.41Å; V191-F333 WeakPolarHBondContact CA-O 3.36Å; V191-F333 HydrophobicContact CG2-CD2 4.46Å
192G98.2Very high91.9Very high2 Ų247.2 Ų47.22%0.02124%0.241CC..  trans-71.5-174168.700000112.2F333 G334G192-F333 PolarHBondContact N-O 3.42Å; G192-G334 CarbonylContact C-O 3.54Å; G192-G334 VanDerWaalsContact C-O 3.25Å; G192-G334 WeakPolarHBondContact CA-O 3.45Å
193N96.9Very high93.8Very high16 Ų1642.4 Ų42.49%0.08622%0.216CC..  trans-111.23.4-165.9-69.8-36.2000114.9M215 A218 G334 H345 Y346 W347N193-M215 PolarHBondContact ND2-O 3.4Å; N193-A218 WeakPolarHBondContact OD1-CB 3.42Å; N193-G334 PolarHBondContact N-O 3.04Å; N193-G334 VanDerWaalsContact N-O 3.13Å; N193-H345 WeakPolarHBondContact O-CA 3.41Å; N193-Y346 WeakPolarHBondContact O-CD1 3.28Å; N193-Y346 PolarHBondContact O-N 3.48Å; N193-W347 HydrophobicContact CB-CH2 3.74Å; N193-W347 HydrophobicContact CB-CZ3 3.65Å; N193-W347 WeakPolarHBondContact OD1-CZ3 3.49Å
194S94.6Very high95.5Very high12 Ų1239.4 Ų39.48%0.08421%0.209CC..BIsolated β-bridgetrans-63.5148.3-174.3-1730000114.3N196 L197 G334 G336S194-N196 WeakPolarHBondContact CB-OD1 3.17Å; S194-N196 PolarHBondContact O-N 2.85Å; S194-L197 PolarHBondContact O-N 2.78Å; S194-G334 WeakPolarHBondContact CB-O 3.02Å; S194-G334 PolarHBondContact N-O 2.96Å; S194-G336 VanDerWaalsContact CB-O 3.25Å; S194-G336 WeakPolarHBondContact CB-O 3.47Å; S194-G336 PolarHBondContact OG-O 3.01Å
195G93.4Very high96.4Very high5 Ų533.7 Ų33.75%0.05219%0.192CC..G310 helixtrans-58.9-20.8175.100000115.6L197 R198 H344G195-L197 PolarHBondContact O-N 2.91Å; G195-L197 VanDerWaalsContact O-N 3.13Å; G195-R198 WeakPolarHBondContact O-CB 3.24Å; G195-R198 WeakPolarHBondContact O-CG 3.48Å; G195-R198 PolarHBondContact O-N 2.8Å; G195-H344 VanDerWaalsContact CA-CE1 3.42Å; G195-H344 WeakPolarHBondContact CA-CE1 3.42Å; G195-H344 PolarHBondContact N-O 2.86Å
196N93.7Very high96.9Very high14 Ų1432.1 Ų32.18%0.07518%0.182CC..G310 helixtrans-61-19.9178.663.75.1000114.3S194 R198 G334 Y335 A337S194-N196 WeakPolarHBondContact CB-OD1 3.17Å; S194-N196 PolarHBondContact O-N 2.85Å; N196-R198 PolarHBondContact O-N 2.91Å; N196-G334 WeakPolarHBondContact OD1-CA 3.35Å; N196-Y335 PolarHBondContact ND2-O 3.18Å; N196-A337 PolarHBondContact ND2-O 2.81Å
197L96.9Very high97.2Very high2 Ų229.8 Ų29.81%0.0118%0.175CC..G310 helixtrans-61.9-25171.7-73.9166.9000113.6V191 S194 G195 G199 S200 D226 V227 F333 Y346V191-L197 HydrophobicContact CG1-CD1 4.11Å; S194-L197 PolarHBondContact O-N 2.78Å; G195-L197 PolarHBondContact O-N 2.91Å; G195-L197 VanDerWaalsContact O-N 3.13Å; L197-G199 PolarHBondContact O-N 2.91Å; L197-S200 WeakPolarHBondContact O-CB 3.41Å; L197-S200 PolarHBondContact O-N 3.35Å; L197-S200 PolarHBondContact O-OG 3.05Å; L197-D226 VanDerWaalsContact O-CB 3.25Å; L197-D226 WeakPolarHBondContact O-CB 3.43Å; L197-D226 VanDerWaalsContact O-CG 3.24Å; L197-V227 HydrophobicContact CB-CG1 4.05Å; L197-V227 HydrophobicContact CD1-CG1 3.89Å; L197-V227 HydrophobicContact CG-CG1 4.39Å; L197-F333 HydrophobicContact CD2-CB 4.09Å; L197-Y346 HydrophobicContact CB-CD1 4.29Å; L197-Y346 HydrophobicContact CB-CG 4.34Å; L197-Y346 HydrophobicContact CD1-CD1 3.54Å; L197-Y346 HydrophobicContact CD1-CE1 3.73Å; L197-Y346 HydrophobicContact CD1-CG 4.35Å
198R94.4Very high97.3Very high107 Ų10730.9 Ų30.940%0.40419%0.191SC..THydrogen-bonded Turntrans-61.4120.5-176.6-73.4-175.7168.5159.22.5112.5G195 N196 S200 H344 Y346 E348G195-R198 WeakPolarHBondContact O-CB 3.24Å; G195-R198 WeakPolarHBondContact O-CG 3.48Å; G195-R198 PolarHBondContact O-N 2.8Å; N196-R198 PolarHBondContact O-N 2.91Å; R198-S200 PolarHBondContact O-N 2.9Å; R198-H344 PolarHBondContact NH1-CE1 2.03Å; R198-Y346 PolarHBondContact NE-O 3.25Å; R198-Y346 PolarHBondContact NH2-O 3.17Å; R198-E348 PolarHBondContact NH2-O 2.88Å
199G95.4Very high97.3Very high63 Ų6331.5 Ų31.565%0.64919%0.194SC*.THydrogen-bonded Turntrans73.16.7-178.600000114.6L197 G201 D226L197-G199 PolarHBondContact O-N 2.91Å; G199-G201 VanDerWaalsContact C-N 3.32Å; G199-G201 PolarHBondContact O-N 3.32Å; G199-D226 WeakPolarHBondContact CA-OD1 3.4Å; G199-D226 VanDerWaalsContact N-CG 3.27Å; G199-D226 PolarHBondContact N-OD1 2.91Å; G199-D226 PolarHBondContact N-OD2 2.82Å
200S97.1Very high97.1Very high37 Ų3734.5 Ų34.526%0.25922%0.215SC..  trans-68.4-26.9-178.765.50000113.9L197 R198 H202 D226L197-S200 WeakPolarHBondContact O-CB 3.41Å; L197-S200 PolarHBondContact O-N 3.35Å; L197-S200 PolarHBondContact O-OG 3.05Å; R198-S200 PolarHBondContact O-N 2.9Å; S200-H202 WeakPolarHBondContact CB-ND1 3.43Å; S200-H202 PolarHBondContact O-N 2.79Å; S200-H202 PolarHBondContact OG-N 3.36Å; S200-H202 PolarHBondContact OG-ND1 2.86Å; S200-D226 PolarHBondContact N-OD1 3.09Å; S200-D226 VanDerWaalsContact N-OD1 3.12Å
201G98.1Very high97Very high34 Ų3437.4 Ų37.435%0.35123%0.227SC..  trans67.510.2-17500000114.9G199 G203 K225 D226G199-G201 VanDerWaalsContact C-N 3.32Å; G199-G201 PolarHBondContact O-N 3.32Å; G201-G203 PolarHBondContact O-N 3.44Å; G201-G203 VanDerWaalsContact O-N 3.09Å; G201-K225 CarbonylContact C-O 3.57Å; G201-K225 VanDerWaalsContact CA-O 3.31Å; G201-K225 WeakPolarHBondContact CA-O 3.3Å; G201-D226 PolarHBondContact N-OD1 2.77Å
202H98.6Very high97Very high36 Ų3637.3 Ų37.317%0.16723%0.227CC..THydrogen-bonded Turntrans-67.4-6.4-176.3-67.7150000114.4S200 N204 L205 I206 D226 F333S200-H202 WeakPolarHBondContact CB-ND1 3.43Å; S200-H202 PolarHBondContact O-N 2.79Å; S200-H202 PolarHBondContact OG-N 3.36Å; S200-H202 PolarHBondContact OG-ND1 2.86Å; H202-N204 VanDerWaalsContact C-N 3.34Å; H202-N204 PolarHBondContact O-N 3.39Å; H202-L205 WeakPolarHBondContact O-CB 3.33Å; H202-L205 PolarHBondContact O-N 2.99Å; H202-I206 HydrophobicContact CB-CD1 4.08Å; H202-I206 HydrophobicContact CB-CG1 4.45Å; H202-I206 WeakPolarHBondContact O-CG1 3.27Å; H202-I206 PolarHBondContact O-N 3.26Å; H202-D226 CarbonylContact C-O 3.52Å; H202-D226 WeakPolarHBondContact CB-O 3.46Å; H202-F333 HydrophobicContact CB-CD1 4.03Å; H202-F333 HydrophobicContact CB-CE1 4.22Å; H202-F333 AromaticContact ND1-CD1 3.95Å
203G98.6Very high97Very high0 Ų037.3 Ų37.30%023%0.227CC..Hα-helixtrans-61.4-35.3-169.100000114.9G201 N207 K225 D226 G228G201-G203 PolarHBondContact O-N 3.44Å; G201-G203 VanDerWaalsContact O-N 3.09Å; G203-N207 WeakPolarHBondContact O-CB 3.37Å; G203-N207 VanDerWaalsContact O-CG 3.22Å; G203-N207 PolarHBondContact O-N 3.19Å; G203-N207 PolarHBondContact O-ND2 3.42Å; G203-K225 WeakPolarHBondContact CA-O 3.23Å; G203-K225 PolarHBondContact N-O 3.12Å; G203-D226 PolarHBondContact N-O 3.34Å; G203-D226 VanDerWaalsContact N-O 3.09Å; G203-G228 WeakPolarHBondContact O-CA 3.18Å
204N98.6Very high97.1Very high136 Ų13636.7 Ų36.773%0.72722%0.223SC*.Hα-helixtrans-69.4-37.1174.4-76.8-15000112.3H202 N207 S208H202-N204 VanDerWaalsContact C-N 3.34Å; H202-N204 PolarHBondContact O-N 3.39Å; N204-N207 PolarHBondContact O-N 2.9Å; N204-S208 PolarHBondContact O-N 2.79Å
205L98.7Very high97.3Very high65 Ų6536.3 Ų36.334%0.3422%0.22SC..Hα-helixtrans-72.4-40.3177.3178.259.5000111.4H202 N207 S208 H209 F333 Y383H202-L205 WeakPolarHBondContact O-CB 3.33Å; H202-L205 PolarHBondContact O-N 2.99Å; L205-N207 VanDerWaalsContact C-N 3.33Å; L205-N207 PolarHBondContact O-N 3.21Å; L205-S208 PolarHBondContact O-N 3.46Å; L205-S208 PolarHBondContact O-OG 3.04Å; L205-H209 PolarHBondContact O-CE1 3.35Å; L205-H209 VanDerWaalsContact O-CE1 3.24Å; L205-H209 PolarHBondContact O-ND1 3.16Å; L205-F333 HydrophobicContact CD2-CE1 3.99Å; L205-F333 HydrophobicContact CD2-CZ 4.15Å; L205-F333 HydrophobicContact CG-CE1 4.25Å; L205-F333 HydrophobicContact CG-CZ 4.03Å; L205-Y383 HydrophobicContact CD2-CD1 4.23Å; L205-Y383 HydrophobicContact CD2-CE1 3.59Å
206I98.8Very high97.5Very high0 Ų037.4 Ų37.40%022%0.224CC..Hα-helixtrans-58.5-49.3170-68.7165.4000109.4A189 V191 H202 S208 H209 I212 F333A189-I206 HydrophobicContact CB-CG2 4.27Å; V191-I206 HydrophobicContact CG1-CD1 4.32Å; V191-I206 HydrophobicContact CG2-CD1 4.04Å; V191-I206 HydrophobicContact CG2-CG1 4.17Å; V191-I206 HydrophobicContact CG2-CG2 3.68Å; H202-I206 HydrophobicContact CB-CD1 4.08Å; H202-I206 HydrophobicContact CB-CG1 4.45Å; H202-I206 WeakPolarHBondContact O-CG1 3.27Å; H202-I206 PolarHBondContact O-N 3.26Å; I206-S208 PolarHBondContact O-N 3.32Å; I206-H209 PolarHBondContact O-N 3.37Å; I206-H209 PolarHBondContact O-ND1 3.11Å; I206-I212 HydrophobicContact CG2-CD1 4.39Å; I206-I212 HydrophobicContact CG2-CG1 4.45Å; I206-I212 HydrophobicContact CG2-CG2 3.9Å; I206-I212 VanDerWaalsContact O-CD1 3.32Å; I206-I212 WeakPolarHBondContact O-CD1 3.47Å; I206-F333 HydrophobicContact CD1-CB 4.24Å; I206-F333 HydrophobicContact CD1-CD1 4.21Å; I206-F333 HydrophobicContact CD1-CD2 4.37Å; I206-F333 HydrophobicContact CD1-CG 4.04Å; I206-F333 HydrophobicContact CG1-CD1 3.96Å; I206-F333 HydrophobicContact CG1-CD2 3.77Å; I206-F333 HydrophobicContact CG1-CE1 4.04Å; I206-F333 HydrophobicContact CG1-CE2 3.83Å; I206-F333 HydrophobicContact CG1-CG 3.84Å; I206-F333 HydrophobicContact CG1-CZ 3.98Å
207N98.7Very high97.7Very high31 Ų3141.4 Ų41.417%0.16624%0.241CC..Hα-helixtrans-62.6-19.2179-83.6-14.1000114.7G203 N204 L205 H209 N229 R230G203-N207 WeakPolarHBondContact O-CB 3.37Å; G203-N207 VanDerWaalsContact O-CG 3.22Å; G203-N207 PolarHBondContact O-N 3.19Å; G203-N207 PolarHBondContact O-ND2 3.42Å; N204-N207 PolarHBondContact O-N 2.9Å; L205-N207 VanDerWaalsContact C-N 3.33Å; L205-N207 PolarHBondContact O-N 3.21Å; N207-H209 VanDerWaalsContact C-N 3.31Å; N207-N229 PolarHBondContact ND2-OD1 3.38Å; N207-N229 PolarHBondContact OD1-N 3.24Å; N207-N229 VanDerWaalsContact OD1-N 3.11Å; N207-N229 PolarHBondContact OD1-OD1 3.27Å; N207-R230 PolarHBondContact O-NH1 2.92Å; N207-R230 WeakPolarHBondContact OD1-CB 3.44Å; N207-R230 PolarHBondContact OD1-N 3.02Å
208S97.9Very high97.7Very high87 Ų8742.1 Ų42.161%0.60825%0.248SC*.THydrogen-bonded Turntrans-81.5-4.8177.377.80000114.1N204 L205 I206N204-S208 PolarHBondContact O-N 2.79Å; L205-S208 PolarHBondContact O-N 3.46Å; L205-S208 PolarHBondContact O-OG 3.04Å; I206-S208 PolarHBondContact O-N 3.32Å
209H97.9Very high97.8Very high13 Ų1339.5 Ų39.56%0.0624%0.243CC..SBendtrans-81.7149.2177.8-68.672000111.8C188 A189 L205 I206 N207 F211 I212 R230 S331C188-H209 PolarHBondContact O-CD2 3.45Å; A189-H209 HydrophobicContact CB-CB 3.9Å; L205-H209 PolarHBondContact O-CE1 3.35Å; L205-H209 VanDerWaalsContact O-CE1 3.24Å; L205-H209 PolarHBondContact O-ND1 3.16Å; I206-H209 PolarHBondContact O-N 3.37Å; I206-H209 PolarHBondContact O-ND1 3.11Å; N207-H209 VanDerWaalsContact C-N 3.31Å; H209-F211 WeakPolarHBondContact CB-O 3.25Å; H209-I212 HydrophobicContact CB-CG1 4.27Å; H209-R230 PolarHBondContact O-NH1 2.79Å; H209-S331 VanDerWaalsContact NE2-CB 3.33Å; H209-S331 WeakPolarHBondContact NE2-CB 3.19Å; H209-S331 PolarHBondContact NE2-OG 2.62Å
210S94.3Very high97.9Very high64 Ų6437.9 Ų37.945%0.44822%0.221SC..SBendtrans-67.3-48178.9-52.30000110.6K187K187-S210 WeakPolarHBondContact O-CB 3.48Å; K187-S210 PolarHBondContact O-N 3.28Å
211F96.8Very high97.9Very high60 Ų6045.6 Ų45.626%0.26324%0.244SC..EExtended strand (participates in β ladder)trans-109.8141.3173.6-74.88.7000110.2R186 K187 C188 A189 H209 T232 H233R186-F211 HydrophobicContact CG-CD2 4.21Å; R186-F211 HydrophobicContact CG-CE2 4.2Å; R186-F211 HydrophobicContact CG-CG 4.45Å; R186-F211 HydrophobicContact CG-CZ 4.4Å; K187-F211 PolarHBondContact O-N 3.34Å; C188-F211 WeakPolarHBondContact CA-O 3.36Å; C188-F211 HydrophobicContact CB-CB 4.35Å; A189-F211 PolarHBondContact N-O 2.65Å; H209-F211 WeakPolarHBondContact CB-O 3.25Å; F211-T232 VanDerWaalsContact CA-OG1 3.3Å; F211-T232 WeakPolarHBondContact CA-OG1 3.36Å; F211-H233 AromaticContact CD2-CE1 3.42Å; F211-H233 VanDerWaalsContact CD2-CE1 3.42Å; F211-H233 WeakPolarHBondContact CD2-CE1 3.4Å; F211-H233 AromaticContact CD2-ND1 3.94Å; F211-H233 AromaticContact CE2-CE1 3.51Å; F211-H233 AromaticContact CG-CE1 3.78Å; F211-H233 AromaticContact CZ-CE1 3.95Å
212I98.8Very high97.9Very high0 Ų046.9 Ų46.90%026%0.258CS..EExtended strand (participates in β ladder)trans-131.4111.4177.1-61.2162.9000107.5A189 V191 I206 H209 R214 R230 T232 H233A189-I212 HydrophobicContact CB-CG1 4.34Å; V191-I212 HydrophobicContact CG2-CG2 4.26Å; I206-I212 HydrophobicContact CG2-CD1 4.39Å; I206-I212 HydrophobicContact CG2-CG1 4.45Å; I206-I212 HydrophobicContact CG2-CG2 3.9Å; I206-I212 VanDerWaalsContact O-CD1 3.32Å; I206-I212 WeakPolarHBondContact O-CD1 3.47Å; H209-I212 HydrophobicContact CB-CG1 4.27Å; I212-R214 HydrophobicContact CG2-CG 4.44Å; I212-R230 HydrophobicContact CD1-CB 3.51Å; I212-R230 WeakPolarHBondContact CG2-O 3.47Å; I212-T232 PolarHBondContact N-OG1 3.33Å; I212-T232 PolarHBondContact O-N 2.85Å; I212-H233 PolarHBondContact O-N 3.02Å; I212-H233 VanDerWaalsContact O-N 3.08Å
213I98.9Very high97.9Very high2 Ų247.6 Ų47.61%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-95.2119.8-178.9-69.4161.9000108A189 V190 V191 H233 F235 A319 A323A189-I213 PolarHBondContact O-N 3.11Å; V190-I213 HydrophobicContact CG1-CG2 4.17Å; V190-I213 HydrophobicContact CG2-CB 4.38Å; V190-I213 HydrophobicContact CG2-CD1 4.07Å; V191-I213 PolarHBondContact N-O 3.38Å; I213-H233 WeakPolarHBondContact CA-O 3.37Å; I213-H233 HydrophobicContact CG1-CB 4.02Å; I213-F235 HydrophobicContact CB-CE2 4.45Å; I213-F235 HydrophobicContact CG1-CE2 4.16Å; I213-F235 HydrophobicContact CG2-CD2 3.62Å; I213-F235 HydrophobicContact CG2-CE2 3.56Å; I213-F235 HydrophobicContact CG2-CG 4.49Å; I213-F235 HydrophobicContact CG2-CZ 4.38Å; I213-A319 HydrophobicContact CG2-CB 4.17Å; I213-A323 HydrophobicContact CD1-CB 3.88Å
214R98.8Very high97.9Very high3 Ų351.3 Ų51.31%0.01128%0.278CS..EExtended strand (participates in β ladder)trans-118.1168.1170.4-62.5-174.1-166.9-81.1-4.4109.8V191 I212 A218 V227 G228 R230 T231 H233 H234 F235V191-R214 HydrophobicContact CB-CG 4.41Å; I212-R214 HydrophobicContact CG2-CG 4.44Å; R214-A218 HydrophobicContact CB-CB 4.34Å; R214-V227 VanDerWaalsContact CZ-O 3.25Å; R214-V227 PolarHBondContact NH1-O 2.81Å; R214-V227 PolarHBondContact NH2-O 3.08Å; R214-G228 PolarHBondContact NH2-O 2.96Å; R214-R230 PolarHBondContact NE-O 2.68Å; R214-R230 PolarHBondContact NH2-O 3.06Å; R214-T231 HydrophobicContact CB-CG2 4.15Å; R214-T231 VanDerWaalsContact CD-OG1 3.27Å; R214-T231 WeakPolarHBondContact CD-OG1 3.4Å; R214-T231 HydrophobicContact CG-CG2 3.99Å; R214-T231 PolarHBondContact NE-OG1 2.98Å; R214-H233 PolarHBondContact N-O 3.33Å; R214-H234 CarbonylContact O-C 3.52Å; R214-H234 WeakPolarHBondContact O-CA 3.41Å; R214-F235 PolarHBondContact O-N 3.13Å
215M98.6Very high97.9Very high4 Ų452.3 Ų52.32%0.0228%0.276CS..EExtended strand (participates in β ladder)trans-149.8157.7-17463.7-160.969.600114.7V190 N193 K217 A218 F235 T315 A319 Y335V190-M215 HydrophobicContact CG1-CE 3.89Å; N193-M215 PolarHBondContact ND2-O 3.4Å; M215-K217 PolarHBondContact O-N 2.76Å; M215-A218 WeakPolarHBondContact O-CB 3.41Å; M215-A218 PolarHBondContact O-N 3.03Å; M215-F235 CarbonylContact C-O 3.57Å; M215-F235 VanDerWaalsContact CA-O 3.28Å; M215-F235 WeakPolarHBondContact CA-O 3.43Å; M215-F235 HydrophobicContact CB-CB 3.94Å; M215-T315 HydrophobicContact CB-CG2 3.72Å; M215-T315 HydrophobicContact CG-CG2 4.19Å; M215-T315 HydrophobicContact SD-CG2 4.12Å; M215-A319 HydrophobicContact CE-CB 3.65Å; M215-Y335 WeakPolarHBondContact CE-OH 3.28Å
216N97.8Very high97.9Very high27 Ų2750.2 Ų50.214%0.14427%0.265CS..THydrogen-bonded Turntrans57-124.5178.1-53.699000111.4H234 F235 Y237 S240 T315N216-H234 PolarHBondContact O-NE2 3.12Å; N216-F235 PolarHBondContact N-O 3.22Å; N216-Y237 VanDerWaalsContact ND2-CE1 3.33Å; N216-Y237 WeakPolarHBondContact ND2-CE1 3.44Å; N216-S240 WeakPolarHBondContact CB-OG 3.39Å; N216-S240 PolarHBondContact ND2-OG 3.44Å; N216-T315 WeakPolarHBondContact OD1-CG2 3.31Å
217K97.1Very high97.8Very high98 Ų9850.2 Ų50.243%0.42627%0.265SS..THydrogen-bonded Turntrans-109.432-176.4-56.7-176.6-176.71700112.4M215 V219 E239 S240 V242 W347M215-K217 PolarHBondContact O-N 2.76Å; K217-V219 WeakPolarHBondContact O-CG2 3.42Å; K217-E239 PolarHBondContact NZ-O 3.26Å; K217-S240 WeakPolarHBondContact CG-O 3.3Å; K217-V242 HydrophobicContact CB-CG1 4.19Å; K217-V242 HydrophobicContact CG-CG1 3.92Å; K217-W347 HydrophobicContact CB-CZ2 4.4Å
218A97.1Very high97.8Very high18 Ų1848.7 Ų48.715%0.14926%0.257CS..  trans-48.9136.4175.500000112.3N193 R214 M215N193-A218 WeakPolarHBondContact OD1-CB 3.42Å; R214-A218 HydrophobicContact CB-CB 4.34Å; M215-A218 WeakPolarHBondContact O-CB 3.41Å; M215-A218 PolarHBondContact O-N 3.03Å
219V96.6Very high97.8Very high51 Ų5149 Ų4931%0.30925%0.252SS..  trans-119.3108.5-175.9-176.50000110K217 F223 Y346 W347K217-V219 WeakPolarHBondContact O-CG2 3.42Å; V219-F223 HydrophobicContact CB-CD2 4.5Å; V219-F223 HydrophobicContact CG1-CD2 4.28Å; V219-F223 HydrophobicContact CG1-CE2 4.4Å; V219-Y346 PolarHBondContact N-OH 3.33Å; V219-Y346 WeakPolarHBondContact O-CE2 3.27Å; V219-W347 HydrophobicContact CB-CB 3.97Å; V219-W347 HydrophobicContact CB-CD2 4.5Å; V219-W347 HydrophobicContact CB-CG 4.17Å; V219-W347 HydrophobicContact CG2-CB 4.04Å; V219-W347 HydrophobicContact CG2-CD2 4.03Å; V219-W347 HydrophobicContact CG2-CG 3.74Å
220T97.8Very high97.9Very high29 Ų2953.3 Ų53.318%0.17827%0.267CS..  trans-75.4-38.1174.847.50000112.6G222 F223 E224 V227T220-G222 PolarHBondContact O-N 2.8Å; T220-F223 CarbonylContact O-C 3.6Å; T220-F223 PolarHBondContact O-N 3.11Å; T220-E224 WeakPolarHBondContact O-CG 3.34Å; T220-E224 PolarHBondContact O-N 2.97Å; T220-V227 HydrophobicContact CG2-CG2 4.47Å
221R97.3Very high98.1Very high199 Ų19951.4 Ų51.475%0.75125%0.253SS*.THydrogen-bonded Turntrans-66.6123.9-172.2-170.4179.4-63.3-173.11.9112.5F223 E224R221-F223 VanDerWaalsContact C-N 3.28Å; R221-F223 WeakPolarHBondContact O-CD2 3.2Å; R221-E224 VanDerWaalsContact CA-OE1 3.3Å; R221-E224 WeakPolarHBondContact CA-OE1 3.48Å
222G97.8Very high98.1Very high62 Ų6249.6 Ų49.664%0.63925%0.247SC*.THydrogen-bonded Turntrans83.8-2.6-17500000114.4T220 E224T220-G222 PolarHBondContact O-N 2.8Å; G222-E224 VanDerWaalsContact C-OE2 3.32Å; G222-E224 VanDerWaalsContact CA-OE2 3.24Å; G222-E224 WeakPolarHBondContact CA-OE2 3.33Å; G222-E224 VanDerWaalsContact N-CD 3.27Å; G222-E224 PolarHBondContact N-OE1 3.21Å; G222-E224 VanDerWaalsContact N-OE1 3.15Å; G222-E224 PolarHBondContact N-OE2 2.79Å
223F98.3Very high98.1Very high51 Ų5150.3 Ų50.322%0.22425%0.25CS..  trans-125.210179.9-59.7-79000112.1V219 T220 R221 K225 D226 V227 Y346 W347V219-F223 HydrophobicContact CB-CD2 4.5Å; V219-F223 HydrophobicContact CG1-CD2 4.28Å; V219-F223 HydrophobicContact CG1-CE2 4.4Å; T220-F223 CarbonylContact O-C 3.6Å; T220-F223 PolarHBondContact O-N 3.11Å; R221-F223 VanDerWaalsContact C-N 3.28Å; R221-F223 WeakPolarHBondContact O-CD2 3.2Å; F223-K225 PolarHBondContact O-N 2.89Å; F223-K225 VanDerWaalsContact O-N 3.13Å; F223-D226 PolarHBondContact O-N 3.46Å; F223-V227 HydrophobicContact CB-CG1 4.3Å; F223-V227 HydrophobicContact CB-CG2 3.9Å; F223-V227 PolarHBondContact O-N 2.89Å; F223-Y346 HydrophobicContact CB-CD2 4.34Å; F223-Y346 HydrophobicContact CB-CE2 4.26Å; F223-Y346 HydrophobicContact CD1-CD2 4.14Å; F223-Y346 HydrophobicContact CD2-CD2 4.45Å; F223-Y346 HydrophobicContact CD2-CE2 4.4Å; F223-Y346 WeakPolarHBondContact CE1-O 3.48Å; F223-Y346 HydrophobicContact CG-CD2 4.04Å; F223-Y346 HydrophobicContact CG-CE2 4.21Å; F223-W347 HydrophobicContact CD2-CB 4.32Å; F223-W347 HydrophobicContact CE2-CB 3.7Å; F223-W347 HydrophobicContact CZ-CB 3.98Å
224E98.6Very high98.1Very high77 Ų7751 Ų5136%0.3625%0.253SS..Hα-helixtrans-59-32.5-168.6-61.687162.500113.2T220 R221 G222 D226 G228 N229T220-E224 WeakPolarHBondContact O-CG 3.34Å; T220-E224 PolarHBondContact O-N 2.97Å; R221-E224 VanDerWaalsContact CA-OE1 3.3Å; R221-E224 WeakPolarHBondContact CA-OE1 3.48Å; G222-E224 VanDerWaalsContact C-OE2 3.32Å; G222-E224 VanDerWaalsContact CA-OE2 3.24Å; G222-E224 WeakPolarHBondContact CA-OE2 3.33Å; G222-E224 VanDerWaalsContact N-CD 3.27Å; G222-E224 PolarHBondContact N-OE1 3.21Å; G222-E224 VanDerWaalsContact N-OE1 3.15Å; G222-E224 PolarHBondContact N-OE2 2.79Å; E224-D226 VanDerWaalsContact C-N 3.26Å; E224-D226 PolarHBondContact O-N 2.92Å; E224-G228 WeakPolarHBondContact O-CA 3.4Å; E224-G228 PolarHBondContact O-N 3.48Å; E224-N229 HydrophobicContact CB-CB 4.17Å; E224-N229 HydrophobicContact CG-CB 3.76Å
225K98.6Very high98.1Very high158 Ų15850.8 Ų50.869%0.68725%0.253SS*.Hα-helixtrans-60-36.9174.7-177.1-172.7173.7-1690112.1G201 G203 F223G201-K225 CarbonylContact C-O 3.57Å; G201-K225 VanDerWaalsContact CA-O 3.31Å; G201-K225 WeakPolarHBondContact CA-O 3.3Å; G203-K225 WeakPolarHBondContact CA-O 3.23Å; G203-K225 PolarHBondContact N-O 3.12Å; F223-K225 PolarHBondContact O-N 2.89Å; F223-K225 VanDerWaalsContact O-N 3.13Å
226D98.6Very high98.1Very high20 Ų2050.6 Ų50.611%0.10725%0.252CS..Hα-helixtrans-96.5-45.4-173.1-71.7-24.9000111.8L197 G199 S200 G201 H202 G203 F223 E224L197-D226 VanDerWaalsContact O-CB 3.25Å; L197-D226 WeakPolarHBondContact O-CB 3.43Å; L197-D226 VanDerWaalsContact O-CG 3.24Å; G199-D226 WeakPolarHBondContact CA-OD1 3.4Å; G199-D226 VanDerWaalsContact N-CG 3.27Å; G199-D226 PolarHBondContact N-OD1 2.91Å; G199-D226 PolarHBondContact N-OD2 2.82Å; S200-D226 PolarHBondContact N-OD1 3.09Å; S200-D226 VanDerWaalsContact N-OD1 3.12Å; G201-D226 PolarHBondContact N-OD1 2.77Å; H202-D226 CarbonylContact C-O 3.52Å; H202-D226 WeakPolarHBondContact CB-O 3.46Å; G203-D226 PolarHBondContact N-O 3.34Å; G203-D226 VanDerWaalsContact N-O 3.09Å; F223-D226 PolarHBondContact O-N 3.46Å; E224-D226 VanDerWaalsContact C-N 3.26Å; E224-D226 PolarHBondContact O-N 2.92Å
227V98.6Very high98.2Very high0 Ų051.9 Ų51.90%026%0.255CS..Hα-helixtrans-107.4-4.2-171.5-45.30000114L197 R214 T220 F223 Y346L197-V227 HydrophobicContact CB-CG1 4.05Å; L197-V227 HydrophobicContact CD1-CG1 3.89Å; L197-V227 HydrophobicContact CG-CG1 4.39Å; R214-V227 VanDerWaalsContact CZ-O 3.25Å; R214-V227 PolarHBondContact NH1-O 2.81Å; R214-V227 PolarHBondContact NH2-O 3.08Å; T220-V227 HydrophobicContact CG2-CG2 4.47Å; F223-V227 HydrophobicContact CB-CG1 4.3Å; F223-V227 HydrophobicContact CB-CG2 3.9Å; F223-V227 PolarHBondContact O-N 2.89Å; V227-Y346 HydrophobicContact CB-CE2 4.44Å; V227-Y346 HydrophobicContact CG1-CD1 4.35Å; V227-Y346 HydrophobicContact CG1-CD2 3.9Å; V227-Y346 HydrophobicContact CG1-CE1 4.14Å; V227-Y346 HydrophobicContact CG1-CE2 3.69Å; V227-Y346 HydrophobicContact CG1-CG 4.24Å; V227-Y346 HydrophobicContact CG2-CE2 4.18Å
228G98.6Very high98.2Very high0 Ų047.3 Ų47.30%024%0.235CC..  trans78.1168.8-175.300000112.6G203 R214 E224G203-G228 WeakPolarHBondContact O-CA 3.18Å; R214-G228 PolarHBondContact NH2-O 2.96Å; E224-G228 WeakPolarHBondContact O-CA 3.4Å; E224-G228 PolarHBondContact O-N 3.48Å
229N97.9Very high98.2Very high94 Ų9447 Ų4750%0.50323%0.231SC..SBendtrans-114.9-9.4-17968.3-12.5000114N207 E224N207-N229 PolarHBondContact ND2-OD1 3.38Å; N207-N229 PolarHBondContact OD1-N 3.24Å; N207-N229 VanDerWaalsContact OD1-N 3.11Å; N207-N229 PolarHBondContact OD1-OD1 3.27Å; E224-N229 HydrophobicContact CB-CB 4.17Å; E224-N229 HydrophobicContact CG-CB 3.76Å
230R98.1Very high98.2Very high102 Ų10245.2 Ų45.239%0.38522%0.221SC..  trans-89.3148.7174.6-65.1176.563.8-128.2-10.4111.5N207 H209 I212 R214N207-R230 PolarHBondContact O-NH1 2.92Å; N207-R230 WeakPolarHBondContact OD1-CB 3.44Å; N207-R230 PolarHBondContact OD1-N 3.02Å; H209-R230 PolarHBondContact O-NH1 2.79Å; I212-R230 HydrophobicContact CD1-CB 3.51Å; I212-R230 WeakPolarHBondContact CG2-O 3.47Å; R214-R230 PolarHBondContact NE-O 2.68Å; R214-R230 PolarHBondContact NH2-O 3.06Å
231T98.6Very high98.2Very high24 Ų2444.3 Ų44.315%0.14722%0.216CC..  trans-139.8146.2168.2-50.50000107.6R214 H234 V248R214-T231 HydrophobicContact CB-CG2 4.15Å; R214-T231 VanDerWaalsContact CD-OG1 3.27Å; R214-T231 WeakPolarHBondContact CD-OG1 3.4Å; R214-T231 HydrophobicContact CG-CG2 3.99Å; R214-T231 PolarHBondContact NE-OG1 2.98Å; T231-H234 HydrophobicContact CG2-CB 4.44Å; T231-V248 HydrophobicContact CG2-CG1 3.86Å
232T98.4Very high98.2Very high23 Ų2336.4 Ų36.414%0.14119%0.189CC..SBendtrans-128.3-22.7172.875.30000113.6F211 I212 N249F211-T232 VanDerWaalsContact CA-OG1 3.3Å; F211-T232 WeakPolarHBondContact CA-OG1 3.36Å; I212-T232 PolarHBondContact N-OG1 3.33Å; I212-T232 PolarHBondContact O-N 2.85Å; T232-N249 PolarHBondContact O-N 2.67Å; T232-N249 PolarHBondContact O-ND2 2.82Å
233H98.7Very high98.2Very high14 Ų1437.9 Ų37.97%0.06518%0.183CC..EExtended strand (participates in β ladder)trans-138.3132.4172.6-60.682.4000109F211 I212 I213 R214 F235 N249 V251F211-H233 AromaticContact CD2-CE1 3.42Å; F211-H233 VanDerWaalsContact CD2-CE1 3.42Å; F211-H233 WeakPolarHBondContact CD2-CE1 3.4Å; F211-H233 AromaticContact CD2-ND1 3.94Å; F211-H233 AromaticContact CE2-CE1 3.51Å; F211-H233 AromaticContact CG-CE1 3.78Å; F211-H233 AromaticContact CZ-CE1 3.95Å; I212-H233 PolarHBondContact O-N 3.02Å; I212-H233 VanDerWaalsContact O-N 3.08Å; I213-H233 WeakPolarHBondContact CA-O 3.37Å; I213-H233 HydrophobicContact CG1-CB 4.02Å; R214-H233 PolarHBondContact N-O 3.33Å; H233-F235 HydrophobicContact CB-CE2 4.21Å; H233-N249 CarbonylContact C-O 3.42Å; H233-N249 WeakPolarHBondContact CA-O 3.39Å; H233-N249 PolarHBondContact NE2-ND2 3.25Å; H233-V251 HydrophobicContact CB-CG2 3.94Å
234H98.8Very high98.2Very high16 Ų1636.1 Ų36.17%0.07418%0.176CC..EExtended strand (participates in β ladder)trans-123.4111.8177.6-161.6101.9000111R214 N216 T231 V242 V244 V248 N249 V251R214-H234 CarbonylContact O-C 3.52Å; R214-H234 WeakPolarHBondContact O-CA 3.41Å; N216-H234 PolarHBondContact O-NE2 3.12Å; T231-H234 HydrophobicContact CG2-CB 4.44Å; H234-V242 WeakPolarHBondContact NE2-CG2 3.25Å; H234-V244 HydrophobicContact CB-CG2 4.34Å; H234-V248 HydrophobicContact CB-CG1 4.41Å; H234-N249 PolarHBondContact N-O 3.13Å; H234-V251 PolarHBondContact O-N 2.83Å
235F98.8Very high98.1Very high0 Ų038.1 Ų38.10%019%0.186CC..EExtended strand (participates in β ladder)trans-83.5121.8-175.8-79.4-120.3000110.7I213 R214 M215 N216 H233 V251 L253 V293 A319 F322I213-F235 HydrophobicContact CB-CE2 4.45Å; I213-F235 HydrophobicContact CG1-CE2 4.16Å; I213-F235 HydrophobicContact CG2-CD2 3.62Å; I213-F235 HydrophobicContact CG2-CE2 3.56Å; I213-F235 HydrophobicContact CG2-CG 4.49Å; I213-F235 HydrophobicContact CG2-CZ 4.38Å; R214-F235 PolarHBondContact O-N 3.13Å; M215-F235 CarbonylContact C-O 3.57Å; M215-F235 VanDerWaalsContact CA-O 3.28Å; M215-F235 WeakPolarHBondContact CA-O 3.43Å; M215-F235 HydrophobicContact CB-CB 3.94Å; N216-F235 PolarHBondContact N-O 3.22Å; H233-F235 HydrophobicContact CB-CE2 4.21Å; F235-V251 CarbonylContact C-O 3.53Å; F235-V251 VanDerWaalsContact CA-O 3.31Å; F235-V251 WeakPolarHBondContact CA-O 3.31Å; F235-V251 HydrophobicContact CD1-CB 4.3Å; F235-V251 HydrophobicContact CD1-CG1 3.96Å; F235-V251 HydrophobicContact CD2-CB 3.76Å; F235-V251 HydrophobicContact CD2-CG1 4.15Å; F235-V251 HydrophobicContact CD2-CG2 4Å; F235-V251 HydrophobicContact CE1-CB 4.39Å; F235-V251 HydrophobicContact CE1-CG1 3.71Å; F235-V251 HydrophobicContact CE2-CB 3.85Å; F235-V251 HydrophobicContact CE2-CG1 3.91Å; F235-V251 HydrophobicContact CE2-CG2 3.78Å; F235-V251 HydrophobicContact CG-CB 3.99Å; F235-V251 HydrophobicContact CG-CG1 4.17Å; F235-V251 HydrophobicContact CZ-CB 4.18Å; F235-V251 HydrophobicContact CZ-CG1 3.69Å; F235-V251 HydrophobicContact CZ-CG2 4.34Å; F235-L253 HydrophobicContact CD1-CD1 4.27Å; F235-L253 HydrophobicContact CD1-CD2 3.98Å; F235-L253 HydrophobicContact CD1-CG 4.1Å; F235-L253 HydrophobicContact CE1-CD2 4.34Å; F235-V293 HydrophobicContact CE1-CG2 4.32Å; F235-A319 HydrophobicContact CD1-CB 4.23Å; F235-A319 HydrophobicContact CE1-CB 4.31Å; F235-F322 HydrophobicContact CE1-CB 4.19Å; F235-F322 HydrophobicContact CE1-CD1 4.4Å; F235-F322 HydrophobicContact CE1-CD2 4.28Å; F235-F322 HydrophobicContact CE1-CG 4.05Å; F235-F322 HydrophobicContact CZ-CB 4.17Å; F235-F322 AromaticContact CZ-CD1 3.62Å; F235-F322 HydrophobicContact CZ-CD1 3.62Å; F235-F322 HydrophobicContact CZ-CD2 4.17Å; F235-F322 AromaticContact CZ-CE1 3.99Å; F235-F322 HydrophobicContact CZ-CE1 3.99Å; F235-F322 HydrophobicContact CZ-CE2 4.5Å; F235-F322 AromaticContact CZ-CG 3.72Å; F235-F322 HydrophobicContact CZ-CG 3.72Å; F235-F322 HydrophobicContact CZ-CZ 4.42Å
236L98.4Very high98Very high0 Ų038.4 Ų38.40%019%0.189CC..EExtended strand (participates in β ladder)trans-145.7167.8-179.661.271.8000113.2A241 V242 V244 L250 V251 L252 L253 W262L236-A241 HydrophobicContact CD1-CB 4.5Å; L236-A241 HydrophobicContact CD2-CB 4.41Å; L236-V242 HydrophobicContact CD2-CG2 4.38Å; L236-V244 HydrophobicContact CD2-CG2 4.04Å; L236-L250 HydrophobicContact CD1-CD1 4.29Å; L236-L250 HydrophobicContact CD1-CD2 4Å; L236-L250 HydrophobicContact CD1-CG 4.17Å; L236-L250 HydrophobicContact CD2-CD1 4.03Å; L236-L250 HydrophobicContact CD2-CG 4.11Å; L236-L250 HydrophobicContact CG-CD1 4.49Å; L236-L250 HydrophobicContact CG-CD2 4.42Å; L236-L250 HydrophobicContact CG-CG 4.17Å; L236-V251 PolarHBondContact N-O 3.13Å; L236-L252 HydrophobicContact CD1-CD1 4.2Å; L236-L252 CarbonylContact O-C 3.51Å; L236-L252 WeakPolarHBondContact O-CA 3.21Å; L236-L253 PolarHBondContact O-N 3.43Å; L236-W262 HydrophobicContact CD1-CH2 4.06Å; L236-W262 HydrophobicContact CD1-CZ3 4.01Å
237Y98.5Very high97.9Very high53 Ų5339 Ų3921%0.20820%0.2CC..  trans-144.8162171.857.9-87.4000107.5N216 E239 S240 A241 L253 F255 T315N216-Y237 VanDerWaalsContact ND2-CE1 3.33Å; N216-Y237 WeakPolarHBondContact ND2-CE1 3.44Å; Y237-E239 VanDerWaalsContact C-N 3.29Å; Y237-E239 HydrophobicContact CD2-CB 4.18Å; Y237-E239 WeakPolarHBondContact CD2-OE2 3.43Å; Y237-E239 HydrophobicContact CE2-CB 4.05Å; Y237-E239 PolarHBondContact O-N 2.93Å; Y237-E239 VanDerWaalsContact O-N 3.09Å; Y237-S240 VanDerWaalsContact CZ-CB 3.49Å; Y237-S240 CarbonylContact O-C 3.25Å; Y237-S240 WeakPolarHBondContact O-CA 3.32Å; Y237-S240 PolarHBondContact O-N 3.3Å; Y237-A241 PolarHBondContact O-N 2.93Å; Y237-L253 WeakPolarHBondContact CB-O 3.48Å; Y237-F255 AromaticContact CD1-CE2 3.74Å; Y237-F255 HydrophobicContact CD1-CE2 3.74Å; Y237-F255 HydrophobicContact CD2-CD2 4.44Å; Y237-F255 HydrophobicContact CD2-CE2 4.39Å; Y237-F255 HydrophobicContact CE1-CE2 4.28Å; Y237-F255 HydrophobicContact CG-CD2 4.12Å; Y237-F255 AromaticContact CG-CE2 3.81Å; Y237-F255 HydrophobicContact CG-CE2 3.81Å; Y237-T315 WeakPolarHBondContact CE1-OG1 3.46Å
238P98.3Very high97.9Very high2 Ų239.6 Ų39.61%0.01320%0.203CC..G310 helixtrans-53.4-41.3-162.7-27.733.8000114.9S240 D259 W262 T275 V279P238-S240 VanDerWaalsContact C-N 3.3Å; P238-S240 PolarHBondContact O-N 2.91Å; P238-D259 HydrophobicContact CG-CB 3.91Å; P238-D259 VanDerWaalsContact CG-OD1 3.31Å; P238-D259 WeakPolarHBondContact CG-OD1 3.48Å; P238-W262 HydrophobicContact CB-CB 4.33Å; P238-W262 HydrophobicContact CB-CD2 3.56Å; P238-W262 HydrophobicContact CB-CE3 3.97Å; P238-W262 HydrophobicContact CB-CG 3.71Å; P238-W262 HydrophobicContact CB-CZ2 4.42Å; P238-W262 HydrophobicContact CG-CB 3.91Å; P238-W262 HydrophobicContact CG-CD2 3.55Å; P238-W262 HydrophobicContact CG-CE3 3.55Å; P238-W262 HydrophobicContact CG-CG 3.71Å; P238-W262 HydrophobicContact CG-CZ3 4.27Å; P238-T275 HydrophobicContact CB-CG2 4.16Å; P238-V279 HydrophobicContact CB-CB 4.21Å; P238-V279 HydrophobicContact CB-CG1 3.75Å; P238-V279 WeakPolarHBondContact O-CG1 3.34Å
239E97.4Very high97.8Very high13 Ų1341.4 Ų41.46%0.06121%0.213CC..G310 helixtrans-74.8-19.2-178.3-60.189.416600113.5K217 Y237 K256 T275 Y276 M277 V279K217-E239 PolarHBondContact NZ-O 3.26Å; Y237-E239 VanDerWaalsContact C-N 3.29Å; Y237-E239 HydrophobicContact CD2-CB 4.18Å; Y237-E239 WeakPolarHBondContact CD2-OE2 3.43Å; Y237-E239 HydrophobicContact CE2-CB 4.05Å; Y237-E239 PolarHBondContact O-N 2.93Å; Y237-E239 VanDerWaalsContact O-N 3.09Å; E239-K256 WeakPolarHBondContact OE1-CE 3.43Å; E239-K256 IonicContact OE1-NZ 2.57Å; E239-K256 PolarHBondContact OE1-NZ 3.13Å; E239-K256 IonicContact OE2-NZ 3.51Å; E239-K256 PolarHBondContact OE2-NZ 3.01Å; E239-T275 VanDerWaalsContact CD-OG1 3.27Å; E239-T275 WeakPolarHBondContact CG-OG1 3.18Å; E239-T275 WeakPolarHBondContact OE1-CB 3.47Å; E239-T275 PolarHBondContact OE1-OG1 2.8Å; E239-Y276 HydrophobicContact CG-CD1 4.35Å; E239-Y276 HydrophobicContact CG-CE1 3.63Å; E239-Y276 WeakPolarHBondContact OE1-CD1 3.47Å; E239-Y276 WeakPolarHBondContact OE1-CE1 3.46Å; E239-M277 HydrophobicContact CB-CG 4.09Å; E239-M277 HydrophobicContact CB-SD 3.78Å; E239-M277 HydrophobicContact CG-CG 3.55Å; E239-M277 HydrophobicContact CG-SD 3.9Å; E239-V279 HydrophobicContact CG-CG1 3.99Å
240S96.6Very high97.9Very high13 Ų1337 Ų379%0.09119%0.189CC..G310 helixtrans-110.66.4178.2-137.50000113.7N216 K217 Y237 P238N216-S240 WeakPolarHBondContact CB-OG 3.39Å; N216-S240 PolarHBondContact ND2-OG 3.44Å; K217-S240 WeakPolarHBondContact CG-O 3.3Å; Y237-S240 VanDerWaalsContact CZ-CB 3.49Å; Y237-S240 CarbonylContact O-C 3.25Å; Y237-S240 WeakPolarHBondContact O-CA 3.32Å; Y237-S240 PolarHBondContact O-N 3.3Å; P238-S240 VanDerWaalsContact C-N 3.3Å; P238-S240 PolarHBondContact O-N 2.91Å
241A97.5Very high97.9Very high9 Ų932.1 Ų32.17%0.07417%0.171CC..  trans-64.4146.2-171.900000114.2L236 Y237 W262 K280L236-A241 HydrophobicContact CD1-CB 4.5Å; L236-A241 HydrophobicContact CD2-CB 4.41Å; Y237-A241 PolarHBondContact O-N 2.93Å; A241-W262 HydrophobicContact CB-CH2 3.54Å; A241-W262 HydrophobicContact CB-CZ2 3.66Å; A241-K280 HydrophobicContact CB-CD 4.32Å
242V97.5Very high97.9Very high33 Ų3331 Ų3120%0.216%0.164CC..  trans-124.5174.4168.7-65.30000108.9K217 H234 L236K217-V242 HydrophobicContact CB-CG1 4.19Å; K217-V242 HydrophobicContact CG-CG1 3.92Å; H234-V242 WeakPolarHBondContact NE2-CG2 3.25Å; L236-V242 HydrophobicContact CD2-CG2 4.38Å
243D98.1Very high97.9Very high93 Ų9329.9 Ų29.950%0.49716%0.157SC..  trans-80.8140.6160.7-58.7-68.2000108.7K280 V283 G284D243-K280 VanDerWaalsContact OD1-CE 3.28Å; D243-K280 WeakPolarHBondContact OD1-CE 3.31Å; D243-K280 IonicContact OD1-NZ 3.6Å; D243-K280 PolarHBondContact OD1-NZ 3.41Å; D243-K280 IonicContact OD2-NZ 3.62Å; D243-K280 PolarHBondContact OD2-NZ 2.9Å; D243-V283 WeakPolarHBondContact OD1-CA 3.18Å; D243-G284 PolarHBondContact OD1-N 2.82Å
244V97.6Very high97.9Very high14 Ų1429.2 Ų29.29%0.08515%0.154CC..  trans-104.9133.7-176.7177.20000108.6H234 L236 V248 L250 G284 A285H234-V244 HydrophobicContact CB-CG2 4.34Å; L236-V244 HydrophobicContact CD2-CG2 4.04Å; V244-V248 HydrophobicContact CG1-CB 3.73Å; V244-V248 HydrophobicContact CG1-CG1 3.8Å; V244-L250 HydrophobicContact CG2-CB 4.2Å; V244-L250 HydrophobicContact CG2-CD1 4.04Å; V244-L250 HydrophobicContact CG2-CG 4.2Å; V244-G284 PolarHBondContact N-O 3.01Å; V244-A285 HydrophobicContact CB-CB 4.24Å
245E96.4Very high97.8Very high120 Ų12028.7 Ų28.756%0.56115%0.152SC*.  trans-64.7144-177.3-63.8-178.3155.400111.8G247 V248E245-G247 PolarHBondContact O-N 3.08Å; E245-V248 HydrophobicContact CB-CG2 4.05Å; E245-V248 WeakPolarHBondContact O-CB 3.36Å; E245-V248 PolarHBondContact O-N 3.49Å
246H97.3Very high97.6Very high163 Ų16329 Ų2976%0.75515%0.153SC*.THydrogen-bonded Turntrans-55.5132.7176.9179.463000110.4D286H246-D286 IonicContact CE1-OD1 3.49Å; H246-D286 IonicContact CE1-OD2 2.7Å; H246-D286 PolarHBondContact CE1-OD2 2.97Å; H246-D286 IonicContact CG-OD1 2.67Å; H246-D286 IonicContact CG-OD2 2.68Å; H246-D286 IonicContact ND1-OD1 3.83Å; H246-D286 PolarHBondContact ND1-OD1 2.82Å; H246-D286 IonicContact ND1-OD2 2.8Å; H246-D286 PolarHBondContact ND1-OD2 3.32Å
247G96.1Very high97.4Very high33 Ų3329.2 Ų29.234%0.3415%0.154SC..THydrogen-bonded Turntrans98.4-25-175.100000114.9E245 D286 K289E245-G247 PolarHBondContact O-N 3.08Å; G247-D286 PolarHBondContact N-OD2 2.8Å; G247-K289 WeakPolarHBondContact O-CD 3.47Å; G247-K289 PolarHBondContact O-NZ 2.72Å; G247-K289 VanDerWaalsContact O-NZ 3.11Å
248V97.9Very high97.3Very high12 Ų1229 Ų297%0.07316%0.156CC..SBendtrans-88.1140.1-175.2-178.10000110.9T231 H234 V244 E245 L250T231-V248 HydrophobicContact CG2-CG1 3.86Å; H234-V248 HydrophobicContact CB-CG1 4.41Å; V244-V248 HydrophobicContact CG1-CB 3.73Å; V244-V248 HydrophobicContact CG1-CG1 3.8Å; E245-V248 HydrophobicContact CB-CG2 4.05Å; E245-V248 WeakPolarHBondContact O-CB 3.36Å; E245-V248 PolarHBondContact O-N 3.49Å; V248-L250 PolarHBondContact O-N 2.84Å
249N98.1Very high97.3Very high38 Ų3828.9 Ų28.920%0.20316%0.155CC..EExtended strand (participates in β ladder)trans-77.5124.3176.8-58.2-86.8000111.1T232 H233 H234 K289T232-N249 PolarHBondContact O-N 2.67Å; T232-N249 PolarHBondContact O-ND2 2.82Å; H233-N249 CarbonylContact C-O 3.42Å; H233-N249 WeakPolarHBondContact CA-O 3.39Å; H233-N249 PolarHBondContact NE2-ND2 3.25Å; H234-N249 PolarHBondContact N-O 3.13Å; N249-K289 CarbonylContact C-O 3.59Å; N249-K289 VanDerWaalsContact CA-O 3.25Å; N249-K289 WeakPolarHBondContact CA-O 3.49Å
250L98.4Very high97.3Very high1 Ų128.3 Ų28.31%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-76.5124.9165.7-175.9156000108L236 V244 V248 L252 L263 V283 A285 K289 V290 L291L236-L250 HydrophobicContact CD1-CD1 4.29Å; L236-L250 HydrophobicContact CD1-CD2 4Å; L236-L250 HydrophobicContact CD1-CG 4.17Å; L236-L250 HydrophobicContact CD2-CD1 4.03Å; L236-L250 HydrophobicContact CD2-CG 4.11Å; L236-L250 HydrophobicContact CG-CD1 4.49Å; L236-L250 HydrophobicContact CG-CD2 4.42Å; L236-L250 HydrophobicContact CG-CG 4.17Å; V244-L250 HydrophobicContact CG2-CB 4.2Å; V244-L250 HydrophobicContact CG2-CD1 4.04Å; V244-L250 HydrophobicContact CG2-CG 4.2Å; V248-L250 PolarHBondContact O-N 2.84Å; L250-L252 HydrophobicContact CD2-CB 4.32Å; L250-L263 HydrophobicContact CD2-CD1 3.83Å; L250-V283 HydrophobicContact CD1-CG1 3.92Å; L250-A285 HydrophobicContact CB-CB 4.23Å; L250-A285 HydrophobicContact CD1-CB 3.69Å; L250-K289 PolarHBondContact N-O 3.27Å; L250-V290 HydrophobicContact CD2-CG1 4.03Å; L250-V290 WeakPolarHBondContact O-CA 3.42Å; L250-L291 PolarHBondContact O-N 3.17Å
251V98.6Very high97.3Very high0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-113.2107.5175.9-171.20000109.1H233 H234 F235 L236 L291 V293H233-V251 HydrophobicContact CB-CG2 3.94Å; H234-V251 PolarHBondContact O-N 2.83Å; F235-V251 CarbonylContact C-O 3.53Å; F235-V251 VanDerWaalsContact CA-O 3.31Å; F235-V251 WeakPolarHBondContact CA-O 3.31Å; F235-V251 HydrophobicContact CD1-CB 4.3Å; F235-V251 HydrophobicContact CD1-CG1 3.96Å; F235-V251 HydrophobicContact CD2-CB 3.76Å; F235-V251 HydrophobicContact CD2-CG1 4.15Å; F235-V251 HydrophobicContact CD2-CG2 4Å; F235-V251 HydrophobicContact CE1-CB 4.39Å; F235-V251 HydrophobicContact CE1-CG1 3.71Å; F235-V251 HydrophobicContact CE2-CB 3.85Å; F235-V251 HydrophobicContact CE2-CG1 3.91Å; F235-V251 HydrophobicContact CE2-CG2 3.78Å; F235-V251 HydrophobicContact CG-CB 3.99Å; F235-V251 HydrophobicContact CG-CG1 4.17Å; F235-V251 HydrophobicContact CZ-CB 4.18Å; F235-V251 HydrophobicContact CZ-CG1 3.69Å; F235-V251 HydrophobicContact CZ-CG2 4.34Å; L236-V251 PolarHBondContact N-O 3.13Å; V251-L291 WeakPolarHBondContact CA-O 3.4Å; V251-L291 HydrophobicContact CG1-CB 4.36Å; V251-L291 HydrophobicContact CG2-CB 4.27Å; V251-L291 HydrophobicContact CG2-CD1 4.36Å; V251-V293 HydrophobicContact CG1-CG2 3.81Å
252L98.8Very high97.4Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-78.9130.9177.7-177.270.7000110.7L236 L250 P254 L260 W262 L263 L291 V292 V293L236-L252 HydrophobicContact CD1-CD1 4.2Å; L236-L252 CarbonylContact O-C 3.51Å; L236-L252 WeakPolarHBondContact O-CA 3.21Å; L250-L252 HydrophobicContact CD2-CB 4.32Å; L252-P254 HydrophobicContact CD2-CB 4.25Å; L252-P254 HydrophobicContact CG-CB 4.47Å; L252-P254 VanDerWaalsContact O-CD 3.23Å; L252-P254 WeakPolarHBondContact O-CD 3.48Å; L252-L260 HydrophobicContact CD2-CD2 3.91Å; L252-W262 HydrophobicContact CD1-CE3 4.34Å; L252-W262 HydrophobicContact CD1-CZ3 4.07Å; L252-L263 HydrophobicContact CD2-CB 3.93Å; L252-L263 HydrophobicContact CD2-CD1 4.42Å; L252-L263 HydrophobicContact CD2-CD2 3.85Å; L252-L263 HydrophobicContact CD2-CG 4.28Å; L252-L291 PolarHBondContact N-O 3.24Å; L252-V292 HydrophobicContact CB-CG1 4.46Å; L252-V292 HydrophobicContact CB-CG2 4.16Å; L252-V292 HydrophobicContact CD2-CG1 4.23Å; L252-V292 HydrophobicContact CD2-CG2 4.32Å; L252-V293 PolarHBondContact O-N 2.55Å
253L98.7Very high97.4Very high0 Ų027 Ų270%014%0.141CC..  trans-9996.4161.5-66.3-177.5000109.6F235 L236 Y237 F255 V293 F298 T315 L318F235-L253 HydrophobicContact CD1-CD1 4.27Å; F235-L253 HydrophobicContact CD1-CD2 3.98Å; F235-L253 HydrophobicContact CD1-CG 4.1Å; F235-L253 HydrophobicContact CE1-CD2 4.34Å; L236-L253 PolarHBondContact O-N 3.43Å; Y237-L253 WeakPolarHBondContact CB-O 3.48Å; L253-F255 HydrophobicContact CB-CD2 4.39Å; L253-F255 HydrophobicContact CB-CE2 3.68Å; L253-F255 HydrophobicContact CB-CZ 4.11Å; L253-F255 HydrophobicContact CD1-CE2 4.4Å; L253-F255 HydrophobicContact CD1-CZ 4.21Å; L253-F255 VanDerWaalsContact O-CD2 3.3Å; L253-F255 WeakPolarHBondContact O-CD2 3.34Å; L253-F255 PolarHBondContact O-N 2.92Å; L253-V293 HydrophobicContact CD2-CB 3.86Å; L253-V293 HydrophobicContact CD2-CG1 4.25Å; L253-V293 HydrophobicContact CD2-CG2 3.59Å; L253-F298 HydrophobicContact CB-CE1 4.43Å; L253-F298 HydrophobicContact CB-CZ 4.05Å; L253-F298 HydrophobicContact CD2-CZ 4Å; L253-T315 HydrophobicContact CD1-CG2 3.71Å; L253-L318 HydrophobicContact CD1-CB 4.36Å; L253-L318 HydrophobicContact CD1-CD1 4.02Å; L253-L318 HydrophobicContact CD2-CB 4.29Å; L253-L318 HydrophobicContact CD2-CD1 4.27Å
254P97.6Very high97.4Very high0 Ų023.5 Ų23.50%012%0.123CC..  trans-81.5112177.534.6-36.7000110.2W148 L252 D259 L260 V292 V293 F298W148-P254 HydrophobicContact CZ2-CB 4.07Å; W148-P254 HydrophobicContact CZ2-CG 4.44Å; W148-P254 PolarHBondContact NE1-O 3.31Å; L252-P254 HydrophobicContact CD2-CB 4.25Å; L252-P254 HydrophobicContact CG-CB 4.47Å; L252-P254 VanDerWaalsContact O-CD 3.23Å; L252-P254 WeakPolarHBondContact O-CD 3.48Å; P254-D259 HydrophobicContact CB-CB 4.08Å; P254-L260 HydrophobicContact CB-CD2 3.68Å; P254-L260 HydrophobicContact CB-CG 4Å; P254-L260 HydrophobicContact CG-CD2 3.95Å; P254-V292 HydrophobicContact CG-CG1 3.97Å; P254-V293 WeakPolarHBondContact CG-O 3.41Å; P254-F298 HydrophobicContact CG-CE2 4.27Å; P254-F298 HydrophobicContact CG-CZ 4.44Å; P254-F298 WeakPolarHBondContact O-CZ 3.39Å
255F96.5Very high97.4Very high5 Ų522.9 Ų22.92%0.02212%0.119CC..SBendtrans-92.8-6173.8-63.1-86.8000112.7Y237 L253 D259 F298 Y312 L318Y237-F255 AromaticContact CD1-CE2 3.74Å; Y237-F255 HydrophobicContact CD1-CE2 3.74Å; Y237-F255 HydrophobicContact CD2-CD2 4.44Å; Y237-F255 HydrophobicContact CD2-CE2 4.39Å; Y237-F255 HydrophobicContact CE1-CE2 4.28Å; Y237-F255 HydrophobicContact CG-CD2 4.12Å; Y237-F255 AromaticContact CG-CE2 3.81Å; Y237-F255 HydrophobicContact CG-CE2 3.81Å; L253-F255 HydrophobicContact CB-CD2 4.39Å; L253-F255 HydrophobicContact CB-CE2 3.68Å; L253-F255 HydrophobicContact CB-CZ 4.11Å; L253-F255 HydrophobicContact CD1-CE2 4.4Å; L253-F255 HydrophobicContact CD1-CZ 4.21Å; L253-F255 VanDerWaalsContact O-CD2 3.3Å; L253-F255 WeakPolarHBondContact O-CD2 3.34Å; L253-F255 PolarHBondContact O-N 2.92Å; F255-D259 PolarHBondContact N-OD2 3.39Å; F255-F298 HydrophobicContact CD1-CD1 4.3Å; F255-F298 AromaticContact CD1-CE1 3.85Å; F255-F298 HydrophobicContact CD1-CE1 3.85Å; F255-F298 HydrophobicContact CE1-CD1 4.19Å; F255-F298 AromaticContact CE1-CE1 3.67Å; F255-F298 HydrophobicContact CE1-CE1 3.67Å; F255-F298 HydrophobicContact CG-CE1 4.4Å; F255-F298 HydrophobicContact CZ-CE1 4.08Å; F255-Y312 AromaticContact CD1-CD2 3.63Å; F255-Y312 HydrophobicContact CD1-CD2 3.63Å; F255-Y312 AromaticContact CD1-CE2 3.44Å; F255-Y312 HydrophobicContact CD1-CE2 3.44Å; F255-Y312 VanDerWaalsContact CD1-CE2 3.44Å; F255-Y312 AromaticContact CE1-CD2 3.59Å; F255-Y312 HydrophobicContact CE1-CD2 3.59Å; F255-Y312 AromaticContact CE1-CE2 3.56Å; F255-Y312 HydrophobicContact CE1-CE2 3.56Å; F255-Y312 HydrophobicContact CG-CE2 4.37Å; F255-L318 HydrophobicContact CE1-CD1 3.96Å; F255-L318 HydrophobicContact CZ-CD1 3.96Å
256K95.4Very high97.5Very high7 Ų717.2 Ų17.23%0.039%0.093CC..SBendtrans-155.3158.2176.845.7-172.1175.1-54.30110.6Q152 E239 M258 D259Q152-K256 HydrophobicContact CB-CB 3.93Å; Q152-K256 HydrophobicContact CB-CD 4.11Å; Q152-K256 HydrophobicContact CB-CG 4.37Å; Q152-K256 WeakPolarHBondContact O-CB 3.47Å; E239-K256 WeakPolarHBondContact OE1-CE 3.43Å; E239-K256 IonicContact OE1-NZ 2.57Å; E239-K256 PolarHBondContact OE1-NZ 3.13Å; E239-K256 IonicContact OE2-NZ 3.51Å; E239-K256 PolarHBondContact OE2-NZ 3.01Å; K256-M258 HydrophobicContact CD-CB 4.35Å; K256-M258 HydrophobicContact CD-CE 4.21Å; K256-M258 HydrophobicContact CG-CB 4.37Å; K256-M258 PolarHBondContact O-N 2.92Å; K256-D259 WeakPolarHBondContact CE-OD1 3.25Å; K256-D259 HydrophobicContact CG-CB 4.39Å; K256-D259 WeakPolarHBondContact CG-OD1 3.36Å; K256-D259 VanDerWaalsContact CG-OD2 3.32Å; K256-D259 WeakPolarHBondContact CG-OD2 3.45Å; K256-D259 PolarHBondContact N-OD2 3.4Å; K256-D259 IonicContact NZ-OD1 3.24Å; K256-D259 PolarHBondContact NZ-OD1 2.79Å; K256-D259 IonicContact NZ-OD2 2.68Å; K256-D259 PolarHBondContact NZ-OD2 2.76Å; K256-D259 WeakPolarHBondContact O-CB 3.41Å; K256-D259 PolarHBondContact O-N 3.12Å
257L95.3Very high97.6Very high5 Ų59.8 Ų9.83%0.0266%0.059CC..Hα-helixtrans-53.3-39.5174-173.868000112.3W148 S154 Q158 L160 V163 D259 L260 E261W148-L257 HydrophobicContact CH2-CB 4.37Å; S154-L257 PolarHBondContact OG-N 3.35Å; Q158-L257 HydrophobicContact CB-CD2 3.96Å; Q158-L257 WeakPolarHBondContact O-CD2 3.17Å; L160-L257 HydrophobicContact CB-CD1 4.4Å; L160-L257 HydrophobicContact CD1-CD1 4.05Å; V163-L257 HydrophobicContact CB-CD1 3.8Å; V163-L257 HydrophobicContact CB-CG 4.43Å; V163-L257 HydrophobicContact CG1-CD1 4.18Å; V163-L257 HydrophobicContact CG2-CD1 3.76Å; V163-L257 HydrophobicContact CG2-CD2 4.12Å; V163-L257 HydrophobicContact CG2-CG 3.91Å; L257-D259 PolarHBondContact O-N 3.27Å; L257-D259 VanDerWaalsContact O-N 3.15Å; L257-L260 HydrophobicContact CD1-CD1 4.39Å; L257-L260 WeakPolarHBondContact O-CB 3.29Å; L257-L260 PolarHBondContact O-N 2.99Å; L257-L260 VanDerWaalsContact O-N 3.15Å; L257-E261 PolarHBondContact O-N 3.45Å
258M96.1Very high97.6Very high48 Ų4810 Ų1024%0.2366%0.056CC..Hα-helixtrans-63.8-16178.7-165.8169.260.900114.2S154 K256 W262 T275S154-M258 PolarHBondContact OG-N 3.45Å; K256-M258 HydrophobicContact CD-CB 4.35Å; K256-M258 HydrophobicContact CD-CE 4.21Å; K256-M258 HydrophobicContact CG-CB 4.37Å; K256-M258 PolarHBondContact O-N 2.92Å; M258-W262 WeakPolarHBondContact O-CB 3.5Å; M258-W262 PolarHBondContact O-N 2.88Å; M258-T275 HydrophobicContact CE-CG2 3.99Å
259D97.8Very high97.6Very high0 Ų013.7 Ų13.70%08%0.078CC..Hα-helixtrans-75.2-33.6175.6-61.2-18.5000111.6P238 P254 F255 K256 L257 W262 L263P238-D259 HydrophobicContact CG-CB 3.91Å; P238-D259 VanDerWaalsContact CG-OD1 3.31Å; P238-D259 WeakPolarHBondContact CG-OD1 3.48Å; P254-D259 HydrophobicContact CB-CB 4.08Å; F255-D259 PolarHBondContact N-OD2 3.39Å; K256-D259 WeakPolarHBondContact CE-OD1 3.25Å; K256-D259 HydrophobicContact CG-CB 4.39Å; K256-D259 WeakPolarHBondContact CG-OD1 3.36Å; K256-D259 VanDerWaalsContact CG-OD2 3.32Å; K256-D259 WeakPolarHBondContact CG-OD2 3.45Å; K256-D259 PolarHBondContact N-OD2 3.4Å; K256-D259 IonicContact NZ-OD1 3.24Å; K256-D259 PolarHBondContact NZ-OD1 2.79Å; K256-D259 IonicContact NZ-OD2 2.68Å; K256-D259 PolarHBondContact NZ-OD2 2.76Å; K256-D259 WeakPolarHBondContact O-CB 3.41Å; K256-D259 PolarHBondContact O-N 3.12Å; L257-D259 PolarHBondContact O-N 3.27Å; L257-D259 VanDerWaalsContact O-N 3.15Å; D259-W262 PolarHBondContact O-N 3.38Å; D259-L263 PolarHBondContact O-N 2.94Å
260L97.4Very high97.6Very high0 Ų012.1 Ų12.10%07%0.071CC..Hα-helixtrans-70.4-38.2172.8-56.4174.2000110.7L133 W148 L160 V163 M167 L252 P254 L257 L263 T264 V292L133-L260 HydrophobicContact CD2-CD2 4.48Å; W148-L260 HydrophobicContact CH2-CD1 4.39Å; L160-L260 HydrophobicContact CD1-CD1 3.47Å; L160-L260 VanDerWaalsContact CD1-CD1 3.47Å; V163-L260 HydrophobicContact CG1-CB 3.51Å; V163-L260 HydrophobicContact CG1-CD1 4.37Å; M167-L260 HydrophobicContact CE-CD2 4.48Å; M167-L260 HydrophobicContact SD-CB 4.13Å; M167-L260 HydrophobicContact SD-CD2 3.79Å; L252-L260 HydrophobicContact CD2-CD2 3.91Å; P254-L260 HydrophobicContact CB-CD2 3.68Å; P254-L260 HydrophobicContact CB-CG 4Å; P254-L260 HydrophobicContact CG-CD2 3.95Å; L257-L260 HydrophobicContact CD1-CD1 4.39Å; L257-L260 WeakPolarHBondContact O-CB 3.29Å; L257-L260 PolarHBondContact O-N 2.99Å; L257-L260 VanDerWaalsContact O-N 3.15Å; L260-L263 PolarHBondContact O-N 2.81Å; L260-T264 PolarHBondContact O-N 3.39Å; L260-T264 VanDerWaalsContact O-N 3.09Å; L260-T264 PolarHBondContact O-OG1 3.47Å; L260-V292 HydrophobicContact CD2-CG1 3.55Å
261E97.3Very high97.6Very high26 Ų2618.4 Ų18.412%0.12110%0.1CC..Hα-helixtrans-65.1-42171.5-59.2-170.49500111.4N156 Q158 V163 L257 T264 S265 I272N156-E261 PolarHBondContact ND2-OE1 3.47Å; N156-E261 PolarHBondContact ND2-OE2 2.98Å; Q158-E261 PolarHBondContact NE2-OE1 3.09Å; V163-E261 HydrophobicContact CB-CG 4.36Å; V163-E261 HydrophobicContact CG1-CG 3.57Å; V163-E261 HydrophobicContact CG2-CG 3.8Å; L257-E261 PolarHBondContact O-N 3.45Å; E261-T264 WeakPolarHBondContact O-CB 3.29Å; E261-T264 PolarHBondContact O-N 3.47Å; E261-S265 WeakPolarHBondContact O-CB 3.45Å; E261-S265 PolarHBondContact O-N 2.86Å; E261-I272 HydrophobicContact CB-CD1 3.73Å
262W98Very high97.5Very high1 Ų119.5 Ų19.50%0.00411%0.105CC..Hα-helixtrans-60.5-44.8174.817081.8000111.5L236 P238 A241 L252 M258 D259 T264 S265 A266 I272 K280 V283L236-W262 HydrophobicContact CD1-CH2 4.06Å; L236-W262 HydrophobicContact CD1-CZ3 4.01Å; P238-W262 HydrophobicContact CB-CB 4.33Å; P238-W262 HydrophobicContact CB-CD2 3.56Å; P238-W262 HydrophobicContact CB-CE3 3.97Å; P238-W262 HydrophobicContact CB-CG 3.71Å; P238-W262 HydrophobicContact CB-CZ2 4.42Å; P238-W262 HydrophobicContact CG-CB 3.91Å; P238-W262 HydrophobicContact CG-CD2 3.55Å; P238-W262 HydrophobicContact CG-CE3 3.55Å; P238-W262 HydrophobicContact CG-CG 3.71Å; P238-W262 HydrophobicContact CG-CZ3 4.27Å; A241-W262 HydrophobicContact CB-CH2 3.54Å; A241-W262 HydrophobicContact CB-CZ2 3.66Å; L252-W262 HydrophobicContact CD1-CE3 4.34Å; L252-W262 HydrophobicContact CD1-CZ3 4.07Å; M258-W262 WeakPolarHBondContact O-CB 3.5Å; M258-W262 PolarHBondContact O-N 2.88Å; D259-W262 PolarHBondContact O-N 3.38Å; W262-T264 VanDerWaalsContact C-N 3.34Å; W262-T264 PolarHBondContact O-N 3.14Å; W262-S265 CarbonylContact O-C 3.41Å; W262-S265 WeakPolarHBondContact O-CA 3.36Å; W262-S265 WeakPolarHBondContact O-CB 3.14Å; W262-S265 PolarHBondContact O-N 3.48Å; W262-S265 VanDerWaalsContact O-N 3.09Å; W262-A266 HydrophobicContact CD2-CB 4.33Å; W262-A266 HydrophobicContact CZ2-CB 4.04Å; W262-A266 WeakPolarHBondContact O-CB 3.49Å; W262-A266 PolarHBondContact O-N 3.06Å; W262-I272 HydrophobicContact CB-CG2 4.24Å; W262-K280 PolarHBondContact NE1-O 3.45Å; W262-V283 HydrophobicContact CH2-CG2 3.74Å; W262-V283 HydrophobicContact CZ2-CG2 3.59Å
263L98.4Very high97.4Very high1 Ų124 Ų241%0.00513%0.125CC..Hα-helixtrans-58-48.8176.4-175.475.6000111.1M167 I171 L250 L252 D259 L260 S265 A266 L267 V290 V292M167-L263 HydrophobicContact CG-CD2 4Å; M167-L263 HydrophobicContact SD-CD2 3.69Å; I171-L263 HydrophobicContact CD1-CD2 4.24Å; I171-L263 HydrophobicContact CG2-CD2 4.46Å; L250-L263 HydrophobicContact CD2-CD1 3.83Å; L252-L263 HydrophobicContact CD2-CB 3.93Å; L252-L263 HydrophobicContact CD2-CD1 4.42Å; L252-L263 HydrophobicContact CD2-CD2 3.85Å; L252-L263 HydrophobicContact CD2-CG 4.28Å; D259-L263 PolarHBondContact O-N 2.94Å; L260-L263 PolarHBondContact O-N 2.81Å; L263-S265 VanDerWaalsContact C-N 3.25Å; L263-S265 PolarHBondContact O-N 2.89Å; L263-A266 PolarHBondContact O-N 3.43Å; L263-L267 HydrophobicContact CD1-CD1 3.9Å; L263-L267 HydrophobicContact CD1-CG 4.48Å; L263-L267 HydrophobicContact CG-CD1 4.08Å; L263-L267 WeakPolarHBondContact O-CB 3.33Å; L263-L267 WeakPolarHBondContact O-CG 3.14Å; L263-L267 PolarHBondContact O-N 3.23Å; L263-V290 HydrophobicContact CD1-CG1 4.11Å; L263-V290 HydrophobicContact CD2-CG1 3.79Å; L263-V290 HydrophobicContact CG-CG1 4.43Å; L263-V292 HydrophobicContact CD2-CG2 3.77Å
264T97.9Very high97.3Very high20 Ų2029.2 Ų29.212%0.12315%0.151CC..Hα-helixtrans-56.1-42.5175.2-50.90000110.8K166 M167 V170 L260 E261 W262 S268K166-T264 HydrophobicContact CB-CG2 4.3Å; M167-T264 VanDerWaalsContact CA-OG1 3.31Å; M167-T264 WeakPolarHBondContact CA-OG1 3.48Å; M167-T264 WeakPolarHBondContact CB-OG1 3.38Å; V170-T264 HydrophobicContact CB-CG2 4.46Å; V170-T264 HydrophobicContact CG2-CG2 3.8Å; L260-T264 PolarHBondContact O-N 3.39Å; L260-T264 VanDerWaalsContact O-N 3.09Å; L260-T264 PolarHBondContact O-OG1 3.47Å; E261-T264 WeakPolarHBondContact O-CB 3.29Å; E261-T264 PolarHBondContact O-N 3.47Å; W262-T264 VanDerWaalsContact C-N 3.34Å; W262-T264 PolarHBondContact O-N 3.14Å; T264-S268 VanDerWaalsContact O-CB 3.32Å; T264-S268 WeakPolarHBondContact O-CB 3.46Å; T264-S268 PolarHBondContact O-OG 3.18Å
265S98.3Very high97.1Very high0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-69.3-55.3179.6-159.70000112.4E261 W262 L263 L267 S268 T269 G270 H271 I272E261-S265 WeakPolarHBondContact O-CB 3.45Å; E261-S265 PolarHBondContact O-N 2.86Å; W262-S265 CarbonylContact O-C 3.41Å; W262-S265 WeakPolarHBondContact O-CA 3.36Å; W262-S265 WeakPolarHBondContact O-CB 3.14Å; W262-S265 PolarHBondContact O-N 3.48Å; W262-S265 VanDerWaalsContact O-N 3.09Å; L263-S265 VanDerWaalsContact C-N 3.25Å; L263-S265 PolarHBondContact O-N 2.89Å; S265-L267 VanDerWaalsContact C-N 3.29Å; S265-L267 PolarHBondContact O-N 3.27Å; S265-S268 PolarHBondContact O-N 2.93Å; S265-S268 PolarHBondContact O-OG 3.25Å; S265-T269 PolarHBondContact O-N 2.75Å; S265-G270 PolarHBondContact O-N 3.48Å; S265-H271 PolarHBondContact OG-CE1 3Å; S265-H271 VanDerWaalsContact OG-CG 3.25Å; S265-H271 PolarHBondContact OG-N 3.18Å; S265-H271 PolarHBondContact OG-ND1 2.95Å; S265-I272 PolarHBondContact OG-N 3.24Å
266A98.5Very high96.9Very high2 Ų237.7 Ų37.72%0.01719%0.186CC..Hα-helixtrans-63.8-30.8-172.400000113.5W262 L263 D281 R282 V283W262-A266 HydrophobicContact CD2-CB 4.33Å; W262-A266 HydrophobicContact CZ2-CB 4.04Å; W262-A266 WeakPolarHBondContact O-CB 3.49Å; W262-A266 PolarHBondContact O-N 3.06Å; L263-A266 PolarHBondContact O-N 3.43Å; A266-D281 WeakPolarHBondContact CA-O 3.45Å; A266-R282 WeakPolarHBondContact O-CA 3.25Å; A266-R282 PolarHBondContact O-NE 2.92Å; A266-V283 HydrophobicContact CB-CB 4.4Å; A266-V283 HydrophobicContact CB-CG2 4.11Å; A266-V283 PolarHBondContact O-N 2.94Å
267L98.2Very high96.8Very high7 Ų741 Ų414%0.03720%0.203CC..THydrogen-bonded Turntrans-85.8-12.2175.9-60.5179.3000113.6V170 I171 L263 S265 V283 A285 R287 V290V170-L267 HydrophobicContact CG1-CB 3.85Å; I171-L267 HydrophobicContact CG2-CD1 3.67Å; L263-L267 HydrophobicContact CD1-CD1 3.9Å; L263-L267 HydrophobicContact CD1-CG 4.48Å; L263-L267 HydrophobicContact CG-CD1 4.08Å; L263-L267 WeakPolarHBondContact O-CB 3.33Å; L263-L267 WeakPolarHBondContact O-CG 3.14Å; L263-L267 PolarHBondContact O-N 3.23Å; S265-L267 VanDerWaalsContact C-N 3.29Å; S265-L267 PolarHBondContact O-N 3.27Å; L267-V283 HydrophobicContact CD2-CB 4.33Å; L267-V283 HydrophobicContact CD2-CG1 4.44Å; L267-A285 HydrophobicContact CD2-CB 4.09Å; L267-R287 PolarHBondContact O-NE 3.24Å; L267-R287 VanDerWaalsContact O-NE 3.11Å; L267-R287 PolarHBondContact O-NH2 2.85Å; L267-V290 HydrophobicContact CD1-CG2 3.88Å
268S97.6Very high97Very high38 Ų3849.7 Ų49.727%0.26624%0.235SC..THydrogen-bonded Turntrans-119.3-62.1-176.167.90000114.8T264 S265 R282T264-S268 VanDerWaalsContact O-CB 3.32Å; T264-S268 WeakPolarHBondContact O-CB 3.46Å; T264-S268 PolarHBondContact O-OG 3.18Å; S265-S268 PolarHBondContact O-N 2.93Å; S265-S268 PolarHBondContact O-OG 3.25Å; S268-R282 PolarHBondContact O-NH1 2.02Å; S268-R282 PolarHBondContact O-NH2 3.4Å
269T97.8Very high97.1Very high89 Ų8948 Ų4855%0.54623%0.227SC..THydrogen-bonded Turntrans-125-35.4-160.345.80000112.6S265 H271S265-T269 PolarHBondContact O-N 2.75Å; T269-H271 PolarHBondContact OG1-ND1 3.5Å
270G97.6Very high97.1Very high5 Ų550.7 Ų50.75%0.05224%0.239CC..  trans69.141.8179.100000114.7S265 K273 D281S265-G270 PolarHBondContact O-N 3.48Å; G270-K273 WeakPolarHBondContact O-CE 3.25Å; G270-D281 WeakPolarHBondContact CA-O 3.42Å
271H97.6Very high97.1Very high132 Ų13253.2 Ų53.261%0.61125%0.253SS*.  trans-86.9-27.8176.164.1-94.8000113S265 T269 K273S265-H271 PolarHBondContact OG-CE1 3Å; S265-H271 VanDerWaalsContact OG-CG 3.25Å; S265-H271 PolarHBondContact OG-N 3.18Å; S265-H271 PolarHBondContact OG-ND1 2.95Å; T269-H271 PolarHBondContact OG1-ND1 3.5Å; H271-K273 PolarHBondContact O-N 2.76Å
272I96.6Very high97.1Very high23 Ų2357.6 Ų57.612%0.11827%0.268CS..  trans-84.2103.2175.6-59-175.9000109.3E261 W262 S265E261-I272 HydrophobicContact CB-CD1 3.73Å; W262-I272 HydrophobicContact CB-CG2 4.24Å; S265-I272 PolarHBondContact OG-N 3.24Å
273K97.3Very high97.1Very high96 Ų9658.2 Ų58.242%0.41727%0.272SS..  trans-110.2-7.8-179.7-41.9-154.8178.8-147.50113.7G270 H271 V279 D281G270-K273 WeakPolarHBondContact O-CE 3.25Å; H271-K273 PolarHBondContact O-N 2.76Å; K273-V279 PolarHBondContact O-N 3.24Å; K273-D281 HydrophobicContact CB-CB 4.28Å; K273-D281 HydrophobicContact CD-CB 3.77Å; K273-D281 WeakPolarHBondContact CE-OD2 3.35Å; K273-D281 HydrophobicContact CG-CB 3.71Å; K273-D281 IonicContact NZ-OD2 2.71Å; K273-D281 PolarHBondContact NZ-OD2 3.45Å
274M95.5Very high97.1Very high109 Ų10959.9 Ų59.954%0.53729%0.289SS..BIsolated β-bridgetrans-138.6139.7-176.1-67.6-64.1-5900110.3M277 R278M274-M277 CarbonylContact C-O 3.55Å; M274-M277 WeakPolarHBondContact CA-O 3.43Å; M274-R278 VanDerWaalsContact SD-CA 3.53Å; M274-R278 HydrophobicContact SD-CB 3.74Å; M274-R278 HydrophobicContact SD-CG 4.15Å
275T93.3Very high97.1Very high23 Ų2360 Ų6014%0.14129%0.292CS..SBendtrans-112.7-121159.464.70000107.7P238 E239 M258 M277 V279P238-T275 HydrophobicContact CB-CG2 4.16Å; E239-T275 VanDerWaalsContact CD-OG1 3.27Å; E239-T275 WeakPolarHBondContact CG-OG1 3.18Å; E239-T275 WeakPolarHBondContact OE1-CB 3.47Å; E239-T275 PolarHBondContact OE1-OG1 2.8Å; M258-T275 HydrophobicContact CE-CG2 3.99Å; T275-M277 PolarHBondContact N-O 3.18Å; T275-M277 PolarHBondContact OG1-N 2.96Å; T275-M277 PolarHBondContact OG1-O 3.04Å; T275-V279 HydrophobicContact CG2-CG1 3.78Å; T275-V279 HydrophobicContact CG2-CG2 4.39Å
276Y92.4Very high97Very high160 Ų16061.1 Ų61.163%0.62730%0.298SS*.SBendtrans-73.6-15.6159.269.7-95.2000112.3E239E239-Y276 HydrophobicContact CG-CD1 4.35Å; E239-Y276 HydrophobicContact CG-CE1 3.63Å; E239-Y276 WeakPolarHBondContact OE1-CD1 3.47Å; E239-Y276 WeakPolarHBondContact OE1-CE1 3.46Å
277M95.1Very high96.9Very high76 Ų7666.8 Ų66.837%0.37432%0.319SS..SBendtrans-140.317417561.5176.6-78.900110.9E239 M274 T275E239-M277 HydrophobicContact CB-CG 4.09Å; E239-M277 HydrophobicContact CB-SD 3.78Å; E239-M277 HydrophobicContact CG-CG 3.55Å; E239-M277 HydrophobicContact CG-SD 3.9Å; M274-M277 CarbonylContact C-O 3.55Å; M274-M277 WeakPolarHBondContact CA-O 3.43Å; T275-M277 PolarHBondContact N-O 3.18Å; T275-M277 PolarHBondContact OG1-N 2.96Å; T275-M277 PolarHBondContact OG1-O 3.04Å
278R97.6Very high96.8Very high188 Ų18871.3 Ų71.371%0.70934%0.343SS*.BIsolated β-bridgetrans-70.1134.3176.8-171.1174.1178.8169.6-1.8110.8M274M274-R278 VanDerWaalsContact SD-CA 3.53Å; M274-R278 HydrophobicContact SD-CB 3.74Å; M274-R278 HydrophobicContact SD-CG 4.15Å
279V98.1Very high96.7Very high11 Ų1172.6 Ų72.67%0.06734%0.344CS..  trans-119.3165.8179.1-620000110.9P238 E239 K273 T275 D281P238-V279 HydrophobicContact CB-CB 4.21Å; P238-V279 HydrophobicContact CB-CG1 3.75Å; P238-V279 WeakPolarHBondContact O-CG1 3.34Å; E239-V279 HydrophobicContact CG-CG1 3.99Å; K273-V279 PolarHBondContact O-N 3.24Å; T275-V279 HydrophobicContact CG2-CG1 3.78Å; T275-V279 HydrophobicContact CG2-CG2 4.39Å; V279-D281 PolarHBondContact O-N 3.09Å
280K98Very high96.7Very high58 Ų5868.5 Ų68.525%0.25232%0.319SS..  trans-62.6125.4170.1-83.7174.958.371.70108.7A241 D243 W262 R282 V283A241-K280 HydrophobicContact CB-CD 4.32Å; D243-K280 VanDerWaalsContact OD1-CE 3.28Å; D243-K280 WeakPolarHBondContact OD1-CE 3.31Å; D243-K280 IonicContact OD1-NZ 3.6Å; D243-K280 PolarHBondContact OD1-NZ 3.41Å; D243-K280 IonicContact OD2-NZ 3.62Å; D243-K280 PolarHBondContact OD2-NZ 2.9Å; W262-K280 PolarHBondContact NE1-O 3.45Å; K280-R282 WeakPolarHBondContact CE-O 3.3Å; K280-R282 PolarHBondContact NZ-O 2.86Å; K280-V283 HydrophobicContact CB-CG2 4.2Å; K280-V283 HydrophobicContact CD-CG2 4.49Å
281D97.6Very high96.7Very high53 Ų5369.2 Ų69.228%0.28332%0.321SS..SBendtrans-84.1-21.4176.560.8-16.3000112.2A266 G270 K273 V279A266-D281 WeakPolarHBondContact CA-O 3.45Å; G270-D281 WeakPolarHBondContact CA-O 3.42Å; K273-D281 HydrophobicContact CB-CB 4.28Å; K273-D281 HydrophobicContact CD-CB 3.77Å; K273-D281 WeakPolarHBondContact CE-OD2 3.35Å; K273-D281 HydrophobicContact CG-CB 3.71Å; K273-D281 IonicContact NZ-OD2 2.71Å; K273-D281 PolarHBondContact NZ-OD2 3.45Å; V279-D281 PolarHBondContact O-N 3.09Å
282R98Very high96.7Very high118 Ų11863 Ų6345%0.44529%0.293SS..  trans-130.7144.9164.5-59.6-63-69.1-128.93.9110.8A266 S268 K280A266-R282 WeakPolarHBondContact O-CA 3.25Å; A266-R282 PolarHBondContact O-NE 2.92Å; S268-R282 PolarHBondContact O-NH1 2.02Å; S268-R282 PolarHBondContact O-NH2 3.4Å; K280-R282 WeakPolarHBondContact CE-O 3.3Å; K280-R282 PolarHBondContact NZ-O 2.86Å
283V97.9Very high96.8Very high13 Ų1362 Ų628%0.07929%0.288CS..  trans-125128.6173.5170.60000108.1D243 L250 W262 A266 L267 K280 A285D243-V283 WeakPolarHBondContact OD1-CA 3.18Å; L250-V283 HydrophobicContact CD1-CG1 3.92Å; W262-V283 HydrophobicContact CH2-CG2 3.74Å; W262-V283 HydrophobicContact CZ2-CG2 3.59Å; A266-V283 HydrophobicContact CB-CB 4.4Å; A266-V283 HydrophobicContact CB-CG2 4.11Å; A266-V283 PolarHBondContact O-N 2.94Å; L267-V283 HydrophobicContact CD2-CB 4.33Å; L267-V283 HydrophobicContact CD2-CG1 4.44Å; K280-V283 HydrophobicContact CB-CG2 4.2Å; K280-V283 HydrophobicContact CD-CG2 4.49Å; V283-A285 HydrophobicContact CG1-CB 4.17Å
284G97.9Very high96.8Very high36 Ų3657.6 Ų57.637%0.37127%0.269SS..  trans-73.3119161.500000109.3D243 V244D243-G284 PolarHBondContact OD1-N 2.82Å; V244-G284 PolarHBondContact N-O 3.01Å
285A97.6Very high96.8Very high22 Ų2252.4 Ų52.418%0.18224%0.243CC..  trans-165.1152.7171.400000109.3V244 L250 L267 V283 R287V244-A285 HydrophobicContact CB-CB 4.24Å; L250-A285 HydrophobicContact CB-CB 4.23Å; L250-A285 HydrophobicContact CD1-CB 3.69Å; L267-A285 HydrophobicContact CD2-CB 4.09Å; V283-A285 HydrophobicContact CG1-CB 4.17Å; A285-R287 PolarHBondContact O-N 3.05Å
286D97.4Very high96.9Very high24 Ų2451.9 Ų51.913%0.12824%0.24CC..  trans-72.9118.8174.1-65.3-17.8000109.8H246 G247 D288 K289 V290H246-D286 IonicContact CE1-OD1 3.49Å; H246-D286 IonicContact CE1-OD2 2.7Å; H246-D286 PolarHBondContact CE1-OD2 2.97Å; H246-D286 IonicContact CG-OD1 2.67Å; H246-D286 IonicContact CG-OD2 2.68Å; H246-D286 IonicContact ND1-OD1 3.83Å; H246-D286 PolarHBondContact ND1-OD1 2.82Å; H246-D286 IonicContact ND1-OD2 2.8Å; H246-D286 PolarHBondContact ND1-OD2 3.32Å; G247-D286 PolarHBondContact N-OD2 2.8Å; D286-D288 PolarHBondContact O-N 3.44Å; D286-K289 HydrophobicContact CB-CB 3.99Å; D286-K289 HydrophobicContact CB-CD 4.18Å; D286-K289 HydrophobicContact CB-CG 4.07Å; D286-K289 CarbonylContact O-C 3.58Å; D286-K289 PolarHBondContact O-N 2.7Å; D286-V290 WeakPolarHBondContact O-CG2 3.5Å
287R96Very high97.2Very high122 Ų12244.3 Ų44.346%0.4621%0.21SC..THydrogen-bonded Turntrans-65.9-22.3-176-70.4176178.7167.41.2113.6V170 I171 S172 L267 A285 K289V170-R287 WeakPolarHBondContact O-CD 3.05Å; I171-R287 WeakPolarHBondContact CA-O 3.49Å; S172-R287 PolarHBondContact N-O 3.12Å; L267-R287 PolarHBondContact O-NE 3.24Å; L267-R287 VanDerWaalsContact O-NE 3.11Å; L267-R287 PolarHBondContact O-NH2 2.85Å; A285-R287 PolarHBondContact O-N 3.05Å; R287-K289 VanDerWaalsContact C-N 3.34Å
288D95.6Very high97.4Very high101 Ų10140.7 Ų40.754%0.5419%0.192SC..THydrogen-bonded Turntrans-82-9.8173.557.4-63.1000113.4S172 D286S172-D288 WeakPolarHBondContact OG-CA 3.33Å; D286-D288 PolarHBondContact O-N 3.44Å
289K96.3Very high97.4Very high65 Ų6533.8 Ų33.828%0.28317%0.168SC..SBendtrans-120.542.4-179.8-57.1-174.7172.6175.70112.2G247 N249 L250 D286 R287G247-K289 WeakPolarHBondContact O-CD 3.47Å; G247-K289 PolarHBondContact O-NZ 2.72Å; G247-K289 VanDerWaalsContact O-NZ 3.11Å; N249-K289 CarbonylContact C-O 3.59Å; N249-K289 VanDerWaalsContact CA-O 3.25Å; N249-K289 WeakPolarHBondContact CA-O 3.49Å; L250-K289 PolarHBondContact N-O 3.27Å; D286-K289 HydrophobicContact CB-CB 3.99Å; D286-K289 HydrophobicContact CB-CD 4.18Å; D286-K289 HydrophobicContact CB-CG 4.07Å; D286-K289 CarbonylContact O-C 3.58Å; D286-K289 PolarHBondContact O-N 2.7Å; R287-K289 VanDerWaalsContact C-N 3.34Å
290V97.6Very high97.4Very high3 Ų333.7 Ų33.72%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-107.4116.8174.3-176.30000109.7I171 L250 L263 L267 D286 V292I171-V290 HydrophobicContact CB-CB 4.04Å; I171-V290 HydrophobicContact CB-CG1 4.48Å; I171-V290 HydrophobicContact CB-CG2 4.39Å; I171-V290 HydrophobicContact CD1-CB 4.09Å; I171-V290 HydrophobicContact CD1-CG1 3.84Å; I171-V290 HydrophobicContact CG2-CB 3.84Å; I171-V290 HydrophobicContact CG2-CG1 3.99Å; I171-V290 HydrophobicContact CG2-CG2 3.85Å; L250-V290 HydrophobicContact CD2-CG1 4.03Å; L250-V290 WeakPolarHBondContact O-CA 3.42Å; L263-V290 HydrophobicContact CD1-CG1 4.11Å; L263-V290 HydrophobicContact CD2-CG1 3.79Å; L263-V290 HydrophobicContact CG-CG1 4.43Å; L267-V290 HydrophobicContact CD1-CG2 3.88Å; D286-V290 WeakPolarHBondContact O-CG2 3.5Å; V290-V292 HydrophobicContact CG1-CG2 4.41Å
291L97.5Very high97.4Very high20 Ų2030.9 Ų30.911%0.10515%0.154CC..EExtended strand (participates in β ladder)trans-102.1147.5167.4-54.9-178.7000108.8I132 P174 L250 V251 L252I132-L291 HydrophobicContact CD1-CD1 4.17Å; I132-L291 HydrophobicContact CD1-CD2 4.44Å; I132-L291 HydrophobicContact CG2-CD2 4.44Å; P174-L291 HydrophobicContact CB-CD2 3.85Å; L250-L291 PolarHBondContact O-N 3.17Å; V251-L291 WeakPolarHBondContact CA-O 3.4Å; V251-L291 HydrophobicContact CG1-CB 4.36Å; V251-L291 HydrophobicContact CG2-CB 4.27Å; V251-L291 HydrophobicContact CG2-CD1 4.36Å; L252-L291 PolarHBondContact N-O 3.24Å
292V98.1Very high97.4Very high3 Ų329.1 Ų29.12%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-126127.5174.8178.10000107.3L133 M167 I171 L252 P254 L260 L263 V290L133-V292 HydrophobicContact CB-CB 4.09Å; L133-V292 HydrophobicContact CB-CG1 4.15Å; L133-V292 WeakPolarHBondContact CB-O 3.49Å; L133-V292 HydrophobicContact CD2-CB 4.27Å; L133-V292 HydrophobicContact CD2-CG1 3.71Å; L133-V292 PolarHBondContact N-O 3.16Å; M167-V292 HydrophobicContact CE-CG2 3.96Å; M167-V292 HydrophobicContact SD-CG2 3.95Å; I171-V292 HydrophobicContact CD1-CG2 4.15Å; L252-V292 HydrophobicContact CB-CG1 4.46Å; L252-V292 HydrophobicContact CB-CG2 4.16Å; L252-V292 HydrophobicContact CD2-CG1 4.23Å; L252-V292 HydrophobicContact CD2-CG2 4.32Å; P254-V292 HydrophobicContact CG-CG1 3.97Å; L260-V292 HydrophobicContact CD2-CG1 3.55Å; L263-V292 HydrophobicContact CD2-CG2 3.77Å; V290-V292 HydrophobicContact CG1-CG2 4.41Å
293V97.9Very high97.5Very high2 Ų225.3 Ų25.31%0.01213%0.133CC..BIsolated β-bridgetrans-71.9132.8177.11770000109.6P131 F235 V251 L252 L253 P254 F297 F298 F322P131-V293 CarbonylContact O-C 3.52Å; P131-V293 VanDerWaalsContact O-CA 3.29Å; P131-V293 WeakPolarHBondContact O-CA 3.36Å; P131-V293 WeakPolarHBondContact O-CG1 2.96Å; F235-V293 HydrophobicContact CE1-CG2 4.32Å; V251-V293 HydrophobicContact CG1-CG2 3.81Å; L252-V293 PolarHBondContact O-N 2.55Å; L253-V293 HydrophobicContact CD2-CB 3.86Å; L253-V293 HydrophobicContact CD2-CG1 4.25Å; L253-V293 HydrophobicContact CD2-CG2 3.59Å; P254-V293 WeakPolarHBondContact CG-O 3.41Å; V293-F297 HydrophobicContact CG1-CB 4.47Å; V293-F297 HydrophobicContact CG1-CD1 4.03Å; V293-F298 HydrophobicContact CB-CE2 4.04Å; V293-F298 HydrophobicContact CB-CZ 4.48Å; V293-F298 HydrophobicContact CG1-CD2 4.22Å; V293-F298 HydrophobicContact CG1-CE2 3.68Å; V293-F298 HydrophobicContact CG1-CZ 4.33Å; V293-F322 HydrophobicContact CG2-CD2 3.82Å; V293-F322 HydrophobicContact CG2-CE2 3.93Å
294N96.8Very high97.5Very high2 Ų227.9 Ų27.91%0.01114%0.143CC..  trans-63124.3-175.9-178.3-2.9000111.1Q130 P131 F140 V296 F297 F298Q130-N294 WeakPolarHBondContact O-CB 2.99Å; Q130-N294 PolarHBondContact O-ND2 2.91Å; P131-N294 PolarHBondContact O-N 2.98Å; F140-N294 WeakPolarHBondContact CE1-OD1 3.42Å; N294-V296 VanDerWaalsContact C-N 3.27Å; N294-V296 PolarHBondContact O-N 3.4Å; N294-V296 VanDerWaalsContact O-N 3.12Å; N294-V296 PolarHBondContact OD1-N 3.04Å; N294-F297 HydrophobicContact CB-CB 4.2Å; N294-F297 VanDerWaalsContact O-CB 3.24Å; N294-F297 WeakPolarHBondContact O-CB 3.38Å; N294-F297 PolarHBondContact O-N 3.15Å; N294-F298 WeakPolarHBondContact O-CD2 3.37Å
295P96Very high97.5Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-45.1-42.5178.4-36.640.7000115.8W148 L160 F297 F298W148-P295 HydrophobicContact CB-CB 4.46Å; W148-P295 HydrophobicContact CD2-CB 3.62Å; W148-P295 HydrophobicContact CD2-CG 4.28Å; W148-P295 HydrophobicContact CE3-CB 4.01Å; W148-P295 HydrophobicContact CE3-CG 4.48Å; W148-P295 HydrophobicContact CG-CB 3.79Å; W148-P295 HydrophobicContact CH2-CG 4.29Å; W148-P295 HydrophobicContact CZ2-CB 4.31Å; W148-P295 HydrophobicContact CZ2-CG 4.1Å; W148-P295 HydrophobicContact CZ3-CB 4.49Å; W148-P295 HydrophobicContact CZ3-CG 4.48Å; L160-P295 HydrophobicContact CD2-CG 4.36Å; P295-F297 VanDerWaalsContact C-N 3.32Å; P295-F297 PolarHBondContact O-N 2.97Å; P295-F298 WeakPolarHBondContact O-CB 3.27Å; P295-F298 PolarHBondContact O-N 3.11Å
296V96.6Very high97.5Very high12 Ų1225.1 Ų25.17%0.07312%0.117CC..Hα-helixtrans-75.5-20.4-178.5-58.10000113.3F140 A144 L145 N294 F298 K299 Y300F140-V296 HydrophobicContact CB-CG1 4.29Å; F140-V296 HydrophobicContact CD1-CG1 4.14Å; F140-V296 HydrophobicContact CD1-CG2 4.48Å; A144-V296 HydrophobicContact CB-CB 3.73Å; A144-V296 HydrophobicContact CB-CG1 3.64Å; L145-V296 HydrophobicContact CB-CG1 4.37Å; N294-V296 VanDerWaalsContact C-N 3.27Å; N294-V296 PolarHBondContact O-N 3.4Å; N294-V296 VanDerWaalsContact O-N 3.12Å; N294-V296 PolarHBondContact OD1-N 3.04Å; V296-F298 PolarHBondContact O-N 3.09Å; V296-K299 PolarHBondContact O-N 3.37Å; V296-K299 VanDerWaalsContact O-N 3.09Å; V296-Y300 PolarHBondContact O-N 2.94Å; V296-Y300 VanDerWaalsContact O-N 3.11Å
297F97.9Very high97.5Very high1 Ų127.6 Ų27.60%0.00413%0.128CC..Hα-helixtrans-64.6-29.5173.1-169.6-101.9000111.6Q129 P131 V293 N294 P295 K299 Y300 V301 I321 F322 H325Q129-F297 HydrophobicContact CB-CD2 4.18Å; Q129-F297 HydrophobicContact CB-CE2 4.07Å; P131-F297 HydrophobicContact CB-CD1 4.22Å; P131-F297 HydrophobicContact CB-CD2 3.97Å; P131-F297 HydrophobicContact CB-CE1 4.05Å; P131-F297 HydrophobicContact CB-CE2 3.78Å; P131-F297 HydrophobicContact CB-CG 4.18Å; P131-F297 HydrophobicContact CB-CZ 3.82Å; V293-F297 HydrophobicContact CG1-CB 4.47Å; V293-F297 HydrophobicContact CG1-CD1 4.03Å; N294-F297 HydrophobicContact CB-CB 4.2Å; N294-F297 VanDerWaalsContact O-CB 3.24Å; N294-F297 WeakPolarHBondContact O-CB 3.38Å; N294-F297 PolarHBondContact O-N 3.15Å; P295-F297 VanDerWaalsContact C-N 3.32Å; P295-F297 PolarHBondContact O-N 2.97Å; F297-K299 VanDerWaalsContact C-N 3.28Å; F297-K299 PolarHBondContact O-N 3.3Å; F297-Y300 AromaticContact CD2-CD1 3.7Å; F297-Y300 HydrophobicContact CD2-CD1 3.7Å; F297-Y300 HydrophobicContact CD2-CE1 4.38Å; F297-Y300 AromaticContact CE2-CD1 3.57Å; F297-Y300 HydrophobicContact CE2-CD1 3.57Å; F297-Y300 AromaticContact CE2-CE1 3.79Å; F297-Y300 HydrophobicContact CE2-CE1 3.79Å; F297-Y300 HydrophobicContact CG-CD1 4.46Å; F297-Y300 HydrophobicContact CZ-CD1 4.23Å; F297-Y300 HydrophobicContact CZ-CE1 4.31Å; F297-Y300 PolarHBondContact O-N 3.39Å; F297-V301 HydrophobicContact CD1-CG2 3.99Å; F297-V301 HydrophobicContact CE1-CG2 3.74Å; F297-V301 HydrophobicContact CZ-CG2 4.24Å; F297-V301 WeakPolarHBondContact O-CG2 3.37Å; F297-V301 PolarHBondContact O-N 3.11Å; F297-I321 HydrophobicContact CZ-CG2 3.99Å; F297-F322 HydrophobicContact CE1-CB 4.41Å; F297-H325 HydrophobicContact CE2-CB 4.49Å; F297-H325 AromaticContact CE2-CD2 3.91Å; F297-H325 HydrophobicContact CZ-CB 4.43Å; F297-H325 AromaticContact CZ-CD2 3.87Å
298F98.2Very high97.5Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-61-37.5172.7-70.6-110.5000111.8W147 L253 P254 F255 V293 N294 P295 V296 H302 L318W147-F298 HydrophobicContact CH2-CB 4.41Å; W147-F298 HydrophobicContact CZ3-CB 3.9Å; L253-F298 HydrophobicContact CB-CE1 4.43Å; L253-F298 HydrophobicContact CB-CZ 4.05Å; L253-F298 HydrophobicContact CD2-CZ 4Å; P254-F298 HydrophobicContact CG-CE2 4.27Å; P254-F298 HydrophobicContact CG-CZ 4.44Å; P254-F298 WeakPolarHBondContact O-CZ 3.39Å; F255-F298 HydrophobicContact CD1-CD1 4.3Å; F255-F298 AromaticContact CD1-CE1 3.85Å; F255-F298 HydrophobicContact CD1-CE1 3.85Å; F255-F298 HydrophobicContact CE1-CD1 4.19Å; F255-F298 AromaticContact CE1-CE1 3.67Å; F255-F298 HydrophobicContact CE1-CE1 3.67Å; F255-F298 HydrophobicContact CG-CE1 4.4Å; F255-F298 HydrophobicContact CZ-CE1 4.08Å; V293-F298 HydrophobicContact CB-CE2 4.04Å; V293-F298 HydrophobicContact CB-CZ 4.48Å; V293-F298 HydrophobicContact CG1-CD2 4.22Å; V293-F298 HydrophobicContact CG1-CE2 3.68Å; V293-F298 HydrophobicContact CG1-CZ 4.33Å; N294-F298 WeakPolarHBondContact O-CD2 3.37Å; P295-F298 WeakPolarHBondContact O-CB 3.27Å; P295-F298 PolarHBondContact O-N 3.11Å; V296-F298 PolarHBondContact O-N 3.09Å; F298-H302 VanDerWaalsContact O-CB 3.29Å; F298-H302 WeakPolarHBondContact O-CB 3.5Å; F298-H302 PolarHBondContact O-N 3.25Å; F298-L318 HydrophobicContact CD1-CD1 3.72Å; F298-L318 HydrophobicContact CD1-CD2 3.9Å; F298-L318 HydrophobicContact CE1-CD1 3.49Å; F298-L318 VanDerWaalsContact CE1-CD1 3.49Å; F298-L318 HydrophobicContact CE1-CD2 4.3Å; F298-L318 HydrophobicContact CG-CD2 4.23Å; F298-L318 HydrophobicContact CZ-CD1 4.37Å
299K97.9Very high97.5Very high44 Ų4426 Ų2619%0.19112%0.122CC..Hα-helixtrans-75.4-38.7176.6-160.6178.6-172.9-56.50111.7A144 W147 V296 F297 V301 H302 D303A144-K299 HydrophobicContact CB-CB 4.07Å; A144-K299 HydrophobicContact CB-CD 3.93Å; W147-K299 HydrophobicContact CB-CD 3.77Å; W147-K299 HydrophobicContact CD2-CB 4.11Å; W147-K299 HydrophobicContact CD2-CD 3.92Å; W147-K299 HydrophobicContact CD2-CG 3.78Å; W147-K299 HydrophobicContact CE3-CB 3.51Å; W147-K299 HydrophobicContact CE3-CD 4.12Å; W147-K299 HydrophobicContact CE3-CG 3.73Å; W147-K299 HydrophobicContact CG-CD 3.78Å; W147-K299 HydrophobicContact CG-CG 4.17Å; W147-K299 HydrophobicContact CH2-CB 4.46Å; W147-K299 HydrophobicContact CZ3-CB 3.71Å; W147-K299 HydrophobicContact CZ3-CG 4.17Å; V296-K299 PolarHBondContact O-N 3.37Å; V296-K299 VanDerWaalsContact O-N 3.09Å; F297-K299 VanDerWaalsContact C-N 3.28Å; F297-K299 PolarHBondContact O-N 3.3Å; K299-V301 VanDerWaalsContact C-N 3.3Å; K299-V301 PolarHBondContact O-N 3.31Å; K299-H302 WeakPolarHBondContact O-CB 3.48Å; K299-H302 PolarHBondContact O-N 2.84Å; K299-H302 VanDerWaalsContact O-N 3.08Å; K299-D303 WeakPolarHBondContact CG-OD1 3.4Å; K299-D303 WeakPolarHBondContact CG-OD2 3.24Å; K299-D303 IonicContact NZ-OD1 3.21Å; K299-D303 PolarHBondContact NZ-OD1 3.08Å; K299-D303 IonicContact NZ-OD2 2.92Å; K299-D303 PolarHBondContact NZ-OD2 3.09Å; K299-D303 WeakPolarHBondContact O-CB 3.44Å; K299-D303 PolarHBondContact O-N 2.94Å
300Y98.4Very high97.4Very high8 Ų825 Ų253%0.03113%0.13CC..Hα-helixtrans-55.3-45171.5165.1-108.7000112R124 Y125 I126 Q129 V296 F297 H304 W305 I321 H325R124-Y300 WeakPolarHBondContact O-CE2 3.44Å; R124-Y300 PolarHBondContact O-OH 2.7Å; Y125-Y300 WeakPolarHBondContact CA-OH 3.45Å; I126-Y300 HydrophobicContact CB-CE2 3.91Å; I126-Y300 HydrophobicContact CD1-CD2 4.27Å; I126-Y300 HydrophobicContact CD1-CE2 3.94Å; I126-Y300 HydrophobicContact CG1-CE2 3.93Å; I126-Y300 PolarHBondContact N-OH 3.2Å; I126-Y300 VanDerWaalsContact N-OH 3.16Å; Q129-Y300 HydrophobicContact CB-CD1 4.4Å; Q129-Y300 HydrophobicContact CB-CE1 4.37Å; Q129-Y300 HydrophobicContact CG-CD1 3.77Å; Q129-Y300 HydrophobicContact CG-CD2 3.88Å; Q129-Y300 HydrophobicContact CG-CE1 3.82Å; Q129-Y300 HydrophobicContact CG-CE2 3.97Å; Q129-Y300 HydrophobicContact CG-CG 3.8Å; V296-Y300 PolarHBondContact O-N 2.94Å; V296-Y300 VanDerWaalsContact O-N 3.11Å; F297-Y300 AromaticContact CD2-CD1 3.7Å; F297-Y300 HydrophobicContact CD2-CD1 3.7Å; F297-Y300 HydrophobicContact CD2-CE1 4.38Å; F297-Y300 AromaticContact CE2-CD1 3.57Å; F297-Y300 HydrophobicContact CE2-CD1 3.57Å; F297-Y300 AromaticContact CE2-CE1 3.79Å; F297-Y300 HydrophobicContact CE2-CE1 3.79Å; F297-Y300 HydrophobicContact CG-CD1 4.46Å; F297-Y300 HydrophobicContact CZ-CD1 4.23Å; F297-Y300 HydrophobicContact CZ-CE1 4.31Å; F297-Y300 PolarHBondContact O-N 3.39Å; Y300-H304 HydrophobicContact CD2-CB 4.22Å; Y300-H304 AromaticContact CD2-CD2 3.46Å; Y300-H304 VanDerWaalsContact CD2-CD2 3.46Å; Y300-H304 WeakPolarHBondContact CD2-CD2 3.37Å; Y300-H304 AromaticContact CD2-CG 3.94Å; Y300-H304 HydrophobicContact CE2-CB 3.9Å; Y300-H304 AromaticContact CE2-CD2 3.8Å; Y300-H304 AromaticContact CE2-CG 3.81Å; Y300-H304 WeakPolarHBondContact O-CB 3.35Å; Y300-H304 PolarHBondContact O-N 3Å; Y300-W305 AromaticContact CE1-NE1 3.55Å; Y300-W305 AromaticContact CZ-CD1 3.97Å; Y300-W305 AromaticContact CZ-NE1 3.24Å; Y300-W305 PolarHBondContact OH-NE1 2.78Å; Y300-I321 HydrophobicContact CE1-CG2 4.13Å; Y300-H325 AromaticContact CE1-NE2 3.42Å; Y300-H325 WeakPolarHBondContact CE1-NE2 2.97Å; Y300-H325 AromaticContact CZ-NE2 3.66Å; Y300-H325 PolarHBondContact OH-NE2 3.38Å; Y300-H325 VanDerWaalsContact OH-NE2 3.14Å
301V98.6Very high97.2Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-64.9-43.3172.8-179.70000111.5F297 K299 D303 W305 T306 P313 M317 L318 I321F297-V301 HydrophobicContact CD1-CG2 3.99Å; F297-V301 HydrophobicContact CE1-CG2 3.74Å; F297-V301 HydrophobicContact CZ-CG2 4.24Å; F297-V301 WeakPolarHBondContact O-CG2 3.37Å; F297-V301 PolarHBondContact O-N 3.11Å; K299-V301 VanDerWaalsContact C-N 3.3Å; K299-V301 PolarHBondContact O-N 3.31Å; V301-D303 PolarHBondContact O-N 3.16Å; V301-W305 HydrophobicContact CG1-CB 4.27Å; V301-W305 WeakPolarHBondContact O-CA 3.28Å; V301-W305 WeakPolarHBondContact O-CB 3.38Å; V301-W305 PolarHBondContact O-N 3.13Å; V301-W305 VanDerWaalsContact O-N 3.09Å; V301-T306 PolarHBondContact O-N 2.87Å; V301-P313 HydrophobicContact CB-CG 4.01Å; V301-P313 HydrophobicContact CG1-CB 3.74Å; V301-P313 HydrophobicContact CG1-CG 3.58Å; V301-M317 HydrophobicContact CG1-CG 3.9Å; V301-L318 HydrophobicContact CB-CD2 4.13Å; V301-L318 HydrophobicContact CG1-CD2 4.21Å; V301-L318 HydrophobicContact CG2-CD2 4.16Å; V301-I321 HydrophobicContact CG1-CB 4.47Å; V301-I321 HydrophobicContact CG1-CG1 4.01Å; V301-I321 HydrophobicContact CG2-CB 3.84Å; V301-I321 HydrophobicContact CG2-CG1 4.24Å; V301-I321 HydrophobicContact CG2-CG2 3.83Å
302H98.3Very high97.1Very high15 Ų1531.9 Ų31.97%0.06916%0.155CC..Hα-helixtrans-58.4-45.1179.3177.3-104.6000113.6W147 F298 K299 T306 E307 H308 P313W147-H302 AromaticContact CE2-ND1 3.89Å; W147-H302 HydrophobicContact CH2-CB 3.66Å; W147-H302 AromaticContact CH2-CG 3.88Å; W147-H302 HydrophobicContact CZ2-CB 3.69Å; W147-H302 AromaticContact CZ2-CD2 3.59Å; W147-H302 AromaticContact CZ2-CE1 3.89Å; W147-H302 AromaticContact CZ2-CG 3.35Å; W147-H302 AromaticContact CZ2-ND1 3.59Å; W147-H302 AromaticContact CZ2-NE2 3.89Å; W147-H302 AromaticContact NE1-CE1 3.83Å; W147-H302 AromaticContact NE1-ND1 3.98Å; F298-H302 VanDerWaalsContact O-CB 3.29Å; F298-H302 WeakPolarHBondContact O-CB 3.5Å; F298-H302 PolarHBondContact O-N 3.25Å; K299-H302 WeakPolarHBondContact O-CB 3.48Å; K299-H302 PolarHBondContact O-N 2.84Å; K299-H302 VanDerWaalsContact O-N 3.08Å; H302-T306 VanDerWaalsContact CA-OG1 3.25Å; H302-T306 WeakPolarHBondContact CA-OG1 3.35Å; H302-T306 CarbonylContact O-C 3.6Å; H302-T306 PolarHBondContact O-OG1 2.68Å; H302-E307 PolarHBondContact O-N 3.43Å; H302-E307 VanDerWaalsContact O-N 3.16Å; H302-H308 AromaticContact CE1-CG 3.82Å; H302-H308 AromaticContact CE1-ND1 3.27Å; H302-H308 PolarHBondContact CE1-ND1 3.3Å; H302-H308 VanDerWaalsContact CE1-ND1 3.27Å; H302-H308 AromaticContact ND1-ND1 3.3Å; H302-H308 PolarHBondContact ND1-ND1 3.27Å; H302-H308 PolarHBondContact O-N 2.83Å; H302-P313 HydrophobicContact CB-CG 4.07Å
303D98.3Very high97Very high39 Ų3931.8 Ų31.821%0.20915%0.154CC..Hα-helixtrans-82.4-54.5-173.9-60.1-10.5000111.7K299 V301 E307 H308K299-D303 WeakPolarHBondContact CG-OD1 3.4Å; K299-D303 WeakPolarHBondContact CG-OD2 3.24Å; K299-D303 IonicContact NZ-OD1 3.21Å; K299-D303 PolarHBondContact NZ-OD1 3.08Å; K299-D303 IonicContact NZ-OD2 2.92Å; K299-D303 PolarHBondContact NZ-OD2 3.09Å; K299-D303 WeakPolarHBondContact O-CB 3.44Å; K299-D303 PolarHBondContact O-N 2.94Å; V301-D303 PolarHBondContact O-N 3.16Å; D303-E307 WeakPolarHBondContact O-CA 3.14Å; D303-E307 PolarHBondContact O-N 2.94Å; D303-H308 IonicContact OD1-CE1 3.62Å; D303-H308 PolarHBondContact OD1-CE1 3.11Å; D303-H308 IonicContact OD1-ND1 2.77Å; D303-H308 PolarHBondContact OD1-ND1 3.24Å
304H98.4Very high97Very high66 Ų6632.6 Ų32.631%0.30616%0.16SC..Hα-helixtrans-85.1-23.5-171.6-67.8-95.7000113.8R124 Y300R124-H304 HydrophobicContact CB-CB 4.44Å; R124-H304 WeakPolarHBondContact CB-O 3.32Å; R124-H304 WeakPolarHBondContact CD-O 3.39Å; R124-H304 WeakPolarHBondContact CG-O 3.39Å; Y300-H304 HydrophobicContact CD2-CB 4.22Å; Y300-H304 AromaticContact CD2-CD2 3.46Å; Y300-H304 VanDerWaalsContact CD2-CD2 3.46Å; Y300-H304 WeakPolarHBondContact CD2-CD2 3.37Å; Y300-H304 AromaticContact CD2-CG 3.94Å; Y300-H304 HydrophobicContact CE2-CB 3.9Å; Y300-H304 AromaticContact CE2-CD2 3.8Å; Y300-H304 AromaticContact CE2-CG 3.81Å; Y300-H304 WeakPolarHBondContact O-CB 3.35Å; Y300-H304 PolarHBondContact O-N 3Å
305W98.4Very high97Very high0 Ų032.9 Ų32.90%016%0.162CC..THydrogen-bonded Turntrans-113.2-39.5-173.7-63.488.6000113.5W120 F121 R124 Y125 Y300 V301 I321 L324 V370 L374W120-W305 HydrophobicContact CH2-CZ3 4.18Å; W120-W305 HydrophobicContact CZ3-CZ3 4.28Å; F121-W305 AromaticContact CD2-CH2 3.72Å; F121-W305 HydrophobicContact CD2-CH2 3.72Å; F121-W305 HydrophobicContact CD2-CZ3 4.29Å; F121-W305 AromaticContact CE2-CH2 3.65Å; F121-W305 HydrophobicContact CE2-CH2 3.65Å; F121-W305 HydrophobicContact CE2-CZ3 4.45Å; F121-W305 HydrophobicContact CZ-CH2 4.48Å; R124-W305 HydrophobicContact CB-CD2 4.21Å; R124-W305 HydrophobicContact CB-CE3 4.26Å; R124-W305 HydrophobicContact CB-CH2 3.98Å; R124-W305 HydrophobicContact CB-CZ2 3.92Å; R124-W305 HydrophobicContact CB-CZ3 4.14Å; R124-W305 PolarHBondContact O-NE1 2.57Å; Y125-W305 HydrophobicContact CD2-CZ2 4.21Å; Y300-W305 AromaticContact CE1-NE1 3.55Å; Y300-W305 AromaticContact CZ-CD1 3.97Å; Y300-W305 AromaticContact CZ-NE1 3.24Å; Y300-W305 PolarHBondContact OH-NE1 2.78Å; V301-W305 HydrophobicContact CG1-CB 4.27Å; V301-W305 WeakPolarHBondContact O-CA 3.28Å; V301-W305 WeakPolarHBondContact O-CB 3.38Å; V301-W305 PolarHBondContact O-N 3.13Å; V301-W305 VanDerWaalsContact O-N 3.09Å; W305-I321 HydrophobicContact CB-CD1 4.24Å; W305-I321 HydrophobicContact CB-CG1 4.21Å; W305-I321 HydrophobicContact CD2-CD1 3.48Å; W305-I321 VanDerWaalsContact CD2-CD1 3.48Å; W305-I321 HydrophobicContact CD2-CG1 4.11Å; W305-I321 HydrophobicContact CD2-CG2 4.33Å; W305-I321 HydrophobicContact CE3-CD1 3.6Å; W305-I321 HydrophobicContact CG-CD1 3.79Å; W305-I321 HydrophobicContact CG-CG1 3.9Å; W305-I321 HydrophobicContact CG-CG2 4.25Å; W305-I321 HydrophobicContact CZ3-CD1 4.22Å; W305-L324 HydrophobicContact CH2-CD1 3.97Å; W305-L324 HydrophobicContact CZ2-CD1 4.32Å; W305-L324 HydrophobicContact CZ3-CD1 4.28Å; W305-V370 HydrophobicContact CE3-CG1 4.3Å; W305-V370 WeakPolarHBondContact O-CG2 3.41Å; W305-L374 HydrophobicContact CH2-CD2 4.29Å; W305-L374 HydrophobicContact CZ3-CD1 4.36Å; W305-L374 HydrophobicContact CZ3-CD2 3.83Å; W305-L374 HydrophobicContact CZ3-CG 4.29Å
306T97.8Very high97.1Very high0 Ų033.3 Ų33.30%017%0.166CC..SBendtrans-97.4-2.917461.30000114.1V301 H302 H308 H309 P313 M317 F366 E367V301-T306 PolarHBondContact O-N 2.87Å; H302-T306 VanDerWaalsContact CA-OG1 3.25Å; H302-T306 WeakPolarHBondContact CA-OG1 3.35Å; H302-T306 CarbonylContact O-C 3.6Å; H302-T306 PolarHBondContact O-OG1 2.68Å; T306-H308 PolarHBondContact O-N 2.84Å; T306-H308 VanDerWaalsContact O-N 3.11Å; T306-H309 VanDerWaalsContact O-CB 3.25Å; T306-H309 WeakPolarHBondContact O-CB 3.43Å; T306-H309 PolarHBondContact O-N 3.12Å; T306-H309 PolarHBondContact O-ND1 3.33Å; T306-P313 HydrophobicContact CG2-CB 4.1Å; T306-P313 HydrophobicContact CG2-CG 4.15Å; T306-M317 HydrophobicContact CG2-CG 3.94Å; T306-F366 VanDerWaalsContact C-CE1 3.48Å; T306-F366 WeakPolarHBondContact O-CD1 3.45Å; T306-F366 VanDerWaalsContact O-CE1 3.28Å; T306-F366 WeakPolarHBondContact O-CE1 3.48Å; T306-E367 HydrophobicContact CG2-CG 4.03Å
307E97.3Very high97.2Very high76 Ų7632.8 Ų32.836%0.35516%0.163SC..THydrogen-bonded Turntrans49.242.3177.5-63.5174-146.600112.5R124 H302 D303 H309 F366R124-E307 IonicContact CZ-OE1 3.36Å; R124-E307 IonicContact NE-OE1 3.19Å; R124-E307 PolarHBondContact NE-OE1 3.13Å; R124-E307 IonicContact NH2-OE1 2.69Å; R124-E307 PolarHBondContact NH2-OE1 3.23Å; H302-E307 PolarHBondContact O-N 3.43Å; H302-E307 VanDerWaalsContact O-N 3.16Å; D303-E307 WeakPolarHBondContact O-CA 3.14Å; D303-E307 PolarHBondContact O-N 2.94Å; E307-H309 PolarHBondContact O-N 2.92Å; E307-H309 PolarHBondContact O-ND1 3.42Å; E307-H309 VanDerWaalsContact O-ND1 3.16Å; E307-F366 HydrophobicContact CB-CE1 4.16Å; E307-F366 HydrophobicContact CB-CZ 3.91Å; E307-F366 HydrophobicContact CG-CE1 4.44Å; E307-F366 HydrophobicContact CG-CZ 4.16Å
308H96.5Very high97.2Very high111 Ų11132.8 Ų32.851%0.51416%0.163SC..THydrogen-bonded Turntrans61.115.4-175-39.4-52.2000116.7H302 D303 T306 G310H302-H308 AromaticContact CE1-CG 3.82Å; H302-H308 AromaticContact CE1-ND1 3.27Å; H302-H308 PolarHBondContact CE1-ND1 3.3Å; H302-H308 VanDerWaalsContact CE1-ND1 3.27Å; H302-H308 AromaticContact ND1-ND1 3.3Å; H302-H308 PolarHBondContact ND1-ND1 3.27Å; H302-H308 PolarHBondContact O-N 2.83Å; D303-H308 IonicContact OD1-CE1 3.62Å; D303-H308 PolarHBondContact OD1-CE1 3.11Å; D303-H308 IonicContact OD1-ND1 2.77Å; D303-H308 PolarHBondContact OD1-ND1 3.24Å; T306-H308 PolarHBondContact O-N 2.84Å; T306-H308 VanDerWaalsContact O-N 3.11Å; H308-G310 PolarHBondContact O-N 3.15Å; H308-G310 VanDerWaalsContact O-N 3.13Å
309H95.5Very high97.2Very high80 Ų8032.8 Ų32.837%0.3716%0.163SC..  trans-75.3101.7179.3-69.585.1000112.6T306 E307 S363 F366T306-H309 VanDerWaalsContact O-CB 3.25Å; T306-H309 WeakPolarHBondContact O-CB 3.43Å; T306-H309 PolarHBondContact O-N 3.12Å; T306-H309 PolarHBondContact O-ND1 3.33Å; E307-H309 PolarHBondContact O-N 2.92Å; E307-H309 PolarHBondContact O-ND1 3.42Å; E307-H309 VanDerWaalsContact O-ND1 3.16Å; H309-S363 WeakPolarHBondContact O-CB 3.17Å; H309-S363 PolarHBondContact O-N 2.62Å; H309-F366 HydrophobicContact CB-CB 3.96Å; H309-F366 HydrophobicContact CB-CD1 4.03Å; H309-F366 HydrophobicContact CB-CD2 4.45Å; H309-F366 HydrophobicContact CB-CG 3.88Å; H309-F366 AromaticContact CD2-CD2 3.93Å; H309-F366 AromaticContact CE1-CD2 3.69Å; H309-F366 AromaticContact CE1-CE2 3.41Å; H309-F366 VanDerWaalsContact CE1-CE2 3.41Å; H309-F366 WeakPolarHBondContact CE1-CE2 3.49Å; H309-F366 AromaticContact CE1-CZ 3.83Å; H309-F366 AromaticContact CG-CD2 3.75Å; H309-F366 AromaticContact CG-CG 3.68Å; H309-F366 AromaticContact ND1-CD1 3.84Å; H309-F366 AromaticContact ND1-CD2 3.6Å; H309-F366 AromaticContact ND1-CE1 3.77Å; H309-F366 AromaticContact ND1-CE2 3.51Å; H309-F366 AromaticContact ND1-CG 3.76Å; H309-F366 AromaticContact ND1-CZ 3.61Å; H309-F366 AromaticContact NE2-CD2 3.9Å
310G93.3Very high97.3Very high43 Ų4330.7 Ų30.744%0.44315%0.154SC..BIsolated β-bridgetrans116.4-154.9-177.900000110.8H308H308-G310 PolarHBondContact O-N 3.15Å; H308-G310 VanDerWaalsContact O-N 3.13Å
311R93.6Very high97.3Very high142 Ų14230.3 Ų30.354%0.53615%0.152SC..SBendtrans-103-32.7173.7-169.4-172.6168.61320.1112.1L151 V361L151-R311 PolarHBondContact O-NE 3.35Å; L151-R311 PolarHBondContact O-NH2 2.71Å; R311-V361 WeakPolarHBondContact CB-O 3.46Å; R311-V361 PolarHBondContact N-O 3.19Å
312Y95.2Very high97.3Very high26 Ų2630.7 Ų30.710%0.10215%0.154CC..SBendtrans-164.3161.4172.147.3-88.1000109L151 Q152 F255 V361 H362L151-Y312 HydrophobicContact CD1-CG 4.48Å; L151-Y312 HydrophobicContact CD2-CD1 3.93Å; L151-Y312 HydrophobicContact CD2-CG 4.33Å; Q152-Y312 PolarHBondContact NE2-OH 2.95Å; F255-Y312 AromaticContact CD1-CD2 3.63Å; F255-Y312 HydrophobicContact CD1-CD2 3.63Å; F255-Y312 AromaticContact CD1-CE2 3.44Å; F255-Y312 HydrophobicContact CD1-CE2 3.44Å; F255-Y312 VanDerWaalsContact CD1-CE2 3.44Å; F255-Y312 AromaticContact CE1-CD2 3.59Å; F255-Y312 HydrophobicContact CE1-CD2 3.59Å; F255-Y312 AromaticContact CE1-CE2 3.56Å; F255-Y312 HydrophobicContact CE1-CE2 3.56Å; F255-Y312 HydrophobicContact CG-CE2 4.37Å; Y312-V361 HydrophobicContact CD1-CG1 4.26Å; Y312-V361 HydrophobicContact CD2-CG1 4.49Å; Y312-V361 HydrophobicContact CE1-CG1 3.59Å; Y312-V361 HydrophobicContact CE2-CG1 3.88Å; Y312-V361 PolarHBondContact N-O 3.22Å; Y312-V361 WeakPolarHBondContact OH-CG1 3.49Å; Y312-H362 AromaticContact CD2-CE1 3.55Å; Y312-H362 AromaticContact CD2-ND1 3.99Å; Y312-H362 AromaticContact CE2-CE1 3.44Å; Y312-H362 VanDerWaalsContact CE2-CE1 3.44Å; Y312-H362 WeakPolarHBondContact CE2-CE1 3.43Å; Y312-H362 PolarHBondContact O-ND1 3.49Å
313P97Very high97.3Very high0 Ų030 Ų300%015%0.15CC..  trans-67.1153.1179.4-20.233.4000113.1V301 H302 T306 M317 L318 H362V301-P313 HydrophobicContact CB-CG 4.01Å; V301-P313 HydrophobicContact CG1-CB 3.74Å; V301-P313 HydrophobicContact CG1-CG 3.58Å; H302-P313 HydrophobicContact CB-CG 4.07Å; T306-P313 HydrophobicContact CG2-CB 4.1Å; T306-P313 HydrophobicContact CG2-CG 4.15Å; P313-M317 HydrophobicContact CB-CB 4.28Å; P313-M317 HydrophobicContact CB-CG 4.18Å; P313-L318 HydrophobicContact CB-CD2 4.24Å; P313-L318 HydrophobicContact CB-CG 4.13Å; P313-H362 PolarHBondContact O-CE1 2.92Å; P313-H362 PolarHBondContact O-ND1 3.09Å
314S96.9Very high97.2Very high20 Ų2028.1 Ų28.114%0.1414%0.141CC..  trans-72.1163.3176.482.70000113G316 M317 L318 H362 E367S314-G316 PolarHBondContact O-N 3.29Å; S314-G316 PolarHBondContact OG-N 2.83Å; S314-G316 VanDerWaalsContact OG-N 3.17Å; S314-M317 PolarHBondContact O-N 2.87Å; S314-M317 PolarHBondContact OG-N 2.87Å; S314-M317 VanDerWaalsContact OG-N 3.13Å; S314-L318 WeakPolarHBondContact O-CB 3.47Å; S314-L318 VanDerWaalsContact O-CG 3.25Å; S314-L318 WeakPolarHBondContact O-CG 3.39Å; S314-L318 PolarHBondContact O-N 3.05Å; S314-H362 PolarHBondContact N-ND1 3.42Å; S314-E367 WeakPolarHBondContact CB-OE1 3.25Å; S314-E367 WeakPolarHBondContact CB-OE2 3.29Å; S314-E367 PolarHBondContact N-OE1 3.1Å; S314-E367 PolarHBondContact OG-OE2 3.27Å
315T97.7Very high97.1Very high8 Ų826.3 Ų26.35%0.04913%0.132CC..Hα-helixtrans-53.8-36169.2-62.30000112.1M215 N216 Y237 L253 A319M215-T315 HydrophobicContact CB-CG2 3.72Å; M215-T315 HydrophobicContact CG-CG2 4.19Å; M215-T315 HydrophobicContact SD-CG2 4.12Å; N216-T315 WeakPolarHBondContact OD1-CG2 3.31Å; Y237-T315 WeakPolarHBondContact CE1-OG1 3.46Å; L253-T315 HydrophobicContact CD1-CG2 3.71Å; T315-A319 VanDerWaalsContact O-CB 3.29Å; T315-A319 WeakPolarHBondContact O-CB 3.41Å; T315-A319 PolarHBondContact O-N 2.86Å
316G97.7Very high96.9Very high9 Ų927.4 Ų27.49%0.09314%0.139CC..Hα-helixtrans-68.8-45.117900000112.6S314 A319 I320 Y335S314-G316 PolarHBondContact O-N 3.29Å; S314-G316 PolarHBondContact OG-N 2.83Å; S314-G316 VanDerWaalsContact OG-N 3.17Å; G316-A319 PolarHBondContact O-N 2.82Å; G316-I320 PolarHBondContact O-N 3.46Å; G316-I320 VanDerWaalsContact O-N 3.16Å; G316-Y335 WeakPolarHBondContact CA-OH 3.48Å; G316-Y335 PolarHBondContact O-OH 3Å
317M98.1Very high96.7Very high0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-67-45.4176.7-179.254.171.200111.3V301 T306 P313 S314 A319 I320 I321 E367 V370 I371V301-M317 HydrophobicContact CG1-CG 3.9Å; T306-M317 HydrophobicContact CG2-CG 3.94Å; P313-M317 HydrophobicContact CB-CB 4.28Å; P313-M317 HydrophobicContact CB-CG 4.18Å; S314-M317 PolarHBondContact O-N 2.87Å; S314-M317 PolarHBondContact OG-N 2.87Å; S314-M317 VanDerWaalsContact OG-N 3.13Å; M317-A319 VanDerWaalsContact C-N 3.27Å; M317-A319 PolarHBondContact O-N 2.86Å; M317-I320 PolarHBondContact O-N 2.77Å; M317-I320 VanDerWaalsContact O-N 3.15Å; M317-I321 HydrophobicContact CG-CG1 4.43Å; M317-I321 PolarHBondContact O-N 2.94Å; M317-I321 HydrophobicContact SD-CD1 3.89Å; M317-I321 HydrophobicContact SD-CG1 3.77Å; M317-E367 HydrophobicContact CB-CG 4.06Å; M317-E367 HydrophobicContact CE-CB 3.74Å; M317-E367 HydrophobicContact CE-CG 3.86Å; M317-E367 WeakPolarHBondContact CE-O 3.46Å; M317-E367 HydrophobicContact CG-CG 4.27Å; M317-V370 HydrophobicContact CE-CB 3.87Å; M317-V370 HydrophobicContact CE-CG1 3.74Å; M317-V370 HydrophobicContact SD-CG1 4.31Å; M317-I371 HydrophobicContact CE-CD1 4.25Å; M317-I371 HydrophobicContact CE-CG1 3.98Å
318L98.7Very high96.5Very high2 Ų226 Ų261%0.0113%0.134CC..Hα-helixtrans-56.7-40.4175.4-69.2165.6000112L253 F255 F298 V301 P313 S314 F322L253-L318 HydrophobicContact CD1-CB 4.36Å; L253-L318 HydrophobicContact CD1-CD1 4.02Å; L253-L318 HydrophobicContact CD2-CB 4.29Å; L253-L318 HydrophobicContact CD2-CD1 4.27Å; F255-L318 HydrophobicContact CE1-CD1 3.96Å; F255-L318 HydrophobicContact CZ-CD1 3.96Å; F298-L318 HydrophobicContact CD1-CD1 3.72Å; F298-L318 HydrophobicContact CD1-CD2 3.9Å; F298-L318 HydrophobicContact CE1-CD1 3.49Å; F298-L318 VanDerWaalsContact CE1-CD1 3.49Å; F298-L318 HydrophobicContact CE1-CD2 4.3Å; F298-L318 HydrophobicContact CG-CD2 4.23Å; F298-L318 HydrophobicContact CZ-CD1 4.37Å; V301-L318 HydrophobicContact CB-CD2 4.13Å; V301-L318 HydrophobicContact CG1-CD2 4.21Å; V301-L318 HydrophobicContact CG2-CD2 4.16Å; P313-L318 HydrophobicContact CB-CD2 4.24Å; P313-L318 HydrophobicContact CB-CG 4.13Å; S314-L318 WeakPolarHBondContact O-CB 3.47Å; S314-L318 VanDerWaalsContact O-CG 3.25Å; S314-L318 WeakPolarHBondContact O-CG 3.39Å; S314-L318 PolarHBondContact O-N 3.05Å; L318-F322 WeakPolarHBondContact O-CB 3.41Å; L318-F322 PolarHBondContact O-N 3.46Å
319A98.7Very high96.5Very high0 Ų021.5 Ų21.50%011%0.114CC..Hα-helixtrans-67.6-37.8177.300000113.2V190 I213 M215 F235 T315 G316 M317 A323V190-A319 HydrophobicContact CG1-CB 4.07Å; I213-A319 HydrophobicContact CG2-CB 4.17Å; M215-A319 HydrophobicContact CE-CB 3.65Å; F235-A319 HydrophobicContact CD1-CB 4.23Å; F235-A319 HydrophobicContact CE1-CB 4.31Å; T315-A319 VanDerWaalsContact O-CB 3.29Å; T315-A319 WeakPolarHBondContact O-CB 3.41Å; T315-A319 PolarHBondContact O-N 2.86Å; G316-A319 PolarHBondContact O-N 2.82Å; M317-A319 VanDerWaalsContact C-N 3.27Å; M317-A319 PolarHBondContact O-N 2.86Å; A319-A323 WeakPolarHBondContact O-CB 3.25Å; A319-A323 PolarHBondContact O-N 3.08Å
320I98.8Very high96.6Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-67.3-51.8175.2-69.1173.7000110.3V190 G316 M317 F322 A323 L324 V332 Y335 I371 L374V190-I320 HydrophobicContact CG1-CG1 4.07Å; G316-I320 PolarHBondContact O-N 3.46Å; G316-I320 VanDerWaalsContact O-N 3.16Å; M317-I320 PolarHBondContact O-N 2.77Å; M317-I320 VanDerWaalsContact O-N 3.15Å; I320-F322 VanDerWaalsContact C-N 3.32Å; I320-F322 PolarHBondContact O-N 2.8Å; I320-A323 CarbonylContact O-C 3.59Å; I320-A323 WeakPolarHBondContact O-CA 3.2Å; I320-A323 WeakPolarHBondContact O-CB 3.27Å; I320-A323 PolarHBondContact O-N 3.25Å; I320-L324 HydrophobicContact CG2-CG 4.49Å; I320-L324 WeakPolarHBondContact O-CG 3.35Å; I320-L324 PolarHBondContact O-N 3.32Å; I320-V332 HydrophobicContact CD1-CG1 3.8Å; I320-V332 HydrophobicContact CD1-CG2 4.03Å; I320-V332 HydrophobicContact CG1-CG1 4.48Å; I320-V332 HydrophobicContact CG1-CG2 4.12Å; I320-Y335 HydrophobicContact CD1-CD1 3.98Å; I320-Y335 HydrophobicContact CD1-CE1 3.45Å; I320-Y335 VanDerWaalsContact CD1-CE1 3.45Å; I320-Y335 HydrophobicContact CD1-CE2 4.19Å; I320-Y335 HydrophobicContact CG1-CE1 4.13Å; I320-Y335 WeakPolarHBondContact CG1-OH 3.37Å; I320-I371 HydrophobicContact CD1-CD1 3.6Å; I320-I371 HydrophobicContact CD1-CG1 3.69Å; I320-I371 HydrophobicContact CD1-CG2 4.46Å; I320-L374 HydrophobicContact CG2-CD1 4.08Å
321I98.6Very high96.9Very high0 Ų016.4 Ų16.40%08%0.08CC..Hα-helixtrans-68.1-33.7-177.4-49.3-52.8000111.2F297 Y300 V301 W305 M317 A323 L324 H325 L374F297-I321 HydrophobicContact CZ-CG2 3.99Å; Y300-I321 HydrophobicContact CE1-CG2 4.13Å; V301-I321 HydrophobicContact CG1-CB 4.47Å; V301-I321 HydrophobicContact CG1-CG1 4.01Å; V301-I321 HydrophobicContact CG2-CB 3.84Å; V301-I321 HydrophobicContact CG2-CG1 4.24Å; V301-I321 HydrophobicContact CG2-CG2 3.83Å; W305-I321 HydrophobicContact CB-CD1 4.24Å; W305-I321 HydrophobicContact CB-CG1 4.21Å; W305-I321 HydrophobicContact CD2-CD1 3.48Å; W305-I321 VanDerWaalsContact CD2-CD1 3.48Å; W305-I321 HydrophobicContact CD2-CG1 4.11Å; W305-I321 HydrophobicContact CD2-CG2 4.33Å; W305-I321 HydrophobicContact CE3-CD1 3.6Å; W305-I321 HydrophobicContact CG-CD1 3.79Å; W305-I321 HydrophobicContact CG-CG1 3.9Å; W305-I321 HydrophobicContact CG-CG2 4.25Å; W305-I321 HydrophobicContact CZ3-CD1 4.22Å; M317-I321 HydrophobicContact CG-CG1 4.43Å; M317-I321 PolarHBondContact O-N 2.94Å; M317-I321 HydrophobicContact SD-CD1 3.89Å; M317-I321 HydrophobicContact SD-CG1 3.77Å; I321-A323 VanDerWaalsContact C-N 3.31Å; I321-A323 PolarHBondContact O-N 3.19Å; I321-L324 HydrophobicContact CD1-CD1 3.68Å; I321-L324 PolarHBondContact O-N 3.19Å; I321-H325 PolarHBondContact O-CD2 3.27Å; I321-H325 VanDerWaalsContact O-CD2 3.32Å; I321-H325 PolarHBondContact O-N 3.06Å; I321-L374 HydrophobicContact CD1-CD1 4.31Å
322F98.5Very high97.1Very high7 Ų79.6 Ų9.63%0.0315%0.054CC..Hα-helixtrans-57.4-44.7168.1-177.4-76.7000111.4P131 I132 F235 V293 F297 L318 I320 H325 T326P131-F322 HydrophobicContact CB-CD2 3.74Å; P131-F322 HydrophobicContact CB-CE2 3.97Å; P131-F322 HydrophobicContact CB-CG 4.48Å; I132-F322 HydrophobicContact CD1-CZ 4.11Å; I132-F322 HydrophobicContact CG1-CE2 3.8Å; I132-F322 HydrophobicContact CG1-CZ 3.87Å; F235-F322 HydrophobicContact CE1-CB 4.19Å; F235-F322 HydrophobicContact CE1-CD1 4.4Å; F235-F322 HydrophobicContact CE1-CD2 4.28Å; F235-F322 HydrophobicContact CE1-CG 4.05Å; F235-F322 HydrophobicContact CZ-CB 4.17Å; F235-F322 AromaticContact CZ-CD1 3.62Å; F235-F322 HydrophobicContact CZ-CD1 3.62Å; F235-F322 HydrophobicContact CZ-CD2 4.17Å; F235-F322 AromaticContact CZ-CE1 3.99Å; F235-F322 HydrophobicContact CZ-CE1 3.99Å; F235-F322 HydrophobicContact CZ-CE2 4.5Å; F235-F322 AromaticContact CZ-CG 3.72Å; F235-F322 HydrophobicContact CZ-CG 3.72Å; F235-F322 HydrophobicContact CZ-CZ 4.42Å; V293-F322 HydrophobicContact CG2-CD2 3.82Å; V293-F322 HydrophobicContact CG2-CE2 3.93Å; F297-F322 HydrophobicContact CE1-CB 4.41Å; L318-F322 WeakPolarHBondContact O-CB 3.41Å; L318-F322 PolarHBondContact O-N 3.46Å; I320-F322 VanDerWaalsContact C-N 3.32Å; I320-F322 PolarHBondContact O-N 2.8Å; F322-H325 PolarHBondContact O-N 2.91Å; F322-T326 HydrophobicContact CD1-CG2 4.05Å; F322-T326 WeakPolarHBondContact CD1-OG1 3.23Å; F322-T326 HydrophobicContact CE1-CG2 3.7Å; F322-T326 WeakPolarHBondContact CE1-OG1 3.45Å; F322-T326 HydrophobicContact CZ-CG2 3.99Å; F322-T326 WeakPolarHBondContact O-CB 3.4Å; F322-T326 WeakPolarHBondContact O-CG2 3.35Å; F322-T326 PolarHBondContact O-N 3.27Å; F322-T326 VanDerWaalsContact O-N 3.12Å; F322-T326 PolarHBondContact O-OG1 3.29Å
323A98.1Very high97.3Very high0 Ų08.4 Ų8.40%05%0.049CC..Hα-helixtrans-64.2-40.1177.400000111.8V190 I213 A319 I320 I321 H325 T326 C327 V330V190-A323 HydrophobicContact CG2-CB 3.63Å; I213-A323 HydrophobicContact CD1-CB 3.88Å; A319-A323 WeakPolarHBondContact O-CB 3.25Å; A319-A323 PolarHBondContact O-N 3.08Å; I320-A323 CarbonylContact O-C 3.59Å; I320-A323 WeakPolarHBondContact O-CA 3.2Å; I320-A323 WeakPolarHBondContact O-CB 3.27Å; I320-A323 PolarHBondContact O-N 3.25Å; I321-A323 VanDerWaalsContact C-N 3.31Å; I321-A323 PolarHBondContact O-N 3.19Å; A323-H325 PolarHBondContact O-N 3.4Å; A323-T326 PolarHBondContact O-N 3.14Å; A323-T326 VanDerWaalsContact O-N 3.08Å; A323-C327 WeakPolarHBondContact O-CB 3.4Å; A323-C327 PolarHBondContact O-N 3.29Å; A323-C327 PolarHBondContact O-SG 3.35Å; A323-V330 HydrophobicContact CB-CG1 4.31Å; A323-V330 HydrophobicContact CB-CG2 3.66Å
324L97.4Very high97.3Very high1 Ų18.5 Ų8.51%0.0055%0.051CC..Hα-helixtrans-58.3-33.9174.7-63.2179.8000112.9I112 F121 Y125 W305 I320 I321 L374 I380I112-L324 HydrophobicContact CD1-CD2 3.87Å; I112-L324 HydrophobicContact CG1-CD2 4.27Å; I112-L324 HydrophobicContact CG2-CB 4.15Å; I112-L324 HydrophobicContact CG2-CD2 3.96Å; I112-L324 WeakPolarHBondContact CG2-O 3.33Å; F121-L324 HydrophobicContact CE2-CD1 4.23Å; Y125-L324 HydrophobicContact CE2-CB 4.27Å; Y125-L324 PolarHBondContact OH-O 2.98Å; W305-L324 HydrophobicContact CH2-CD1 3.97Å; W305-L324 HydrophobicContact CZ2-CD1 4.32Å; W305-L324 HydrophobicContact CZ3-CD1 4.28Å; I320-L324 HydrophobicContact CG2-CG 4.49Å; I320-L324 WeakPolarHBondContact O-CG 3.35Å; I320-L324 PolarHBondContact O-N 3.32Å; I321-L324 HydrophobicContact CD1-CD1 3.68Å; I321-L324 PolarHBondContact O-N 3.19Å; L324-L374 HydrophobicContact CD1-CD1 4.08Å; L324-L374 HydrophobicContact CD1-CD2 3.82Å; L324-I380 HydrophobicContact CD2-CG2 3.93Å
325H95.6Very high97.2Very high28 Ų288.6 Ų8.613%0.135%0.048CC..THydrogen-bonded Turntrans-89.8-2.5178.1-77.6-84.3000114.5Y125 I126 P131 F297 Y300 I321 F322 A323Y125-H325 AromaticContact CD2-CE1 3.76Å; Y125-H325 AromaticContact CD2-NE2 3.6Å; Y125-H325 AromaticContact CE2-CD2 3.85Å; Y125-H325 AromaticContact CE2-CE1 3.39Å; Y125-H325 WeakPolarHBondContact CE2-CE1 3.43Å; Y125-H325 AromaticContact CE2-ND1 3.76Å; Y125-H325 AromaticContact CE2-NE2 3.47Å; Y125-H325 WeakPolarHBondContact CE2-NE2 3.13Å; Y125-H325 AromaticContact CZ-CE1 3.69Å; Y125-H325 AromaticContact CZ-ND1 3.83Å; I126-H325 PolarHBondContact O-CE1 2.97Å; P131-H325 HydrophobicContact CG-CB 4.07Å; F297-H325 HydrophobicContact CE2-CB 4.49Å; F297-H325 AromaticContact CE2-CD2 3.91Å; F297-H325 HydrophobicContact CZ-CB 4.43Å; F297-H325 AromaticContact CZ-CD2 3.87Å; Y300-H325 AromaticContact CE1-NE2 3.42Å; Y300-H325 WeakPolarHBondContact CE1-NE2 2.97Å; Y300-H325 AromaticContact CZ-NE2 3.66Å; Y300-H325 PolarHBondContact OH-NE2 3.38Å; Y300-H325 VanDerWaalsContact OH-NE2 3.14Å; I321-H325 PolarHBondContact O-CD2 3.27Å; I321-H325 VanDerWaalsContact O-CD2 3.32Å; I321-H325 PolarHBondContact O-N 3.06Å; F322-H325 PolarHBondContact O-N 2.91Å; A323-H325 PolarHBondContact O-N 3.4Å
326T93.6Very high96.8Very high23 Ų239 Ų914%0.1415%0.053CC..THydrogen-bonded Turntrans-132.90.5-175.858.80000114.7P131 R186 F322 A323P131-T326 HydrophobicContact CG-CG2 3.81Å; R186-T326 WeakPolarHBondContact CD-O 3.33Å; R186-T326 PolarHBondContact NH1-O 3.49Å; F322-T326 HydrophobicContact CD1-CG2 4.05Å; F322-T326 WeakPolarHBondContact CD1-OG1 3.23Å; F322-T326 HydrophobicContact CE1-CG2 3.7Å; F322-T326 WeakPolarHBondContact CE1-OG1 3.45Å; F322-T326 HydrophobicContact CZ-CG2 3.99Å; F322-T326 WeakPolarHBondContact O-CB 3.4Å; F322-T326 WeakPolarHBondContact O-CG2 3.35Å; F322-T326 PolarHBondContact O-N 3.27Å; F322-T326 VanDerWaalsContact O-N 3.12Å; F322-T326 PolarHBondContact O-OG1 3.29Å; A323-T326 PolarHBondContact O-N 3.14Å; A323-T326 VanDerWaalsContact O-N 3.08Å
327C94.3Very high96.3Very high9 Ų910 Ų106%0.0616%0.061CC..  trans-135.9151.9-175.7-57.20000111.4C188 A323 V330C188-C327 HydrophobicContact CB-CB 3.68Å; C188-C327 WeakPolarHBondContact CB-SG 3.49Å; C188-C327 WeakPolarHBondContact SG-CB 3.42Å; C188-C327 CovalentContact SG-SG 2.02Å; C188-C327 PolarHBondContact SG-SG 2.88Å; A323-C327 WeakPolarHBondContact O-CB 3.4Å; A323-C327 PolarHBondContact O-N 3.29Å; A323-C327 PolarHBondContact O-SG 3.35Å; C327-V330 HydrophobicContact CB-CG2 3.8Å
328D93.4Very high95.6Very high36 Ų3611.4 Ų11.419%0.1937%0.069CC..SBendtrans-85.8-31.3178.7-60.4-55.3000112.3C105 C107 C111 I112 R186C105-D328 HydrophobicContact CB-CB 4.14Å; C105-D328 WeakPolarHBondContact CB-OD1 3.39Å; C107-D328 WeakPolarHBondContact SG-CB 3.42Å; C111-D328 WeakPolarHBondContact CA-O 3.47Å; I112-D328 WeakPolarHBondContact CG1-O 3.42Å; I112-D328 PolarHBondContact N-O 3.45Å; R186-D328 VanDerWaalsContact CB-OD2 3.27Å; R186-D328 WeakPolarHBondContact CB-OD2 3.34Å; R186-D328 PolarHBondContact N-OD2 2.84Å; R186-D328 PolarHBondContact O-N 3.15Å
329Q95.8Very high94.8Very high18 Ų1820.1 Ų20.18%0.08411%0.106CC..EExtended strand (participates in β ladder)trans-140.7138.7174.9-66.7-173.9-12.400110C107 D109 S110 K187 C188C107-Q329 HydrophobicContact CB-CG 4.48Å; D109-Q329 PolarHBondContact OD2-NE2 2.93Å; D109-Q329 PolarHBondContact OD2-OE1 2.91Å; S110-Q329 WeakPolarHBondContact O-CG 3.24Å; S110-Q329 PolarHBondContact O-NE2 3.35Å; K187-Q329 VanDerWaalsContact CD-OE1 3.3Å; K187-Q329 HydrophobicContact CG-CB 4.32Å; C188-Q329 PolarHBondContact N-O 3.04Å
330V98Very high94.1Very high5 Ų527 Ų273%0.0314%0.142CC..EExtended strand (participates in β ladder)trans-126.4124.8-177.5170.20000110.9I112 C188 V190 A323 C327 V332 I380 K381I112-V330 HydrophobicContact CD1-CB 3.93Å; I112-V330 HydrophobicContact CD1-CG2 3.53Å; C188-V330 HydrophobicContact CB-CG2 4.28Å; C188-V330 WeakPolarHBondContact O-CA 3.4Å; V190-V330 HydrophobicContact CG2-CG1 3.96Å; A323-V330 HydrophobicContact CB-CG1 4.31Å; A323-V330 HydrophobicContact CB-CG2 3.66Å; C327-V330 HydrophobicContact CB-CG2 3.8Å; V330-V332 HydrophobicContact CG1-CG2 3.84Å; V330-I380 HydrophobicContact CB-CG2 4.12Å; V330-I380 HydrophobicContact CG1-CB 4.47Å; V330-I380 HydrophobicContact CG1-CG2 3.9Å; V330-I380 CarbonylContact O-C 3.18Å; V330-I380 VanDerWaalsContact O-CA 3.23Å; V330-I380 WeakPolarHBondContact O-CA 3.38Å; V330-K381 PolarHBondContact O-N 3.45Å
331S98.7Very high93.2Very high10 Ų1029.2 Ų29.27%0.0717%0.165CC..EExtended strand (participates in β ladder)trans-106.2133.9168.9-59.40000109.1C188 A189 V190 H209 F333 K381C188-S331 PolarHBondContact O-N 3.24Å; A189-S331 CarbonylContact C-O 3.48Å; A189-S331 WeakPolarHBondContact CA-O 3.32Å; V190-S331 PolarHBondContact N-O 2.9Å; H209-S331 VanDerWaalsContact NE2-CB 3.33Å; H209-S331 WeakPolarHBondContact NE2-CB 3.19Å; H209-S331 PolarHBondContact NE2-OG 2.62Å; S331-F333 VanDerWaalsContact CB-CE2 3.44Å; S331-K381 CarbonylContact C-O 3.59Å; S331-K381 WeakPolarHBondContact CA-O 3.37Å
332V98.8Very high92.4Very high0 Ų031.5 Ų31.50%018%0.178CC..EExtended strand (participates in β ladder)trans-117.5124.1-174.3178.20000109.7I320 V330 Y335 I380 K381 L382 Y383I320-V332 HydrophobicContact CD1-CG1 3.8Å; I320-V332 HydrophobicContact CD1-CG2 4.03Å; I320-V332 HydrophobicContact CG1-CG1 4.48Å; I320-V332 HydrophobicContact CG1-CG2 4.12Å; V330-V332 HydrophobicContact CG1-CG2 3.84Å; V332-Y335 HydrophobicContact CG1-CD2 3.3Å; V332-Y335 HydrophobicContact CG1-CE2 3.65Å; V332-Y335 HydrophobicContact CG1-CG 3.8Å; V332-I380 HydrophobicContact CB-CD1 4.19Å; V332-I380 HydrophobicContact CG2-CB 4.14Å; V332-I380 HydrophobicContact CG2-CD1 3.73Å; V332-I380 HydrophobicContact CG2-CG1 4.46Å; V332-I380 HydrophobicContact CG2-CG2 4.24Å; V332-K381 PolarHBondContact N-O 2.83Å; V332-L382 HydrophobicContact CB-CD1 3.97Å; V332-L382 HydrophobicContact CG1-CD1 3.74Å; V332-Y383 PolarHBondContact O-N 3.42Å
333F98.8Very high91.8Very high0 Ų033.4 Ų33.40%019%0.185CC..EExtended strand (participates in β ladder)trans-129143.8-177-53.3-95.7000109.6A189 V190 V191 G192 L197 H202 L205 I206 S331 Y335 Y383A189-F333 HydrophobicContact CB-CD2 4.18Å; A189-F333 HydrophobicContact CB-CE2 3.8Å; V190-F333 PolarHBondContact O-N 3.16Å; V191-F333 WeakPolarHBondContact CA-O 3.36Å; V191-F333 HydrophobicContact CG2-CD2 4.46Å; G192-F333 PolarHBondContact N-O 3.42Å; L197-F333 HydrophobicContact CD2-CB 4.09Å; H202-F333 HydrophobicContact CB-CD1 4.03Å; H202-F333 HydrophobicContact CB-CE1 4.22Å; H202-F333 AromaticContact ND1-CD1 3.95Å; L205-F333 HydrophobicContact CD2-CE1 3.99Å; L205-F333 HydrophobicContact CD2-CZ 4.15Å; L205-F333 HydrophobicContact CG-CE1 4.25Å; L205-F333 HydrophobicContact CG-CZ 4.03Å; I206-F333 HydrophobicContact CD1-CB 4.24Å; I206-F333 HydrophobicContact CD1-CD1 4.21Å; I206-F333 HydrophobicContact CD1-CD2 4.37Å; I206-F333 HydrophobicContact CD1-CG 4.04Å; I206-F333 HydrophobicContact CG1-CD1 3.96Å; I206-F333 HydrophobicContact CG1-CD2 3.77Å; I206-F333 HydrophobicContact CG1-CE1 4.04Å; I206-F333 HydrophobicContact CG1-CE2 3.83Å; I206-F333 HydrophobicContact CG1-CG 3.84Å; I206-F333 HydrophobicContact CG1-CZ 3.98Å; S331-F333 VanDerWaalsContact CB-CE2 3.44Å; F333-Y335 WeakPolarHBondContact O-CD2 3.5Å; F333-Y383 VanDerWaalsContact CD1-CB 3.47Å; F333-Y383 HydrophobicContact CD1-CD1 4.46Å; F333-Y383 AromaticContact CD1-CD2 3.79Å; F333-Y383 HydrophobicContact CD1-CD2 3.79Å; F333-Y383 AromaticContact CD1-CG 3.67Å; F333-Y383 HydrophobicContact CD1-CG 3.67Å; F333-Y383 AromaticContact CE1-CD1 3.92Å; F333-Y383 HydrophobicContact CE1-CD1 3.92Å; F333-Y383 AromaticContact CE1-CD2 3.37Å; F333-Y383 HydrophobicContact CE1-CD2 3.37Å; F333-Y383 HydrophobicContact CE1-CE1 4.36Å; F333-Y383 AromaticContact CE1-CE2 3.87Å; F333-Y383 HydrophobicContact CE1-CE2 3.87Å; F333-Y383 AromaticContact CE1-CG 3.41Å; F333-Y383 HydrophobicContact CE1-CG 3.41Å; F333-Y383 VanDerWaalsContact CE1-CG 3.41Å; F333-Y383 HydrophobicContact CE2-CD2 4.3Å; F333-Y383 HydrophobicContact CG-CD2 4.39Å; F333-Y383 AromaticContact CZ-CD2 3.66Å; F333-Y383 HydrophobicContact CZ-CD2 3.66Å; F333-Y383 AromaticContact CZ-CE2 3.78Å; F333-Y383 HydrophobicContact CZ-CE2 3.78Å; F333-Y383 HydrophobicContact CZ-CG 4.18Å
334G97.1Very high91.2Very high3 Ų334.5 Ų34.53%0.03119%0.189CC..SBendtrans77.330.8172.200000115.4G192 N193 S194 N196G192-G334 CarbonylContact C-O 3.54Å; G192-G334 VanDerWaalsContact C-O 3.25Å; G192-G334 WeakPolarHBondContact CA-O 3.45Å; N193-G334 PolarHBondContact N-O 3.04Å; N193-G334 VanDerWaalsContact N-O 3.13Å; S194-G334 WeakPolarHBondContact CB-O 3.02Å; S194-G334 PolarHBondContact N-O 2.96Å; N196-G334 WeakPolarHBondContact OD1-CA 3.35Å
335Y95.4Very high91Very high22 Ų2236.7 Ų36.79%0.08620%0.2CC..  trans-112.2159.4175-78.8-107.5000110.9V190 N196 M215 G316 I320 V332 F333 I371V190-Y335 HydrophobicContact CG1-CE2 4.07Å; V190-Y335 VanDerWaalsContact CG1-OH 3.27Å; V190-Y335 WeakPolarHBondContact CG1-OH 3.11Å; N196-Y335 PolarHBondContact ND2-O 3.18Å; M215-Y335 WeakPolarHBondContact CE-OH 3.28Å; G316-Y335 WeakPolarHBondContact CA-OH 3.48Å; G316-Y335 PolarHBondContact O-OH 3Å; I320-Y335 HydrophobicContact CD1-CD1 3.98Å; I320-Y335 HydrophobicContact CD1-CE1 3.45Å; I320-Y335 VanDerWaalsContact CD1-CE1 3.45Å; I320-Y335 HydrophobicContact CD1-CE2 4.19Å; I320-Y335 HydrophobicContact CG1-CE1 4.13Å; I320-Y335 WeakPolarHBondContact CG1-OH 3.37Å; V332-Y335 HydrophobicContact CG1-CD2 3.3Å; V332-Y335 HydrophobicContact CG1-CE2 3.65Å; V332-Y335 HydrophobicContact CG1-CG 3.8Å; F333-Y335 WeakPolarHBondContact O-CD2 3.5Å; Y335-I371 HydrophobicContact CD1-CD1 3.5Å; Y335-I371 HydrophobicContact CE1-CD1 3.96Å; Y335-I371 HydrophobicContact CG-CD1 4.34Å
336G89.8Confident90.9Very high15 Ų1535.4 Ų35.416%0.15519%0.194CC..SBendtrans74-165.7-175.500000113.6S194S194-G336 VanDerWaalsContact CB-O 3.25Å; S194-G336 WeakPolarHBondContact CB-O 3.47Å; S194-G336 PolarHBondContact OG-O 3.01Å
337A86.7Confident90.9Very high30 Ų3037.2 Ų37.225%0.24820%0.198CC..  trans-84.4173.3177.400000112.6N196 N342 W343N196-A337 PolarHBondContact ND2-O 2.81Å; A337-N342 WeakPolarHBondContact CA-O 3.18Å; A337-N342 WeakPolarHBondContact CB-O 3.44Å; A337-W343 HydrophobicContact CB-CZ2 4.45Å
338D83.3Confident90.5Very high31 Ų3139 Ų3917%0.16621%0.205CC..  trans-75.2177.3161.985.7-7.8000112.8L340 G341 N342D338-L340 PolarHBondContact O-N 3.32Å; D338-L340 WeakPolarHBondContact OD1-CA 3.46Å; D338-L340 WeakPolarHBondContact OD1-CB 3.31Å; D338-L340 PolarHBondContact OD1-N 3.16Å; D338-G341 PolarHBondContact O-N 3.47Å; D338-G341 PolarHBondContact OD1-N 2.96Å; D338-G341 VanDerWaalsContact OD1-N 3.08Å; D338-N342 VanDerWaalsContact CG-CB 3.49Å; D338-N342 PolarHBondContact N-O 2.9Å; D338-N342 VanDerWaalsContact OD1-CB 3.25Å; D338-N342 WeakPolarHBondContact OD1-CB 3.19Å; D338-N342 PolarHBondContact OD1-N 3.48Å; D338-N342 PolarHBondContact OD1-ND2 2.76Å; D338-N342 WeakPolarHBondContact OD2-CB 3.11Å; D338-N342 PolarHBondContact OD2-ND2 3.21Å
339K82.4Confident89.6Confident184 Ų18445.5 Ų45.580%0.824%0.235SC*.THydrogen-bonded Turntrans-66.3-4.3-179.1-60.6-180-178.3176.90114.3
340L82.1Confident88.2Confident145 Ų14546.8 Ų46.876%0.75924%0.242SC*.THydrogen-bonded Turntrans-110.52.1175.5-55.1174.5000111.8D338 N342D338-L340 PolarHBondContact O-N 3.32Å; D338-L340 WeakPolarHBondContact OD1-CA 3.46Å; D338-L340 WeakPolarHBondContact OD1-CB 3.31Å; D338-L340 PolarHBondContact OD1-N 3.16Å; L340-N342 VanDerWaalsContact C-N 3.35Å
341G81.1Confident86.2Confident47 Ų4757 Ų5749%0.48528%0.28SS..SBendtrans82.28.6-175.700000114.4D338D338-G341 PolarHBondContact O-N 3.47Å; D338-G341 PolarHBondContact OD1-N 2.96Å; D338-G341 VanDerWaalsContact OD1-N 3.08Å
342N82.1Confident84.2Confident48 Ų4864.5 Ų64.526%0.25731%0.312SS..  trans-73.5143.3180-59.1-47.2000111.5A337 D338 L340 A353A337-N342 WeakPolarHBondContact CA-O 3.18Å; A337-N342 WeakPolarHBondContact CB-O 3.44Å; D338-N342 VanDerWaalsContact CG-CB 3.49Å; D338-N342 PolarHBondContact N-O 2.9Å; D338-N342 VanDerWaalsContact OD1-CB 3.25Å; D338-N342 WeakPolarHBondContact OD1-CB 3.19Å; D338-N342 PolarHBondContact OD1-N 3.48Å; D338-N342 PolarHBondContact OD1-ND2 2.76Å; D338-N342 WeakPolarHBondContact OD2-CB 3.11Å; D338-N342 PolarHBondContact OD2-ND2 3.21Å; L340-N342 VanDerWaalsContact C-N 3.35Å; N342-A353 HydrophobicContact CB-CB 3.6Å; N342-A353 WeakPolarHBondContact OD1-CB 3.42Å
343W84.8Confident82.2Confident47 Ų4766.7 Ų66.718%0.17833%0.33CS..  trans-113.3112.8165.9-65.569.4000108.5A337 G354 F356 R357 A364A337-W343 HydrophobicContact CB-CZ2 4.45Å; W343-G354 PolarHBondContact O-N 3.43Å; W343-F356 HydrophobicContact CB-CB 4.25Å; W343-F356 HydrophobicContact CB-CD2 4.45Å; W343-F356 WeakPolarHBondContact O-CD2 3.41Å; W343-R357 HydrophobicContact CD2-CG 4.09Å; W343-R357 HydrophobicContact CG-CG 3.89Å; W343-A364 HydrophobicContact CH2-CB 4.35Å
344H86.7Confident80.1Confident22 Ų2268 Ų6810%0.10234%0.343CS..  trans-156.3166.1171.767.685.6000109.5G195 R198 N350G195-H344 VanDerWaalsContact CA-CE1 3.42Å; G195-H344 WeakPolarHBondContact CA-CE1 3.42Å; G195-H344 PolarHBondContact N-O 2.86Å; R198-H344 PolarHBondContact NH1-CE1 2.03Å; H344-N350 HydrophobicContact CB-CB 3.86Å
345H92.7Very high78Confident47 Ų4771.1 Ų71.122%0.21837%0.369CS..BIsolated β-bridgetrans-81.9152.6173-50.1120.5000113N193 W347 E348 F356N193-H345 WeakPolarHBondContact O-CA 3.41Å; H345-W347 HydrophobicContact CB-CD2 3.84Å; H345-W347 HydrophobicContact CB-CE3 3.83Å; H345-W347 HydrophobicContact CB-CH2 3.72Å; H345-W347 HydrophobicContact CB-CZ2 3.68Å; H345-W347 HydrophobicContact CB-CZ3 3.78Å; H345-W347 AromaticContact CD2-CH2 3.73Å; H345-W347 AromaticContact CG-CH2 3.6Å; H345-W347 AromaticContact CG-CZ2 3.53Å; H345-W347 AromaticContact ND1-CZ2 3.61Å; H345-W347 PolarHBondContact O-N 2.86Å; H345-E348 HydrophobicContact CB-CG 3.82Å; H345-E348 IonicContact CE1-OE2 3.8Å; H345-E348 IonicContact CG-OE2 3.81Å; H345-E348 PolarHBondContact N-OE1 2.95Å; H345-E348 VanDerWaalsContact ND1-CD 3.31Å; H345-E348 IonicContact ND1-OE1 2.78Å; H345-E348 IonicContact ND1-OE2 3.4Å; H345-E348 PolarHBondContact ND1-OE2 3.3Å; H345-E348 WeakPolarHBondContact O-CG 3.08Å; H345-E348 PolarHBondContact O-N 3.36Å; H345-F356 AromaticContact CE1-CE1 3.4Å; H345-F356 WeakPolarHBondContact CE1-CE1 3.32Å; H345-F356 AromaticContact CE1-CZ 3.49Å; H345-F356 VanDerWaalsContact CE1-CZ 3.49Å; H345-F356 WeakPolarHBondContact CE1-CZ 3.41Å; H345-F356 AromaticContact ND1-CZ 3.77Å; H345-F356 AromaticContact NE2-CE1 3.79Å
346Y94.4Very high76.2Confident2 Ų274 Ų741%0.00838%0.382CS..THydrogen-bonded Turntrans-67.4-18.2179.163-99.6000114.5N193 L197 R198 V219 F223 V227N193-Y346 WeakPolarHBondContact O-CD1 3.28Å; N193-Y346 PolarHBondContact O-N 3.48Å; L197-Y346 HydrophobicContact CB-CD1 4.29Å; L197-Y346 HydrophobicContact CB-CG 4.34Å; L197-Y346 HydrophobicContact CD1-CD1 3.54Å; L197-Y346 HydrophobicContact CD1-CE1 3.73Å; L197-Y346 HydrophobicContact CD1-CG 4.35Å; R198-Y346 PolarHBondContact NE-O 3.25Å; R198-Y346 PolarHBondContact NH2-O 3.17Å; V219-Y346 PolarHBondContact N-OH 3.33Å; V219-Y346 WeakPolarHBondContact O-CE2 3.27Å; F223-Y346 HydrophobicContact CB-CD2 4.34Å; F223-Y346 HydrophobicContact CB-CE2 4.26Å; F223-Y346 HydrophobicContact CD1-CD2 4.14Å; F223-Y346 HydrophobicContact CD2-CD2 4.45Å; F223-Y346 HydrophobicContact CD2-CE2 4.4Å; F223-Y346 WeakPolarHBondContact CE1-O 3.48Å; F223-Y346 HydrophobicContact CG-CD2 4.04Å; F223-Y346 HydrophobicContact CG-CE2 4.21Å; V227-Y346 HydrophobicContact CB-CE2 4.44Å; V227-Y346 HydrophobicContact CG1-CD1 4.35Å; V227-Y346 HydrophobicContact CG1-CD2 3.9Å; V227-Y346 HydrophobicContact CG1-CE1 4.14Å; V227-Y346 HydrophobicContact CG1-CE2 3.69Å; V227-Y346 HydrophobicContact CG1-CG 4.24Å; V227-Y346 HydrophobicContact CG2-CE2 4.18Å
347W93.1Very high74.6Confident61 Ų6179.3 Ų79.323%0.23140%0.397CS..THydrogen-bonded Turntrans-97.1-5.5-179.566.581.4000115.2N193 K217 V219 F223 H345N193-W347 HydrophobicContact CB-CH2 3.74Å; N193-W347 HydrophobicContact CB-CZ3 3.65Å; N193-W347 WeakPolarHBondContact OD1-CZ3 3.49Å; K217-W347 HydrophobicContact CB-CZ2 4.4Å; V219-W347 HydrophobicContact CB-CB 3.97Å; V219-W347 HydrophobicContact CB-CD2 4.5Å; V219-W347 HydrophobicContact CB-CG 4.17Å; V219-W347 HydrophobicContact CG2-CB 4.04Å; V219-W347 HydrophobicContact CG2-CD2 4.03Å; V219-W347 HydrophobicContact CG2-CG 3.74Å; F223-W347 HydrophobicContact CD2-CB 4.32Å; F223-W347 HydrophobicContact CE2-CB 3.7Å; F223-W347 HydrophobicContact CZ-CB 3.98Å; H345-W347 HydrophobicContact CB-CD2 3.84Å; H345-W347 HydrophobicContact CB-CE3 3.83Å; H345-W347 HydrophobicContact CB-CH2 3.72Å; H345-W347 HydrophobicContact CB-CZ2 3.68Å; H345-W347 HydrophobicContact CB-CZ3 3.78Å; H345-W347 AromaticContact CD2-CH2 3.73Å; H345-W347 AromaticContact CG-CH2 3.6Å; H345-W347 AromaticContact CG-CZ2 3.53Å; H345-W347 AromaticContact ND1-CZ2 3.61Å; H345-W347 PolarHBondContact O-N 2.86Å
348E85.3Confident73.1Confident46 Ų4687.2 Ų87.222%0.21543%0.426CS..SBendtrans-113140.2-173.764.3-177.2-145.100113.2R198 H345 N350 F356R198-E348 PolarHBondContact NH2-O 2.88Å; H345-E348 HydrophobicContact CB-CG 3.82Å; H345-E348 IonicContact CE1-OE2 3.8Å; H345-E348 IonicContact CG-OE2 3.81Å; H345-E348 PolarHBondContact N-OE1 2.95Å; H345-E348 VanDerWaalsContact ND1-CD 3.31Å; H345-E348 IonicContact ND1-OE1 2.78Å; H345-E348 IonicContact ND1-OE2 3.4Å; H345-E348 PolarHBondContact ND1-OE2 3.3Å; H345-E348 WeakPolarHBondContact O-CG 3.08Å; H345-E348 PolarHBondContact O-N 3.36Å; E348-N350 HydrophobicContact CG-CB 3.92Å; E348-N350 PolarHBondContact O-N 2.97Å; E348-N350 WeakPolarHBondContact OE1-CB 3.03Å; E348-N350 PolarHBondContact OE1-ND2 3.26Å; E348-F356 WeakPolarHBondContact OE1-CZ 3.38Å
349E74.3Confident72.1Confident172 Ų17290.3 Ų90.380%0.80445%0.446SS*.  trans-81.963.9169.9-72.3-166.7-171.900111.3R351E349-R351 PolarHBondContact O-N 3.26Å; E349-R351 VanDerWaalsContact O-N 3.11Å
350N65.9Low71.5Confident46 Ų4684.8 Ų84.825%0.24644%0.441CS..  trans-79.498.4-178.1-164.8-20.9000111.7H344 E348 F352H344-N350 HydrophobicContact CB-CB 3.86Å; E348-N350 HydrophobicContact CG-CB 3.92Å; E348-N350 PolarHBondContact O-N 2.97Å; E348-N350 WeakPolarHBondContact OE1-CB 3.03Å; E348-N350 PolarHBondContact OE1-ND2 3.26Å; N350-F352 PolarHBondContact O-N 3.03Å; N350-F352 WeakPolarHBondContact OD1-CA 3.48Å; N350-F352 PolarHBondContact OD1-N 2.9Å; N350-F352 PolarHBondContact OD1-O 3.34Å
351R56Low71.7Confident220 Ų22079.8 Ų79.883%0.8342%0.417SS*.SBendtrans-67.9-6.6175.4-61.3-176.6-177-172.6-0.1114E349E349-R351 PolarHBondContact O-N 3.26Å; E349-R351 VanDerWaalsContact O-N 3.11Å
352F58.2Low71.9Confident167 Ų16780.3 Ų80.373%0.73241%0.406SS*.SBendtrans-119.161.2-179.2-60-69000111.1N350 G354 A355N350-F352 PolarHBondContact O-N 3.03Å; N350-F352 WeakPolarHBondContact OD1-CA 3.48Å; N350-F352 PolarHBondContact OD1-N 2.9Å; N350-F352 PolarHBondContact OD1-O 3.34Å; F352-G354 PolarHBondContact O-N 3.31Å; F352-A355 PolarHBondContact O-N 3.11Å
353A55.6Low72.3Confident45 Ų4579.6 Ų79.637%0.37241%0.405SS..THydrogen-bonded Turntrans-47.3133.3171.500000112.1N342N342-A353 HydrophobicContact CB-CB 3.6Å; N342-A353 WeakPolarHBondContact OD1-CB 3.42Å
354G54.4Low72.4Confident28 Ų2878.8 Ų78.829%0.28941%0.408SS..THydrogen-bonded Turntrans100.7-6.4177.800000115.7W343 F352 F356 R357W343-G354 PolarHBondContact O-N 3.43Å; F352-G354 PolarHBondContact O-N 3.31Å; G354-F356 PolarHBondContact O-N 2.87Å; G354-R357 PolarHBondContact O-N 3.41Å; G354-R357 VanDerWaalsContact O-N 3.16Å
355A54.2Low72.5Confident68 Ų6881.3 Ų81.356%0.56242%0.423SS*.G310 helixtrans-52-29.3174.600000113.7F352F352-A355 PolarHBondContact O-N 3.11Å
356F57.4Low72.6Confident82 Ų8280.6 Ų80.636%0.3642%0.419SS..G310 helixtrans-79.2-16.5-176.4-59-85.5000115.2W343 H345 E348 G354 K358W343-F356 HydrophobicContact CB-CB 4.25Å; W343-F356 HydrophobicContact CB-CD2 4.45Å; W343-F356 WeakPolarHBondContact O-CD2 3.41Å; H345-F356 AromaticContact CE1-CE1 3.4Å; H345-F356 WeakPolarHBondContact CE1-CE1 3.32Å; H345-F356 AromaticContact CE1-CZ 3.49Å; H345-F356 VanDerWaalsContact CE1-CZ 3.49Å; H345-F356 WeakPolarHBondContact CE1-CZ 3.41Å; H345-F356 AromaticContact ND1-CZ 3.77Å; H345-F356 AromaticContact NE2-CE1 3.79Å; E348-F356 WeakPolarHBondContact OE1-CZ 3.38Å; G354-F356 PolarHBondContact O-N 2.87Å; F356-K358 VanDerWaalsContact C-N 3.32Å; F356-K358 PolarHBondContact O-N 2.85Å
357R55.9Low72.7Confident128 Ų12881.2 Ų81.248%0.48342%0.422SS..G310 helixtrans-75.7-10.7-176.9-73.9-168.781169.81.1115W343 G354 D365W343-R357 HydrophobicContact CD2-CG 4.09Å; W343-R357 HydrophobicContact CG-CG 3.89Å; G354-R357 PolarHBondContact O-N 3.41Å; G354-R357 VanDerWaalsContact O-N 3.16Å; R357-D365 IonicContact CZ-OD1 3.01Å; R357-D365 IonicContact CZ-OD2 3.57Å; R357-D365 IonicContact NE-OD1 3.46Å; R357-D365 IonicContact NH2-OD1 3.79Å; R357-D365 PolarHBondContact NH2-OD1 3.07Å; R357-D365 IonicContact NH2-OD2 2.75Å; R357-D365 PolarHBondContact NH2-OD2 3.28Å
358K56.4Low72.8Confident195 Ų19580 Ų8085%0.84842%0.421SS*.  trans-128.946.4-163.6-67.2-170.2175.8-178.10115.7F356F356-K358 VanDerWaalsContact C-N 3.32Å; F356-K358 PolarHBondContact O-N 2.85Å
359T62.3Low73.3Confident96 Ų9683.7 Ų83.759%0.58944%0.439SS*.  trans-90-25.2166.464.50000113.5V361T359-V361 PolarHBondContact O-N 3.33Å; T359-V361 PolarHBondContact OG1-N 2.69Å
360G69.3Low74.5Confident68 Ų6875.8 Ų75.870%0.70140%0.402SS*.SBendtrans69.87.2-175.600000115.2
361V84.9Confident76Confident40 Ų4074 Ų7424%0.24239%0.392CS..SBendtrans-86.4-35.2-178.2-178.70000112.1R311 Y312 T359R311-V361 WeakPolarHBondContact CB-O 3.46Å; R311-V361 PolarHBondContact N-O 3.19Å; Y312-V361 HydrophobicContact CD1-CG1 4.26Å; Y312-V361 HydrophobicContact CD2-CG1 4.49Å; Y312-V361 HydrophobicContact CE1-CG1 3.59Å; Y312-V361 HydrophobicContact CE2-CG1 3.88Å; Y312-V361 PolarHBondContact N-O 3.22Å; Y312-V361 WeakPolarHBondContact OH-CG1 3.49Å; T359-V361 PolarHBondContact O-N 3.33Å; T359-V361 PolarHBondContact OG1-N 2.69Å
362H86.3Confident78Confident58 Ų5867.7 Ų67.727%0.26937%0.372SS..BIsolated β-bridgetrans-127.8146.6-179.3-46.3-65.4000109Y312 P313 S314 A364Y312-H362 AromaticContact CD2-CE1 3.55Å; Y312-H362 AromaticContact CD2-ND1 3.99Å; Y312-H362 AromaticContact CE2-CE1 3.44Å; Y312-H362 VanDerWaalsContact CE2-CE1 3.44Å; Y312-H362 WeakPolarHBondContact CE2-CE1 3.43Å; Y312-H362 PolarHBondContact O-ND1 3.49Å; P313-H362 PolarHBondContact O-CE1 2.92Å; P313-H362 PolarHBondContact O-ND1 3.09Å; S314-H362 PolarHBondContact N-ND1 3.42Å; H362-A364 PolarHBondContact O-N 2.02Å
363S89.9Confident79.9Confident33 Ų3364.6 Ų64.623%0.23136%0.356CS..  trans-88.483.8171.4-169.90000110.4H309 D365 F366 E367H309-S363 WeakPolarHBondContact O-CB 3.17Å; H309-S363 PolarHBondContact O-N 2.62Å; S363-D365 PolarHBondContact O-N 3.05Å; S363-F366 PolarHBondContact O-N 2.97Å; S363-F366 WeakPolarHBondContact OG-CB 3.06Å; S363-E367 WeakPolarHBondContact O-CB 3.4Å; S363-E367 WeakPolarHBondContact O-CG 3.39Å; S363-E367 PolarHBondContact O-N 3.49Å
364A87.6Confident81.9Confident30 Ų3062.5 Ų62.525%0.24834%0.338CS..Hα-helixtrans-58.9-30.5-17800000113.2W343 H362 T368W343-A364 HydrophobicContact CH2-CB 4.35Å; H362-A364 PolarHBondContact O-N 2.02Å; A364-T368 WeakPolarHBondContact O-CB 3.39Å; A364-T368 PolarHBondContact O-N 3.21Å; A364-T368 VanDerWaalsContact O-N 3.11Å; A364-T368 PolarHBondContact O-OG1 3.15Å
365D89.6Confident84Confident76 Ų7664 Ų6441%0.40634%0.339SS..Hα-helixtrans-73.1-47.4178.4-63.3-30000110.6R357 S363 T368 E369R357-D365 IonicContact CZ-OD1 3.01Å; R357-D365 IonicContact CZ-OD2 3.57Å; R357-D365 IonicContact NE-OD1 3.46Å; R357-D365 IonicContact NH2-OD1 3.79Å; R357-D365 PolarHBondContact NH2-OD1 3.07Å; R357-D365 IonicContact NH2-OD2 2.75Å; R357-D365 PolarHBondContact NH2-OD2 3.28Å; S363-D365 PolarHBondContact O-N 3.05Å; D365-T368 WeakPolarHBondContact O-CB 3.1Å; D365-T368 PolarHBondContact O-N 2.94Å; D365-T368 VanDerWaalsContact O-N 3.13Å; D365-E369 PolarHBondContact O-N 2.92Å
366F94.2Very high86Confident32 Ų3268.7 Ų68.714%0.1435%0.347CS..Hα-helixtrans-66-39.7175.2-167.3-88.9000112.6T306 E307 H309 S363 T368 E369 V370T306-F366 VanDerWaalsContact C-CE1 3.48Å; T306-F366 WeakPolarHBondContact O-CD1 3.45Å; T306-F366 VanDerWaalsContact O-CE1 3.28Å; T306-F366 WeakPolarHBondContact O-CE1 3.48Å; E307-F366 HydrophobicContact CB-CE1 4.16Å; E307-F366 HydrophobicContact CB-CZ 3.91Å; E307-F366 HydrophobicContact CG-CE1 4.44Å; E307-F366 HydrophobicContact CG-CZ 4.16Å; H309-F366 HydrophobicContact CB-CB 3.96Å; H309-F366 HydrophobicContact CB-CD1 4.03Å; H309-F366 HydrophobicContact CB-CD2 4.45Å; H309-F366 HydrophobicContact CB-CG 3.88Å; H309-F366 AromaticContact CD2-CD2 3.93Å; H309-F366 AromaticContact CE1-CD2 3.69Å; H309-F366 AromaticContact CE1-CE2 3.41Å; H309-F366 VanDerWaalsContact CE1-CE2 3.41Å; H309-F366 WeakPolarHBondContact CE1-CE2 3.49Å; H309-F366 AromaticContact CE1-CZ 3.83Å; H309-F366 AromaticContact CG-CD2 3.75Å; H309-F366 AromaticContact CG-CG 3.68Å; H309-F366 AromaticContact ND1-CD1 3.84Å; H309-F366 AromaticContact ND1-CD2 3.6Å; H309-F366 AromaticContact ND1-CE1 3.77Å; H309-F366 AromaticContact ND1-CE2 3.51Å; H309-F366 AromaticContact ND1-CG 3.76Å; H309-F366 AromaticContact ND1-CZ 3.61Å; H309-F366 AromaticContact NE2-CD2 3.9Å; S363-F366 PolarHBondContact O-N 2.97Å; S363-F366 WeakPolarHBondContact OG-CB 3.06Å; F366-T368 PolarHBondContact O-N 3.04Å; F366-E369 PolarHBondContact O-N 3.24Å; F366-V370 HydrophobicContact CD1-CG2 3.78Å; F366-V370 HydrophobicContact CE1-CG2 3.53Å; F366-V370 HydrophobicContact CZ-CG2 4.33Å; F366-V370 VanDerWaalsContact O-CG2 3.31Å; F366-V370 WeakPolarHBondContact O-CG2 3.49Å; F366-V370 PolarHBondContact O-N 2.91Å
367E96.1Very high87.8Confident14 Ų1466.8 Ų66.87%0.06534%0.34CS..Hα-helixtrans-59.8-34.5172.8-74.7-176.1-169.500111.7T306 S314 M317 S363 I371T306-E367 HydrophobicContact CG2-CG 4.03Å; S314-E367 WeakPolarHBondContact CB-OE1 3.25Å; S314-E367 WeakPolarHBondContact CB-OE2 3.29Å; S314-E367 PolarHBondContact N-OE1 3.1Å; S314-E367 PolarHBondContact OG-OE2 3.27Å; M317-E367 HydrophobicContact CB-CG 4.06Å; M317-E367 HydrophobicContact CE-CB 3.74Å; M317-E367 HydrophobicContact CE-CG 3.86Å; M317-E367 WeakPolarHBondContact CE-O 3.46Å; M317-E367 HydrophobicContact CG-CG 4.27Å; S363-E367 WeakPolarHBondContact O-CB 3.4Å; S363-E367 WeakPolarHBondContact O-CG 3.39Å; S363-E367 PolarHBondContact O-N 3.49Å; E367-I371 WeakPolarHBondContact O-CD1 3.23Å; E367-I371 WeakPolarHBondContact O-CG1 3.48Å; E367-I371 PolarHBondContact O-N 2.71Å; E367-I371 VanDerWaalsContact O-N 3.15Å
368T94.7Very high89.6Confident35 Ų3563.1 Ų63.122%0.21534%0.341CS..Hα-helixtrans-69.1-41.7175.2-60.90000111.4A364 D365 F366 V370 I371 H372A364-T368 WeakPolarHBondContact O-CB 3.39Å; A364-T368 PolarHBondContact O-N 3.21Å; A364-T368 VanDerWaalsContact O-N 3.11Å; A364-T368 PolarHBondContact O-OG1 3.15Å; D365-T368 WeakPolarHBondContact O-CB 3.1Å; D365-T368 PolarHBondContact O-N 2.94Å; D365-T368 VanDerWaalsContact O-N 3.13Å; F366-T368 PolarHBondContact O-N 3.04Å; T368-V370 PolarHBondContact O-N 2.66Å; T368-I371 PolarHBondContact O-N 3.28Å; T368-H372 PolarHBondContact O-CD2 2.96Å; T368-H372 VanDerWaalsContact O-CD2 3.27Å; T368-H372 PolarHBondContact O-N 2.85Å
369E96.6Very high91.5Very high125 Ų12554.6 Ų54.658%0.58430%0.304SS*.Hα-helixtrans-59.9-44.1174.3-69.9173.9-161.600112.3D365 F366 I371 H372 R373D365-E369 PolarHBondContact O-N 2.92Å; F366-E369 PolarHBondContact O-N 3.24Å; E369-I371 VanDerWaalsContact C-N 3.34Å; E369-I371 PolarHBondContact O-N 3.27Å; E369-H372 PolarHBondContact O-N 3.04Å; E369-R373 WeakPolarHBondContact O-CB 3Å; E369-R373 PolarHBondContact O-N 3.43Å
370V98.3Very high93.2Very high5 Ų550.3 Ų50.33%0.0328%0.278CS..Hα-helixtrans-61.9-40.1176.8172.70000111.7W120 W305 M317 F366 T368 R373 L374W120-V370 HydrophobicContact CH2-CG1 4.21Å; W120-V370 HydrophobicContact CZ2-CG1 4.45Å; W305-V370 HydrophobicContact CE3-CG1 4.3Å; W305-V370 WeakPolarHBondContact O-CG2 3.41Å; M317-V370 HydrophobicContact CE-CB 3.87Å; M317-V370 HydrophobicContact CE-CG1 3.74Å; M317-V370 HydrophobicContact SD-CG1 4.31Å; F366-V370 HydrophobicContact CD1-CG2 3.78Å; F366-V370 HydrophobicContact CE1-CG2 3.53Å; F366-V370 HydrophobicContact CZ-CG2 4.33Å; F366-V370 VanDerWaalsContact O-CG2 3.31Å; F366-V370 WeakPolarHBondContact O-CG2 3.49Å; F366-V370 PolarHBondContact O-N 2.91Å; T368-V370 PolarHBondContact O-N 2.66Å; V370-R373 PolarHBondContact O-N 2.56Å; V370-L374 HydrophobicContact CG1-CD1 4.39Å; V370-L374 WeakPolarHBondContact O-CG 3.37Å; V370-L374 PolarHBondContact O-N 2.68Å
371I98.4Very high94.5Very high8 Ų852 Ų524%0.04127%0.266CS..Hα-helixtrans-68.3-46.1177.6-68165.7000110.9M317 I320 Y335 E367 T368 E369 R373 L374 D375 I380 L382M317-I371 HydrophobicContact CE-CD1 4.25Å; M317-I371 HydrophobicContact CE-CG1 3.98Å; I320-I371 HydrophobicContact CD1-CD1 3.6Å; I320-I371 HydrophobicContact CD1-CG1 3.69Å; I320-I371 HydrophobicContact CD1-CG2 4.46Å; Y335-I371 HydrophobicContact CD1-CD1 3.5Å; Y335-I371 HydrophobicContact CE1-CD1 3.96Å; Y335-I371 HydrophobicContact CG-CD1 4.34Å; E367-I371 WeakPolarHBondContact O-CD1 3.23Å; E367-I371 WeakPolarHBondContact O-CG1 3.48Å; E367-I371 PolarHBondContact O-N 2.71Å; E367-I371 VanDerWaalsContact O-N 3.15Å; T368-I371 PolarHBondContact O-N 3.28Å; E369-I371 VanDerWaalsContact C-N 3.34Å; E369-I371 PolarHBondContact O-N 3.27Å; I371-R373 PolarHBondContact O-N 3.16Å; I371-L374 PolarHBondContact O-N 3.34Å; I371-D375 PolarHBondContact O-N 2.99Å; I371-D375 VanDerWaalsContact O-N 3.11Å; I371-I380 HydrophobicContact CG2-CD1 3.89Å; I371-L382 HydrophobicContact CG2-CD1 3.74Å; I371-L382 HydrophobicContact CG2-CD2 4.05Å; I371-L382 HydrophobicContact CG2-CG 4.49Å
372H98Very high95.2Very high89 Ų8951.3 Ų51.341%0.41226%0.261SS..Hα-helixtrans-62.5-32173.7-81.5-72.6000112.6T368 E369 K376T368-H372 PolarHBondContact O-CD2 2.96Å; T368-H372 VanDerWaalsContact O-CD2 3.27Å; T368-H372 PolarHBondContact O-N 2.85Å; E369-H372 PolarHBondContact O-N 3.04Å; H372-K376 WeakPolarHBondContact O-CB 3.17Å; H372-K376 PolarHBondContact O-N 3.45Å
373R97.9Very high95.7Very high102 Ų10251.5 Ų51.539%0.38526%0.259SS..Hα-helixtrans-71.3-43.2175.2-16862.6-175-125.46.3111.8W120 E369 V370 I371 D375 K376 E377W120-R373 HydrophobicContact CD2-CG 3.57Å; W120-R373 HydrophobicContact CE3-CG 3.71Å; W120-R373 HydrophobicContact CG-CG 4.24Å; W120-R373 HydrophobicContact CH2-CB 3.83Å; W120-R373 HydrophobicContact CH2-CG 3.82Å; W120-R373 HydrophobicContact CZ2-CB 3.87Å; W120-R373 HydrophobicContact CZ2-CG 3.69Å; W120-R373 HydrophobicContact CZ3-CB 4.19Å; W120-R373 HydrophobicContact CZ3-CG 3.83Å; E369-R373 WeakPolarHBondContact O-CB 3Å; E369-R373 PolarHBondContact O-N 3.43Å; V370-R373 PolarHBondContact O-N 2.56Å; I371-R373 PolarHBondContact O-N 3.16Å; R373-D375 PolarHBondContact O-N 2.76Å; R373-K376 PolarHBondContact O-N 2.96Å; R373-E377 HydrophobicContact CG-CG 4.13Å; R373-E377 IonicContact CZ-OE1 3.11Å; R373-E377 IonicContact NE-OE1 2.71Å; R373-E377 PolarHBondContact NE-OE1 3.07Å; R373-E377 IonicContact NH2-OE1 2.68Å; R373-E377 PolarHBondContact NH2-OE1 2.76Å; R373-E377 WeakPolarHBondContact O-CB 3.29Å; R373-E377 WeakPolarHBondContact O-CG 3.4Å; R373-E377 PolarHBondContact O-N 2.85Å
374L97.9Very high95.6Very high0 Ų054.4 Ų54.40%027%0.272CS..Hα-helixtrans-55.8-38.5173-83.2165.6000112.8W120 F121 W305 I320 I321 L324 V370 I371 G378 K379 I380W120-L374 HydrophobicContact CH2-CG 4.09Å; W120-L374 HydrophobicContact CZ3-CD2 4.12Å; W120-L374 HydrophobicContact CZ3-CG 4.07Å; F121-L374 HydrophobicContact CD2-CD2 3.84Å; F121-L374 HydrophobicContact CE2-CD2 3.84Å; W305-L374 HydrophobicContact CH2-CD2 4.29Å; W305-L374 HydrophobicContact CZ3-CD1 4.36Å; W305-L374 HydrophobicContact CZ3-CD2 3.83Å; W305-L374 HydrophobicContact CZ3-CG 4.29Å; I320-L374 HydrophobicContact CG2-CD1 4.08Å; I321-L374 HydrophobicContact CD1-CD1 4.31Å; L324-L374 HydrophobicContact CD1-CD1 4.08Å; L324-L374 HydrophobicContact CD1-CD2 3.82Å; V370-L374 HydrophobicContact CG1-CD1 4.39Å; V370-L374 WeakPolarHBondContact O-CG 3.37Å; V370-L374 PolarHBondContact O-N 2.68Å; I371-L374 PolarHBondContact O-N 3.34Å; L374-G378 PolarHBondContact O-N 3.1Å; L374-K379 HydrophobicContact CD2-CB 3.8Å; L374-K379 WeakPolarHBondContact O-CB 3.42Å; L374-K379 PolarHBondContact O-N 2.81Å; L374-I380 HydrophobicContact CB-CD1 3.89Å; L374-I380 HydrophobicContact CB-CG1 3.87Å; L374-I380 HydrophobicContact CB-CG2 4.25Å; L374-I380 PolarHBondContact O-N 2.86Å
375D97.5Very high96Very high59 Ų5955.7 Ų55.732%0.31627%0.273SS..Hα-helixtrans-69.8-48.6176.6-175.969000111.6I371 R373 E377 G378 I380 K381 L382I371-D375 PolarHBondContact O-N 2.99Å; I371-D375 VanDerWaalsContact O-N 3.11Å; R373-D375 PolarHBondContact O-N 2.76Å; D375-E377 PolarHBondContact O-N 2.75Å; D375-G378 PolarHBondContact O-N 3.08Å; D375-I380 HydrophobicContact CB-CD1 4.28Å; D375-I380 HydrophobicContact CB-CG1 3.91Å; D375-K381 WeakPolarHBondContact OD1-CA 3.38Å; D375-L382 HydrophobicContact CB-CB 3.85Å; D375-L382 HydrophobicContact CB-CD2 4.49Å; D375-L382 WeakPolarHBondContact OD1-CB 3.36Å; D375-L382 PolarHBondContact OD1-N 3.32Å
376K96.9Very high96.3Very high167 Ų16754.6 Ų54.673%0.72627%0.266SS*.Hα-helixtrans-59.4-31.9176.1-178.4174.5178.3177.20113.6H372 R373 G378H372-K376 WeakPolarHBondContact O-CB 3.17Å; H372-K376 PolarHBondContact O-N 3.45Å; R373-K376 PolarHBondContact O-N 2.96Å; K376-G378 VanDerWaalsContact C-N 3.27Å
377E94.9Very high96.4Very high43 Ų4355.8 Ų55.820%0.20127%0.273CS..THydrogen-bonded Turntrans-85.13.6176.7-60.9-79.8176.800112.6S118 W120 R373 D375 K379S118-E377 WeakPolarHBondContact CB-OE2 3.15Å; S118-E377 PolarHBondContact OG-OE2 2.96Å; W120-E377 HydrophobicContact CE3-CG 4.01Å; R373-E377 HydrophobicContact CG-CG 4.13Å; R373-E377 IonicContact CZ-OE1 3.11Å; R373-E377 IonicContact NE-OE1 2.71Å; R373-E377 PolarHBondContact NE-OE1 3.07Å; R373-E377 IonicContact NH2-OE1 2.68Å; R373-E377 PolarHBondContact NH2-OE1 2.76Å; R373-E377 WeakPolarHBondContact O-CB 3.29Å; R373-E377 WeakPolarHBondContact O-CG 3.4Å; R373-E377 PolarHBondContact O-N 2.85Å; D375-E377 PolarHBondContact O-N 2.75Å; E377-K379 VanDerWaalsContact C-N 3.28Å; E377-K379 HydrophobicContact CB-CG 4.24Å; E377-K379 PolarHBondContact O-N 2.79Å
378G94.4Very high96.5Very high50 Ų5058.3 Ų58.352%0.51529%0.285SS..THydrogen-bonded Turntrans70.917.4177.300000115L374 D375 K376L374-G378 PolarHBondContact O-N 3.1Å; D375-G378 PolarHBondContact O-N 3.08Å; K376-G378 VanDerWaalsContact C-N 3.27Å
379K95.6Very high96.6Very high17 Ų1759.8 Ų59.87%0.07429%0.29CS..SBendtrans-93.5-21.7-175.1-63.5-67.1-178.7-179.20113.4I112 D114 F121 L374 E377I112-K379 WeakPolarHBondContact CG1-O 3.29Å; I112-K379 PolarHBondContact O-NZ 2.67Å; I112-K379 VanDerWaalsContact O-NZ 3.15Å; D114-K379 PolarHBondContact O-NZ 2.91Å; F121-K379 HydrophobicContact CB-CG 4.42Å; F121-K379 HydrophobicContact CD1-CD 4.02Å; F121-K379 HydrophobicContact CD1-CG 4.42Å; F121-K379 HydrophobicContact CD2-CB 4.05Å; F121-K379 HydrophobicContact CD2-CD 3.94Å; F121-K379 HydrophobicContact CD2-CG 3.53Å; F121-K379 HydrophobicContact CE1-CD 3.98Å; F121-K379 HydrophobicContact CE2-CB 3.92Å; F121-K379 HydrophobicContact CE2-CD 3.87Å; F121-K379 HydrophobicContact CE2-CG 3.75Å; F121-K379 HydrophobicContact CG-CD 4Å; F121-K379 HydrophobicContact CG-CG 3.88Å; F121-K379 HydrophobicContact CZ-CD 3.91Å; F121-K379 HydrophobicContact CZ-CG 4.32Å; L374-K379 HydrophobicContact CD2-CB 3.8Å; L374-K379 WeakPolarHBondContact O-CB 3.42Å; L374-K379 PolarHBondContact O-N 2.81Å; E377-K379 VanDerWaalsContact C-N 3.28Å; E377-K379 HydrophobicContact CB-CG 4.24Å; E377-K379 PolarHBondContact O-N 2.79Å
380I97.4Very high96.6Very high6 Ų655.4 Ų55.43%0.03127%0.27CS..SBendtrans-128.3176.5162.767.2176.4000109.5L324 V330 V332 I371 L374 D375 L382L324-I380 HydrophobicContact CD2-CG2 3.93Å; V330-I380 HydrophobicContact CB-CG2 4.12Å; V330-I380 HydrophobicContact CG1-CB 4.47Å; V330-I380 HydrophobicContact CG1-CG2 3.9Å; V330-I380 CarbonylContact O-C 3.18Å; V330-I380 VanDerWaalsContact O-CA 3.23Å; V330-I380 WeakPolarHBondContact O-CA 3.38Å; V332-I380 HydrophobicContact CB-CD1 4.19Å; V332-I380 HydrophobicContact CG2-CB 4.14Å; V332-I380 HydrophobicContact CG2-CD1 3.73Å; V332-I380 HydrophobicContact CG2-CG1 4.46Å; V332-I380 HydrophobicContact CG2-CG2 4.24Å; I371-I380 HydrophobicContact CG2-CD1 3.89Å; L374-I380 HydrophobicContact CB-CD1 3.89Å; L374-I380 HydrophobicContact CB-CG1 3.87Å; L374-I380 HydrophobicContact CB-CG2 4.25Å; L374-I380 PolarHBondContact O-N 2.86Å; D375-I380 HydrophobicContact CB-CD1 4.28Å; D375-I380 HydrophobicContact CB-CG1 3.91Å; I380-L382 HydrophobicContact CD1-CB 4.44Å
381K98.1Very high96.5Very high103 Ų10359 Ų5945%0.44829%0.287SS..EExtended strand (participates in β ladder)trans-120.5115.4160.5-68.7174.4-179.3173.60108.9V330 S331 V332 D375 Y383V330-K381 PolarHBondContact O-N 3.45Å; S331-K381 CarbonylContact C-O 3.59Å; S331-K381 WeakPolarHBondContact CA-O 3.37Å; V332-K381 PolarHBondContact N-O 2.83Å; D375-K381 WeakPolarHBondContact OD1-CA 3.38Å; K381-Y383 HydrophobicContact CB-CE2 3.78Å; K381-Y383 WeakPolarHBondContact O-CD2 3.42Å; K381-Y383 WeakPolarHBondContact O-CE2 3.39Å
382L98.1Very high96.3Very high26 Ų2662.9 Ų62.914%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-95133.8-175.7-176.263.1000111.5V332 I371 D375 I380 L384V332-L382 HydrophobicContact CB-CD1 3.97Å; V332-L382 HydrophobicContact CG1-CD1 3.74Å; I371-L382 HydrophobicContact CG2-CD1 3.74Å; I371-L382 HydrophobicContact CG2-CD2 4.05Å; I371-L382 HydrophobicContact CG2-CG 4.49Å; D375-L382 HydrophobicContact CB-CB 3.85Å; D375-L382 HydrophobicContact CB-CD2 4.49Å; D375-L382 WeakPolarHBondContact OD1-CB 3.36Å; D375-L382 PolarHBondContact OD1-N 3.32Å; I380-L382 HydrophobicContact CD1-CB 4.44Å; L382-L384 HydrophobicContact CD1-CD2 4.11Å; L382-L384 HydrophobicContact CD2-CD1 4.14Å; L382-L384 HydrophobicContact CD2-CD2 4.14Å; L382-L384 HydrophobicContact CD2-CG 4.27Å; L382-L384 HydrophobicContact CG-CD1 4.41Å; L382-L384 HydrophobicContact CG-CD2 3.96Å; L382-L384 HydrophobicContact CG-CG 4.03Å
383Y97.4Very high96.2Very high62 Ų6260.8 Ų60.824%0.24330%0.297CS..EExtended strand (participates in β ladder)trans-124.1122.7-179-62.9-94.9000110L205 V332 F333 K381L205-Y383 HydrophobicContact CD2-CD1 4.23Å; L205-Y383 HydrophobicContact CD2-CE1 3.59Å; V332-Y383 PolarHBondContact O-N 3.42Å; F333-Y383 VanDerWaalsContact CD1-CB 3.47Å; F333-Y383 HydrophobicContact CD1-CD1 4.46Å; F333-Y383 AromaticContact CD1-CD2 3.79Å; F333-Y383 HydrophobicContact CD1-CD2 3.79Å; F333-Y383 AromaticContact CD1-CG 3.67Å; F333-Y383 HydrophobicContact CD1-CG 3.67Å; F333-Y383 AromaticContact CE1-CD1 3.92Å; F333-Y383 HydrophobicContact CE1-CD1 3.92Å; F333-Y383 AromaticContact CE1-CD2 3.37Å; F333-Y383 HydrophobicContact CE1-CD2 3.37Å; F333-Y383 HydrophobicContact CE1-CE1 4.36Å; F333-Y383 AromaticContact CE1-CE2 3.87Å; F333-Y383 HydrophobicContact CE1-CE2 3.87Å; F333-Y383 AromaticContact CE1-CG 3.41Å; F333-Y383 HydrophobicContact CE1-CG 3.41Å; F333-Y383 VanDerWaalsContact CE1-CG 3.41Å; F333-Y383 HydrophobicContact CE2-CD2 4.3Å; F333-Y383 HydrophobicContact CG-CD2 4.39Å; F333-Y383 AromaticContact CZ-CD2 3.66Å; F333-Y383 HydrophobicContact CZ-CD2 3.66Å; F333-Y383 AromaticContact CZ-CE2 3.78Å; F333-Y383 HydrophobicContact CZ-CE2 3.78Å; F333-Y383 HydrophobicContact CZ-CG 4.18Å; K381-Y383 HydrophobicContact CB-CE2 3.78Å; K381-Y383 WeakPolarHBondContact O-CD2 3.42Å; K381-Y383 WeakPolarHBondContact O-CE2 3.39Å
384L87.8Confident96Very high94 Ų9457 Ų5749%0.49229%0.289SS..  trans-1270-168.1-58.7175000113.5L382L382-L384 HydrophobicContact CD1-CD2 4.11Å; L382-L384 HydrophobicContact CD2-CD1 4.14Å; L382-L384 HydrophobicContact CD2-CD2 4.14Å; L382-L384 HydrophobicContact CD2-CG 4.27Å; L382-L384 HydrophobicContact CG-CD1 4.41Å; L382-L384 HydrophobicContact CG-CD2 3.96Å; L382-L384 HydrophobicContact CG-CG 4.03Å

Retrieved 384 of 384 residues in 350.1 ms (Link to these results)

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