G4LXP4_SCHMA Loading...

Enhancer of polycomb-like protein AlphaSync

AlphaFold DB , UniProt , Accession G4LXP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 651 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low58.5Low234 Ų234135.2 Ų135.2100%1.15366%0.659SS**  0-20-131.8162.8-179.700113.7
2S47.2Very low60.4Low85 Ų85130 Ų13059%0.59463%0.632SS**  trans-90.8-14.8177.144.40000115.1F6S2-F6 WeakPolarHBondContact O-CD2 3.08Å; S2-F6 WeakPolarHBondContact O-CE2 3.39Å
3F51.8Low62Low177 Ų177125.9 Ų125.978%0.77661%0.61SS**G310 helixtrans-82.5-15.4-172.8-97.4-90.3000115.6
4F51Low63.4Low190 Ų190121.6 Ų121.683%0.83359%0.59SS**G310 helixtrans-89.6-4.9-172.1-86.6-82.9000115.3
5N53.7Low64.8Low119 Ų119118 Ų11864%0.63657%0.572SS**G310 helixtrans-1091.8179.7-83.4-26.2000114.5P7N5-P7 VanDerWaalsContact C-CD 3.47Å
6F56.1Low65.8Low119 Ų119112.4 Ų112.452%0.52255%0.547SS..  trans-69.4-34.3-174.2-91.7-83.3000117.1S2 H8 Q9 E10S2-F6 WeakPolarHBondContact O-CD2 3.08Å; S2-F6 WeakPolarHBondContact O-CE2 3.39Å; F6-H8 PolarHBondContact O-N 3.32Å; F6-H8 VanDerWaalsContact O-N 3.1Å; F6-Q9 PolarHBondContact O-N 3.23Å; F6-E10 PolarHBondContact O-N 3.41Å
7P56.5Low66.7Low62 Ų62109 Ų10940%0.40353%0.531SS..THydrogen-bonded Turntrans-65.5-25.4-171.824.3-32000112.3N5 Q9 F13N5-P7 VanDerWaalsContact C-CD 3.47Å; P7-Q9 VanDerWaalsContact C-N 3.33Å; P7-F13 VanDerWaalsContact O-CD1 3.29Å; P7-F13 WeakPolarHBondContact O-CD1 3.47Å
8H56.5Low67.7Low136 Ų136108.8 Ų108.863%0.6353%0.529SS*.THydrogen-bonded Turntrans-82.7-5.6178.1-59-52.6000114.5F6F6-H8 PolarHBondContact O-N 3.32Å; F6-H8 VanDerWaalsContact O-N 3.1Å
9Q68.9Low68.5Low147 Ų147103.7 Ų103.769%0.68751%0.507SS*.THydrogen-bonded Turntrans-113.9-2.6177.5-70.4-176.3-3.500112.7F6 P7 H11F6-Q9 PolarHBondContact O-N 3.23Å; P7-Q9 VanDerWaalsContact C-N 3.33Å; Q9-H11 PolarHBondContact O-N 3.15Å
10E75.7Confident69.2Low101 Ų101105 Ų10547%0.47252%0.515SS..  trans-72.4118.1179.1-172.3174.8173.700110.3F6 H12 F13 L14F6-E10 PolarHBondContact O-N 3.41Å; E10-H12 PolarHBondContact O-N 2.99Å; E10-F13 HydrophobicContact CB-CB 4.07Å; E10-F13 HydrophobicContact CG-CB 4.33Å; E10-F13 PolarHBondContact O-N 3.43Å; E10-L14 WeakPolarHBondContact O-CG 3.45Å; E10-L14 PolarHBondContact O-N 3.47Å
11H82.5Confident69.9Low117 Ų117107 Ų10754%0.54252%0.523SS..Hα-helixtrans-54-53.9-172.8-177-91.3000112.7Q9 F13 L14 E15Q9-H11 PolarHBondContact O-N 3.15Å; H11-F13 VanDerWaalsContact C-N 3.29Å; H11-F13 PolarHBondContact O-N 2.89Å; H11-L14 WeakPolarHBondContact O-CB 3.29Å; H11-L14 PolarHBondContact O-N 2.73Å; H11-L14 VanDerWaalsContact O-N 3.17Å; H11-E15 IonicContact CE1-OE1 3.52Å; H11-E15 PolarHBondContact CE1-OE1 2.89Å; H11-E15 IonicContact CE1-OE2 3.53Å; H11-E15 PolarHBondContact CE1-OE2 3.47Å; H11-E15 VanDerWaalsContact ND1-CD 3.25Å; H11-E15 IonicContact ND1-OE1 3.95Å; H11-E15 IonicContact ND1-OE2 3.63Å; H11-E15 PolarHBondContact ND1-OE2 3.44Å; H11-E15 IonicContact NE2-OE1 3.22Å; H11-E15 WeakPolarHBondContact O-CG 3.34Å; H11-E15 PolarHBondContact O-N 2.86Å
12H81.8Confident71.8Confident73 Ų73101.8 Ų101.834%0.33850%0.5SS..Hα-helixtrans-64.8-32.8-178.2-61.4-48.7000112.7E10 E15 V16E10-H12 PolarHBondContact O-N 2.99Å; H12-E15 IonicContact CE1-OE2 3.16Å; H12-E15 IonicContact ND1-OE2 3.61Å; H12-E15 PolarHBondContact ND1-OE2 3.31Å; H12-E15 VanDerWaalsContact ND1-OE2 3.09Å; H12-E15 PolarHBondContact O-N 3.44Å; H12-V16 WeakPolarHBondContact O-CB 3.41Å; H12-V16 WeakPolarHBondContact O-CG2 3.39Å; H12-V16 PolarHBondContact O-N 3.17Å
13F80.6Confident73Confident77 Ų77108.7 Ų108.734%0.33851%0.513SS..Hα-helixtrans-69.6-40.7175.7-170.3-108.7000111.7P7 E10 H11 V16 I17P7-F13 VanDerWaalsContact O-CD1 3.29Å; P7-F13 WeakPolarHBondContact O-CD1 3.47Å; E10-F13 HydrophobicContact CB-CB 4.07Å; E10-F13 HydrophobicContact CG-CB 4.33Å; E10-F13 PolarHBondContact O-N 3.43Å; H11-F13 VanDerWaalsContact C-N 3.29Å; H11-F13 PolarHBondContact O-N 2.89Å; F13-V16 PolarHBondContact O-N 3.04Å; F13-I17 HydrophobicContact CD1-CD1 3.61Å; F13-I17 HydrophobicContact CD1-CG1 4.42Å; F13-I17 HydrophobicContact CE1-CD1 3.19Å; F13-I17 HydrophobicContact CE1-CG1 4.19Å; F13-I17 HydrophobicContact CE2-CD1 4.46Å; F13-I17 HydrophobicContact CG-CD1 4.42Å; F13-I17 HydrophobicContact CZ-CD1 3.67Å; F13-I17 HydrophobicContact CZ-CG1 4.33Å; F13-I17 WeakPolarHBondContact O-CG1 3.28Å; F13-I17 PolarHBondContact O-N 3.12Å
14L82.6Confident73.9Confident65 Ų65103.4 Ų103.434%0.3450%0.495SS..Hα-helixtrans-63.4-42.1173.7-69.8174.2000111.6E10 H11 I17 Q18E10-L14 WeakPolarHBondContact O-CG 3.45Å; E10-L14 PolarHBondContact O-N 3.47Å; H11-L14 WeakPolarHBondContact O-CB 3.29Å; H11-L14 PolarHBondContact O-N 2.73Å; H11-L14 VanDerWaalsContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 3.37Å; L14-Q18 WeakPolarHBondContact O-CB 3.44Å; L14-Q18 WeakPolarHBondContact O-CG 3.45Å; L14-Q18 PolarHBondContact O-N 3.31Å
15E83.5Confident74.6Confident68 Ų68102.6 Ų102.632%0.31850%0.499SS..Hα-helixtrans-62.4-43.5175.4-70.3177.9133.800111.6H11 H12 Q18 A19 V28H11-E15 IonicContact CE1-OE1 3.52Å; H11-E15 PolarHBondContact CE1-OE1 2.89Å; H11-E15 IonicContact CE1-OE2 3.53Å; H11-E15 PolarHBondContact CE1-OE2 3.47Å; H11-E15 VanDerWaalsContact ND1-CD 3.25Å; H11-E15 IonicContact ND1-OE1 3.95Å; H11-E15 IonicContact ND1-OE2 3.63Å; H11-E15 PolarHBondContact ND1-OE2 3.44Å; H11-E15 IonicContact NE2-OE1 3.22Å; H11-E15 WeakPolarHBondContact O-CG 3.34Å; H11-E15 PolarHBondContact O-N 2.86Å; H12-E15 IonicContact CE1-OE2 3.16Å; H12-E15 IonicContact ND1-OE2 3.61Å; H12-E15 PolarHBondContact ND1-OE2 3.31Å; H12-E15 VanDerWaalsContact ND1-OE2 3.09Å; H12-E15 PolarHBondContact O-N 3.44Å; E15-Q18 PolarHBondContact O-N 3.37Å; E15-A19 WeakPolarHBondContact O-CB 3.48Å; E15-A19 PolarHBondContact O-N 3.36Å; E15-V28 HydrophobicContact CB-CG1 3.56Å
16V81.8Confident75.4Confident29 Ų2999.8 Ų99.818%0.17649%0.489CS..Hα-helixtrans-63.6-44.2176.8170.30000110.8H12 F13 A19 L20 V28 I30H12-V16 WeakPolarHBondContact O-CB 3.41Å; H12-V16 WeakPolarHBondContact O-CG2 3.39Å; H12-V16 PolarHBondContact O-N 3.17Å; F13-V16 PolarHBondContact O-N 3.04Å; V16-A19 PolarHBondContact O-N 3.29Å; V16-L20 HydrophobicContact CG1-CD1 3.97Å; V16-L20 WeakPolarHBondContact O-CB 3.46Å; V16-L20 VanDerWaalsContact O-CG 3.26Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 3.39Å; V16-V28 HydrophobicContact CB-CG1 4.44Å; V16-V28 HydrophobicContact CG2-CB 4.07Å; V16-V28 HydrophobicContact CG2-CG1 3.56Å; V16-I30 HydrophobicContact CG2-CG1 4.03Å
17I81Confident76.2Confident54 Ų5499.8 Ų99.828%0.27749%0.494SS..Hα-helixtrans-63.4-44176.4-72.9175.7000111.1F13 L14 L20 Q21F13-I17 HydrophobicContact CD1-CD1 3.61Å; F13-I17 HydrophobicContact CD1-CG1 4.42Å; F13-I17 HydrophobicContact CE1-CD1 3.19Å; F13-I17 HydrophobicContact CE1-CG1 4.19Å; F13-I17 HydrophobicContact CE2-CD1 4.46Å; F13-I17 HydrophobicContact CG-CD1 4.42Å; F13-I17 HydrophobicContact CZ-CD1 3.67Å; F13-I17 HydrophobicContact CZ-CG1 4.33Å; F13-I17 WeakPolarHBondContact O-CG1 3.28Å; F13-I17 PolarHBondContact O-N 3.12Å; L14-I17 PolarHBondContact O-N 3.37Å; I17-L20 PolarHBondContact O-N 3.16Å; I17-Q21 HydrophobicContact CG2-CG 4.13Å; I17-Q21 WeakPolarHBondContact O-CB 3.42Å; I17-Q21 VanDerWaalsContact O-CG 3.28Å; I17-Q21 WeakPolarHBondContact O-CG 3.39Å; I17-Q21 PolarHBondContact O-N 2.91Å
18Q84.1Confident77.2Confident105 Ų10599 Ų9949%0.49149%0.488SS..Hα-helixtrans-62.4-43.8178.2-75.7172.81600110.9L14 E15 L20 Q21 L22L14-Q18 WeakPolarHBondContact O-CB 3.44Å; L14-Q18 WeakPolarHBondContact O-CG 3.45Å; L14-Q18 PolarHBondContact O-N 3.31Å; E15-Q18 PolarHBondContact O-N 3.37Å; Q18-L20 VanDerWaalsContact C-N 3.35Å; Q18-L20 PolarHBondContact O-N 2.84Å; Q18-Q21 PolarHBondContact O-N 3.46Å; Q18-L22 VanDerWaalsContact O-CB 3.26Å; Q18-L22 WeakPolarHBondContact O-CB 3.48Å; Q18-L22 VanDerWaalsContact O-CG 3.25Å; Q18-L22 WeakPolarHBondContact O-CG 3.38Å; Q18-L22 PolarHBondContact O-N 3.28Å
19A82.9Confident78.4Confident12 Ų1299.4 Ų99.410%0.09949%0.488CS..Hα-helixtrans-60.1-43.6174.900000112.1E15 V16 R23 T24 S26 V28E15-A19 WeakPolarHBondContact O-CB 3.48Å; E15-A19 PolarHBondContact O-N 3.36Å; V16-A19 PolarHBondContact O-N 3.29Å; A19-R23 PolarHBondContact O-N 2.99Å; A19-R23 VanDerWaalsContact O-N 3.07Å; A19-T24 WeakPolarHBondContact CA-OG1 3.5Å; A19-T24 PolarHBondContact O-N 3.45Å; A19-T24 VanDerWaalsContact O-N 3.12Å; A19-T24 PolarHBondContact O-OG1 3.16Å; A19-S26 WeakPolarHBondContact CB-OG 3.41Å; A19-V28 HydrophobicContact CB-CB 4.44Å; A19-V28 HydrophobicContact CB-CG2 3.83Å
20L82.6Confident79Confident130 Ų13096.7 Ų96.768%0.68148%0.478SS*.Hα-helixtrans-66.2-40.1176.4-72.7170000112.9V16 I17 Q18V16-L20 HydrophobicContact CG1-CD1 3.97Å; V16-L20 WeakPolarHBondContact O-CB 3.46Å; V16-L20 VanDerWaalsContact O-CG 3.26Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 3.39Å; I17-L20 PolarHBondContact O-N 3.16Å; Q18-L20 VanDerWaalsContact C-N 3.35Å; Q18-L20 PolarHBondContact O-N 2.84Å
21Q84.3Confident79.5Confident147 Ų14796 Ų9669%0.68748%0.482SS*.Hα-helixtrans-71-41.4179.3-76.6177.9-900112.3I17 Q18 R23I17-Q21 HydrophobicContact CG2-CG 4.13Å; I17-Q21 WeakPolarHBondContact O-CB 3.42Å; I17-Q21 VanDerWaalsContact O-CG 3.28Å; I17-Q21 WeakPolarHBondContact O-CG 3.39Å; I17-Q21 PolarHBondContact O-N 2.91Å; Q18-Q21 PolarHBondContact O-N 3.46Å; Q21-R23 PolarHBondContact O-N 3.44Å
22L82Confident79.7Confident125 Ų12596.4 Ų96.465%0.65449%0.492SS*.Hα-helixtrans-79.2-6.5179.1-64.5171.8000112.6Q18 T24Q18-L22 VanDerWaalsContact O-CB 3.26Å; Q18-L22 WeakPolarHBondContact O-CB 3.48Å; Q18-L22 VanDerWaalsContact O-CG 3.25Å; Q18-L22 WeakPolarHBondContact O-CG 3.38Å; Q18-L22 PolarHBondContact O-N 3.28Å; L22-T24 HydrophobicContact CB-CG2 3.81Å; L22-T24 PolarHBondContact O-N 3.45Å
23R72.7Confident80.1Confident229 Ų22998.4 Ų98.486%0.86451%0.512SS*.THydrogen-bonded Turntrans49.640-173-61.3-177.2175172-1.7111.6A19 Q21A19-R23 PolarHBondContact O-N 2.99Å; A19-R23 VanDerWaalsContact O-N 3.07Å; Q21-R23 PolarHBondContact O-N 3.44Å
24T71Confident80.7Confident66 Ų66103.3 Ų103.341%0.40554%0.536SS..  trans-87.9133.8176.350.10000109A19 L22 S26A19-T24 WeakPolarHBondContact CA-OG1 3.5Å; A19-T24 PolarHBondContact O-N 3.45Å; A19-T24 VanDerWaalsContact O-N 3.12Å; A19-T24 PolarHBondContact O-OG1 3.16Å; L22-T24 HydrophobicContact CB-CG2 3.81Å; L22-T24 PolarHBondContact O-N 3.45Å; T24-S26 PolarHBondContact O-N 3.36Å; T24-S26 PolarHBondContact O-OG 3.37Å; T24-S26 PolarHBondContact OG1-OG 3Å
25D66.9Low81Confident173 Ų173108.2 Ų108.293%0.92556%0.561SS**  trans-70.119.1173.3-67.5-26.2000113D27D25-D27 PolarHBondContact O-N 2.85Å; D25-D27 VanDerWaalsContact O-N 3.17Å
26S69.1Low81.3Confident60 Ų60111.2 Ų111.242%0.4258%0.577SS.*  trans-63.3117.1174.348.80000109A19 T24 V28A19-S26 WeakPolarHBondContact CB-OG 3.41Å; T24-S26 PolarHBondContact O-N 3.36Å; T24-S26 PolarHBondContact O-OG 3.37Å; T24-S26 PolarHBondContact OG1-OG 3Å; S26-V28 PolarHBondContact O-N 3.43Å
27D72.6Confident81.6Confident119 Ų119116 Ų11664%0.63660%0.602SS**  trans-70.165.5177.4-17023.3000110.9D25 K29D25-D27 PolarHBondContact O-N 2.85Å; D25-D27 VanDerWaalsContact O-N 3.17Å; D27-K29 VanDerWaalsContact CG-NZ 3.32Å; D27-K29 PolarHBondContact O-N 3.28Å; D27-K29 WeakPolarHBondContact OD1-CD 3.46Å; D27-K29 WeakPolarHBondContact OD1-CE 3.43Å; D27-K29 WeakPolarHBondContact OD1-CG 3.41Å; D27-K29 IonicContact OD1-NZ 2.69Å; D27-K29 PolarHBondContact OD1-NZ 2.94Å; D27-K29 VanDerWaalsContact OD1-NZ 3.16Å; D27-K29 WeakPolarHBondContact OD2-CE 3.32Å; D27-K29 IonicContact OD2-NZ 3.36Å; D27-K29 PolarHBondContact OD2-NZ 2.87Å
28V78.4Confident81.9Confident46 Ų46119.8 Ų119.828%0.27962%0.617SS.*  trans-79.5105.4175.7-171.60000107.8E15 V16 A19 S26E15-V28 HydrophobicContact CB-CG1 3.56Å; V16-V28 HydrophobicContact CB-CG1 4.44Å; V16-V28 HydrophobicContact CG2-CB 4.07Å; V16-V28 HydrophobicContact CG2-CG1 3.56Å; A19-V28 HydrophobicContact CB-CB 4.44Å; A19-V28 HydrophobicContact CB-CG2 3.83Å; S26-V28 PolarHBondContact O-N 3.43Å
29K81.3Confident82Confident145 Ų145119.8 Ų119.863%0.6362%0.616SS**  trans-106.7135.2178.5-76.1167.5169.81490110.5D27D27-K29 VanDerWaalsContact CG-NZ 3.32Å; D27-K29 PolarHBondContact O-N 3.28Å; D27-K29 WeakPolarHBondContact OD1-CD 3.46Å; D27-K29 WeakPolarHBondContact OD1-CE 3.43Å; D27-K29 WeakPolarHBondContact OD1-CG 3.41Å; D27-K29 IonicContact OD1-NZ 2.69Å; D27-K29 PolarHBondContact OD1-NZ 2.94Å; D27-K29 VanDerWaalsContact OD1-NZ 3.16Å; D27-K29 WeakPolarHBondContact OD2-CE 3.32Å; D27-K29 IonicContact OD2-NZ 3.36Å; D27-K29 PolarHBondContact OD2-NZ 2.87Å
30I82.2Confident82.1Confident90 Ų90125.9 Ų125.946%0.46265%0.647SS.*PPolyproline II helixtrans-72.6122.9169.4-58.3175.3000107.2V16 V32V16-I30 HydrophobicContact CG2-CG1 4.03Å; I30-V32 PolarHBondContact O-N 3.33Å
31P86.2Confident82.3Confident85 Ų85124.6 Ų124.655%0.55264%0.641SS**PPolyproline II helixtrans-65.5129.8-179.126-33000110.8
32V86.9Confident82.5Confident126 Ų126124.1 Ų124.176%0.76463%0.634SS**PPolyproline II helixtrans-102.9128.2174.8-178.90000108.4I30I30-V32 PolarHBondContact O-N 3.33Å
33P90.5Very high82.8Confident115 Ų115124.3 Ų124.375%0.74763%0.63SS**PPolyproline II helixtrans-58.2142.2176-24.233.6000112.5
34E91.5Very high83.5Confident181 Ų181117.9 Ų117.985%0.84662%0.62SS**PPolyproline II helixtrans-69.2142.3174.8-64.8-179179.400111.4
35I90.5Very high84.3Confident168 Ų168119.2 Ų119.286%0.86263%0.627SS**  trans-89.5113175.9-56.5173.9000108.1
36I89.3Confident85.3Confident131 Ų131117.7 Ų117.767%0.67261%0.61SS**  trans-98.3116.4177.2-55.1172.6000108.6K38I36-K38 HydrophobicContact CG2-CG 4.15Å
37D87.3Confident86.1Confident129 Ų129119.7 Ų119.769%0.6962%0.621SS**  trans-80128175.1-168.8-0.1000111E39D37-E39 PolarHBondContact OD1-N 2.87Å
38K88Confident86.6Confident134 Ų134121.6 Ų121.658%0.58363%0.632SS**  trans-135.534.1178.8-64.6-167.5176.1-171.70111.7I36 N40 D41 Y42I36-K38 HydrophobicContact CG2-CG 4.15Å; K38-N40 VanDerWaalsContact C-N 3.28Å; K38-N40 PolarHBondContact O-N 3.36Å; K38-D41 PolarHBondContact O-N 3.03Å; K38-Y42 WeakPolarHBondContact O-CB 3.35Å; K38-Y42 PolarHBondContact O-N 3.24Å
39E85.9Confident87Confident104 Ų104124.5 Ų124.549%0.48665%0.654SS.*Hα-helixtrans-55.7-39-175-165.9-176.3170.500113.7D37 Y42 K43D37-E39 PolarHBondContact OD1-N 2.87Å; E39-Y42 PolarHBondContact O-N 3.1Å; E39-K43 PolarHBondContact O-N 3.29Å; E39-K43 WeakPolarHBondContact OE1-CE 3.49Å; E39-K43 IonicContact OE1-NZ 3.52Å; E39-K43 PolarHBondContact OE1-NZ 3.34Å
40N84.3Confident87.2Confident141 Ų141124.4 Ų124.475%0.75465%0.654SS**Hα-helixtrans-66.8-44.9-178.9-70.1-23.5000112.6K38 Y42K38-N40 VanDerWaalsContact C-N 3.28Å; K38-N40 PolarHBondContact O-N 3.36Å; N40-Y42 VanDerWaalsContact C-N 3.31Å
41D87.5Confident87.4Confident103 Ų103123 Ų12355%0.55165%0.652SS**Hα-helixtrans-71.1-30.2177.8-59.7-22.4000111.2K38 S44 V45K38-D41 PolarHBondContact O-N 3.03Å; D41-S44 PolarHBondContact O-N 3.38Å; D41-S44 PolarHBondContact O-OG 3.08Å; D41-V45 WeakPolarHBondContact O-CG2 3.3Å; D41-V45 PolarHBondContact O-N 3.03Å
42Y89.4Confident87.4Confident136 Ų136125.8 Ų125.853%0.53366%0.661SS.*Hα-helixtrans-64.4-45179.2179.4-93.6000112.2K38 E39 N40 S44 V45 Y46K38-Y42 WeakPolarHBondContact O-CB 3.35Å; K38-Y42 PolarHBondContact O-N 3.24Å; E39-Y42 PolarHBondContact O-N 3.1Å; N40-Y42 VanDerWaalsContact C-N 3.31Å; Y42-S44 VanDerWaalsContact C-N 3.29Å; Y42-S44 PolarHBondContact O-N 3.49Å; Y42-V45 PolarHBondContact O-N 2.82Å; Y42-Y46 AromaticContact CD2-CD2 3.78Å; Y42-Y46 HydrophobicContact CD2-CD2 3.78Å; Y42-Y46 HydrophobicContact CD2-CE2 4.32Å; Y42-Y46 AromaticContact CE2-CD2 3.7Å; Y42-Y46 HydrophobicContact CE2-CD2 3.7Å; Y42-Y46 HydrophobicContact CE2-CE2 4.3Å; Y42-Y46 HydrophobicContact CE2-CG 4.18Å; Y42-Y46 HydrophobicContact CG-CD2 4.49Å; Y42-Y46 PolarHBondContact O-N 3.49Å
43K87.5Confident87.4Confident130 Ų130121.7 Ų121.757%0.56564%0.637SS**Hα-helixtrans-68.3-25.4-178.3-71.2176.7-175163.20113.4E39E39-K43 PolarHBondContact O-N 3.29Å; E39-K43 WeakPolarHBondContact OE1-CE 3.49Å; E39-K43 IonicContact OE1-NZ 3.52Å; E39-K43 PolarHBondContact OE1-NZ 3.34Å
44S87.4Confident87.3Confident94 Ų94126.8 Ų126.866%0.65765%0.648SS**Hα-helixtrans-76.7-33.9175.965.10000112.2D41 Y42D41-S44 PolarHBondContact O-N 3.38Å; D41-S44 PolarHBondContact O-OG 3.08Å; Y42-S44 VanDerWaalsContact C-N 3.29Å; Y42-S44 PolarHBondContact O-N 3.49Å
45V88.3Confident87.1Confident93 Ų93125.5 Ų125.556%0.56464%0.642SS**Hα-helixtrans-86.7-38.7-177.1-179.90000112.7D41 Y42 P47D41-V45 WeakPolarHBondContact O-CG2 3.3Å; D41-V45 PolarHBondContact O-N 3.03Å; Y42-V45 PolarHBondContact O-N 2.82Å; V45-P47 WeakPolarHBondContact O-CD 3.46Å
46Y87.8Confident87Confident142 Ų142125.6 Ų125.656%0.55764%0.643SS**SBendtrans-114.8101.6-173-64.6-82.2000112.3Y42Y42-Y46 AromaticContact CD2-CD2 3.78Å; Y42-Y46 HydrophobicContact CD2-CD2 3.78Å; Y42-Y46 HydrophobicContact CD2-CE2 4.32Å; Y42-Y46 AromaticContact CE2-CD2 3.7Å; Y42-Y46 HydrophobicContact CE2-CD2 3.7Å; Y42-Y46 HydrophobicContact CE2-CE2 4.3Å; Y42-Y46 HydrophobicContact CE2-CG 4.18Å; Y42-Y46 HydrophobicContact CG-CD2 4.49Å; Y42-Y46 PolarHBondContact O-N 3.49Å
47P85.1Confident86.7Confident102 Ų102124.3 Ų124.366%0.66264%0.637SS**  trans-78142.3179.729.7-34.3000113.3V45 S49V45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-S49 PolarHBondContact O-N 3.24Å
48D84.3Confident86.2Confident159 Ų159124.6 Ų124.685%0.8563%0.634SS**SBendtrans-76.534.8-177.1-66.3-30.5000115.1F50D48-F50 PolarHBondContact O-N 3.17Å
49S86.1Confident85.5Confident106 Ų106124.3 Ų124.374%0.74164%0.638SS**  trans-82-6.1-171.465.60000115.3P47P47-S49 PolarHBondContact O-N 3.24Å
50F85.7Confident84.4Confident144 Ų144128.9 Ų128.963%0.63265%0.65SS**  trans-78.5125.6-173.4179.4-103.2000113D48 L52 L57D48-F50 PolarHBondContact O-N 3.17Å; F50-L52 HydrophobicContact CE1-CD1 3.95Å; F50-L52 HydrophobicContact CZ-CD1 4.46Å; F50-L57 HydrophobicContact CZ-CD1 4.27Å
51S87.1Confident83.1Confident61 Ų61126.5 Ų126.543%0.42764%0.641SS.*  trans-110.9116176.360.70000112.5P53 K410S51-P53 WeakPolarHBondContact O-CD 3.24Å; S51-K410 PolarHBondContact O-NZ 3.15Å; S51-K410 WeakPolarHBondContact OG-CE 3.49Å
52L85.4Confident81.7Confident142 Ų142128.9 Ų128.974%0.74365%0.652SS**  trans-57.5123.8-176.5-161.574.1000111.4F50F50-L52 HydrophobicContact CE1-CD1 3.95Å; F50-L52 HydrophobicContact CZ-CD1 4.46Å
53P86.6Confident80.1Confident41 Ų41128 Ų12827%0.26666%0.66SS.*  trans-65152.5171.8-21.134.8000111.7S51 Q55 L57S51-P53 WeakPolarHBondContact O-CD 3.24Å; P53-Q55 PolarHBondContact O-N 3.48Å; P53-L57 HydrophobicContact CG-CD2 3.71Å
54K88.3Confident78.4Confident221 Ų221130 Ų13096%0.96167%0.669SS**SBendtrans-65-17.1175.2-65.5-175.7178.6-1780113.4
55Q87.8Confident76.9Confident154 Ų154129.2 Ų129.272%0.7266%0.664SS**SBendtrans-111.1152.7179.9-66.7179.2-31.500109.1P53 L57P53-Q55 PolarHBondContact O-N 3.48Å; Q55-L57 PolarHBondContact O-N 3.22Å
56L88.4Confident75.3Confident171 Ų171130 Ų13090%0.89566%0.662SS**  trans-57139.1171.9-63.6174.6000110.2H58L56-H58 PolarHBondContact O-N 2.98Å
57L82.2Confident73.9Confident104 Ų104130.2 Ų130.255%0.54567%0.668SS.*  trans-63.7122.8178-67.3173.4000109.8F50 P53 Q55 I59F50-L57 HydrophobicContact CZ-CD1 4.27Å; P53-L57 HydrophobicContact CG-CD2 3.71Å; Q55-L57 PolarHBondContact O-N 3.22Å; L57-I59 HydrophobicContact CB-CG1 4.41Å
58H78.3Confident73Confident135 Ų135131.4 Ų131.463%0.62567%0.665SS**  trans-101.282177.2-159.796.3000109.7L56 R60L56-H58 PolarHBondContact O-N 2.98Å; H58-R60 PolarHBondContact CD2-NE 3.16Å; H58-R60 VanDerWaalsContact CD2-NE 3.29Å; H58-R60 PolarHBondContact CE1-NH2 3.01Å; H58-R60 WeakPolarHBondContact NE2-CG 3.49Å; H58-R60 PolarHBondContact NE2-NE 3.37Å; H58-R60 PolarHBondContact NE2-NH2 2.94Å; H58-R60 PolarHBondContact O-N 3.3Å
59I72.8Confident72.6Confident128 Ų128128.5 Ų128.566%0.65665%0.654SS**  trans-84.3104.9178.8-55.5174.1000108L57 I62L57-I59 HydrophobicContact CB-CG1 4.41Å; I59-I62 HydrophobicContact CG2-CG1 4.15Å
60R61.6Low72.6Confident200 Ų200127 Ų12776%0.75564%0.637SS**  trans-90.2-32.5177.3-90.6173.7-172166.414.8113.9H58H58-R60 PolarHBondContact CD2-NE 3.16Å; H58-R60 VanDerWaalsContact CD2-NE 3.29Å; H58-R60 PolarHBondContact CE1-NH2 3.01Å; H58-R60 WeakPolarHBondContact NE2-CG 3.49Å; H58-R60 PolarHBondContact NE2-NE 3.37Å; H58-R60 PolarHBondContact NE2-NH2 2.94Å; H58-R60 PolarHBondContact O-N 3.3Å
61T57.7Low72.6Confident90 Ų90125.3 Ų125.355%0.55263%0.631SS**  trans-178.8132177.527.40000108.7V63T61-V63 PolarHBondContact O-N 2.88Å
62I57.5Low72.9Confident153 Ų153123 Ų12379%0.78561%0.613SS**SBendtrans-78.4-2.4178.2-66.3166.2000111.8I59I59-I62 HydrophobicContact CG2-CG1 4.15Å
63V55.9Low73.2Confident117 Ų117122.1 Ų122.171%0.70961%0.609SS**  trans-107.731.9-156.7-160.30000114.8T61T61-V63 PolarHBondContact O-N 2.88Å
64F52.8Low73.5Confident172 Ų172121.4 Ų121.475%0.75460%0.603SS**  trans-131.927.1178-66.4-67.4000114.7E66F64-E66 PolarHBondContact O-N 3.5Å
65S55.7Low73.8Confident78 Ų78114.1 Ų114.155%0.54557%0.574SS.*  trans-69114.5151.5-76.60000106.5E67S65-E67 WeakPolarHBondContact CB-O 3.27Å; S65-E67 CarbonylContact O-C 3.57Å; S65-E67 PolarHBondContact O-N 3.45Å
66E55.4Low74Confident111 Ų111110.9 Ų110.952%0.51957%0.569SS.*SBendtrans-63.5-19.2174.4-68.1179.2-165.800111.7F64 E68 S424F64-E66 PolarHBondContact O-N 3.5Å; E66-E68 PolarHBondContact O-N 2.96Å; E66-S424 WeakPolarHBondContact OE2-CB 3.4Å; E66-S424 PolarHBondContact OE2-OG 2.93Å
67E58.1Low74.3Confident145 Ų145107.2 Ų107.268%0.67855%0.547SS*.SBendtrans-82.6101.9163.2-158.2157.3-148.700107.3S65S65-E67 WeakPolarHBondContact CB-O 3.27Å; S65-E67 CarbonylContact O-C 3.57Å; S65-E67 PolarHBondContact O-N 3.45Å
68E65.9Low74.9Confident128 Ų128102.2 Ų102.260%0.59852%0.521SS*.PPolyproline II helixtrans-54.1121.5171.4-162.9174.8-16000106.3E66 I70 R103E66-E68 PolarHBondContact O-N 2.96Å; E68-I70 PolarHBondContact O-N 2.97Å; E68-R103 VanDerWaalsContact CB-NH1 3.26Å; E68-R103 VanDerWaalsContact CD-CZ 3.44Å; E68-R103 IonicContact OE1-CZ 2.77Å; E68-R103 IonicContact OE1-NH1 2.83Å; E68-R103 IonicContact OE2-CZ 3.01Å; E68-R103 IonicContact OE2-NE 3.04Å; E68-R103 IonicContact OE2-NH1 2.64Å; E68-R103 PolarHBondContact OE2-NH1 2.93Å
69P76.1Confident75.6Confident98 Ų98100.5 Ų100.564%0.63651%0.513SS*.PPolyproline II helixtrans-53.8137.8-174.922.9-32.7000108.8E71 R103P69-E71 PolarHBondContact O-N 3.35Å; P69-E71 VanDerWaalsContact O-N 3.13Å; P69-R103 PolarHBondContact O-NH2 3.35Å; P69-R103 VanDerWaalsContact O-NH2 3.07Å
70I85.1Confident76.6Confident73 Ų7399.7 Ų99.737%0.37451%0.506SS..PPolyproline II helixtrans-56120.1169.9-60.6166.7000105.3E68 E95 D99E68-I70 PolarHBondContact O-N 2.97Å; I70-E95 HydrophobicContact CG2-CB 3.88Å; I70-D99 HydrophobicContact CG2-CB 4.04Å
71E87Confident78.1Confident110 Ų11093 Ų9351%0.51448%0.482SS..  trans-102.9-14.3-176.1-173.4174.8-163.800111.2P69 D99 R103 L145P69-E71 PolarHBondContact O-N 3.35Å; P69-E71 VanDerWaalsContact O-N 3.13Å; E71-D99 PolarHBondContact N-OD1 3Å; E71-R103 IonicContact OE2-NH2 2.75Å; E71-R103 PolarHBondContact OE2-NH2 2.86Å; E71-L145 HydrophobicContact CB-CD2 4.12Å; E71-L145 HydrophobicContact CG-CD2 4.21Å
72Y92.6Very high79.8Confident12 Ų1290.5 Ų90.55%0.04746%0.463CS..  trans-79.5119.5174.5-165.3-88.5000110.5D78 E95 I98 K136 L144 L145Y72-D78 VanDerWaalsContact CE1-OD2 3.29Å; Y72-D78 WeakPolarHBondContact CE1-OD2 3.35Å; Y72-D78 VanDerWaalsContact CZ-OD2 3.32Å; Y72-D78 PolarHBondContact OH-OD1 3.5Å; Y72-D78 PolarHBondContact OH-OD2 3.35Å; Y72-E95 HydrophobicContact CD1-CG 4.39Å; Y72-E95 WeakPolarHBondContact O-CB 2.92Å; Y72-E95 WeakPolarHBondContact O-CG 3.3Å; Y72-I98 HydrophobicContact CD1-CB 3.88Å; Y72-I98 HydrophobicContact CD1-CG2 3.81Å; Y72-I98 HydrophobicContact CD2-CB 4.38Å; Y72-I98 HydrophobicContact CD2-CG2 3.51Å; Y72-I98 HydrophobicContact CE1-CB 4.04Å; Y72-I98 HydrophobicContact CE1-CG1 4.31Å; Y72-I98 HydrophobicContact CE1-CG2 3.73Å; Y72-I98 HydrophobicContact CE2-CG2 3.42Å; Y72-I98 VanDerWaalsContact CE2-CG2 3.42Å; Y72-I98 HydrophobicContact CG-CB 4.06Å; Y72-I98 HydrophobicContact CG-CG2 3.7Å; Y72-K136 PolarHBondContact OH-NZ 3.31Å; Y72-L144 HydrophobicContact CE2-CB 3.88Å; Y72-L144 HydrophobicContact CE2-CD1 4.47Å; Y72-L145 HydrophobicContact CD2-CD2 3.99Å; Y72-L145 HydrophobicContact CG-CD2 4.49Å
73D92.4Very high81.4Confident124 Ų12490.5 Ų90.566%0.66346%0.459SS*.  trans-105.8136.1169.9-62.6-32.5000108.5D75D73-D75 PolarHBondContact O-N 3.4Å
74M92.9Very high83.1Confident25 Ų2592.3 Ų92.312%0.12346%0.458CS..  trans-61.4130.9174.9-71177.566.900111.4D78 E79 F82 P91 F94 E95M74-D78 HydrophobicContact CB-CB 3.87Å; M74-D78 HydrophobicContact CE-CB 3.93Å; M74-D78 HydrophobicContact CG-CB 4.04Å; M74-E79 HydrophobicContact CB-CG 4.41Å; M74-E79 HydrophobicContact CE-CG 4.25Å; M74-F82 HydrophobicContact CE-CB 3.55Å; M74-F82 HydrophobicContact CE-CD1 4.25Å; M74-F82 HydrophobicContact CE-CD2 4.14Å; M74-F82 HydrophobicContact CE-CG 3.74Å; M74-P91 HydrophobicContact SD-CB 3.82Å; M74-F94 HydrophobicContact CE-CD1 3.89Å; M74-F94 HydrophobicContact CE-CE1 4.09Å; M74-F94 HydrophobicContact CG-CD1 3.65Å; M74-F94 HydrophobicContact CG-CE1 3.91Å; M74-F94 HydrophobicContact SD-CD1 3.55Å; M74-F94 VanDerWaalsContact SD-CD1 3.55Å; M74-F94 HydrophobicContact SD-CE1 4.19Å; M74-F94 HydrophobicContact SD-CG 4.4Å; M74-E95 HydrophobicContact CG-CG 3.6Å; M74-E95 PolarHBondContact N-OE1 3.43Å; M74-E95 VanDerWaalsContact N-OE1 3.08Å; M74-E95 HydrophobicContact SD-CG 4.25Å
75D93.2Very high84.7Confident68 Ų6885.7 Ų85.736%0.36443%0.433SS..  trans-90.5177.7168.466.417.5000112D73 E77 D78 E79 K136D73-D75 PolarHBondContact O-N 3.4Å; D75-E77 PolarHBondContact O-N 2.84Å; D75-E77 WeakPolarHBondContact OD1-CB 3.5Å; D75-E77 PolarHBondContact OD1-N 3.35Å; D75-E77 VanDerWaalsContact OD1-N 3.13Å; D75-D78 PolarHBondContact N-OD2 2.91Å; D75-D78 VanDerWaalsContact N-OD2 3.15Å; D75-D78 WeakPolarHBondContact O-CB 3.28Å; D75-D78 PolarHBondContact O-N 3.47Å; D75-D78 VanDerWaalsContact O-N 3.11Å; D75-D78 PolarHBondContact OD1-N 3.48Å; D75-E79 WeakPolarHBondContact O-CG 3.02Å; D75-E79 PolarHBondContact O-N 3.2Å; D75-K136 IonicContact OD1-NZ 3.57Å; D75-K136 PolarHBondContact OD1-NZ 2.99Å; D75-K136 WeakPolarHBondContact OD2-CE 3.34Å; D75-K136 IonicContact OD2-NZ 3.52Å; D75-K136 PolarHBondContact OD2-NZ 3.11Å
76S93.2Very high86.1Confident87 Ų8789 Ų8961%0.60845%0.445SS*.Hα-helixtrans-61.2-29.5-179.7-51.80000113.2E80S76-E80 WeakPolarHBondContact O-CG 3.37Å; S76-E80 PolarHBondContact O-N 3.49Å
77E93.4Very high87.5Confident93 Ų9386 Ų8644%0.43543%0.432SS..Hα-helixtrans-71.5-40.3175.7-173.2-175.1178.500111D75 E80 W81D75-E77 PolarHBondContact O-N 2.84Å; D75-E77 WeakPolarHBondContact OD1-CB 3.5Å; D75-E77 PolarHBondContact OD1-N 3.35Å; D75-E77 VanDerWaalsContact OD1-N 3.13Å; E77-E80 PolarHBondContact O-N 3.16Å; E77-W81 WeakPolarHBondContact O-CB 3.47Å; E77-W81 PolarHBondContact O-N 2.99Å
78D94.8Very high88.9Confident0 Ų082.9 Ų82.90%044%0.438CS..Hα-helixtrans-61.8-47.1174.6-68.2-33.5000111Y72 M74 D75 E80 W81 F82 F94 Y132 K136Y72-D78 VanDerWaalsContact CE1-OD2 3.29Å; Y72-D78 WeakPolarHBondContact CE1-OD2 3.35Å; Y72-D78 VanDerWaalsContact CZ-OD2 3.32Å; Y72-D78 PolarHBondContact OH-OD1 3.5Å; Y72-D78 PolarHBondContact OH-OD2 3.35Å; M74-D78 HydrophobicContact CB-CB 3.87Å; M74-D78 HydrophobicContact CE-CB 3.93Å; M74-D78 HydrophobicContact CG-CB 4.04Å; D75-D78 PolarHBondContact N-OD2 2.91Å; D75-D78 VanDerWaalsContact N-OD2 3.15Å; D75-D78 WeakPolarHBondContact O-CB 3.28Å; D75-D78 PolarHBondContact O-N 3.47Å; D75-D78 VanDerWaalsContact O-N 3.11Å; D75-D78 PolarHBondContact OD1-N 3.48Å; D78-E80 VanDerWaalsContact C-N 3.34Å; D78-E80 PolarHBondContact O-N 3.3Å; D78-W81 PolarHBondContact O-N 3.13Å; D78-F82 WeakPolarHBondContact O-CB 3.32Å; D78-F82 PolarHBondContact O-N 3.15Å; D78-F94 HydrophobicContact CB-CE1 3.99Å; D78-Y132 WeakPolarHBondContact CA-OH 3.4Å; D78-Y132 PolarHBondContact N-OH 3.28Å; D78-Y132 WeakPolarHBondContact OD1-CE1 3.47Å; D78-Y132 PolarHBondContact OD1-OH 3.28Å; D78-K136 IonicContact OD1-NZ 3.09Å; D78-K136 PolarHBondContact OD1-NZ 3.12Å; D78-K136 IonicContact OD2-NZ 2.91Å; D78-K136 PolarHBondContact OD2-NZ 3.05Å
79E93.5Very high90Very high99 Ų9978.3 Ų78.346%0.46342%0.417SS..Hα-helixtrans-59.3-45178.9-71.5178.2175.600111.8M74 D75 F82 Q83M74-E79 HydrophobicContact CB-CG 4.41Å; M74-E79 HydrophobicContact CE-CG 4.25Å; D75-E79 WeakPolarHBondContact O-CG 3.02Å; D75-E79 PolarHBondContact O-N 3.2Å; E79-F82 PolarHBondContact O-N 3.33Å; E79-Q83 WeakPolarHBondContact O-CB 3.46Å; E79-Q83 VanDerWaalsContact O-CG 3.24Å; E79-Q83 WeakPolarHBondContact O-CG 3.49Å; E79-Q83 PolarHBondContact O-N 3.44Å
80E93.9Very high90.8Very high110 Ų11077.4 Ų77.451%0.51441%0.411SS..Hα-helixtrans-63.6-44.4176.8-81.7-164.6-152.300112.7S76 E77 D78 K84S76-E80 WeakPolarHBondContact O-CG 3.37Å; S76-E80 PolarHBondContact O-N 3.49Å; E77-E80 PolarHBondContact O-N 3.16Å; D78-E80 VanDerWaalsContact C-N 3.34Å; D78-E80 PolarHBondContact O-N 3.3Å; E80-K84 WeakPolarHBondContact O-CD 3.22Å; E80-K84 VanDerWaalsContact O-CG 3.24Å; E80-K84 WeakPolarHBondContact O-CG 3.44Å; E80-K84 PolarHBondContact O-N 2.96Å; E80-K84 IonicContact OE2-NZ 3.99Å; E80-K84 PolarHBondContact OE2-NZ 3.43Å
81W94.2Very high91.2Very high61 Ų6177.1 Ų77.123%0.23141%0.413CS..Hα-helixtrans-66.1-44178.3178.686.4000111E77 D78 Q83 K84 S85 L87 F94 V129 Y132E77-W81 WeakPolarHBondContact O-CB 3.47Å; E77-W81 PolarHBondContact O-N 2.99Å; D78-W81 PolarHBondContact O-N 3.13Å; W81-Q83 PolarHBondContact O-N 2.84Å; W81-K84 PolarHBondContact O-N 2.93Å; W81-K84 VanDerWaalsContact O-N 3.15Å; W81-S85 WeakPolarHBondContact O-CB 3.4Å; W81-S85 PolarHBondContact O-N 2.93Å; W81-S85 PolarHBondContact O-OG 3Å; W81-L87 HydrophobicContact CH2-CD1 3.61Å; W81-L87 HydrophobicContact CZ3-CD1 3.85Å; W81-F94 AromaticContact CE3-CE2 3.93Å; W81-F94 HydrophobicContact CE3-CE2 3.93Å; W81-F94 HydrophobicContact CE3-CZ 4.16Å; W81-F94 HydrophobicContact CH2-CE2 4.29Å; W81-F94 HydrophobicContact CZ3-CD2 4.07Å; W81-F94 AromaticContact CZ3-CE2 3.38Å; W81-F94 HydrophobicContact CZ3-CE2 3.38Å; W81-F94 HydrophobicContact CZ3-CZ 4.07Å; W81-V129 HydrophobicContact CH2-CG2 4.4Å; W81-Y132 HydrophobicContact CB-CD2 4.21Å; W81-Y132 HydrophobicContact CB-CE2 3.59Å; W81-Y132 AromaticContact CD1-CD2 3.3Å; W81-Y132 AromaticContact CD1-CE2 3.5Å; W81-Y132 VanDerWaalsContact CD1-CE2 3.5Å; W81-Y132 HydrophobicContact CD2-CD1 4.05Å; W81-Y132 AromaticContact CD2-CD2 3.48Å; W81-Y132 HydrophobicContact CD2-CD2 3.48Å; W81-Y132 VanDerWaalsContact CD2-CD2 3.48Å; W81-Y132 HydrophobicContact CD2-CE1 4.32Å; W81-Y132 AromaticContact CD2-CE2 3.77Å; W81-Y132 HydrophobicContact CD2-CE2 3.77Å; W81-Y132 AromaticContact CD2-CG 3.61Å; W81-Y132 HydrophobicContact CD2-CG 3.61Å; W81-Y132 AromaticContact CE2-CD2 3.45Å; W81-Y132 VanDerWaalsContact CE2-CD2 3.45Å; W81-Y132 AromaticContact CE2-CG 3.51Å; W81-Y132 HydrophobicContact CE3-CD1 4.02Å; W81-Y132 HydrophobicContact CE3-CD2 4.28Å; W81-Y132 HydrophobicContact CE3-CE1 4.27Å; W81-Y132 HydrophobicContact CE3-CG 4.01Å; W81-Y132 AromaticContact CG-CD2 3.4Å; W81-Y132 HydrophobicContact CG-CD2 3.4Å; W81-Y132 AromaticContact CG-CE2 3.3Å; W81-Y132 HydrophobicContact CG-CE2 3.3Å; W81-Y132 HydrophobicContact CG-CG 4.06Å; W81-Y132 AromaticContact CG-CZ 3.91Å; W81-Y132 HydrophobicContact CH2-CG 4.18Å; W81-Y132 VanDerWaalsContact CZ2-CB 3.42Å; W81-Y132 HydrophobicContact CZ2-CD2 4.2Å; W81-Y132 AromaticContact CZ2-CG 3.81Å; W81-Y132 HydrophobicContact CZ2-CG 3.81Å; W81-Y132 HydrophobicContact CZ3-CD1 4.27Å; W81-Y132 HydrophobicContact CZ3-CG 4.3Å; W81-Y132 AromaticContact NE1-CD2 3.32Å; W81-Y132 VanDerWaalsContact NE1-CD2 3.32Å; W81-Y132 AromaticContact NE1-CG 3.86Å
82F91.9Very high91.4Very high37 Ų3778.7 Ų78.716%0.16242%0.421CS..Hα-helixtrans-59.7-46.9-179.7-175.9-96.9000111.3M74 D78 E79 K84 S85 I89 P91 F94M74-F82 HydrophobicContact CE-CB 3.55Å; M74-F82 HydrophobicContact CE-CD1 4.25Å; M74-F82 HydrophobicContact CE-CD2 4.14Å; M74-F82 HydrophobicContact CE-CG 3.74Å; D78-F82 WeakPolarHBondContact O-CB 3.32Å; D78-F82 PolarHBondContact O-N 3.15Å; E79-F82 PolarHBondContact O-N 3.33Å; F82-K84 VanDerWaalsContact C-N 3.31Å; F82-K84 PolarHBondContact O-N 2.68Å; F82-S85 PolarHBondContact O-N 3Å; F82-S85 PolarHBondContact O-OG 3.32Å; F82-I89 HydrophobicContact CE2-CD1 3.85Å; F82-I89 HydrophobicContact CE2-CG1 3.67Å; F82-I89 HydrophobicContact CZ-CG1 4.13Å; F82-I89 VanDerWaalsContact CZ-O 3.28Å; F82-I89 WeakPolarHBondContact CZ-O 3.41Å; F82-P91 HydrophobicContact CE1-CG 4.09Å; F82-P91 HydrophobicContact CZ-CG 4.28Å; F82-F94 HydrophobicContact CD2-CB 4.01Å; F82-F94 HydrophobicContact CD2-CD1 4.45Å; F82-F94 HydrophobicContact CD2-CD2 4.12Å; F82-F94 AromaticContact CD2-CG 3.93Å; F82-F94 HydrophobicContact CD2-CG 3.93Å; F82-F94 HydrophobicContact CE2-CB 3.7Å; F82-F94 HydrophobicContact CE2-CD2 4.49Å; F82-F94 HydrophobicContact CE2-CG 4.15Å
83Q90.9Very high91.4Very high152 Ų15281.9 Ų81.971%0.7144%0.435SS*.Hα-helixtrans-61.1-36.6175.8-73.2175.218.500113E79 W81E79-Q83 WeakPolarHBondContact O-CB 3.46Å; E79-Q83 VanDerWaalsContact O-CG 3.24Å; E79-Q83 WeakPolarHBondContact O-CG 3.49Å; E79-Q83 PolarHBondContact O-N 3.44Å; W81-Q83 PolarHBondContact O-N 2.84Å
84K92.6Very high91.5Very high155 Ų15576 Ų7667%0.67440%0.403SS*.Hα-helixtrans-76.1-27.1179.2-68.9164.8-167.1158.40112.9E80 W81 F82E80-K84 WeakPolarHBondContact O-CD 3.22Å; E80-K84 VanDerWaalsContact O-CG 3.24Å; E80-K84 WeakPolarHBondContact O-CG 3.44Å; E80-K84 PolarHBondContact O-N 2.96Å; E80-K84 IonicContact OE2-NZ 3.99Å; E80-K84 PolarHBondContact OE2-NZ 3.43Å; W81-K84 PolarHBondContact O-N 2.93Å; W81-K84 VanDerWaalsContact O-N 3.15Å; F82-K84 VanDerWaalsContact C-N 3.31Å; F82-K84 PolarHBondContact O-N 2.68Å
85S86.7Confident91.5Very high34 Ų3476.6 Ų76.624%0.23841%0.406CS..Hα-helixtrans-79.8-20.4-170.869.30000115.1W81 F82 L87W81-S85 WeakPolarHBondContact O-CB 3.4Å; W81-S85 PolarHBondContact O-N 2.93Å; W81-S85 PolarHBondContact O-OG 3Å; F82-S85 PolarHBondContact O-N 3Å; F82-S85 PolarHBondContact O-OG 3.32Å; S85-L87 VanDerWaalsContact C-N 3.28Å; S85-L87 PolarHBondContact O-N 2.79Å; S85-L87 WeakPolarHBondContact OG-CD1 3.35Å; S85-L87 WeakPolarHBondContact OG-CG 3.38Å
86D84.8Confident91.5Very high147 Ų14774.5 Ų74.579%0.78640%0.396SS*.  trans41.649.4-178.7-162.919.1000114.2G88D86-G88 VanDerWaalsContact C-N 3.28Å; D86-G88 PolarHBondContact O-N 2.83Å
87L84.8Confident91.5Very high49 Ų4970.5 Ų70.526%0.25737%0.368SS..  trans-78.8-5.6-173.8-68.2172.3000114.5W81 S85 I89 L125 A128 V129W81-L87 HydrophobicContact CH2-CD1 3.61Å; W81-L87 HydrophobicContact CZ3-CD1 3.85Å; S85-L87 VanDerWaalsContact C-N 3.28Å; S85-L87 PolarHBondContact O-N 2.79Å; S85-L87 WeakPolarHBondContact OG-CD1 3.35Å; S85-L87 WeakPolarHBondContact OG-CG 3.38Å; L87-I89 HydrophobicContact CB-CG1 3.95Å; L87-I89 PolarHBondContact O-N 3.33Å; L87-L125 HydrophobicContact CB-CD1 3.88Å; L87-L125 HydrophobicContact CD1-CD1 4.02Å; L87-L125 HydrophobicContact CD2-CD1 4.13Å; L87-L125 HydrophobicContact CG-CD1 4.23Å; L87-A128 HydrophobicContact CD2-CB 3.98Å; L87-V129 HydrophobicContact CD1-CG2 4.16Å
88G87Confident91.5Very high78 Ų7866.1 Ų66.180%0.80435%0.348SS*.  trans63.724.7-178.800000114.8D86D86-G88 VanDerWaalsContact C-N 3.28Å; D86-G88 PolarHBondContact O-N 2.83Å
89I89.8Confident91.3Very high32 Ų3266.5 Ų66.516%0.16435%0.35CS..  trans-109.8163.1176.456.8160.4000111.4F82 L87 F94 M97 L125F82-I89 HydrophobicContact CE2-CD1 3.85Å; F82-I89 HydrophobicContact CE2-CG1 3.67Å; F82-I89 HydrophobicContact CZ-CG1 4.13Å; F82-I89 VanDerWaalsContact CZ-O 3.28Å; F82-I89 WeakPolarHBondContact CZ-O 3.41Å; L87-I89 HydrophobicContact CB-CG1 3.95Å; L87-I89 PolarHBondContact O-N 3.33Å; I89-F94 HydrophobicContact CD1-CB 3.77Å; I89-F94 HydrophobicContact CD1-CD2 4.37Å; I89-M97 HydrophobicContact CD1-SD 4.47Å; I89-L125 HydrophobicContact CD1-CD1 4.09Å; I89-L125 HydrophobicContact CG1-CD1 4.38Å; I89-L125 HydrophobicContact CG2-CD1 3.86Å; I89-L125 HydrophobicContact CG2-CD2 3.68Å; I89-L125 HydrophobicContact CG2-CG 4.42Å
90T92.4Very high91.2Very high80 Ų8066.8 Ų66.849%0.49135%0.346SS..  trans-81.9152.317255.80000110.9E92 K93 F94T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 PolarHBondContact O-N 3.08Å; T90-K93 PolarHBondContact O-N 3.06Å; T90-K93 WeakPolarHBondContact OG1-CB 3.49Å; T90-K93 PolarHBondContact OG1-N 3.15Å; T90-F94 PolarHBondContact O-N 3Å; T90-F94 VanDerWaalsContact O-N 3.12Å
91P92.4Very high91.1Very high67 Ų6761.5 Ų61.544%0.43532%0.322SS..Hα-helixtrans-52.5-45.3173.8-28.236000112.8M74 F82 K93 F94 E95M74-P91 HydrophobicContact SD-CB 3.82Å; F82-P91 HydrophobicContact CE1-CG 4.09Å; F82-P91 HydrophobicContact CZ-CG 4.28Å; P91-K93 PolarHBondContact O-N 2.76Å; P91-F94 WeakPolarHBondContact O-CA 3.48Å; P91-F94 WeakPolarHBondContact O-CB 3.4Å; P91-F94 PolarHBondContact O-N 3.23Å; P91-E95 WeakPolarHBondContact O-CG 3.49Å; P91-E95 PolarHBondContact O-N 3.29Å
92E91.5Very high90.9Very high143 Ų14359.2 Ų59.267%0.66831%0.314SS*.Hα-helixtrans-57-36.2177-60.6177.2173.500112.9T90 S96T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 PolarHBondContact O-N 3.08Å; E92-S96 WeakPolarHBondContact O-CB 3.44Å; E92-S96 PolarHBondContact O-N 3.23Å
93K92.3Very high90.8Very high78 Ų7861 Ų6134%0.33932%0.319SS..Hα-helixtrans-73.4-37.9177.4-177.6148.8-178.1171.70111.1T90 P91 S96 M97 D121T90-K93 PolarHBondContact O-N 3.06Å; T90-K93 WeakPolarHBondContact OG1-CB 3.49Å; T90-K93 PolarHBondContact OG1-N 3.15Å; P91-K93 PolarHBondContact O-N 2.76Å; K93-S96 PolarHBondContact O-N 2.83Å; K93-M97 HydrophobicContact CG-SD 4.49Å; K93-M97 VanDerWaalsContact O-CG 3.26Å; K93-M97 WeakPolarHBondContact O-CG 3.42Å; K93-M97 PolarHBondContact O-N 3.13Å; K93-D121 WeakPolarHBondContact CE-OD2 3.43Å; K93-D121 VanDerWaalsContact NZ-CG 3.26Å; K93-D121 IonicContact NZ-OD1 3.78Å; K93-D121 PolarHBondContact NZ-OD1 2.87Å; K93-D121 IonicContact NZ-OD2 2.96Å; K93-D121 PolarHBondContact NZ-OD2 3.39Å
94F94.3Very high90.5Very high0 Ų056 Ų560%031%0.308CS..Hα-helixtrans-60.6-48.8173.2175-99.4000111.4M74 D78 W81 F82 I89 T90 P91 S96 M97 I98 V129 Y132M74-F94 HydrophobicContact CE-CD1 3.89Å; M74-F94 HydrophobicContact CE-CE1 4.09Å; M74-F94 HydrophobicContact CG-CD1 3.65Å; M74-F94 HydrophobicContact CG-CE1 3.91Å; M74-F94 HydrophobicContact SD-CD1 3.55Å; M74-F94 VanDerWaalsContact SD-CD1 3.55Å; M74-F94 HydrophobicContact SD-CE1 4.19Å; M74-F94 HydrophobicContact SD-CG 4.4Å; D78-F94 HydrophobicContact CB-CE1 3.99Å; W81-F94 AromaticContact CE3-CE2 3.93Å; W81-F94 HydrophobicContact CE3-CE2 3.93Å; W81-F94 HydrophobicContact CE3-CZ 4.16Å; W81-F94 HydrophobicContact CH2-CE2 4.29Å; W81-F94 HydrophobicContact CZ3-CD2 4.07Å; W81-F94 AromaticContact CZ3-CE2 3.38Å; W81-F94 HydrophobicContact CZ3-CE2 3.38Å; W81-F94 HydrophobicContact CZ3-CZ 4.07Å; F82-F94 HydrophobicContact CD2-CB 4.01Å; F82-F94 HydrophobicContact CD2-CD1 4.45Å; F82-F94 HydrophobicContact CD2-CD2 4.12Å; F82-F94 AromaticContact CD2-CG 3.93Å; F82-F94 HydrophobicContact CD2-CG 3.93Å; F82-F94 HydrophobicContact CE2-CB 3.7Å; F82-F94 HydrophobicContact CE2-CD2 4.49Å; F82-F94 HydrophobicContact CE2-CG 4.15Å; I89-F94 HydrophobicContact CD1-CB 3.77Å; I89-F94 HydrophobicContact CD1-CD2 4.37Å; T90-F94 PolarHBondContact O-N 3Å; T90-F94 VanDerWaalsContact O-N 3.12Å; P91-F94 WeakPolarHBondContact O-CA 3.48Å; P91-F94 WeakPolarHBondContact O-CB 3.4Å; P91-F94 PolarHBondContact O-N 3.23Å; F94-S96 VanDerWaalsContact C-N 3.33Å; F94-S96 PolarHBondContact O-N 2.93Å; F94-M97 WeakPolarHBondContact O-CB 3.27Å; F94-M97 PolarHBondContact O-N 2.66Å; F94-I98 HydrophobicContact CD1-CG1 4.28Å; F94-I98 HydrophobicContact CD2-CG1 4.42Å; F94-I98 HydrophobicContact CE1-CG1 3.85Å; F94-I98 HydrophobicContact CE2-CD1 4.01Å; F94-I98 HydrophobicContact CE2-CG1 3.98Å; F94-I98 HydrophobicContact CZ-CD1 3.9Å; F94-I98 HydrophobicContact CZ-CG1 3.7Å; F94-I98 WeakPolarHBondContact O-CG1 3.37Å; F94-I98 PolarHBondContact O-N 3.17Å; F94-V129 HydrophobicContact CD2-CG1 4.41Å; F94-V129 HydrophobicContact CD2-CG2 4.26Å; F94-V129 HydrophobicContact CE2-CG1 4.21Å; F94-V129 HydrophobicContact CE2-CG2 4.42Å; F94-Y132 HydrophobicContact CE2-CD1 4.33Å; F94-Y132 AromaticContact CZ-CD1 3.99Å; F94-Y132 HydrophobicContact CZ-CD1 3.99Å; F94-Y132 AromaticContact CZ-CE1 3.87Å; F94-Y132 HydrophobicContact CZ-CE1 3.87Å
95E94.2Very high90.1Very high39 Ų3948.8 Ų48.818%0.18228%0.278CS..Hα-helixtrans-55.6-46.7174.9-70.8173.3161.800111.7I70 Y72 M74 P91 M97 I98 D99I70-E95 HydrophobicContact CG2-CB 3.88Å; Y72-E95 HydrophobicContact CD1-CG 4.39Å; Y72-E95 WeakPolarHBondContact O-CB 2.92Å; Y72-E95 WeakPolarHBondContact O-CG 3.3Å; M74-E95 HydrophobicContact CG-CG 3.6Å; M74-E95 PolarHBondContact N-OE1 3.43Å; M74-E95 VanDerWaalsContact N-OE1 3.08Å; M74-E95 HydrophobicContact SD-CG 4.25Å; P91-E95 WeakPolarHBondContact O-CG 3.49Å; P91-E95 PolarHBondContact O-N 3.29Å; E95-M97 VanDerWaalsContact C-N 3.28Å; E95-M97 PolarHBondContact O-N 3.05Å; E95-I98 PolarHBondContact O-N 2.86Å; E95-D99 VanDerWaalsContact O-CB 3.27Å; E95-D99 WeakPolarHBondContact O-CB 3.42Å; E95-D99 PolarHBondContact O-N 3.49Å
96S92.2Very high89.5Confident23 Ų2349.9 Ų49.916%0.16129%0.294CS..Hα-helixtrans-58.9-38.2175.6-166.50000112.9E92 K93 F94 R100E92-S96 WeakPolarHBondContact O-CB 3.44Å; E92-S96 PolarHBondContact O-N 3.23Å; K93-S96 PolarHBondContact O-N 2.83Å; F94-S96 VanDerWaalsContact C-N 3.33Å; F94-S96 PolarHBondContact O-N 2.93Å; S96-R100 WeakPolarHBondContact O-CB 3.32Å; S96-R100 WeakPolarHBondContact O-CG 3.45Å; S96-R100 PolarHBondContact O-N 3.42Å; S96-R100 VanDerWaalsContact O-N 3.13Å
97M93.3Very high88.8Confident4 Ų452.4 Ų52.42%0.0230%0.301CS..Hα-helixtrans-68.9-46.1178.3-69.5176.47200111.3I89 K93 F94 E95 R100 L101 L119 L125 V126 V129I89-M97 HydrophobicContact CD1-SD 4.47Å; K93-M97 HydrophobicContact CG-SD 4.49Å; K93-M97 VanDerWaalsContact O-CG 3.26Å; K93-M97 WeakPolarHBondContact O-CG 3.42Å; K93-M97 PolarHBondContact O-N 3.13Å; F94-M97 WeakPolarHBondContact O-CB 3.27Å; F94-M97 PolarHBondContact O-N 2.66Å; E95-M97 VanDerWaalsContact C-N 3.28Å; E95-M97 PolarHBondContact O-N 3.05Å; M97-R100 PolarHBondContact O-N 2.99Å; M97-L101 WeakPolarHBondContact O-CG 3.46Å; M97-L101 PolarHBondContact O-N 3.38Å; M97-L119 HydrophobicContact CB-CD1 4.47Å; M97-L119 HydrophobicContact CB-CD2 3.97Å; M97-L119 HydrophobicContact CE-CD1 3.73Å; M97-L119 HydrophobicContact CG-CD2 4.01Å; M97-L125 HydrophobicContact CE-CD2 4.22Å; M97-L125 HydrophobicContact CE-CG 3.98Å; M97-L125 HydrophobicContact SD-CD2 4.05Å; M97-L125 HydrophobicContact SD-CG 4.25Å; M97-V126 HydrophobicContact CE-CG2 4.39Å; M97-V129 HydrophobicContact CB-CG1 4.11Å; M97-V129 HydrophobicContact CE-CB 3.88Å; M97-V129 HydrophobicContact CE-CG1 4.09Å; M97-V129 HydrophobicContact CE-CG2 3.79Å; M97-V129 HydrophobicContact SD-CG2 4.22Å
98I93Very high88.5Confident1 Ų156.1 Ų56.11%0.00532%0.315CS..Hα-helixtrans-64.9-44.9178.3-60.2-64.9000111.1Y72 F94 E95 R100 L101 E102 V129 W133Y72-I98 HydrophobicContact CD1-CB 3.88Å; Y72-I98 HydrophobicContact CD1-CG2 3.81Å; Y72-I98 HydrophobicContact CD2-CB 4.38Å; Y72-I98 HydrophobicContact CD2-CG2 3.51Å; Y72-I98 HydrophobicContact CE1-CB 4.04Å; Y72-I98 HydrophobicContact CE1-CG1 4.31Å; Y72-I98 HydrophobicContact CE1-CG2 3.73Å; Y72-I98 HydrophobicContact CE2-CG2 3.42Å; Y72-I98 VanDerWaalsContact CE2-CG2 3.42Å; Y72-I98 HydrophobicContact CG-CB 4.06Å; Y72-I98 HydrophobicContact CG-CG2 3.7Å; F94-I98 HydrophobicContact CD1-CG1 4.28Å; F94-I98 HydrophobicContact CD2-CG1 4.42Å; F94-I98 HydrophobicContact CE1-CG1 3.85Å; F94-I98 HydrophobicContact CE2-CD1 4.01Å; F94-I98 HydrophobicContact CE2-CG1 3.98Å; F94-I98 HydrophobicContact CZ-CD1 3.9Å; F94-I98 HydrophobicContact CZ-CG1 3.7Å; F94-I98 WeakPolarHBondContact O-CG1 3.37Å; F94-I98 PolarHBondContact O-N 3.17Å; E95-I98 PolarHBondContact O-N 2.86Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 2.9Å; I98-L101 PolarHBondContact O-N 3.28Å; I98-L101 VanDerWaalsContact O-N 3.15Å; I98-E102 PolarHBondContact O-N 3.41Å; I98-V129 HydrophobicContact CD1-CG1 3.71Å; I98-V129 HydrophobicContact CG1-CG1 4.47Å; I98-W133 HydrophobicContact CD1-CB 3.82Å; I98-W133 HydrophobicContact CD1-CG 4.36Å
99D92.1Very high88Confident7 Ų756.4 Ų56.44%0.03730%0.301CS..Hα-helixtrans-55.4-46.7176.7-179.489.8000111.4I70 E71 E95 E102 R103I70-D99 HydrophobicContact CG2-CB 4.04Å; E71-D99 PolarHBondContact N-OD1 3Å; E95-D99 VanDerWaalsContact O-CB 3.27Å; E95-D99 WeakPolarHBondContact O-CB 3.42Å; E95-D99 PolarHBondContact O-N 3.49Å; D99-E102 PolarHBondContact O-N 2.91Å; D99-R103 WeakPolarHBondContact O-CB 3.42Å; D99-R103 WeakPolarHBondContact O-CG 3.47Å; D99-R103 PolarHBondContact O-N 2.9Å; D99-R103 IonicContact OD1-CZ 3.78Å; D99-R103 IonicContact OD1-NE 3.93Å; D99-R103 IonicContact OD1-NH2 3.49Å; D99-R103 IonicContact OD2-CZ 2.99Å; D99-R103 IonicContact OD2-NE 3.89Å; D99-R103 IonicContact OD2-NH1 2.79Å
100R90.8Very high87.7Confident105 Ų10555.2 Ų55.240%0.39630%0.295SS..Hα-helixtrans-62.4-45.3176.1-74.6175.4-176-161.74.6112.2S96 M97 I98 E102 G104 L118 L119S96-R100 WeakPolarHBondContact O-CB 3.32Å; S96-R100 WeakPolarHBondContact O-CG 3.45Å; S96-R100 PolarHBondContact O-N 3.42Å; S96-R100 VanDerWaalsContact O-N 3.13Å; M97-R100 PolarHBondContact O-N 2.99Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 2.9Å; R100-E102 VanDerWaalsContact C-N 3.33Å; R100-E102 PolarHBondContact O-N 2.97Å; R100-G104 PolarHBondContact O-N 3.47Å; R100-L118 HydrophobicContact CB-CD2 4.3Å; R100-L118 HydrophobicContact CB-CG 4.46Å; R100-L118 VanDerWaalsContact O-CD2 3.23Å; R100-L118 WeakPolarHBondContact O-CD2 3.34Å; R100-L119 HydrophobicContact CB-CD2 3.96Å
101L91.9Very high87.5Confident0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-60.2-44177.7-71174.5000111.2M97 I98 G104 C105 M110 A115 L119 V129 Y130 W133M97-L101 WeakPolarHBondContact O-CG 3.46Å; M97-L101 PolarHBondContact O-N 3.38Å; I98-L101 PolarHBondContact O-N 3.28Å; I98-L101 VanDerWaalsContact O-N 3.15Å; L101-G104 PolarHBondContact O-N 3.19Å; L101-C105 WeakPolarHBondContact O-CB 3.3Å; L101-C105 PolarHBondContact O-N 2.89Å; L101-M110 HydrophobicContact CD2-SD 3.6Å; L101-M110 VanDerWaalsContact O-CE 3.31Å; L101-M110 WeakPolarHBondContact O-CE 3.42Å; L101-A115 HydrophobicContact CD2-CB 3.65Å; L101-L119 HydrophobicContact CD1-CD1 4.36Å; L101-L119 HydrophobicContact CD2-CD1 4.01Å; L101-L119 HydrophobicContact CD2-CG 4.46Å; L101-L119 HydrophobicContact CG-CD1 4.17Å; L101-V129 HydrophobicContact CD1-CG1 4.25Å; L101-Y130 HydrophobicContact CD2-CD2 4.4Å; L101-W133 HydrophobicContact CB-CD2 3.93Å; L101-W133 HydrophobicContact CB-CE3 4.44Å; L101-W133 HydrophobicContact CB-CG 4.19Å; L101-W133 HydrophobicContact CB-CZ2 4.23Å; L101-W133 HydrophobicContact CD1-CB 3.92Å; L101-W133 HydrophobicContact CD1-CD2 4.03Å; L101-W133 HydrophobicContact CD1-CE3 4.29Å; L101-W133 HydrophobicContact CD1-CG 3.86Å
102E90.9Very high87.4Confident12 Ų1254 Ų546%0.05628%0.282CS..Hα-helixtrans-69.8-43.9-177.8-161.158.4-160.600112.2I98 D99 R100 C105 W133 R137 P143 L144 L145I98-E102 PolarHBondContact O-N 3.41Å; D99-E102 PolarHBondContact O-N 2.91Å; R100-E102 VanDerWaalsContact C-N 3.33Å; R100-E102 PolarHBondContact O-N 2.97Å; E102-C105 PolarHBondContact O-N 3.46Å; E102-W133 WeakPolarHBondContact OE2-CZ2 3.37Å; E102-W133 PolarHBondContact OE2-NE1 2.88Å; E102-R137 VanDerWaalsContact CD-NE 3.34Å; E102-R137 IonicContact OE1-CZ 3.82Å; E102-R137 IonicContact OE1-NE 2.82Å; E102-R137 PolarHBondContact OE1-NE 3.35Å; E102-R137 IonicContact OE1-NH2 3.81Å; E102-R137 PolarHBondContact OE1-NH2 3.31Å; E102-R137 WeakPolarHBondContact OE2-CD 3.28Å; E102-R137 IonicContact OE2-CZ 2.75Å; E102-R137 IonicContact OE2-NE 2.94Å; E102-R137 PolarHBondContact OE2-NE 2.7Å; E102-P143 VanDerWaalsContact OE1-CA 3.26Å; E102-P143 WeakPolarHBondContact OE1-CA 3.48Å; E102-L144 HydrophobicContact CG-CB 4.45Å; E102-L144 PolarHBondContact OE1-N 3.25Å; E102-L145 HydrophobicContact CB-CD1 3.91Å; E102-L145 HydrophobicContact CB-CG 4.15Å; E102-L145 HydrophobicContact CG-CB 4.21Å; E102-L145 HydrophobicContact CG-CD1 3.92Å; E102-L145 HydrophobicContact CG-CG 3.86Å
103R87.9Confident87.3Confident75 Ų7553.3 Ų53.328%0.28328%0.279SS..Hα-helixtrans-65.8-37.7174.7-72.4-176174.4167.613.5112.7E68 P69 E71 D99 C105 L145E68-R103 VanDerWaalsContact CB-NH1 3.26Å; E68-R103 VanDerWaalsContact CD-CZ 3.44Å; E68-R103 IonicContact OE1-CZ 2.77Å; E68-R103 IonicContact OE1-NH1 2.83Å; E68-R103 IonicContact OE2-CZ 3.01Å; E68-R103 IonicContact OE2-NE 3.04Å; E68-R103 IonicContact OE2-NH1 2.64Å; E68-R103 PolarHBondContact OE2-NH1 2.93Å; P69-R103 PolarHBondContact O-NH2 3.35Å; P69-R103 VanDerWaalsContact O-NH2 3.07Å; E71-R103 IonicContact OE2-NH2 2.75Å; E71-R103 PolarHBondContact OE2-NH2 2.86Å; D99-R103 WeakPolarHBondContact O-CB 3.42Å; D99-R103 WeakPolarHBondContact O-CG 3.47Å; D99-R103 PolarHBondContact O-N 2.9Å; D99-R103 IonicContact OD1-CZ 3.78Å; D99-R103 IonicContact OD1-NE 3.93Å; D99-R103 IonicContact OD1-NH2 3.49Å; D99-R103 IonicContact OD2-CZ 2.99Å; D99-R103 IonicContact OD2-NE 3.89Å; D99-R103 IonicContact OD2-NH1 2.79Å; R103-C105 VanDerWaalsContact C-N 3.28Å; R103-C105 PolarHBondContact O-N 3.37Å; R103-L145 HydrophobicContact CG-CD1 4.04Å
104G85.2Confident87.1Confident46 Ų4653.2 Ų53.247%0.47428%0.28SS..Hα-helixtrans-70-24.5177.400000113.2R100 L101 M110R100-G104 PolarHBondContact O-N 3.47Å; L101-G104 PolarHBondContact O-N 3.19Å; G104-M110 VanDerWaalsContact CA-CE 3.44Å
105C84.4Confident86.9Confident5 Ų553.2 Ų53.23%0.03428%0.28CS..Hα-helixtrans-74.1-41.1-179.4-171.90000113L101 E102 R103 Q107 K108 W133 R137L101-C105 WeakPolarHBondContact O-CB 3.3Å; L101-C105 PolarHBondContact O-N 2.89Å; E102-C105 PolarHBondContact O-N 3.46Å; R103-C105 VanDerWaalsContact C-N 3.28Å; R103-C105 PolarHBondContact O-N 3.37Å; C105-Q107 PolarHBondContact O-N 3.47Å; C105-K108 CarbonylContact O-C 3.58Å; C105-K108 PolarHBondContact O-N 3.29Å; C105-K108 VanDerWaalsContact SG-C 3.54Å; C105-K108 PolarHBondContact SG-O 2.89Å; C105-W133 HydrophobicContact CB-CH2 4.11Å; C105-W133 HydrophobicContact CB-CZ2 4.02Å; C105-R137 PolarHBondContact SG-NH1 3.49Å; C105-R137 PolarHBondContact SG-NH2 3.37Å
106G74.4Confident86.8Confident57 Ų5755.2 Ų55.259%0.58829%0.287SS*.THydrogen-bonded Turntrans48.5-109.5-178.400000112.5
107Q69.8Low86.6Confident200 Ų20062.6 Ų62.694%0.93531%0.313SS*.THydrogen-bonded Turntrans-100.2-14.2179.1-157.470.935.200114.4C105C105-Q107 PolarHBondContact O-N 3.47Å
108K77.6Confident86.4Confident126 Ų12665.3 Ų65.355%0.54833%0.327SS..SBendtrans-116.4125.8-172.7-178.5-157.6168.7-161.40109.3C105 M110 E114C105-K108 CarbonylContact O-C 3.58Å; C105-K108 PolarHBondContact O-N 3.29Å; C105-K108 VanDerWaalsContact SG-C 3.54Å; C105-K108 PolarHBondContact SG-O 2.89Å; K108-M110 PolarHBondContact O-N 3.07Å; K108-E114 IonicContact NZ-OE1 2.68Å; K108-E114 PolarHBondContact NZ-OE1 3.46Å; K108-E114 IonicContact NZ-OE2 2.85Å
109V77.7Confident86.2Confident85 Ų8565.6 Ų65.652%0.51533%0.329SS..PPolyproline II helixtrans-52125.3173.8-176.20000109.6L134V109-L134 HydrophobicContact CG1-CD1 4.24Å
110M83.3Confident85.9Confident6 Ų672.4 Ų72.43%0.0336%0.361CS..PPolyproline II helixtrans-74.9136.5-178.8-173.3180-63.200109.4L101 G104 K108 E114 A115 L118 Y130 W133L101-M110 HydrophobicContact CD2-SD 3.6Å; L101-M110 VanDerWaalsContact O-CE 3.31Å; L101-M110 WeakPolarHBondContact O-CE 3.42Å; G104-M110 VanDerWaalsContact CA-CE 3.44Å; K108-M110 PolarHBondContact O-N 3.07Å; M110-E114 WeakPolarHBondContact CA-OE2 3.33Å; M110-E114 HydrophobicContact CG-CB 3.68Å; M110-A115 HydrophobicContact CG-CB 4.42Å; M110-A115 HydrophobicContact SD-CB 3.82Å; M110-L118 HydrophobicContact CE-CD2 3.57Å; M110-L118 HydrophobicContact SD-CD2 4.11Å; M110-Y130 PolarHBondContact O-OH 2.68Å; M110-W133 HydrophobicContact CB-CH2 4.04Å; M110-W133 HydrophobicContact CB-CZ3 4.32Å
111N88.8Confident85.9Confident81 Ų8169.9 Ų69.943%0.43336%0.355SS..PPolyproline II helixtrans-86.1161.8173.3-69.9-4.3000111.5E113 E114 A115N111-E113 VanDerWaalsContact C-N 3.26Å; N111-E113 PolarHBondContact O-N 2.87Å; N111-E114 HydrophobicContact CB-CG 4.36Å; N111-E114 PolarHBondContact N-OE2 3.18Å; N111-E114 WeakPolarHBondContact O-CB 3.42Å; N111-E114 PolarHBondContact O-N 2.98Å; N111-E114 VanDerWaalsContact O-N 3.08Å; N111-A115 PolarHBondContact O-N 2.99Å
112L89.5Confident85.8Confident42 Ų4276.4 Ų76.422%0.2239%0.385CS..Hα-helixtrans-56.9-38177.4-171.778.7000112.6A115 K116 I127 Y130L112-A115 PolarHBondContact O-N 3.44Å; L112-K116 HydrophobicContact CG-CD 4.45Å; L112-K116 WeakPolarHBondContact O-CG 3.4Å; L112-K116 PolarHBondContact O-N 3.49Å; L112-I127 HydrophobicContact CD1-CG1 4.09Å; L112-I127 HydrophobicContact CD2-CG1 4.45Å; L112-Y130 HydrophobicContact CB-CE1 4.17Å; L112-Y130 HydrophobicContact CD1-CD1 3.37Å; L112-Y130 HydrophobicContact CD1-CE1 3.78Å; L112-Y130 HydrophobicContact CD1-CG 3.86Å; L112-Y130 PolarHBondContact N-OH 2.8Å
113E89.2Confident85.8Confident127 Ų12779.7 Ų79.759%0.59341%0.407SS*.Hα-helixtrans-67.4-38177.9-65.768.1-141.900112.1N111 Y117N111-E113 VanDerWaalsContact C-N 3.26Å; N111-E113 PolarHBondContact O-N 2.87Å; E113-Y117 PolarHBondContact O-N 2.95Å; E113-Y117 VanDerWaalsContact O-N 3.1Å
114E89.5Confident85.9Confident77 Ų7780.3 Ų80.336%0.3642%0.423SS..Hα-helixtrans-67.2-41.8176.3-65.7173.4165.500109.9K108 M110 N111 Y117 L118K108-E114 IonicContact NZ-OE1 2.68Å; K108-E114 PolarHBondContact NZ-OE1 3.46Å; K108-E114 IonicContact NZ-OE2 2.85Å; M110-E114 WeakPolarHBondContact CA-OE2 3.33Å; M110-E114 HydrophobicContact CG-CB 3.68Å; N111-E114 HydrophobicContact CB-CG 4.36Å; N111-E114 PolarHBondContact N-OE2 3.18Å; N111-E114 WeakPolarHBondContact O-CB 3.42Å; N111-E114 PolarHBondContact O-N 2.98Å; N111-E114 VanDerWaalsContact O-N 3.08Å; E114-Y117 PolarHBondContact O-N 2.86Å; E114-L118 WeakPolarHBondContact O-CB 3.03Å; E114-L118 PolarHBondContact O-N 2.89Å
115A90Very high86.2Confident0 Ų078.8 Ų78.80%040%0.404CS..Hα-helixtrans-62.4-44.4175.100000112.7L101 M110 N111 L112 Y117 L118 L119 Y130L101-A115 HydrophobicContact CD2-CB 3.65Å; M110-A115 HydrophobicContact CG-CB 4.42Å; M110-A115 HydrophobicContact SD-CB 3.82Å; N111-A115 PolarHBondContact O-N 2.99Å; L112-A115 PolarHBondContact O-N 3.44Å; A115-Y117 VanDerWaalsContact C-N 3.3Å; A115-Y117 PolarHBondContact O-N 3.3Å; A115-L118 PolarHBondContact O-N 2.69Å; A115-L119 PolarHBondContact O-N 3.38Å; A115-Y130 HydrophobicContact CB-CD2 3.56Å; A115-Y130 HydrophobicContact CB-CE2 4.03Å; A115-Y130 HydrophobicContact CB-CG 4.32Å
116K91Very high86.6Confident80 Ų8078.6 Ų78.635%0.34840%0.403SS..Hα-helixtrans-58.7-41.4174.5-76.3172.1179.8171.30112.2L112 Q120 V126L112-K116 HydrophobicContact CG-CD 4.45Å; L112-K116 WeakPolarHBondContact O-CG 3.4Å; L112-K116 PolarHBondContact O-N 3.49Å; K116-Q120 PolarHBondContact O-N 3.44Å; K116-V126 HydrophobicContact CG-CG1 3.88Å
117Y88.6Confident87.5Confident179 Ų17978.8 Ų78.870%0.70239%0.39SS*.Hα-helixtrans-69.5-34.8177.1-178.2-99.1000112.8E113 E114 A115 Q120E113-Y117 PolarHBondContact O-N 2.95Å; E113-Y117 VanDerWaalsContact O-N 3.1Å; E114-Y117 PolarHBondContact O-N 2.86Å; A115-Y117 VanDerWaalsContact C-N 3.3Å; A115-Y117 PolarHBondContact O-N 3.3Å; Y117-Q120 WeakPolarHBondContact O-CG 3.3Å; Y117-Q120 PolarHBondContact O-NE2 2.8Å
118L88.6Confident88.7Confident61 Ų6170.8 Ų70.832%0.31936%0.358SS..Hα-helixtrans-74.4-44.1-177.1-171.361.8000112.9R100 M110 E114 A115R100-L118 HydrophobicContact CB-CD2 4.3Å; R100-L118 HydrophobicContact CB-CG 4.46Å; R100-L118 VanDerWaalsContact O-CD2 3.23Å; R100-L118 WeakPolarHBondContact O-CD2 3.34Å; M110-L118 HydrophobicContact CE-CD2 3.57Å; M110-L118 HydrophobicContact SD-CD2 4.11Å; E114-L118 WeakPolarHBondContact O-CB 3.03Å; E114-L118 PolarHBondContact O-N 2.89Å; A115-L118 PolarHBondContact O-N 2.69Å
119L89.1Confident89.5Confident6 Ų664.8 Ų64.83%0.03133%0.332CS..Hα-helixtrans-82.7-33.6-175.2-66.4174000112.5M97 R100 L101 A115 D121 V126M97-L119 HydrophobicContact CB-CD1 4.47Å; M97-L119 HydrophobicContact CB-CD2 3.97Å; M97-L119 HydrophobicContact CE-CD1 3.73Å; M97-L119 HydrophobicContact CG-CD2 4.01Å; R100-L119 HydrophobicContact CB-CD2 3.96Å; L101-L119 HydrophobicContact CD1-CD1 4.36Å; L101-L119 HydrophobicContact CD2-CD1 4.01Å; L101-L119 HydrophobicContact CD2-CG 4.46Å; L101-L119 HydrophobicContact CG-CD1 4.17Å; A115-L119 PolarHBondContact O-N 3.38Å; L119-D121 PolarHBondContact O-N 2.98Å; L119-D121 VanDerWaalsContact O-N 3.14Å; L119-V126 HydrophobicContact CB-CG2 3.95Å; L119-V126 HydrophobicContact CD1-CG1 4.04Å; L119-V126 HydrophobicContact CD1-CG2 4.15Å
120Q86.9Confident90.3Very high151 Ų15161.7 Ų61.771%0.70631%0.311SS*.  trans53.628.8179.3-53.6-175.9900114.3K116 Y117K116-Q120 PolarHBondContact O-N 3.44Å; Y117-Q120 WeakPolarHBondContact O-CG 3.3Å; Y117-Q120 PolarHBondContact O-NE2 2.8Å
121D89.8Confident90.8Very high52 Ų5265 Ų6528%0.27833%0.328SS..SBendtrans-106.1-177.3179.6-96.7-50.5000111.7K93 L119 V126K93-D121 WeakPolarHBondContact CE-OD2 3.43Å; K93-D121 VanDerWaalsContact NZ-CG 3.26Å; K93-D121 IonicContact NZ-OD1 3.78Å; K93-D121 PolarHBondContact NZ-OD1 2.87Å; K93-D121 IonicContact NZ-OD2 2.96Å; K93-D121 PolarHBondContact NZ-OD2 3.39Å; L119-D121 PolarHBondContact O-N 2.98Å; L119-D121 VanDerWaalsContact O-N 3.14Å; D121-V126 HydrophobicContact CB-CG2 3.99Å
122H89.5Confident91.1Very high137 Ų13762 Ų6263%0.63431%0.311SS*.  trans-53.9132.8177.5-72.1-69.8000111.9S124 L125 V126H122-S124 VanDerWaalsContact C-N 3.33Å; H122-S124 PolarHBondContact O-N 3.25Å; H122-L125 HydrophobicContact CB-CB 4.3Å; H122-L125 WeakPolarHBondContact O-CB 3.3Å; H122-L125 PolarHBondContact O-N 3.01Å; H122-V126 WeakPolarHBondContact O-CG2 3.35Å; H122-V126 PolarHBondContact O-N 3.4Å
123P90.5Very high91.3Very high80 Ų8060 Ų6052%0.51930%0.301SS..Hα-helixtrans-63.8-35.1-169.824.1-34.3000113.3I127P123-I127 WeakPolarHBondContact O-CB 3.32Å; P123-I127 VanDerWaalsContact O-CD1 3.25Å; P123-I127 WeakPolarHBondContact O-CD1 3.4Å; P123-I127 WeakPolarHBondContact O-CG1 3.21Å; P123-I127 PolarHBondContact O-N 3.42Å
124S90.3Very high91.4Very high89 Ų8956.1 Ų56.162%0.62228%0.284SS*.Hα-helixtrans-64-46176.745.50000112.1H122 I127 A128H122-S124 VanDerWaalsContact C-N 3.33Å; H122-S124 PolarHBondContact O-N 3.25Å; S124-I127 PolarHBondContact O-N 3.49Å; S124-A128 PolarHBondContact O-N 3.24Å
125L92.7Very high91.6Very high14 Ų1457 Ų577%0.07329%0.291CS..Hα-helixtrans-61.6-47.4176.9177.867.6000110.9L87 I89 M97 H122 I127 A128 V129L87-L125 HydrophobicContact CB-CD1 3.88Å; L87-L125 HydrophobicContact CD1-CD1 4.02Å; L87-L125 HydrophobicContact CD2-CD1 4.13Å; L87-L125 HydrophobicContact CG-CD1 4.23Å; I89-L125 HydrophobicContact CD1-CD1 4.09Å; I89-L125 HydrophobicContact CG1-CD1 4.38Å; I89-L125 HydrophobicContact CG2-CD1 3.86Å; I89-L125 HydrophobicContact CG2-CD2 3.68Å; I89-L125 HydrophobicContact CG2-CG 4.42Å; M97-L125 HydrophobicContact CE-CD2 4.22Å; M97-L125 HydrophobicContact CE-CG 3.98Å; M97-L125 HydrophobicContact SD-CD2 4.05Å; M97-L125 HydrophobicContact SD-CG 4.25Å; H122-L125 HydrophobicContact CB-CB 4.3Å; H122-L125 WeakPolarHBondContact O-CB 3.3Å; H122-L125 PolarHBondContact O-N 3.01Å; L125-I127 VanDerWaalsContact C-N 3.33Å; L125-I127 PolarHBondContact O-N 2.73Å; L125-A128 PolarHBondContact O-N 3.47Å; L125-V129 HydrophobicContact CD1-CG2 4.24Å; L125-V129 WeakPolarHBondContact O-CG2 3.48Å; L125-V129 PolarHBondContact O-N 3.02Å
126V92.7Very high91.7Very high1 Ų157.6 Ų57.61%0.00629%0.294CS..Hα-helixtrans-59.5-43.9178.3170.40000111.4M97 K116 L119 D121 H122 Y130M97-V126 HydrophobicContact CE-CG2 4.39Å; K116-V126 HydrophobicContact CG-CG1 3.88Å; L119-V126 HydrophobicContact CB-CG2 3.95Å; L119-V126 HydrophobicContact CD1-CG1 4.04Å; L119-V126 HydrophobicContact CD1-CG2 4.15Å; D121-V126 HydrophobicContact CB-CG2 3.99Å; H122-V126 WeakPolarHBondContact O-CG2 3.35Å; H122-V126 PolarHBondContact O-N 3.4Å; V126-Y130 WeakPolarHBondContact O-CB 3.45Å; V126-Y130 PolarHBondContact O-N 2.85Å
127I93.2Very high91.6Very high60 Ų6055.7 Ų55.731%0.30828%0.284SS..Hα-helixtrans-62.4-49.7178.4-68.7160.7000110.3L112 P123 S124 L125 V129 Y130 D131L112-I127 HydrophobicContact CD1-CG1 4.09Å; L112-I127 HydrophobicContact CD2-CG1 4.45Å; P123-I127 WeakPolarHBondContact O-CB 3.32Å; P123-I127 VanDerWaalsContact O-CD1 3.25Å; P123-I127 WeakPolarHBondContact O-CD1 3.4Å; P123-I127 WeakPolarHBondContact O-CG1 3.21Å; P123-I127 PolarHBondContact O-N 3.42Å; S124-I127 PolarHBondContact O-N 3.49Å; L125-I127 VanDerWaalsContact C-N 3.33Å; L125-I127 PolarHBondContact O-N 2.73Å; I127-V129 PolarHBondContact O-N 2.95Å; I127-Y130 PolarHBondContact O-N 3.48Å; I127-D131 WeakPolarHBondContact O-CB 3.39Å; I127-D131 VanDerWaalsContact O-CG 3.29Å; I127-D131 PolarHBondContact O-N 2.83Å
128A93.8Very high91.6Very high32 Ų3252 Ų5226%0.26428%0.28SS..Hα-helixtrans-59.4-46.3-178.500000112.6L87 S124 L125 Y132L87-A128 HydrophobicContact CD2-CB 3.98Å; S124-A128 PolarHBondContact O-N 3.24Å; L125-A128 PolarHBondContact O-N 3.47Å; A128-Y132 PolarHBondContact O-N 3.44Å
129V94.5Very high91.7Very high0 Ų055.5 Ų55.50%030%0.295CS..Hα-helixtrans-68.6-40.8178.6175.80000111.3W81 L87 F94 M97 I98 L101 L125 I127 Y132 W133W81-V129 HydrophobicContact CH2-CG2 4.4Å; L87-V129 HydrophobicContact CD1-CG2 4.16Å; F94-V129 HydrophobicContact CD2-CG1 4.41Å; F94-V129 HydrophobicContact CD2-CG2 4.26Å; F94-V129 HydrophobicContact CE2-CG1 4.21Å; F94-V129 HydrophobicContact CE2-CG2 4.42Å; M97-V129 HydrophobicContact CB-CG1 4.11Å; M97-V129 HydrophobicContact CE-CB 3.88Å; M97-V129 HydrophobicContact CE-CG1 4.09Å; M97-V129 HydrophobicContact CE-CG2 3.79Å; M97-V129 HydrophobicContact SD-CG2 4.22Å; I98-V129 HydrophobicContact CD1-CG1 3.71Å; I98-V129 HydrophobicContact CG1-CG1 4.47Å; L101-V129 HydrophobicContact CD1-CG1 4.25Å; L125-V129 HydrophobicContact CD1-CG2 4.24Å; L125-V129 WeakPolarHBondContact O-CG2 3.48Å; L125-V129 PolarHBondContact O-N 3.02Å; I127-V129 PolarHBondContact O-N 2.95Å; V129-Y132 PolarHBondContact O-N 2.99Å; V129-W133 VanDerWaalsContact O-CB 3.28Å; V129-W133 WeakPolarHBondContact O-CB 3.2Å; V129-W133 PolarHBondContact O-N 2.72Å
130Y94.2Very high91.6Very high20 Ų2057.6 Ų57.68%0.07831%0.31CS..Hα-helixtrans-63.1-43.9177.3172.1-92.2000112.1L101 M110 L112 A115 V126 I127 Y132 W133 L134L101-Y130 HydrophobicContact CD2-CD2 4.4Å; M110-Y130 PolarHBondContact O-OH 2.68Å; L112-Y130 HydrophobicContact CB-CE1 4.17Å; L112-Y130 HydrophobicContact CD1-CD1 3.37Å; L112-Y130 HydrophobicContact CD1-CE1 3.78Å; L112-Y130 HydrophobicContact CD1-CG 3.86Å; L112-Y130 PolarHBondContact N-OH 2.8Å; A115-Y130 HydrophobicContact CB-CD2 3.56Å; A115-Y130 HydrophobicContact CB-CE2 4.03Å; A115-Y130 HydrophobicContact CB-CG 4.32Å; V126-Y130 WeakPolarHBondContact O-CB 3.45Å; V126-Y130 PolarHBondContact O-N 2.85Å; I127-Y130 PolarHBondContact O-N 3.48Å; Y130-Y132 VanDerWaalsContact C-N 3.34Å; Y130-Y132 PolarHBondContact O-N 3.28Å; Y130-W133 AromaticContact CD2-CE3 3.98Å; Y130-W133 HydrophobicContact CD2-CE3 3.98Å; Y130-W133 HydrophobicContact CD2-CZ3 4.1Å; Y130-W133 HydrophobicContact CE2-CE3 4.14Å; Y130-W133 AromaticContact CE2-CZ3 3.82Å; Y130-W133 HydrophobicContact CE2-CZ3 3.82Å; Y130-W133 PolarHBondContact O-N 2.89Å; Y130-L134 HydrophobicContact CE1-CD2 3.96Å; Y130-L134 WeakPolarHBondContact O-CB 3.36Å; Y130-L134 PolarHBondContact O-N 2.9Å
131D94.3Very high91.4Very high75 Ų7561.4 Ų61.440%0.40132%0.318SS..Hα-helixtrans-63.7-42.1179.1-72.5-17000110.9I127 N135I127-D131 WeakPolarHBondContact O-CB 3.39Å; I127-D131 VanDerWaalsContact O-CG 3.29Å; I127-D131 PolarHBondContact O-N 2.83Å; D131-N135 WeakPolarHBondContact O-CB 3.38Å; D131-N135 PolarHBondContact O-N 2.9Å; D131-N135 PolarHBondContact O-ND2 2.96Å
132Y94.3Very high91.1Very high19 Ų1964.7 Ų64.78%0.07533%0.332CS..Hα-helixtrans-62.4-52.7173.9176.5-104.6000112.3D78 W81 F94 A128 V129 Y130 L134 N135 K136D78-Y132 WeakPolarHBondContact CA-OH 3.4Å; D78-Y132 PolarHBondContact N-OH 3.28Å; D78-Y132 WeakPolarHBondContact OD1-CE1 3.47Å; D78-Y132 PolarHBondContact OD1-OH 3.28Å; W81-Y132 HydrophobicContact CB-CD2 4.21Å; W81-Y132 HydrophobicContact CB-CE2 3.59Å; W81-Y132 AromaticContact CD1-CD2 3.3Å; W81-Y132 AromaticContact CD1-CE2 3.5Å; W81-Y132 VanDerWaalsContact CD1-CE2 3.5Å; W81-Y132 HydrophobicContact CD2-CD1 4.05Å; W81-Y132 AromaticContact CD2-CD2 3.48Å; W81-Y132 HydrophobicContact CD2-CD2 3.48Å; W81-Y132 VanDerWaalsContact CD2-CD2 3.48Å; W81-Y132 HydrophobicContact CD2-CE1 4.32Å; W81-Y132 AromaticContact CD2-CE2 3.77Å; W81-Y132 HydrophobicContact CD2-CE2 3.77Å; W81-Y132 AromaticContact CD2-CG 3.61Å; W81-Y132 HydrophobicContact CD2-CG 3.61Å; W81-Y132 AromaticContact CE2-CD2 3.45Å; W81-Y132 VanDerWaalsContact CE2-CD2 3.45Å; W81-Y132 AromaticContact CE2-CG 3.51Å; W81-Y132 HydrophobicContact CE3-CD1 4.02Å; W81-Y132 HydrophobicContact CE3-CD2 4.28Å; W81-Y132 HydrophobicContact CE3-CE1 4.27Å; W81-Y132 HydrophobicContact CE3-CG 4.01Å; W81-Y132 AromaticContact CG-CD2 3.4Å; W81-Y132 HydrophobicContact CG-CD2 3.4Å; W81-Y132 AromaticContact CG-CE2 3.3Å; W81-Y132 HydrophobicContact CG-CE2 3.3Å; W81-Y132 HydrophobicContact CG-CG 4.06Å; W81-Y132 AromaticContact CG-CZ 3.91Å; W81-Y132 HydrophobicContact CH2-CG 4.18Å; W81-Y132 VanDerWaalsContact CZ2-CB 3.42Å; W81-Y132 HydrophobicContact CZ2-CD2 4.2Å; W81-Y132 AromaticContact CZ2-CG 3.81Å; W81-Y132 HydrophobicContact CZ2-CG 3.81Å; W81-Y132 HydrophobicContact CZ3-CD1 4.27Å; W81-Y132 HydrophobicContact CZ3-CG 4.3Å; W81-Y132 AromaticContact NE1-CD2 3.32Å; W81-Y132 VanDerWaalsContact NE1-CD2 3.32Å; W81-Y132 AromaticContact NE1-CG 3.86Å; F94-Y132 HydrophobicContact CE2-CD1 4.33Å; F94-Y132 AromaticContact CZ-CD1 3.99Å; F94-Y132 HydrophobicContact CZ-CD1 3.99Å; F94-Y132 AromaticContact CZ-CE1 3.87Å; F94-Y132 HydrophobicContact CZ-CE1 3.87Å; A128-Y132 PolarHBondContact O-N 3.44Å; V129-Y132 PolarHBondContact O-N 2.99Å; Y130-Y132 VanDerWaalsContact C-N 3.34Å; Y130-Y132 PolarHBondContact O-N 3.28Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.31Å; Y132-N135 PolarHBondContact O-N 2.89Å; Y132-K136 HydrophobicContact CE1-CD 4.11Å; Y132-K136 WeakPolarHBondContact O-CB 3.02Å; Y132-K136 PolarHBondContact O-N 3.46Å
133W93.9Very high90.9Very high1 Ų162.1 Ų62.10%0.00433%0.327CS..Hα-helixtrans-55.6-46.7178.3168.376.5000112I98 L101 E102 C105 M110 V129 Y130 N135 K136 R137I98-W133 HydrophobicContact CD1-CB 3.82Å; I98-W133 HydrophobicContact CD1-CG 4.36Å; L101-W133 HydrophobicContact CB-CD2 3.93Å; L101-W133 HydrophobicContact CB-CE3 4.44Å; L101-W133 HydrophobicContact CB-CG 4.19Å; L101-W133 HydrophobicContact CB-CZ2 4.23Å; L101-W133 HydrophobicContact CD1-CB 3.92Å; L101-W133 HydrophobicContact CD1-CD2 4.03Å; L101-W133 HydrophobicContact CD1-CE3 4.29Å; L101-W133 HydrophobicContact CD1-CG 3.86Å; E102-W133 WeakPolarHBondContact OE2-CZ2 3.37Å; E102-W133 PolarHBondContact OE2-NE1 2.88Å; C105-W133 HydrophobicContact CB-CH2 4.11Å; C105-W133 HydrophobicContact CB-CZ2 4.02Å; M110-W133 HydrophobicContact CB-CH2 4.04Å; M110-W133 HydrophobicContact CB-CZ3 4.32Å; V129-W133 VanDerWaalsContact O-CB 3.28Å; V129-W133 WeakPolarHBondContact O-CB 3.2Å; V129-W133 PolarHBondContact O-N 2.72Å; Y130-W133 AromaticContact CD2-CE3 3.98Å; Y130-W133 HydrophobicContact CD2-CE3 3.98Å; Y130-W133 HydrophobicContact CD2-CZ3 4.1Å; Y130-W133 HydrophobicContact CE2-CE3 4.14Å; Y130-W133 AromaticContact CE2-CZ3 3.82Å; Y130-W133 HydrophobicContact CE2-CZ3 3.82Å; Y130-W133 PolarHBondContact O-N 2.89Å; W133-N135 PolarHBondContact O-N 3.49Å; W133-K136 PolarHBondContact O-N 2.96Å; W133-R137 VanDerWaalsContact CZ2-CD 3.45Å; W133-R137 VanDerWaalsContact O-CB 3.27Å; W133-R137 WeakPolarHBondContact O-CB 3.45Å; W133-R137 PolarHBondContact O-N 3.03Å
134L92.3Very high90.9Very high45 Ų4559.3 Ų59.324%0.23631%0.308CS..Hα-helixtrans-62.1-45.3-179.8-178.363.3000110.8V109 Y130 Y132 R137 V138V109-L134 HydrophobicContact CG1-CD1 4.24Å; Y130-L134 HydrophobicContact CE1-CD2 3.96Å; Y130-L134 WeakPolarHBondContact O-CB 3.36Å; Y130-L134 PolarHBondContact O-N 2.9Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.31Å; L134-R137 PolarHBondContact O-N 2.88Å; L134-V138 VanDerWaalsContact O-CG2 3.25Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 2.98Å
135N93Very high90.8Very high95 Ų9556.5 Ų56.551%0.50829%0.285SS..Hα-helixtrans-61.2-47.4176.3-75-32.8000111.6D131 Y132 W133 R137 V138 Q139D131-N135 WeakPolarHBondContact O-CB 3.38Å; D131-N135 PolarHBondContact O-N 2.9Å; D131-N135 PolarHBondContact O-ND2 2.96Å; Y132-N135 PolarHBondContact O-N 2.89Å; W133-N135 PolarHBondContact O-N 3.49Å; N135-R137 VanDerWaalsContact C-N 3.31Å; N135-R137 PolarHBondContact O-N 3.29Å; N135-V138 PolarHBondContact O-N 3.37Å; N135-Q139 VanDerWaalsContact O-CG 3.31Å; N135-Q139 WeakPolarHBondContact O-CG 3.03Å; N135-Q139 PolarHBondContact O-N 3.13Å
136K92.1Very high90.5Very high12 Ų1265.4 Ų65.45%0.05232%0.319CS..Hα-helixtrans-59.5-43178.8-165174.1-169.1178.90111.5Y72 D75 D78 Y132 W133 Q139 S140 L144Y72-K136 PolarHBondContact OH-NZ 3.31Å; D75-K136 IonicContact OD1-NZ 3.57Å; D75-K136 PolarHBondContact OD1-NZ 2.99Å; D75-K136 WeakPolarHBondContact OD2-CE 3.34Å; D75-K136 IonicContact OD2-NZ 3.52Å; D75-K136 PolarHBondContact OD2-NZ 3.11Å; D78-K136 IonicContact OD1-NZ 3.09Å; D78-K136 PolarHBondContact OD1-NZ 3.12Å; D78-K136 IonicContact OD2-NZ 2.91Å; D78-K136 PolarHBondContact OD2-NZ 3.05Å; Y132-K136 HydrophobicContact CE1-CD 4.11Å; Y132-K136 WeakPolarHBondContact O-CB 3.02Å; Y132-K136 PolarHBondContact O-N 3.46Å; W133-K136 PolarHBondContact O-N 2.96Å; K136-Q139 PolarHBondContact O-N 3.15Å; K136-S140 PolarHBondContact O-N 2.85Å; K136-S140 PolarHBondContact O-OG 3.02Å; K136-L144 HydrophobicContact CB-CD1 4.46Å; K136-L144 HydrophobicContact CD-CD1 4.33Å; K136-L144 HydrophobicContact CD-CD2 4.35Å; K136-L144 HydrophobicContact CG-CD1 4.42Å; K136-L144 HydrophobicContact CG-CD2 4.01Å
137R89.2Confident90.2Very high41 Ų4169.6 Ų69.616%0.15535%0.354CS..Hα-helixtrans-68.3-34.8179.2-166154.6-172-105.18.9114E102 C105 W133 L134 N135 S140 R141E102-R137 VanDerWaalsContact CD-NE 3.34Å; E102-R137 IonicContact OE1-CZ 3.82Å; E102-R137 IonicContact OE1-NE 2.82Å; E102-R137 PolarHBondContact OE1-NE 3.35Å; E102-R137 IonicContact OE1-NH2 3.81Å; E102-R137 PolarHBondContact OE1-NH2 3.31Å; E102-R137 WeakPolarHBondContact OE2-CD 3.28Å; E102-R137 IonicContact OE2-CZ 2.75Å; E102-R137 IonicContact OE2-NE 2.94Å; E102-R137 PolarHBondContact OE2-NE 2.7Å; C105-R137 PolarHBondContact SG-NH1 3.49Å; C105-R137 PolarHBondContact SG-NH2 3.37Å; W133-R137 VanDerWaalsContact CZ2-CD 3.45Å; W133-R137 VanDerWaalsContact O-CB 3.27Å; W133-R137 WeakPolarHBondContact O-CB 3.45Å; W133-R137 PolarHBondContact O-N 3.03Å; L134-R137 PolarHBondContact O-N 2.88Å; N135-R137 VanDerWaalsContact C-N 3.31Å; N135-R137 PolarHBondContact O-N 3.29Å; R137-S140 PolarHBondContact O-OG 3.22Å; R137-R141 PolarHBondContact O-N 3.3Å
138V89.4Confident89.9Confident101 Ų10170.6 Ų70.661%0.61236%0.363SS*.Hα-helixtrans-67.6-39173.3169.80000110.7L134 N135L134-V138 VanDerWaalsContact O-CG2 3.25Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 2.98Å; N135-V138 PolarHBondContact O-N 3.37Å
139Q90.8Very high89.5Confident135 Ų13575.9 Ų75.963%0.63138%0.376SS*.Hα-helixtrans-70.4-46.4179.1-69.6177.439.400112.5N135 K136 R141N135-Q139 VanDerWaalsContact O-CG 3.31Å; N135-Q139 WeakPolarHBondContact O-CG 3.03Å; N135-Q139 PolarHBondContact O-N 3.13Å; K136-Q139 PolarHBondContact O-N 3.15Å; Q139-R141 VanDerWaalsContact C-N 3.3Å; Q139-R141 PolarHBondContact O-N 2.93Å
140S86.1Confident89Confident50 Ų5082.7 Ų82.735%0.3541%0.408SS..Hα-helixtrans-67.4-28-178.168.60000113.3K136 R137 Q142K136-S140 PolarHBondContact O-N 2.85Å; K136-S140 PolarHBondContact O-OG 3.02Å; R137-S140 PolarHBondContact O-OG 3.22Å; S140-Q142 PolarHBondContact O-N 2.86Å; S140-Q142 PolarHBondContact OG-N 3.03Å; S140-Q142 PolarHBondContact OG-O 2.97Å
141R82.7Confident88.3Confident231 Ų23185.1 Ų85.187%0.87242%0.42SS*.  trans5513.4-172.8-55-178.1-179.8179.20.7114.2R137 Q139R137-R141 PolarHBondContact O-N 3.3Å; Q139-R141 VanDerWaalsContact C-N 3.3Å; Q139-R141 PolarHBondContact O-N 2.93Å
142Q83.1Confident87.4Confident121 Ų12190.9 Ų90.957%0.56544%0.436SS*.SBendtrans-137154.6179.8-64-170.421.100108.8S140 L144S140-Q142 PolarHBondContact O-N 2.86Å; S140-Q142 PolarHBondContact OG-N 3.03Å; S140-Q142 PolarHBondContact OG-O 2.97Å; Q142-L144 PolarHBondContact O-N 3.47Å
143P86.2Confident86.3Confident82 Ų8299.5 Ų99.553%0.53247%0.468SS..  trans-52.9138170.3-22.133.2000110.1E102 L145E102-P143 VanDerWaalsContact OE1-CA 3.26Å; E102-P143 WeakPolarHBondContact OE1-CA 3.48Å; P143-L145 VanDerWaalsContact C-N 3.28Å
144L89.6Confident85Confident22 Ų22105.8 Ų105.812%0.11550%0.502CS..SBendtrans-71.8-29-179-56.7177.2000111.4Y72 E102 K136 Q142 Y146Y72-L144 HydrophobicContact CE2-CB 3.88Å; Y72-L144 HydrophobicContact CE2-CD1 4.47Å; E102-L144 HydrophobicContact CG-CB 4.45Å; E102-L144 PolarHBondContact OE1-N 3.25Å; K136-L144 HydrophobicContact CB-CD1 4.46Å; K136-L144 HydrophobicContact CD-CD1 4.33Å; K136-L144 HydrophobicContact CD-CD2 4.35Å; K136-L144 HydrophobicContact CG-CD1 4.42Å; K136-L144 HydrophobicContact CG-CD2 4.01Å; Q142-L144 PolarHBondContact O-N 3.47Å; L144-Y146 PolarHBondContact O-N 2.89Å
145L88.6Confident83.6Confident29 Ų29106.7 Ų106.715%0.15252%0.522CS..SBendtrans-78.7114.5170.1-70.2173000110.2E71 Y72 E102 R103 P143 A147E71-L145 HydrophobicContact CB-CD2 4.12Å; E71-L145 HydrophobicContact CG-CD2 4.21Å; Y72-L145 HydrophobicContact CD2-CD2 3.99Å; Y72-L145 HydrophobicContact CG-CD2 4.49Å; E102-L145 HydrophobicContact CB-CD1 3.91Å; E102-L145 HydrophobicContact CB-CG 4.15Å; E102-L145 HydrophobicContact CG-CB 4.21Å; E102-L145 HydrophobicContact CG-CD1 3.92Å; E102-L145 HydrophobicContact CG-CG 3.86Å; R103-L145 HydrophobicContact CG-CD1 4.04Å; P143-L145 VanDerWaalsContact C-N 3.28Å; L145-A147 PolarHBondContact O-N 3.47Å
146Y86.7Confident82.4Confident202 Ų202106.1 Ų106.179%0.79253%0.526SS*.  trans-70.9126176.2-69.6-67.3000111.2L144L144-Y146 PolarHBondContact O-N 2.89Å
147A85.3Confident81Confident89 Ų89110.2 Ų110.274%0.73656%0.556SS**  trans-120.8141.817600000111.3L145 R149L145-A147 PolarHBondContact O-N 3.47Å; A147-R149 PolarHBondContact O-N 3Å
148V87.1Confident79.8Confident81 Ų81110.5 Ų110.549%0.49156%0.56SS.*PPolyproline II helixtrans-59.9127.9171.9179.10000109.5Q150 A164 F165V148-Q150 PolarHBondContact O-N 3.27Å; V148-A164 HydrophobicContact CG1-CB 3.69Å; V148-F165 HydrophobicContact CG1-CD2 3.93Å; V148-F165 HydrophobicContact CG1-CE2 3.9Å; V148-F165 HydrophobicContact CG2-CE2 4.37Å
149R85.7Confident79.5Confident142 Ų142112.1 Ų112.154%0.53657%0.571SS.*PPolyproline II helixtrans-62.7122.3-179.9-69.1-172.2178.3-179.53.1110.6A147 D160 V163 A164A147-R149 PolarHBondContact O-N 3Å; R149-D160 IonicContact NH1-OD2 3.03Å; R149-D160 PolarHBondContact NH1-OD2 3.15Å; R149-V163 HydrophobicContact CB-CG2 4.37Å; R149-V163 WeakPolarHBondContact O-CA 3.49Å; R149-A164 PolarHBondContact O-N 3.47Å
150Q83.5Confident79.2Confident143 Ų143107.5 Ų107.567%0.66855%0.55SS**PPolyproline II helixtrans-99.5154.2176.8-64.1-174.96.300111.3V148 R152V148-Q150 PolarHBondContact O-N 3.27Å; Q150-R152 PolarHBondContact O-N 3.03Å
151E80.4Confident79.3Confident72 Ų72110.7 Ų110.734%0.33657%0.57SS.*PPolyproline II helixtrans-60.8125.6174.7-177.6170.7-133.600110.5V163 R166E151-V163 HydrophobicContact CB-CG1 4.03Å; E151-R166 HydrophobicContact CB-CG 4.44Å; E151-R166 IonicContact OE1-NH1 3.32Å
152R76Confident79.6Confident196 Ų196107.9 Ų107.974%0.7456%0.56SS**PPolyproline II helixtrans-65.4145.8172.3-68.1-158.3175.5178.21.9109.7Q150 D154Q150-R152 PolarHBondContact O-N 3.03Å; R152-D154 PolarHBondContact O-N 3.2Å
153R70.4Confident79.8Confident200 Ų200102.7 Ų102.776%0.75554%0.537SS*.THydrogen-bonded Turntrans-59.7-18.1-176.7-172.8-178.2-76.8-166.1-1.9113G155R153-G155 PolarHBondContact O-N 3.49Å
154D66.5Low79.8Confident133 Ų133100.4 Ų100.471%0.71153%0.525SS*.THydrogen-bonded Turntrans-71.51.2-170.1-49.5-38.2000114.3R152 S156R152-D154 PolarHBondContact O-N 3.2Å; D154-S156 PolarHBondContact O-N 3.38Å
155G64.1Low79.6Confident64 Ų64107.6 Ų107.666%0.6656%0.556SS**  trans67.63.1166.900000115.5R153R153-G155 PolarHBondContact O-N 3.49Å
156S67.6Low79.3Confident83 Ų83109.2 Ų109.258%0.5856%0.56SS**  trans-59135.1171170.10000109.9D154 N158D154-S156 PolarHBondContact O-N 3.38Å; S156-N158 PolarHBondContact O-N 2.83Å
157S63Low78.8Confident98 Ų98109.4 Ų109.469%0.68556%0.559SS**  trans-58.498.7173.957.70000108.9T159S157-T159 PolarHBondContact O-N 3.46Å
158N63.7Low78.2Confident46 Ų46114.5 Ų114.525%0.24656%0.559CS.*  trans-74.5102.8-178.6-138.5-25.6000107.8S156 D160 V163 R166S156-N158 PolarHBondContact O-N 2.83Å; N158-D160 VanDerWaalsContact OD1-CB 3.27Å; N158-D160 WeakPolarHBondContact OD1-CB 3.38Å; N158-V163 WeakPolarHBondContact ND2-CG2 3.35Å; N158-R166 PolarHBondContact O-NH1 3.47Å; N158-R166 VanDerWaalsContact O-NH1 3.15Å; N158-R166 PolarHBondContact O-NH2 3.05Å
159T82.5Confident77.1Confident136 Ų136114.8 Ų114.883%0.83457%0.565SS**  trans-78.3-1.2169.845.60000111.8S157 P161S157-T159 PolarHBondContact O-N 3.46Å; T159-P161 WeakPolarHBondContact O-CD 3.32Å
160D84.6Confident75.8Confident37 Ų37116.6 Ų116.620%0.19858%0.58CS.*  trans-65.3118175.4-174.4-5.1000110.7R149 N158 Y162 V163R149-D160 IonicContact NH1-OD2 3.03Å; R149-D160 PolarHBondContact NH1-OD2 3.15Å; N158-D160 VanDerWaalsContact OD1-CB 3.27Å; N158-D160 WeakPolarHBondContact OD1-CB 3.38Å; D160-Y162 PolarHBondContact O-N 3.2Å; D160-Y162 WeakPolarHBondContact OD1-CB 3.41Å; D160-Y162 WeakPolarHBondContact OD1-CD2 3.31Å; D160-Y162 PolarHBondContact OD1-N 3.38Å; D160-V163 HydrophobicContact CB-CG2 3.82Å; D160-V163 PolarHBondContact O-N 3.22Å
161P88.2Confident74.7Confident117 Ų117116.8 Ų116.876%0.7658%0.578SS**THydrogen-bonded Turntrans-66.4-20.2178.228.1-35.5000113.2T159 V163T159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-V163 VanDerWaalsContact C-N 3.27Å; P161-V163 PolarHBondContact O-N 3.43Å
162Y88.6Confident73.6Confident172 Ų172121.7 Ų121.768%0.67560%0.603SS**THydrogen-bonded Turntrans-79.8-4.9-179.5-68.2-79.7000113.9D160 A164D160-Y162 PolarHBondContact O-N 3.2Å; D160-Y162 WeakPolarHBondContact OD1-CB 3.41Å; D160-Y162 WeakPolarHBondContact OD1-CD2 3.31Å; D160-Y162 PolarHBondContact OD1-N 3.38Å; Y162-A164 PolarHBondContact O-N 3.1Å
163V87.5Confident72.9Confident12 Ų12120.7 Ų120.77%0.07361%0.607CS.*  trans-86.3101-177.4176.40000110.9R149 E151 N158 D160 P161 R166R149-V163 HydrophobicContact CB-CG2 4.37Å; R149-V163 WeakPolarHBondContact O-CA 3.49Å; E151-V163 HydrophobicContact CB-CG1 4.03Å; N158-V163 WeakPolarHBondContact ND2-CG2 3.35Å; D160-V163 HydrophobicContact CB-CG2 3.82Å; D160-V163 PolarHBondContact O-N 3.22Å; P161-V163 VanDerWaalsContact C-N 3.27Å; P161-V163 PolarHBondContact O-N 3.43Å; V163-R166 HydrophobicContact CG1-CG 4.21Å
164A87.1Confident72.3Confident35 Ų35116.7 Ų116.729%0.28961%0.605SS.*  trans-100.6170.1-177.700000113V148 R149 Y162 R166V148-A164 HydrophobicContact CG1-CB 3.69Å; R149-A164 PolarHBondContact O-N 3.47Å; Y162-A164 PolarHBondContact O-N 3.1Å; A164-R166 VanDerWaalsContact C-N 3.27Å; A164-R166 PolarHBondContact O-N 2.67Å; A164-R166 VanDerWaalsContact O-N 3.11Å
165F84.9Confident72Confident173 Ų173121.5 Ų121.576%0.75961%0.613SS**SBendtrans51.537.2172.4-47.8-65.1000115.6V148 R167V148-F165 HydrophobicContact CG1-CD2 3.93Å; V148-F165 HydrophobicContact CG1-CE2 3.9Å; V148-F165 HydrophobicContact CG2-CE2 4.37Å; F165-R167 PolarHBondContact O-N 2.78Å; F165-R167 VanDerWaalsContact O-N 3.17Å
166R82.4Confident72Confident63 Ų63127.2 Ų127.224%0.23862%0.62CS.*  trans-53.8125.3178.2-59.9-172.7-165.7-1514.9110.1E151 N158 V163 A164 R168E151-R166 HydrophobicContact CB-CG 4.44Å; E151-R166 IonicContact OE1-NH1 3.32Å; N158-R166 PolarHBondContact O-NH1 3.47Å; N158-R166 VanDerWaalsContact O-NH1 3.15Å; N158-R166 PolarHBondContact O-NH2 3.05Å; V163-R166 HydrophobicContact CG1-CG 4.21Å; A164-R166 VanDerWaalsContact C-N 3.27Å; A164-R166 PolarHBondContact O-N 2.67Å; A164-R166 VanDerWaalsContact O-N 3.11Å; R166-R168 HydrophobicContact CB-CG 4.26Å; R166-R168 PolarHBondContact O-N 3.3Å
167R76.4Confident71.5Confident206 Ų206128.8 Ų128.878%0.77762%0.622SS**  trans-77.167.8177.5-72.1-177.3148.3133.6-3.5109.7F165 S169F165-R167 PolarHBondContact O-N 2.78Å; F165-R167 VanDerWaalsContact O-N 3.17Å; R167-S169 PolarHBondContact O-N 3.13Å
168R72.6Confident71.4Confident195 Ų195136.2 Ų136.274%0.73664%0.635SS**  trans-8051.3162.9-55.6-168.4-166.5101.5-8.4108.7R166 E170R166-R168 HydrophobicContact CB-CG 4.26Å; R166-R168 PolarHBondContact O-N 3.3Å; R168-E170 PolarHBondContact O-N 2.77Å
169S63.7Low71.4Confident87 Ų87142.2 Ų142.261%0.60866%0.659SS**  trans-67.8128.9165.648.30000106.8R167 K171R167-S169 PolarHBondContact O-N 3.13Å; S169-K171 PolarHBondContact O-N 2.78Å
170E58Low70.4Confident181 Ų181140.6 Ų140.685%0.84665%0.653SS**  trans-43.9117152.6-173.8174.4-168.100105.8R168 M172R168-E170 PolarHBondContact O-N 2.77Å; E170-M172 PolarHBondContact O-N 2.93Å
171K61.5Low70.1Confident146 Ų146143.3 Ų143.364%0.63567%0.667SS**  trans-51.7110.8178.9-75.3176.9179.2168.10105.4S169 Q173S169-K171 PolarHBondContact O-N 2.78Å; K171-Q173 VanDerWaalsContact C-N 3.33Å; K171-Q173 PolarHBondContact O-N 3.49Å
172M55.7Low70Confident176 Ų176143.8 Ų143.887%0.86766%0.659SS**  trans-53.8106.3-179.5-153.1169.178.700105.9E170 T174E170-M172 PolarHBondContact O-N 2.93Å; M172-T174 PolarHBondContact O-N 3.27Å
173Q61.3Low69.9Low174 Ų174141.3 Ų141.381%0.81365%0.654SS**  trans-74.3104.3-171.3-135.8167.821.800104.5K171 R175K171-Q173 VanDerWaalsContact C-N 3.33Å; K171-Q173 PolarHBondContact O-N 3.49Å; Q173-R175 PolarHBondContact O-N 2.95Å
174T59.5Low69.9Low117 Ų117143 Ų14372%0.71867%0.666SS**  trans-56.6129.9175.751.90000107.1M172 K176M172-T174 PolarHBondContact O-N 3.27Å; T174-K176 PolarHBondContact O-N 3.23Å
175R58.6Low70Confident234 Ų234147.6 Ų147.688%0.88368%0.677SS**  trans-50.6113.6178.8-85-178.9157.1-159.4-4.7108.6Q173 N177Q173-R175 PolarHBondContact O-N 2.95Å; R175-N177 PolarHBondContact O-N 2.87Å
176K65.2Low70.4Confident184 Ų184144.5 Ų144.580%0.867%0.665SS**  trans-74.569.9168.1-69-173.9179.6178.30109.1T174T174-K176 PolarHBondContact O-N 3.23Å
177N57.4Low71Confident115 Ų115148.7 Ų148.762%0.61568%0.681SS**  trans-156.5129.4156-151-33.8000111.1R175 K179R175-N177 PolarHBondContact O-N 2.87Å; N177-K179 PolarHBondContact O-N 3.24Å
178R60.1Low71.8Confident254 Ų254143.8 Ų143.896%0.95867%0.668SS**  trans-85.723.6-169.3-137172.7-179.6162-1.5112.5
179K64Low72.8Confident173 Ų173138.1 Ų138.175%0.75265%0.652SS**  trans-90.9111.1176.6-66.9-174.7-180-174.70107.6N177 D181N177-K179 PolarHBondContact O-N 3.24Å; K179-D181 PolarHBondContact O-N 2.88Å
180S62Low74.3Confident101 Ų101138.1 Ų138.171%0.70664%0.644SS**  trans-50.2126.3-176.253.50000110.7E182S180-E182 PolarHBondContact O-N 3.03Å
181D76.9Confident76.1Confident94 Ų94133.7 Ų133.750%0.50363%0.626SS.*  trans-77.261.9172.8-163.90.6000109K179 Q183 S184 Y185K179-D181 PolarHBondContact O-N 2.88Å; D181-Q183 PolarHBondContact O-N 2.91Å; D181-S184 VanDerWaalsContact CB-OG 3.3Å; D181-S184 WeakPolarHBondContact CB-OG 3.31Å; D181-S184 PolarHBondContact O-N 3.26Å; D181-S184 PolarHBondContact O-OG 2.96Å; D181-S184 VanDerWaalsContact O-OG 3.13Å; D181-S184 VanDerWaalsContact OD1-CB 3.3Å; D181-S184 WeakPolarHBondContact OD1-CB 3.41Å; D181-S184 PolarHBondContact OD1-N 3.42Å; D181-S184 VanDerWaalsContact OD1-N 3.08Å; D181-S184 PolarHBondContact OD1-OG 3.46Å; D181-S184 WeakPolarHBondContact OD2-CB 3.12Å; D181-S184 PolarHBondContact OD2-OG 3.33Å; D181-Y185 PolarHBondContact O-N 2.58Å
182E86.6Confident77.7Confident128 Ų128133.6 Ų133.660%0.59862%0.622SS**Hα-helixtrans-54.8-40.3178.8-177.6173.2-161.200110S180 S184 Y185 E186S180-E182 PolarHBondContact O-N 3.03Å; E182-S184 PolarHBondContact O-N 3.38Å; E182-Y185 WeakPolarHBondContact O-CB 3.42Å; E182-Y185 PolarHBondContact O-N 2.83Å; E182-E186 WeakPolarHBondContact O-CG 3.46Å; E182-E186 PolarHBondContact O-N 3.3Å
183Q87Confident79.6Confident119 Ų119132 Ų13256%0.55661%0.612SS**Hα-helixtrans-64.2-38.7174.8-62.2-1741.900113.4D181 R187D181-Q183 PolarHBondContact O-N 2.91Å; Q183-R187 WeakPolarHBondContact O-CB 3.46Å; Q183-R187 VanDerWaalsContact O-CG 3.24Å; Q183-R187 WeakPolarHBondContact O-CG 3.41Å; Q183-R187 PolarHBondContact O-N 3.48Å
184S87.1Confident81.3Confident48 Ų48129.4 Ų129.434%0.33660%0.6SS.*Hα-helixtrans-72.8-30.6173.677.60000112.7D181 E182 R187 M188D181-S184 VanDerWaalsContact CB-OG 3.3Å; D181-S184 WeakPolarHBondContact CB-OG 3.31Å; D181-S184 PolarHBondContact O-N 3.26Å; D181-S184 PolarHBondContact O-OG 2.96Å; D181-S184 VanDerWaalsContact O-OG 3.13Å; D181-S184 VanDerWaalsContact OD1-CB 3.3Å; D181-S184 WeakPolarHBondContact OD1-CB 3.41Å; D181-S184 PolarHBondContact OD1-N 3.42Å; D181-S184 VanDerWaalsContact OD1-N 3.08Å; D181-S184 PolarHBondContact OD1-OG 3.46Å; D181-S184 WeakPolarHBondContact OD2-CB 3.12Å; D181-S184 PolarHBondContact OD2-OG 3.33Å; E182-S184 PolarHBondContact O-N 3.38Å; S184-R187 PolarHBondContact O-N 2.87Å; S184-M188 WeakPolarHBondContact O-CB 3.33Å; S184-M188 PolarHBondContact O-N 2.84Å
185Y90.1Very high83Confident132 Ų132129 Ų12952%0.51859%0.591SS.*Hα-helixtrans-65.1-44.8172.5-174.1-107.2000111.8D181 E182 R187 M188 L189D181-Y185 PolarHBondContact O-N 2.58Å; E182-Y185 WeakPolarHBondContact O-CB 3.42Å; E182-Y185 PolarHBondContact O-N 2.83Å; Y185-R187 PolarHBondContact O-N 3.37Å; Y185-M188 HydrophobicContact CD2-CE 3.63Å; Y185-M188 HydrophobicContact CD2-SD 4.42Å; Y185-M188 HydrophobicContact CE2-CE 4.05Å; Y185-M188 HydrophobicContact CE2-SD 4.41Å; Y185-M188 WeakPolarHBondContact O-CB 3.48Å; Y185-M188 PolarHBondContact O-N 3.15Å; Y185-M188 VanDerWaalsContact O-N 3.17Å; Y185-L189 HydrophobicContact CD1-CD1 4.18Å; Y185-L189 HydrophobicContact CE1-CD1 3.74Å; Y185-L189 HydrophobicContact CE1-CG 4.22Å; Y185-L189 WeakPolarHBondContact O-CG 3.46Å; Y185-L189 PolarHBondContact O-N 2.95Å
186E92.8Very high84.6Confident108 Ų108122.3 Ų122.351%0.50557%0.573SS.*Hα-helixtrans-59.5-45.7172.2-73.3-179.8164.900111.8E182 M188 L189 I190E182-E186 WeakPolarHBondContact O-CG 3.46Å; E182-E186 PolarHBondContact O-N 3.3Å; E186-M188 VanDerWaalsContact C-N 3.28Å; E186-M188 PolarHBondContact O-N 2.75Å; E186-L189 PolarHBondContact O-N 2.88Å; E186-L189 VanDerWaalsContact O-N 3.16Å; E186-I190 WeakPolarHBondContact O-CG1 3.34Å; E186-I190 PolarHBondContact O-N 3.36Å
187R93.8Very high86.1Confident150 Ų150116.3 Ų116.357%0.56655%0.554SS**Hα-helixtrans-60.7-36174.9-71.7176.9-168.4109.52.4112.3Q183 S184 Y185 L191Q183-R187 WeakPolarHBondContact O-CB 3.46Å; Q183-R187 VanDerWaalsContact O-CG 3.24Å; Q183-R187 WeakPolarHBondContact O-CG 3.41Å; Q183-R187 PolarHBondContact O-N 3.48Å; S184-R187 PolarHBondContact O-N 2.87Å; Y185-R187 PolarHBondContact O-N 3.37Å; R187-L191 WeakPolarHBondContact O-CB 3.48Å; R187-L191 PolarHBondContact O-N 2.97Å
188M93.9Very high87.9Confident104 Ų104115.5 Ų115.551%0.51255%0.549SS..Hα-helixtrans-66.7-39.8175.1-174.7-138.5-57.700111.8S184 Y185 E186 L191 R192S184-M188 WeakPolarHBondContact O-CB 3.33Å; S184-M188 PolarHBondContact O-N 2.84Å; Y185-M188 HydrophobicContact CD2-CE 3.63Å; Y185-M188 HydrophobicContact CD2-SD 4.42Å; Y185-M188 HydrophobicContact CE2-CE 4.05Å; Y185-M188 HydrophobicContact CE2-SD 4.41Å; Y185-M188 WeakPolarHBondContact O-CB 3.48Å; Y185-M188 PolarHBondContact O-N 3.15Å; Y185-M188 VanDerWaalsContact O-N 3.17Å; E186-M188 VanDerWaalsContact C-N 3.28Å; E186-M188 PolarHBondContact O-N 2.75Å; M188-L191 PolarHBondContact O-N 3.39Å; M188-R192 WeakPolarHBondContact O-CB 3.21Å; M188-R192 PolarHBondContact O-N 3.2Å
189L94.6Very high89.4Confident76 Ų76105.2 Ų105.240%0.39852%0.522SS..Hα-helixtrans-64.9-43.8175.6-68.6177.7000111.5Y185 E186 R192 E193Y185-L189 HydrophobicContact CD1-CD1 4.18Å; Y185-L189 HydrophobicContact CE1-CD1 3.74Å; Y185-L189 HydrophobicContact CE1-CG 4.22Å; Y185-L189 WeakPolarHBondContact O-CG 3.46Å; Y185-L189 PolarHBondContact O-N 2.95Å; E186-L189 PolarHBondContact O-N 2.88Å; E186-L189 VanDerWaalsContact O-N 3.16Å; L189-R192 WeakPolarHBondContact O-CB 3.44Å; L189-R192 PolarHBondContact O-N 3.33Å; L189-E193 PolarHBondContact O-N 3.26Å
190I94.6Very high90.8Very high87 Ų87102.7 Ų102.745%0.44651%0.513SS..Hα-helixtrans-60.1-46.2173.8-65.2166.4000110.4E186 R192 E193 Q194E186-I190 WeakPolarHBondContact O-CG1 3.34Å; E186-I190 PolarHBondContact O-N 3.36Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 2.83Å; I190-E193 PolarHBondContact O-N 3.32Å; I190-Q194 HydrophobicContact CG2-CG 4.37Å; I190-Q194 WeakPolarHBondContact O-CB 3.36Å; I190-Q194 VanDerWaalsContact O-CG 3.28Å; I190-Q194 WeakPolarHBondContact O-CG 3.1Å; I190-Q194 PolarHBondContact O-N 3.12Å
191L95.3Very high92.4Very high88 Ų88102.3 Ų102.346%0.46150%0.502SS..Hα-helixtrans-59.8-42.4177.3179.763.6000111.4R187 M188 Q194 M195R187-L191 WeakPolarHBondContact O-CB 3.48Å; R187-L191 PolarHBondContact O-N 2.97Å; M188-L191 PolarHBondContact O-N 3.39Å; L191-Q194 PolarHBondContact O-N 2.87Å; L191-M195 HydrophobicContact CD1-CE 3.72Å; L191-M195 HydrophobicContact CD1-CG 4.37Å; L191-M195 WeakPolarHBondContact O-CB 3.37Å; L191-M195 VanDerWaalsContact O-CG 3.22Å; L191-M195 WeakPolarHBondContact O-CG 3.23Å; L191-M195 PolarHBondContact O-N 3.39Å
192R95.2Very high93.2Very high144 Ų144100.3 Ų100.354%0.54349%0.491SS..Hα-helixtrans-61.9-47176.8-176.3-179-178.1-151.82.9111.7M188 L189 I190 Q194 M195 D196M188-R192 WeakPolarHBondContact O-CB 3.21Å; M188-R192 PolarHBondContact O-N 3.2Å; L189-R192 WeakPolarHBondContact O-CB 3.44Å; L189-R192 PolarHBondContact O-N 3.33Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 2.83Å; R192-Q194 VanDerWaalsContact C-N 3.33Å; R192-Q194 PolarHBondContact O-N 3.35Å; R192-M195 PolarHBondContact O-N 3.32Å; R192-D196 PolarHBondContact O-N 3.29Å
193E95.5Very high93.4Very high143 Ų14395.3 Ų95.367%0.66847%0.474SS*.Hα-helixtrans-60.9-42.1176.9-176.5179.1-17100111.6L189 I190 M195 D196 S197L189-E193 PolarHBondContact O-N 3.26Å; I190-E193 PolarHBondContact O-N 3.32Å; E193-M195 VanDerWaalsContact C-N 3.34Å; E193-M195 PolarHBondContact O-N 3.44Å; E193-D196 PolarHBondContact O-N 3.34Å; E193-S197 WeakPolarHBondContact O-CB 3.47Å; E193-S197 PolarHBondContact O-N 3.2Å
194Q97Very high93.7Very high118 Ų11898.2 Ų98.255%0.55148%0.48SS*.Hα-helixtrans-63-38.8174.8-72.1176.2-4.300112.2I190 L191 R192 L198I190-Q194 HydrophobicContact CG2-CG 4.37Å; I190-Q194 WeakPolarHBondContact O-CB 3.36Å; I190-Q194 VanDerWaalsContact O-CG 3.28Å; I190-Q194 WeakPolarHBondContact O-CG 3.1Å; I190-Q194 PolarHBondContact O-N 3.12Å; L191-Q194 PolarHBondContact O-N 2.87Å; R192-Q194 VanDerWaalsContact C-N 3.33Å; R192-Q194 PolarHBondContact O-N 3.35Å; Q194-L198 WeakPolarHBondContact O-CB 3.38Å; Q194-L198 PolarHBondContact O-N 2.92Å
195M94.8Very high94.1Very high108 Ų10899 Ų9953%0.53248%0.48SS..Hα-helixtrans-70.2-38.8175.9-70.2-64.9166.700112.3L191 R192 E193 L198 G199L191-M195 HydrophobicContact CD1-CE 3.72Å; L191-M195 HydrophobicContact CD1-CG 4.37Å; L191-M195 WeakPolarHBondContact O-CB 3.37Å; L191-M195 VanDerWaalsContact O-CG 3.22Å; L191-M195 WeakPolarHBondContact O-CG 3.23Å; L191-M195 PolarHBondContact O-N 3.39Å; R192-M195 PolarHBondContact O-N 3.32Å; E193-M195 VanDerWaalsContact C-N 3.34Å; E193-M195 PolarHBondContact O-N 3.44Å; M195-L198 PolarHBondContact O-N 3.23Å; M195-L198 HydrophobicContact SD-CD2 4.18Å; M195-G199 PolarHBondContact O-N 3.46Å
196D94Very high94.2Very high94 Ų9492.9 Ų92.950%0.50346%0.456SS..Hα-helixtrans-63.2-45.2173.6-74.5-24000110.4R192 E193 L198 G199 E200R192-D196 PolarHBondContact O-N 3.29Å; E193-D196 PolarHBondContact O-N 3.34Å; D196-L198 PolarHBondContact O-N 3.01Å; D196-G199 PolarHBondContact O-N 2.94Å; D196-E200 PolarHBondContact O-N 2.78Å
197S95.3Very high94.2Very high59 Ų5995 Ų9541%0.41346%0.464SS..Hα-helixtrans-61.6-42.4174.5-1730000112.5E193 G199 E200 I201E193-S197 WeakPolarHBondContact O-CB 3.47Å; E193-S197 PolarHBondContact O-N 3.2Å; S197-G199 VanDerWaalsContact C-N 3.32Å; S197-G199 PolarHBondContact O-N 3.18Å; S197-E200 PolarHBondContact O-N 2.99Å; S197-I201 WeakPolarHBondContact O-CG1 3.01Å; S197-I201 PolarHBondContact O-N 2.88Å
198L95.5Very high94.4Very high97 Ų9794.1 Ų94.151%0.50846%0.461SS..Hα-helixtrans-60.8-42.2173.6178.962.9000111.3Q194 M195 D196 E200 I201 L202Q194-L198 WeakPolarHBondContact O-CB 3.38Å; Q194-L198 PolarHBondContact O-N 2.92Å; M195-L198 PolarHBondContact O-N 3.23Å; M195-L198 HydrophobicContact SD-CD2 4.18Å; D196-L198 PolarHBondContact O-N 3.01Å; L198-E200 PolarHBondContact O-N 3.32Å; L198-I201 PolarHBondContact O-N 3.38Å; L198-L202 WeakPolarHBondContact O-CB 3.33Å; L198-L202 PolarHBondContact O-N 2.88Å
199G92.1Very high94.4Very high38 Ų3891.7 Ų91.739%0.39245%0.448SS..Hα-helixtrans-59.8-42.2175.300000112.7M195 D196 S197 L202 G203M195-G199 PolarHBondContact O-N 3.46Å; D196-G199 PolarHBondContact O-N 2.94Å; S197-G199 VanDerWaalsContact C-N 3.32Å; S197-G199 PolarHBondContact O-N 3.18Å; G199-L202 PolarHBondContact O-N 3.16Å; G199-G203 PolarHBondContact O-N 3.45Å
200E93.3Very high94.3Very high121 Ų12189.6 Ų89.657%0.56544%0.442SS*.Hα-helixtrans-63.4-45.2174.7-70.1-173-174.800112.7D196 S197 L198 L202 G203 R204D196-E200 PolarHBondContact O-N 2.78Å; S197-E200 PolarHBondContact O-N 2.99Å; L198-E200 PolarHBondContact O-N 3.32Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-G203 PolarHBondContact O-N 2.69Å; E200-R204 WeakPolarHBondContact O-CG 3.38Å; E200-R204 PolarHBondContact O-N 2.91Å
201I95.1Very high94.3Very high93 Ų9388.8 Ų88.848%0.47744%0.441SS..Hα-helixtrans-61.8-45.9178.3-67167.5000109.9S197 L198 R204 L205S197-I201 WeakPolarHBondContact O-CG1 3.01Å; S197-I201 PolarHBondContact O-N 2.88Å; L198-I201 PolarHBondContact O-N 3.38Å; I201-R204 PolarHBondContact O-N 2.75Å; I201-L205 HydrophobicContact CG2-CD1 4.28Å; I201-L205 WeakPolarHBondContact O-CG 3.27Å; I201-L205 PolarHBondContact O-N 3.4Å
202L94Very high94.3Very high52 Ų5289.2 Ų89.227%0.27244%0.439SS..Hα-helixtrans-65.1-40.8179.1-166.563.5000111.6L198 G199 E200 R204 L205 V206 L418 I422L198-L202 WeakPolarHBondContact O-CB 3.33Å; L198-L202 PolarHBondContact O-N 2.88Å; G199-L202 PolarHBondContact O-N 3.16Å; E200-L202 VanDerWaalsContact C-N 3.34Å; L202-R204 VanDerWaalsContact C-N 3.34Å; L202-R204 PolarHBondContact O-N 3.07Å; L202-L205 WeakPolarHBondContact O-CB 3.47Å; L202-L205 PolarHBondContact O-N 2.96Å; L202-L205 VanDerWaalsContact O-N 3.13Å; L202-V206 PolarHBondContact O-N 3.46Å; L202-L418 HydrophobicContact CD1-CD1 3.75Å; L202-L418 HydrophobicContact CD1-CD2 4Å; L202-L418 HydrophobicContact CD2-CD2 3.91Å; L202-L418 HydrophobicContact CG-CD1 4.49Å; L202-L418 HydrophobicContact CG-CD2 4.22Å; L202-I422 HydrophobicContact CB-CD1 4.19Å; L202-I422 HydrophobicContact CD2-CD1 4.05Å; L202-I422 HydrophobicContact CD2-CG1 4.45Å; L202-I422 HydrophobicContact CG-CD1 3.64Å
203G90.6Very high94.2Very high23 Ų2386.2 Ų86.224%0.23743%0.431CS..Hα-helixtrans-61.4-39.9174.500000112.7G199 E200 K207G199-G203 PolarHBondContact O-N 3.45Å; E200-G203 PolarHBondContact O-N 2.69Å; G203-K207 WeakPolarHBondContact O-CB 3.31Å; G203-K207 PolarHBondContact O-N 3.44Å
204R93.6Very high94.2Very high180 Ų18082.1 Ų82.168%0.67942%0.422SS*.Hα-helixtrans-65.8-38.5172.5-69177.1-168.4-1607112.2E200 I201 L202 K207 R208E200-R204 WeakPolarHBondContact O-CG 3.38Å; E200-R204 PolarHBondContact O-N 2.91Å; I201-R204 PolarHBondContact O-N 2.75Å; L202-R204 VanDerWaalsContact C-N 3.34Å; L202-R204 PolarHBondContact O-N 3.07Å; R204-K207 PolarHBondContact O-N 2.71Å; R204-R208 WeakPolarHBondContact O-CB 3.39Å; R204-R208 PolarHBondContact O-N 3.29Å
205L94.8Very high94.1Very high65 Ų6580.9 Ų80.934%0.3442%0.418SS..Hα-helixtrans-63.2-47.1175.6-76.3170.2000111.6I201 L202 K207 R208 E209I201-L205 HydrophobicContact CG2-CD1 4.28Å; I201-L205 WeakPolarHBondContact O-CG 3.27Å; I201-L205 PolarHBondContact O-N 3.4Å; L202-L205 WeakPolarHBondContact O-CB 3.47Å; L202-L205 PolarHBondContact O-N 2.96Å; L202-L205 VanDerWaalsContact O-N 3.13Å; L205-K207 PolarHBondContact O-N 3.34Å; L205-R208 WeakPolarHBondContact O-CB 3.4Å; L205-R208 PolarHBondContact O-N 3.25Å; L205-R208 VanDerWaalsContact O-N 3.15Å; L205-E209 PolarHBondContact O-N 2.96Å
206V92.1Very high94.1Very high2 Ų280 Ų801%0.01242%0.419CS..Hα-helixtrans-60.9-45176.3169.90000111.4L202 R208 E209 A210 L415 L418 K419 I422 F423L202-V206 PolarHBondContact O-N 3.46Å; V206-R208 VanDerWaalsContact C-N 3.28Å; V206-R208 PolarHBondContact O-N 2.93Å; V206-E209 PolarHBondContact O-N 3.34Å; V206-A210 WeakPolarHBondContact O-CB 3.41Å; V206-A210 PolarHBondContact O-N 3.43Å; V206-L415 HydrophobicContact CG1-CD1 4.24Å; V206-L418 HydrophobicContact CG2-CB 3.51Å; V206-L418 HydrophobicContact CG2-CD1 4.02Å; V206-L418 HydrophobicContact CG2-CG 4.42Å; V206-K419 HydrophobicContact CG1-CG 4.06Å; V206-I422 HydrophobicContact CB-CD1 3.94Å; V206-I422 HydrophobicContact CG2-CD1 3.29Å; V206-I422 HydrophobicContact CG2-CG1 4.5Å; V206-F423 HydrophobicContact CG1-CE2 4.1Å; V206-F423 HydrophobicContact CG1-CZ 4.39Å
207K94.3Very high94.1Very high154 Ų15478.7 Ų78.767%0.6741%0.412SS*.Hα-helixtrans-58.2-41.7175.1-174.8175.8-1791770111.8G203 R204 L205 T211G203-K207 WeakPolarHBondContact O-CB 3.31Å; G203-K207 PolarHBondContact O-N 3.44Å; R204-K207 PolarHBondContact O-N 2.71Å; L205-K207 PolarHBondContact O-N 3.34Å; K207-T211 WeakPolarHBondContact O-CB 3.32Å; K207-T211 PolarHBondContact O-N 3.26Å; K207-T211 PolarHBondContact O-OG1 2.86Å
208R96.6Very high94Very high130 Ų13079.1 Ų79.149%0.49141%0.414SS..Hα-helixtrans-61.2-50.6177.3-175.5-173.474.6178.70111.3R204 L205 V206 T211 K212R204-R208 WeakPolarHBondContact O-CB 3.39Å; R204-R208 PolarHBondContact O-N 3.29Å; L205-R208 WeakPolarHBondContact O-CB 3.4Å; L205-R208 PolarHBondContact O-N 3.25Å; L205-R208 VanDerWaalsContact O-N 3.15Å; V206-R208 VanDerWaalsContact C-N 3.28Å; V206-R208 PolarHBondContact O-N 2.93Å; R208-T211 PolarHBondContact O-N 3.47Å; R208-K212 WeakPolarHBondContact O-CG 3.26Å; R208-K212 PolarHBondContact O-N 2.89Å
209E94.4Very high94Very high53 Ų5379.2 Ų79.225%0.24842%0.415CS..Hα-helixtrans-68.2-39.9-178.4-60.9-41.6135.200112.2L205 V206 T211 K212 E213 L415L205-E209 PolarHBondContact O-N 2.96Å; V206-E209 PolarHBondContact O-N 3.34Å; E209-T211 VanDerWaalsContact C-N 3.29Å; E209-T211 PolarHBondContact O-N 3.04Å; E209-K212 PolarHBondContact O-N 3.26Å; E209-K212 IonicContact OE1-NZ 3.28Å; E209-K212 PolarHBondContact OE1-NZ 2.89Å; E209-K212 WeakPolarHBondContact OE2-CD 3.45Å; E209-K212 IonicContact OE2-NZ 3.33Å; E209-K212 PolarHBondContact OE2-NZ 2.87Å; E209-E213 WeakPolarHBondContact O-CB 3.09Å; E209-E213 PolarHBondContact O-N 2.9Å; E209-L415 HydrophobicContact CB-CD1 3.66Å; E209-L415 HydrophobicContact CB-CD2 4.02Å; E209-L415 HydrophobicContact CB-CG 4.42Å
210A92.5Very high94.1Very high32 Ų3281.7 Ų81.726%0.26441%0.413SS..Hα-helixtrans-61.8-35.9173.300000112.5V206 A214V206-A210 WeakPolarHBondContact O-CB 3.41Å; V206-A210 PolarHBondContact O-N 3.43Å; A210-A214 WeakPolarHBondContact O-CB 3.43Å; A210-A214 PolarHBondContact O-N 2.76Å
211T94.1Very high94.1Very high70 Ų7081.9 Ų81.943%0.42941%0.409SS..Hα-helixtrans-69.6-40.9175.6-53.90000111.4K207 R208 E209 A214 I215K207-T211 WeakPolarHBondContact O-CB 3.32Å; K207-T211 PolarHBondContact O-N 3.26Å; K207-T211 PolarHBondContact O-OG1 2.86Å; R208-T211 PolarHBondContact O-N 3.47Å; E209-T211 VanDerWaalsContact C-N 3.29Å; E209-T211 PolarHBondContact O-N 3.04Å; T211-A214 PolarHBondContact O-N 3.07Å; T211-I215 HydrophobicContact CG2-CD1 4.19Å; T211-I215 VanDerWaalsContact O-CG1 3.3Å; T211-I215 WeakPolarHBondContact O-CG1 3.48Å; T211-I215 PolarHBondContact O-N 3.31Å
212K96.1Very high93.9Very high97 Ų9779.7 Ų79.742%0.42240%0.401SS..Hα-helixtrans-62.8-43.2174.4-70.4-178.6-163.9156.30111.7R208 E209 A214 I215 V216R208-K212 WeakPolarHBondContact O-CG 3.26Å; R208-K212 PolarHBondContact O-N 2.89Å; E209-K212 PolarHBondContact O-N 3.26Å; E209-K212 IonicContact OE1-NZ 3.28Å; E209-K212 PolarHBondContact OE1-NZ 2.89Å; E209-K212 WeakPolarHBondContact OE2-CD 3.45Å; E209-K212 IonicContact OE2-NZ 3.33Å; E209-K212 PolarHBondContact OE2-NZ 2.87Å; K212-A214 VanDerWaalsContact C-N 3.32Å; K212-A214 PolarHBondContact O-N 3.04Å; K212-I215 PolarHBondContact O-N 3.08Å; K212-V216 WeakPolarHBondContact O-CG2 3.43Å; K212-V216 PolarHBondContact O-N 3.38Å
213E93.7Very high93.8Very high81 Ų8182.2 Ų82.238%0.37941%0.41SS..Hα-helixtrans-57-46.3173.7-178.4-175.1-173.300110.8E209 I215 V216 N217 K419E209-E213 WeakPolarHBondContact O-CB 3.09Å; E209-E213 PolarHBondContact O-N 2.9Å; E213-I215 PolarHBondContact O-N 2.93Å; E213-V216 PolarHBondContact O-N 3.41Å; E213-N217 WeakPolarHBondContact O-CB 3.12Å; E213-N217 PolarHBondContact O-N 3.38Å; E213-K419 IonicContact OE1-NZ 2.68Å; E213-K419 IonicContact OE2-NZ 3.8Å; E213-K419 PolarHBondContact OE2-NZ 3.06Å
214A94.2Very high94Very high58 Ų5884.5 Ų84.548%0.47942%0.415SS..Hα-helixtrans-62.5-40.3176.700000113.1A210 T211 K212 C218A210-A214 WeakPolarHBondContact O-CB 3.43Å; A210-A214 PolarHBondContact O-N 2.76Å; T211-A214 PolarHBondContact O-N 3.07Å; K212-A214 VanDerWaalsContact C-N 3.32Å; K212-A214 PolarHBondContact O-N 3.04Å; A214-C218 VanDerWaalsContact O-CB 3.3Å; A214-C218 WeakPolarHBondContact O-CB 3.44Å; A214-C218 PolarHBondContact O-N 3.48Å
215I94.4Very high94Very high92 Ų9280.7 Ų80.747%0.47241%0.407SS..Hα-helixtrans-61.3-51.2174.8-69.1163.8000110T211 K212 E213 N217 C218 D219T211-I215 HydrophobicContact CG2-CD1 4.19Å; T211-I215 VanDerWaalsContact O-CG1 3.3Å; T211-I215 WeakPolarHBondContact O-CG1 3.48Å; T211-I215 PolarHBondContact O-N 3.31Å; K212-I215 PolarHBondContact O-N 3.08Å; E213-I215 PolarHBondContact O-N 2.93Å; I215-N217 VanDerWaalsContact C-N 3.34Å; I215-N217 PolarHBondContact O-N 3.01Å; I215-C218 WeakPolarHBondContact O-CB 3.4Å; I215-C218 PolarHBondContact O-N 3.26Å; I215-C218 VanDerWaalsContact O-N 3.12Å; I215-D219 VanDerWaalsContact O-CG 3.31Å; I215-D219 PolarHBondContact O-N 3.18Å
216V95.3Very high93.9Very high90 Ų9081.4 Ų81.455%0.54541%0.405SS..Hα-helixtrans-62.2-40.9-179.6173.50000111.6K212 E213 C218 D219 Y220K212-V216 WeakPolarHBondContact O-CG2 3.43Å; K212-V216 PolarHBondContact O-N 3.38Å; E213-V216 PolarHBondContact O-N 3.41Å; V216-C218 VanDerWaalsContact C-N 3.34Å; V216-D219 PolarHBondContact O-N 2.79Å; V216-Y220 WeakPolarHBondContact O-CB 3.25Å; V216-Y220 PolarHBondContact O-N 3.28Å
217N95.2Very high93.9Very high65 Ų6583.5 Ų83.535%0.34842%0.419SS..Hα-helixtrans-66.2-36.8175.8-172.328.6000111.8E213 I215 R221E213-N217 WeakPolarHBondContact O-CB 3.12Å; E213-N217 PolarHBondContact O-N 3.38Å; I215-N217 VanDerWaalsContact C-N 3.34Å; I215-N217 PolarHBondContact O-N 3.01Å; N217-R221 WeakPolarHBondContact O-CB 3.48Å; N217-R221 VanDerWaalsContact O-CG 3.28Å; N217-R221 WeakPolarHBondContact O-CG 3.48Å; N217-R221 PolarHBondContact O-N 3.45Å
218C93Very high93.9Very high68 Ų6884.1 Ų84.146%0.45942%0.422SS..Hα-helixtrans-63.5-49.3172.4-168.20000111A214 I215 V216 Y220 R221 C222A214-C218 VanDerWaalsContact O-CB 3.3Å; A214-C218 WeakPolarHBondContact O-CB 3.44Å; A214-C218 PolarHBondContact O-N 3.48Å; I215-C218 WeakPolarHBondContact O-CB 3.4Å; I215-C218 PolarHBondContact O-N 3.26Å; I215-C218 VanDerWaalsContact O-N 3.12Å; V216-C218 VanDerWaalsContact C-N 3.34Å; C218-Y220 VanDerWaalsContact C-N 3.29Å; C218-Y220 PolarHBondContact O-N 3.38Å; C218-R221 PolarHBondContact O-N 3.25Å; C218-R221 VanDerWaalsContact O-N 3.15Å; C218-C222 WeakPolarHBondContact O-CB 3.48Å; C218-C222 PolarHBondContact O-N 2.91Å; C218-C222 PolarHBondContact O-SG 2.85Å
219D94.1Very high93.8Very high100 Ų10083.6 Ų83.654%0.53543%0.428SS..Hα-helixtrans-58.1-42.8177.5-67.9-18.2000111.1I215 V216 C222 F223I215-D219 VanDerWaalsContact O-CG 3.31Å; I215-D219 PolarHBondContact O-N 3.18Å; V216-D219 PolarHBondContact O-N 2.79Å; D219-C222 PolarHBondContact O-N 3.02Å; D219-F223 WeakPolarHBondContact O-CB 3.21Å; D219-F223 PolarHBondContact O-N 3.39Å
220Y93.9Very high93.6Very high89 Ų8984.8 Ų84.835%0.34944%0.442SS..Hα-helixtrans-61.8-45.8175.5178.9-108.5000112.3V216 C218 F223 Q224V216-Y220 WeakPolarHBondContact O-CB 3.25Å; V216-Y220 PolarHBondContact O-N 3.28Å; C218-Y220 VanDerWaalsContact C-N 3.29Å; C218-Y220 PolarHBondContact O-N 3.38Å; Y220-F223 WeakPolarHBondContact O-CB 3.43Å; Y220-F223 PolarHBondContact O-N 3.27Å; Y220-Q224 HydrophobicContact CD1-CG 4.37Å; Y220-Q224 HydrophobicContact CE1-CG 3.99Å; Y220-Q224 HydrophobicContact CE2-CG 4.24Å; Y220-Q224 WeakPolarHBondContact O-CG 3.47Å; Y220-Q224 PolarHBondContact O-N 3.27Å; Y220-Q224 PolarHBondContact OH-NE2 3.1Å
221R94Very high93.5Very high125 Ų12583.9 Ų83.947%0.47243%0.433SS..Hα-helixtrans-63.9-43175.9-73.6174.3-177.4-175.2-1.7111.9N217 C218 F223 Q224 L225N217-R221 WeakPolarHBondContact O-CB 3.48Å; N217-R221 VanDerWaalsContact O-CG 3.28Å; N217-R221 WeakPolarHBondContact O-CG 3.48Å; N217-R221 PolarHBondContact O-N 3.45Å; C218-R221 PolarHBondContact O-N 3.25Å; C218-R221 VanDerWaalsContact O-N 3.15Å; R221-F223 VanDerWaalsContact C-N 3.3Å; R221-F223 PolarHBondContact O-N 3.41Å; R221-Q224 PolarHBondContact O-N 3.14Å; R221-L225 WeakPolarHBondContact O-CB 3.4Å; R221-L225 WeakPolarHBondContact O-CG 3.48Å; R221-L225 PolarHBondContact O-N 3.26Å
222C91.4Very high93.2Very high48 Ų4889.4 Ų89.432%0.32445%0.446SS..Hα-helixtrans-58.3-44.5174.2-72.60000110.8C218 D219 L225 R226C218-C222 WeakPolarHBondContact O-CB 3.48Å; C218-C222 PolarHBondContact O-N 2.91Å; C218-C222 PolarHBondContact O-SG 2.85Å; D219-C222 PolarHBondContact O-N 3.02Å; C222-L225 PolarHBondContact O-N 3.27Å; C222-R226 WeakPolarHBondContact O-CB 3.39Å; C222-R226 VanDerWaalsContact O-CG 3.31Å; C222-R226 WeakPolarHBondContact O-CG 3.28Å; C222-R226 PolarHBondContact O-N 3.18Å
223F92.5Very high92.8Very high105 Ų10593.2 Ų93.246%0.46147%0.465SS..Hα-helixtrans-62-50.1175.3177.5-99.7000112.3D219 Y220 R221 L225 R226 C227D219-F223 WeakPolarHBondContact O-CB 3.21Å; D219-F223 PolarHBondContact O-N 3.39Å; Y220-F223 WeakPolarHBondContact O-CB 3.43Å; Y220-F223 PolarHBondContact O-N 3.27Å; R221-F223 VanDerWaalsContact C-N 3.3Å; R221-F223 PolarHBondContact O-N 3.41Å; F223-L225 VanDerWaalsContact C-N 3.28Å; F223-L225 PolarHBondContact O-N 2.79Å; F223-R226 PolarHBondContact O-N 2.95Å; F223-C227 VanDerWaalsContact CZ-SG 3.57Å; F223-C227 PolarHBondContact O-N 3.14Å; F223-C227 PolarHBondContact O-SG 3.08Å; F223-C227 VanDerWaalsContact O-SG 3.38Å
224Q94.4Very high92.5Very high70 Ų7089.6 Ų89.633%0.32745%0.45SS..Hα-helixtrans-56.9-42177.2-75.3-174-33.100112.3Y220 R221 C227 K228Y220-Q224 HydrophobicContact CD1-CG 4.37Å; Y220-Q224 HydrophobicContact CE1-CG 3.99Å; Y220-Q224 HydrophobicContact CE2-CG 4.24Å; Y220-Q224 WeakPolarHBondContact O-CG 3.47Å; Y220-Q224 PolarHBondContact O-N 3.27Å; Y220-Q224 PolarHBondContact OH-NE2 3.1Å; R221-Q224 PolarHBondContact O-N 3.14Å; Q224-C227 PolarHBondContact O-N 2.94Å; Q224-K228 WeakPolarHBondContact O-CG 3.35Å; Q224-K228 PolarHBondContact O-N 3.22Å
225L93Very high92.3Very high100 Ų10090.2 Ų90.252%0.52445%0.45SS..Hα-helixtrans-66.4-44.3177.3-74.7168.6000111.5R221 C222 F223 C227 K228 L229R221-L225 WeakPolarHBondContact O-CB 3.4Å; R221-L225 WeakPolarHBondContact O-CG 3.48Å; R221-L225 PolarHBondContact O-N 3.26Å; C222-L225 PolarHBondContact O-N 3.27Å; F223-L225 VanDerWaalsContact C-N 3.28Å; F223-L225 PolarHBondContact O-N 2.79Å; L225-C227 VanDerWaalsContact C-N 3.31Å; L225-C227 PolarHBondContact O-N 2.82Å; L225-K228 PolarHBondContact O-N 2.75Å; L225-K228 VanDerWaalsContact O-N 3.16Å; L225-L229 WeakPolarHBondContact O-CB 3.28Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.21Å; L225-L229 PolarHBondContact O-N 3.05Å
226R93.6Very high91.9Very high80 Ų8088.6 Ų88.630%0.30245%0.447SS..Hα-helixtrans-59-42.7175.1-75.8178.363.5-170.70.3112C222 F223 L229 C230 D231 W232C222-R226 WeakPolarHBondContact O-CB 3.39Å; C222-R226 VanDerWaalsContact O-CG 3.31Å; C222-R226 WeakPolarHBondContact O-CG 3.28Å; C222-R226 PolarHBondContact O-N 3.18Å; F223-R226 PolarHBondContact O-N 2.95Å; R226-L229 CarbonylContact O-C 3.57Å; R226-L229 PolarHBondContact O-N 3.4Å; R226-C230 PolarHBondContact O-N 2.98Å; R226-D231 HydrophobicContact CB-CB 4.33Å; R226-D231 HydrophobicContact CG-CB 4.28Å; R226-D231 PolarHBondContact NE-O 3.29Å; R226-D231 PolarHBondContact NH2-O 3.21Å; R226-D231 PolarHBondContact O-N 3.42Å; R226-W232 PolarHBondContact NH2-O 3.49Å
227C92.1Very high91.6Very high46 Ų4686.6 Ų86.631%0.31143%0.433SS..Hα-helixtrans-61.9-43.6174.4-67.40000112.2F223 Q224 L225 L229 C230F223-C227 VanDerWaalsContact CZ-SG 3.57Å; F223-C227 PolarHBondContact O-N 3.14Å; F223-C227 PolarHBondContact O-SG 3.08Å; F223-C227 VanDerWaalsContact O-SG 3.38Å; Q224-C227 PolarHBondContact O-N 2.94Å; L225-C227 VanDerWaalsContact C-N 3.31Å; L225-C227 PolarHBondContact O-N 2.82Å; C227-L229 VanDerWaalsContact C-N 3.31Å; C227-L229 PolarHBondContact O-N 3.25Å; C227-C230 PolarHBondContact O-N 3.1Å
228K94.2Very high91.3Very high167 Ų16787.4 Ų87.473%0.72644%0.44SS*.Hα-helixtrans-65.2-32.8177-74.8176.8-179.8-179.20113.3Q224 L225 C230Q224-K228 WeakPolarHBondContact O-CG 3.35Å; Q224-K228 PolarHBondContact O-N 3.22Å; L225-K228 PolarHBondContact O-N 2.75Å; L225-K228 VanDerWaalsContact O-N 3.16Å; K228-C230 VanDerWaalsContact C-N 3.34Å
229L93.3Very high91.2Very high119 Ų11990.1 Ų90.162%0.62345%0.446SS*.THydrogen-bonded Turntrans-87.7-2.3178.6-66.6173.7000113.2L225 R226 C227 D231L225-L229 WeakPolarHBondContact O-CB 3.28Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.21Å; L225-L229 PolarHBondContact O-N 3.05Å; R226-L229 CarbonylContact O-C 3.57Å; R226-L229 PolarHBondContact O-N 3.4Å; C227-L229 VanDerWaalsContact C-N 3.31Å; C227-L229 PolarHBondContact O-N 3.25Å; L229-D231 HydrophobicContact CB-CB 4.37Å; L229-D231 PolarHBondContact O-N 2.96Å
230C91.2Very high90.8Very high78 Ų7887.8 Ų87.853%0.52744%0.44SS..THydrogen-bonded Turntrans53.232.7-170.7-61.40000112.9R226 C227 K228 W232R226-C230 PolarHBondContact O-N 2.98Å; C227-C230 PolarHBondContact O-N 3.1Å; K228-C230 VanDerWaalsContact C-N 3.34Å; C230-W232 VanDerWaalsContact C-N 3.25Å; C230-W232 HydrophobicContact CB-CZ2 4.36Å; C230-W232 PolarHBondContact O-N 3.36Å; C230-W232 PolarHBondContact O-NE1 2.94Å
231D90.7Very high90.5Very high13 Ų1387.9 Ų87.97%0.0744%0.444CS..  trans-83.767.9-179.7-175.125.6000111.2R226 L229 G234 S235 S236 L237R226-D231 HydrophobicContact CB-CB 4.33Å; R226-D231 HydrophobicContact CG-CB 4.28Å; R226-D231 PolarHBondContact NE-O 3.29Å; R226-D231 PolarHBondContact NH2-O 3.21Å; R226-D231 PolarHBondContact O-N 3.42Å; L229-D231 HydrophobicContact CB-CB 4.37Å; L229-D231 PolarHBondContact O-N 2.96Å; D231-G234 PolarHBondContact O-N 3.02Å; D231-G234 VanDerWaalsContact OD1-C 3.25Å; D231-G234 WeakPolarHBondContact OD1-CA 3.45Å; D231-G234 PolarHBondContact OD1-N 2.79Å; D231-G234 WeakPolarHBondContact OD2-CA 3.39Å; D231-S235 PolarHBondContact OD1-N 2.92Å; D231-S236 PolarHBondContact OD1-N 3.02Å; D231-S236 WeakPolarHBondContact OD2-CB 3.45Å; D231-S236 PolarHBondContact OD2-N 3.24Å; D231-L237 PolarHBondContact OD2-N 3.07Å
232W87.4Confident90.3Very high186 Ų18683.6 Ų83.671%0.70544%0.435SS*.SBendtrans-67.7-42.6-176.8-51.6115.3000112R226 C230 G234R226-W232 PolarHBondContact NH2-O 3.49Å; C230-W232 VanDerWaalsContact C-N 3.25Å; C230-W232 HydrophobicContact CB-CZ2 4.36Å; C230-W232 PolarHBondContact O-N 3.36Å; C230-W232 PolarHBondContact O-NE1 2.94Å; W232-G234 VanDerWaalsContact C-N 3.31Å
233E88.5Confident90.1Very high178 Ų17885.7 Ų85.783%0.83244%0.443SS*.SBendtrans-78-16.3179.7-62-172.9167.900112.6
234G86.4Confident89.7Confident5 Ų585 Ų855%0.05245%0.447CS..  trans81.517-179.300000113.5D231 W232 S236 L237 V238D231-G234 PolarHBondContact O-N 3.02Å; D231-G234 VanDerWaalsContact OD1-C 3.25Å; D231-G234 WeakPolarHBondContact OD1-CA 3.45Å; D231-G234 PolarHBondContact OD1-N 2.79Å; D231-G234 WeakPolarHBondContact OD2-CA 3.39Å; W232-G234 VanDerWaalsContact C-N 3.31Å; G234-S236 PolarHBondContact O-N 3.22Å; G234-L237 PolarHBondContact O-N 3.31Å; G234-V238 WeakPolarHBondContact O-CB 3.46Å; G234-V238 VanDerWaalsContact O-CG2 3.27Å; G234-V238 WeakPolarHBondContact O-CG2 3.27Å; G234-V238 PolarHBondContact O-N 3.28Å
235S89.3Confident89.1Confident71 Ų7188.6 Ų88.650%0.49746%0.458SS..Hα-helixtrans-60.3-44.8-178.6-63.40000111.7D231 V238 E239D231-S235 PolarHBondContact OD1-N 2.92Å; S235-V238 PolarHBondContact O-N 3.45Å; S235-E239 PolarHBondContact O-N 2.93Å
236S86.7Confident88.3Confident57 Ų5788.1 Ų88.140%0.39946%0.456SS..Hα-helixtrans-69.7-36.1177.3-56.50000112D231 G234 A240D231-S236 PolarHBondContact OD1-N 3.02Å; D231-S236 WeakPolarHBondContact OD2-CB 3.45Å; D231-S236 PolarHBondContact OD2-N 3.24Å; G234-S236 PolarHBondContact O-N 3.22Å; S236-A240 WeakPolarHBondContact O-CB 3.43Å; S236-A240 PolarHBondContact O-N 2.91Å
237L88.1Confident86.9Confident49 Ų4990.4 Ų90.426%0.25747%0.469SS..Hα-helixtrans-62.9-46172.8-178.3121000111.7D231 G234 E239 A240 E241D231-L237 PolarHBondContact OD2-N 3.07Å; G234-L237 PolarHBondContact O-N 3.31Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 3.13Å; L237-A240 PolarHBondContact O-N 3.17Å; L237-E241 WeakPolarHBondContact CD2-OE1 3.29Å; L237-E241 WeakPolarHBondContact O-CG 3.26Å; L237-E241 PolarHBondContact O-N 2.91Å
238V89.9Confident85.4Confident81 Ų8195.2 Ų95.249%0.49149%0.487SS..Hα-helixtrans-62.7-40.9178.6169.50000111.4G234 S235 E241 A242G234-V238 WeakPolarHBondContact O-CB 3.46Å; G234-V238 VanDerWaalsContact O-CG2 3.27Å; G234-V238 WeakPolarHBondContact O-CG2 3.27Å; G234-V238 PolarHBondContact O-N 3.28Å; S235-V238 PolarHBondContact O-N 3.45Å; V238-E241 PolarHBondContact O-N 2.88Å; V238-A242 WeakPolarHBondContact O-CB 3.2Å; V238-A242 PolarHBondContact O-N 3.04Å
239E90Very high83.6Confident126 Ų12694 Ų9459%0.58948%0.484SS*.Hα-helixtrans-60.6-47.6173.8-174.8-177.8179.100111.4S235 L237 E241 A242 L243S235-E239 PolarHBondContact O-N 2.93Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 3.13Å; E239-E241 PolarHBondContact O-N 3.29Å; E239-A242 WeakPolarHBondContact O-CB 3.4Å; E239-A242 PolarHBondContact O-N 3.46Å; E239-A242 VanDerWaalsContact O-N 3.13Å; E239-L243 WeakPolarHBondContact O-CG 3.4Å; E239-L243 PolarHBondContact O-N 2.93Å
240A86.8Confident81.7Confident50 Ų5093.8 Ų93.841%0.41348%0.484SS..Hα-helixtrans-61.3-42176.600000112.3S236 L237 A242 L243 V244S236-A240 WeakPolarHBondContact O-CB 3.43Å; S236-A240 PolarHBondContact O-N 2.91Å; L237-A240 PolarHBondContact O-N 3.17Å; A240-A242 VanDerWaalsContact C-N 3.3Å; A240-A242 PolarHBondContact O-N 2.86Å; A240-L243 PolarHBondContact O-N 3.48Å; A240-V244 WeakPolarHBondContact O-CG2 3.27Å; A240-V244 PolarHBondContact O-N 3.35Å
241E87.8Confident79.8Confident91 Ų9196.7 Ų96.743%0.42549%0.489SS..Hα-helixtrans-63.7-34174.5-75-176.8174.300112.7L237 V238 E239 R245L237-E241 WeakPolarHBondContact CD2-OE1 3.29Å; L237-E241 WeakPolarHBondContact O-CG 3.26Å; L237-E241 PolarHBondContact O-N 2.91Å; V238-E241 PolarHBondContact O-N 2.88Å; E239-E241 PolarHBondContact O-N 3.29Å; E241-R245 WeakPolarHBondContact O-CG 3.31Å; E241-R245 PolarHBondContact O-N 3.03Å; E241-R245 VanDerWaalsContact O-N 3.12Å; E241-R245 PolarHBondContact O-NE 3.32Å
242A89.7Confident77.7Confident35 Ų3598.4 Ų98.429%0.28951%0.51SS..Hα-helixtrans-68.7-42.9174.500000111.3V238 E239 A240 V244 R245 N246V238-A242 WeakPolarHBondContact O-CB 3.2Å; V238-A242 PolarHBondContact O-N 3.04Å; E239-A242 WeakPolarHBondContact O-CB 3.4Å; E239-A242 PolarHBondContact O-N 3.46Å; E239-A242 VanDerWaalsContact O-N 3.13Å; A240-A242 VanDerWaalsContact C-N 3.3Å; A240-A242 PolarHBondContact O-N 2.86Å; A242-V244 PolarHBondContact O-N 2.89Å; A242-R245 PolarHBondContact O-N 3.37Å; A242-N246 PolarHBondContact O-N 3.04Å; A242-N246 PolarHBondContact O-ND2 3.39Å
243L87.8Confident75.9Confident93 Ų9392.8 Ų92.849%0.48750%0.496SS..Hα-helixtrans-58.9-44.9175.2-69.7173.3000111.8E239 A240 R245 N246 H247E239-L243 WeakPolarHBondContact O-CG 3.4Å; E239-L243 PolarHBondContact O-N 2.93Å; A240-L243 PolarHBondContact O-N 3.48Å; L243-R245 PolarHBondContact O-N 3.44Å; L243-N246 PolarHBondContact O-N 3.01Å; L243-H247 PolarHBondContact O-CD2 3.38Å; L243-H247 PolarHBondContact O-N 3.01Å
244V83.6Confident73.8Confident90 Ų9091.5 Ų91.555%0.54549%0.49SS..Hα-helixtrans-65.1-40.1178.3174.50000111.9A240 A242 N246 H247 H248A240-V244 WeakPolarHBondContact O-CG2 3.27Å; A240-V244 PolarHBondContact O-N 3.35Å; A242-V244 PolarHBondContact O-N 2.89Å; V244-N246 VanDerWaalsContact C-N 3.34Å; V244-H247 PolarHBondContact O-N 3.15Å; V244-H248 PolarHBondContact O-N 3.19Å; V244-H248 VanDerWaalsContact O-N 3.17Å
245R81.7Confident71.7Confident146 Ų14696.2 Ų96.255%0.55152%0.518SS*.Hα-helixtrans-61.8-42.6175-80-176.4-84.1166.7-9.6111.7E241 A242 L243 H247 H248 E249E241-R245 WeakPolarHBondContact O-CG 3.31Å; E241-R245 PolarHBondContact O-N 3.03Å; E241-R245 VanDerWaalsContact O-N 3.12Å; E241-R245 PolarHBondContact O-NE 3.32Å; A242-R245 PolarHBondContact O-N 3.37Å; L243-R245 PolarHBondContact O-N 3.44Å; R245-H247 PolarHBondContact O-N 3.13Å; R245-H248 PolarHBondContact O-N 3.46Å; R245-E249 PolarHBondContact O-N 3.42Å
246N75.4Confident69.5Low90 Ų90100.8 Ų100.848%0.48153%0.534SS..Hα-helixtrans-66-36.5178.1-64.9-21000112.4A242 L243 V244 H248 E249 N250A242-N246 PolarHBondContact O-N 3.04Å; A242-N246 PolarHBondContact O-ND2 3.39Å; L243-N246 PolarHBondContact O-N 3.01Å; V244-N246 VanDerWaalsContact C-N 3.34Å; N246-H248 VanDerWaalsContact C-N 3.34Å; N246-H248 PolarHBondContact O-N 2.89Å; N246-E249 PolarHBondContact O-N 3.01Å; N246-N250 PolarHBondContact O-N 2.9Å
247H64.6Low67.4Low127 Ų127107.7 Ų107.759%0.58855%0.551SS**Hα-helixtrans-64.9-36.6174.1-82.5-67.4000112.9L243 V244 R245 E249 N250 E251L243-H247 PolarHBondContact O-CD2 3.38Å; L243-H247 PolarHBondContact O-N 3.01Å; V244-H247 PolarHBondContact O-N 3.15Å; R245-H247 PolarHBondContact O-N 3.13Å; H247-E249 VanDerWaalsContact C-N 3.31Å; H247-E249 PolarHBondContact O-N 3.38Å; H247-N250 PolarHBondContact O-N 3.01Å; H247-E251 PolarHBondContact O-N 3.02Å; H247-E251 VanDerWaalsContact O-N 3.16Å
248H59.5Low65.2Low147 Ų147110.3 Ų110.368%0.68157%0.574SS**Hα-helixtrans-70.2-25.7177.6-107-64.4000113.8V244 R245 N246V244-H248 PolarHBondContact O-N 3.19Å; V244-H248 VanDerWaalsContact O-N 3.17Å; R245-H248 PolarHBondContact O-N 3.46Å; N246-H248 VanDerWaalsContact C-N 3.34Å; N246-H248 PolarHBondContact O-N 2.89Å
249E56.3Low63.1Low141 Ų141114.5 Ų114.566%0.65959%0.592SS**Hα-helixtrans-77.8-30.9174.7-67.4-171.2168.100112.4R245 N246 H247R245-E249 PolarHBondContact O-N 3.42Å; N246-E249 PolarHBondContact O-N 3.01Å; H247-E249 VanDerWaalsContact C-N 3.31Å; H247-E249 PolarHBondContact O-N 3.38Å
250N54.2Low60.9Low116 Ų116117.2 Ų117.262%0.6260%0.602SS**Hα-helixtrans-79.8-39.3178.8-78.1-21.5000113.5N246 H247 G252 V253N246-N250 PolarHBondContact O-N 2.9Å; H247-N250 PolarHBondContact O-N 3.01Å; N250-G252 VanDerWaalsContact C-N 3.28Å; N250-G252 PolarHBondContact O-N 3.19Å; N250-V253 PolarHBondContact O-N 3.26Å
251E52.2Low59.2Low138 Ų138122.8 Ų122.865%0.64563%0.625SS**Hα-helixtrans-70.3-24.2178.3-73.4-101137.400113.1H247 V253 T255H247-E251 PolarHBondContact O-N 3.02Å; H247-E251 VanDerWaalsContact O-N 3.16Å; E251-V253 VanDerWaalsContact C-N 3.35Å; E251-T255 PolarHBondContact O-OG1 3.32Å
252G45.4Very low56.9Low50 Ų50125.6 Ų125.652%0.51564%0.643SS.*Hα-helixtrans-75.4-16.917900000115N250N250-G252 VanDerWaalsContact C-N 3.28Å; N250-G252 PolarHBondContact O-N 3.19Å
253V49.2Very low55Low67 Ų67133.4 Ų133.441%0.40667%0.67SS.*Hα-helixtrans-99.4-27.1-176.8-1800000112.4N250 E251N250-V253 PolarHBondContact O-N 3.26Å; E251-V253 VanDerWaalsContact C-N 3.35Å
254E46.1Very low52.8Low152 Ų152140.9 Ų140.971%0.7169%0.692SS**Hα-helixtrans-86.2-30.7-178.1-67.6-171156.600113.4M256E254-M256 VanDerWaalsContact C-N 3.28Å; E254-M256 PolarHBondContact O-N 3.17Å
255T42.1Very low51.1Low104 Ų104147.8 Ų147.864%0.63871%0.708SS**THydrogen-bonded Turntrans-76-14-179.4-45.40000113.5E251E251-T255 PolarHBondContact O-OG1 3.32Å
256M42.5Very low49.4Very low167 Ų167146.6 Ų146.682%0.82372%0.72SS**THydrogen-bonded Turntrans-103-1-179.2-76.3-74.8-73.400114.4E254E254-M256 VanDerWaalsContact C-N 3.28Å; E254-M256 PolarHBondContact O-N 3.17Å
257R42.4Very low47.7Very low201 Ų201150.3 Ų150.376%0.75874%0.74SS**SBendtrans-108.1-3.8-178.1-68.7-179.1-179.1-178.82.8114.9
258S41.3Very low46.8Very low105 Ų105156 Ų15673%0.73476%0.756SS**SBendtrans-114.321.4-176.5-155.60000115.6
259L47.7Very low46Very low168 Ų168159.2 Ų159.288%0.8877%0.768SS**  trans-131.552.9172.4-85.3158.3000110.7
260K42.7Very low45.6Very low184 Ų184164.1 Ų164.180%0.878%0.78SS**  trans-120.744.8171-142.8176.3-172.8-179.70110.9N262K260-N262 PolarHBondContact O-N 3.11Å
261D50.1Low45Very low166 Ų166168.4 Ų168.489%0.88879%0.794SS**  trans-83.5109.8167.1-101.6-24.7000110.4K263D261-K263 PolarHBondContact O-N 3.41Å
262N41.1Very low44.5Very low150 Ų150170 Ų17080%0.80281%0.805SS**  trans-61.494.3175.7-72-51.9000111.1K260K260-N262 PolarHBondContact O-N 3.11Å
263K48.8Very low44.5Very low199 Ų199173.1 Ų173.187%0.86581%0.814SS**  trans-114.593.8155.3-89.6-179.5177.9170.40110.4D261 R265D261-K263 PolarHBondContact O-N 3.41Å; K263-R265 PolarHBondContact O-N 2.93Å; K263-R265 VanDerWaalsContact O-N 3.15Å
264R42.4Very low44.1Very low250 Ų250179.5 Ų179.594%0.94384%0.837SS**  trans-47.3114.1162.7-69.3-177.4171.8-162.9-1.7109.2
265R47.8Very low43.7Very low235 Ų235182.6 Ų182.689%0.88784%0.842SS**  trans-106.2131.6159.3-89.6-174.9171.4179.4-1108.6K263K263-R265 PolarHBondContact O-N 2.93Å; K263-R265 VanDerWaalsContact O-N 3.15Å
266P45.7Very low43.6Very low122 Ų122188.6 Ų188.679%0.79286%0.859SS**  trans-76140.1-17330-32.4000111.4R268P266-R268 PolarHBondContact O-N 2.99Å
267N39.1Very low43.5Very low168 Ų168185.1 Ų185.190%0.89885%0.852SS**  trans-58.4114.6170.2-75.3-39.6000110.6
268R46.3Very low43.3Very low246 Ų246182.8 Ų182.893%0.92885%0.854SS**  trans-119.1103.9159.8-110.8-179.7168.7176.3-3.3109.1P266 R270P266-R268 PolarHBondContact O-N 2.99Å; R268-R270 PolarHBondContact O-N 3.33Å
269K42.4Very low43.1Very low215 Ų215186 Ų18694%0.93586%0.862SS**  trans-50.5121.3166.3-73.9173.6174.31740109.5
270R47.1Very low42.6Very low243 Ų243183.4 Ų183.492%0.91786%0.855SS**  trans-128.3110.7153.9-95.3-178.1167.2143.3-3.9108.4R268 L272R268-R270 PolarHBondContact O-N 3.33Å; R270-L272 PolarHBondContact O-N 3.2Å
271K42.5Very low42.4Very low207 Ų207182.2 Ų182.290%0.986%0.858SS**  trans-57.8121.6160.7-82.6176.5172.1178.40107.4
272L42.1Very low42Very low170 Ų170180 Ų18089%0.8985%0.853SS**  trans-124.996.6154.7-151.587.2000108.7R270R270-L272 PolarHBondContact O-N 3.2Å
273V44.4Very low41.7Very low117 Ų117179.7 Ų179.771%0.70986%0.856SS**  trans0.1120.4151.6179.10000116.5
274K41.7Very low41.3Very low201 Ų201176.1 Ų176.187%0.87486%0.856SS**  trans-49.4129.2153.6-73.9174.6171.4179.90110.6
275R36.9Very low41.1Very low217 Ų217168.7 Ų168.782%0.81984%0.843SS**  trans-179.495149.3-103168.8-169.3-174.23.2109.2
276F39.8Very low40.9Very low229 Ų229163.8 Ų163.8100%1.00483%0.834SS**  trans-157.967.5149.8-85.4-66.8000107.6
277S41.7Very low40.5Very low94 Ų94166.6 Ų166.666%0.65784%0.837SS**  trans-139.3141.3152.357.30000103.7
278N38.5Very low40.7Very low153 Ų153163 Ų16382%0.81883%0.83SS**  trans106.790.4-178-48-10.8000113.4
279L36.7Very low40.6Very low172 Ų172156.5 Ų156.590%0.90182%0.823SS**  trans-139.1148.8134.5-122.473.5000105.9
280P36.7Very low40.6Very low113 Ų113152.5 Ų152.573%0.73481%0.812SS**  -110.9147.3-128.8718.3000111
281N38.6Very low40.4Very low160 Ų160146.6 Ų146.686%0.85680%0.798SS**  trans-67.5141.4161-89.2-2.5000109.5T283N281-T283 PolarHBondContact O-N 3.04Å
282P41.1Very low40.6Very low119 Ų119143.4 Ų143.477%0.77379%0.791SS**  trans-69.4131.6176.628.3-30.8000110.3
283T35.5Very low40.9Very low143 Ų143142.1 Ų142.188%0.87779%0.785SS**  trans-41.5129.6169.243.30000114.1N281N281-T283 PolarHBondContact O-N 3.04Å
284S40Very low41.4Very low124 Ų124143.7 Ų143.787%0.86779%0.789SS**  trans-144.2132.7149.3-1800000109.1
285S39.2Very low41.9Very low94 Ų94143.9 Ų143.966%0.65779%0.793SS**  trans-51.3152.9-170.4-1340000118.3
286D41.9Very low42.6Very low133 Ų133135.3 Ų135.371%0.71177%0.772SS**  trans78.499.5142.5-65.1-40.7000121.8
287E38.8Very low43.8Very low180 Ų180126.5 Ų126.584%0.84175%0.746SS**  50.1146.9118.1-57.3-60.2141.400122.1
288A42.9Very low45.2Very low93 Ų93128 Ų12877%0.76975%0.754SS**  trans89.794.1174.900000115.1
289S43.4Very low46.4Very low110 Ų110130.1 Ų130.177%0.76976%0.756SS**  91.6114.874.5-173.40000112.2
290D42.5Very low48Very low131 Ų131124.9 Ų124.970%0.70173%0.734SS**  trans75.7117.3145.2-103.116.8000121.5
291N42.7Very low49.8Very low118 Ų118126.5 Ų126.563%0.63173%0.729SS**  trans97.8119133.2-60.4-30.5000119.8
292D47.7Very low51.9Low141 Ų141123.8 Ų123.875%0.75472%0.719SS**  trans91.9111.6141-56.3-30.3000120.5
293D48.7Very low53.8Low143 Ų143126.7 Ų126.777%0.76571%0.714SS**  trans54.392.4142.1-82.8-23000118.5
294D53.5Low56.1Low149 Ų149123.9 Ų123.980%0.79770%0.697SS**  trans-153.992.2141.5-94.2-37.1000110.4G296D294-G296 PolarHBondContact O-N 3.36Å
295Q54Low58Low206 Ų206124 Ų12496%0.96370%0.695SS**  trans-73.443.7164.5-74.8-160.957.800112.1G297Q295-G297 PolarHBondContact O-N 3.02Å
296G51.4Low60.3Low36 Ų36123.8 Ų123.837%0.37171%0.707SS.*  trans-87106.7179.800000111.5D294 S300D294-G296 PolarHBondContact O-N 3.36Å; G296-S300 VanDerWaalsContact CA-CB 3.43Å; G296-S300 WeakPolarHBondContact CA-OG 3.48Å
297G64.3Low62.1Low44 Ų44120.7 Ų120.745%0.45470%0.695SS.*  trans-53.7166.9164.700000111.6Q295 F299 S300Q295-G297 PolarHBondContact O-N 3.02Å; G297-F299 PolarHBondContact O-N 2.85Å; G297-S300 WeakPolarHBondContact O-CB 3.25Å; G297-S300 PolarHBondContact O-N 2.78Å; G297-S300 PolarHBondContact O-OG 3.21Å
298P70.4Confident64.3Low127 Ų127123 Ų12383%0.82570%0.696SS**THydrogen-bonded Turntrans-60.1-1.3-172.222.1-33.1000115.8
299F63.6Low66.2Low197 Ų197122.4 Ų122.486%0.86467%0.674SS**THydrogen-bonded Turntrans-123.114.2177.6-53.7-70.8000113.2G297G297-F299 PolarHBondContact O-N 2.85Å
300S70.1Confident67.9Low62 Ų62123.9 Ų123.943%0.43467%0.673SS.*  trans-69.6135175.655.80000110.6G296 G297 V302G296-S300 VanDerWaalsContact CA-CB 3.43Å; G296-S300 WeakPolarHBondContact CA-OG 3.48Å; G297-S300 WeakPolarHBondContact O-CB 3.25Å; G297-S300 PolarHBondContact O-N 2.78Å; G297-S300 PolarHBondContact O-OG 3.21Å; S300-V302 PolarHBondContact O-N 2.85Å
301F75.6Confident69.4Low146 Ų146126.7 Ų126.764%0.6468%0.679SS**  trans-81.2111.2-179.1172.7-101.6000110R303 Y309F301-R303 HydrophobicContact CD1-CG 4.41Å; F301-R303 HydrophobicContact CE1-CG 3.81Å; F301-Y309 HydrophobicContact CE1-CD1 4.47Å; F301-Y309 HydrophobicContact CE1-CE1 4.35Å; F301-Y309 HydrophobicContact CE2-CE1 4.36Å; F301-Y309 AromaticContact CZ-CD1 3.88Å; F301-Y309 HydrophobicContact CZ-CD1 3.88Å; F301-Y309 AromaticContact CZ-CE1 3.49Å; F301-Y309 HydrophobicContact CZ-CE1 3.49Å; F301-Y309 VanDerWaalsContact CZ-CE1 3.49Å; F301-Y309 HydrophobicContact CZ-CE2 4.35Å; F301-Y309 HydrophobicContact CZ-CG 4.46Å; F301-Y309 AromaticContact CZ-CZ 3.72Å
302V81.6Confident70Confident104 Ų104126.6 Ų126.663%0.6369%0.685SS**PPolyproline II helixtrans-90.9124.4174.6-175.60000109.1S300 T304S300-V302 PolarHBondContact O-N 2.85Å; V302-T304 PolarHBondContact O-N 3.28Å
303R82.3Confident70.4Confident180 Ų180129.7 Ų129.768%0.67969%0.686SS**PPolyproline II helixtrans-70.6125.1177.4-72.6-176.7178.3-148.91.2109.7F301 Y309F301-R303 HydrophobicContact CD1-CG 4.41Å; F301-R303 HydrophobicContact CE1-CG 3.81Å; R303-Y309 HydrophobicContact CB-CD2 4.36Å; R303-Y309 HydrophobicContact CB-CE2 3.71Å; R303-Y309 HydrophobicContact CG-CD2 3.94Å; R303-Y309 HydrophobicContact CG-CE2 3.73Å
304T82.5Confident70.7Confident84 Ų84126.4 Ų126.452%0.51567%0.674SS.*PPolyproline II helixtrans-71.2125.8174.6-270000109.5V302 G306 C307 Y309V302-T304 PolarHBondContact O-N 3.28Å; T304-G306 PolarHBondContact O-N 2.97Å; T304-C307 PolarHBondContact O-N 2.92Å; T304-C307 VanDerWaalsContact O-N 3.16Å; T304-Y309 PolarHBondContact N-OH 3Å; T304-Y309 PolarHBondContact OG1-OH 3.12Å
305P81.5Confident70.7Confident127 Ų127124 Ų12483%0.82566%0.661SS**THydrogen-bonded Turntrans-54.3133173.3-23.232.2000110.7
306G87.8Confident70.6Confident88 Ų88119 Ų11991%0.90764%0.64SS**THydrogen-bonded Turntrans89.9-6.7-177.600000115.8T304T304-G306 PolarHBondContact O-N 2.97Å
307C79.2Confident70.4Confident69 Ų69124.3 Ų124.347%0.46666%0.655SS.*  trans-95.1128.7175.5-68.10000112.5T304 Y309T304-C307 PolarHBondContact O-N 2.92Å; T304-C307 VanDerWaalsContact O-N 3.16Å; C307-Y309 HydrophobicContact CB-CE1 4.25Å; C307-Y309 HydrophobicContact CB-CE2 3.79Å
308R84.6Confident69.5Low227 Ų227129.6 Ų129.686%0.85767%0.668SS**  trans-91.6103.7171.9-171178.3-177.2-179.21.5110.3
309Y82.6Confident67.9Low81 Ų81128.5 Ų128.532%0.31866%0.662SS.*PPolyproline II helixtrans-82.5119.8175-56.9-78.6000110.5F301 R303 T304 C307F301-Y309 HydrophobicContact CE1-CD1 4.47Å; F301-Y309 HydrophobicContact CE1-CE1 4.35Å; F301-Y309 HydrophobicContact CE2-CE1 4.36Å; F301-Y309 AromaticContact CZ-CD1 3.88Å; F301-Y309 HydrophobicContact CZ-CD1 3.88Å; F301-Y309 AromaticContact CZ-CE1 3.49Å; F301-Y309 HydrophobicContact CZ-CE1 3.49Å; F301-Y309 VanDerWaalsContact CZ-CE1 3.49Å; F301-Y309 HydrophobicContact CZ-CE2 4.35Å; F301-Y309 HydrophobicContact CZ-CG 4.46Å; F301-Y309 AromaticContact CZ-CZ 3.72Å; R303-Y309 HydrophobicContact CB-CD2 4.36Å; R303-Y309 HydrophobicContact CB-CE2 3.71Å; R303-Y309 HydrophobicContact CG-CD2 3.94Å; R303-Y309 HydrophobicContact CG-CE2 3.73Å; T304-Y309 PolarHBondContact N-OH 3Å; T304-Y309 PolarHBondContact OG1-OH 3.12Å; C307-Y309 HydrophobicContact CB-CE1 4.25Å; C307-Y309 HydrophobicContact CB-CE2 3.79Å
310L78.3Confident66.4Low141 Ų141123 Ų12374%0.73865%0.648SS**PPolyproline II helixtrans-85.8144.7175.8-62176000110.5
311K75.4Confident64.8Low191 Ų191126.3 Ų126.383%0.8367%0.666SS**PPolyproline II helixtrans-60.1139.1173.3-175.3-179.4176.9-178.50109.5R313K311-R313 PolarHBondContact O-N 3.19Å
312P55.2Low62.8Low115 Ų115126.5 Ų126.575%0.74767%0.673SS**PPolyproline II helixtrans-53.9131.1171.6-23.332.4000110.6
313R56.7Low60.4Low206 Ų206129.9 Ų129.978%0.77769%0.687SS**PPolyproline II helixtrans-63.8141.1172.2-71.3-173.2176.1-164-0.6109.6K311 L315 E318K311-R313 PolarHBondContact O-N 3.19Å; R313-L315 PolarHBondContact O-N 3.05Å; R313-E318 IonicContact NH1-OE1 2.95Å; R313-E318 PolarHBondContact NH1-OE1 3.42Å
314S54.3Low58.2Low74 Ų74125.2 Ų125.252%0.51768%0.682SS.*  trans-59.2104.2169.728.80000108.7L316 E317S314-L316 PolarHBondContact O-N 3.35Å; S314-E317 PolarHBondContact O-N 3.36Å; S314-E317 PolarHBondContact OG-OE2 2.84Å
315L52.5Low55.9Low98 Ų98126.7 Ų126.751%0.51369%0.693SS.*THydrogen-bonded Turntrans-60.4-4.2-173.6-163.5114000114.5R313 Y335 A370R313-L315 PolarHBondContact O-N 3.05Å; L315-Y335 HydrophobicContact CD1-CE2 3.77Å; L315-Y335 HydrophobicContact CD2-CD1 4.41Å; L315-Y335 HydrophobicContact CD2-CD2 3.77Å; L315-Y335 HydrophobicContact CD2-CE1 4.37Å; L315-Y335 HydrophobicContact CD2-CE2 3.72Å; L315-Y335 HydrophobicContact CD2-CG 4.12Å; L315-Y335 HydrophobicContact CG-CE2 4.28Å; L315-A370 HydrophobicContact CD2-CB 3.85Å
316L52.1Low53.8Low102 Ų102127.3 Ų127.353%0.53468%0.684SS.*THydrogen-bonded Turntrans-99.9-18.4-174.3-15175.1000114.2S314 P373S314-L316 PolarHBondContact O-N 3.35Å; L316-P373 HydrophobicContact CD1-CG 3.73Å; L316-P373 HydrophobicContact CD2-CB 3.95Å; L316-P373 HydrophobicContact CD2-CG 3.4Å; L316-P373 HydrophobicContact CG-CG 4.21Å
317E47.4Very low51.9Low147 Ų147129.8 Ų129.869%0.68768%0.684SS**THydrogen-bonded Turntrans-79.1-18.1-177.4-87.1165.7142.800113.9S314S314-E317 PolarHBondContact O-N 3.36Å; S314-E317 PolarHBondContact OG-OE2 2.84Å
318E45.3Very low50.4Low156 Ų156131.4 Ų131.473%0.72970%0.696SS**THydrogen-bonded Turntrans-97.54.3177.8-73.1176.7-170.800113.4R313R313-E318 IonicContact NH1-OE1 2.95Å; R313-E318 PolarHBondContact NH1-OE1 3.42Å
319C37.1Very low48.7Very low103 Ų103131 Ų13170%0.69670%0.695SS**  trans-100.646.8170.8-1080000111T321C319-T321 PolarHBondContact O-N 2.88Å
320S33.1Very low47.1Very low81 Ų81130 Ų13057%0.56670%0.699SS**  trans-6798.4165.7-560000108.8L322S320-L322 PolarHBondContact O-N 3.43Å
321T36Very low46Very low132 Ų132128 Ų12881%0.8170%0.695SS**  2412.3126.847.40000122.2C319C319-T321 PolarHBondContact O-N 2.88Å
322L33.3Very low45.2Very low151 Ų151126.4 Ų126.479%0.79169%0.685SS**  trans-92.9108170.6-65.4178.9000108.4S320 S324S320-L322 PolarHBondContact O-N 3.43Å; L322-S324 PolarHBondContact O-N 3.3Å
323L31.5Very low45.4Very low175 Ų175123.1 Ų123.192%0.91667%0.665SS**  trans-5488.1160.3-72.7101.4000108.6
324S34.9Very low46.1Very low82 Ų82116.4 Ų116.457%0.57365%0.648SS**  trans-90.8116165-177.10000107.6L322 H326L322-S324 PolarHBondContact O-N 3.3Å; S324-H326 PolarHBondContact O-N 2.88Å
325P35.3Very low47.2Very low115 Ų115116.3 Ų116.375%0.74764%0.637SS**  trans-76.973178.332.8-32.5000109.2
326H38Very low48.2Very low140 Ų140115.7 Ų115.765%0.64864%0.638SS**  trans-123.4106.6170-81.1-15.3000110.1S324 S328S324-H326 PolarHBondContact O-N 2.88Å; H326-S328 PolarHBondContact O-N 3.49Å
327P46.2Very low49.3Very low139 Ų139114.9 Ų114.990%0.90363%0.634SS**THydrogen-bonded Turntrans-73.923.7-175.329.9-33.9000114.1
328S48.2Very low50.2Low103 Ų103109.4 Ų109.472%0.7261%0.613SS**THydrogen-bonded Turntrans-108.8-3.5-16961.80000115.9H326 S330H326-S328 PolarHBondContact O-N 3.49Å; S328-S330 PolarHBondContact O-N 3.29Å
329R48.5Very low51.2Low219 Ų219105.8 Ų105.883%0.82660%0.602SS**SBendtrans-80117.7174.6-89.8-171.4177.3-164.60.6111.2
330S50.5Low52.2Low60 Ų60103.2 Ų103.242%0.4258%0.58SS.*  trans-57.6138176.779.10000111S328 Y332 S333S328-S330 PolarHBondContact O-N 3.29Å; S330-Y332 PolarHBondContact O-N 3.42Å; S330-S333 WeakPolarHBondContact O-CB 3.06Å; S330-S333 PolarHBondContact O-N 3.17Å; S330-S333 PolarHBondContact O-OG 3.38Å
331P54.6Low53.3Low100 Ų100103 Ų10365%0.64958%0.577SS**THydrogen-bonded Turntrans-61.1-12.1178.523.9-33.7000113.2S333P331-S333 VanDerWaalsContact C-N 3.28Å; P331-S333 PolarHBondContact O-N 3.03Å
332Y58Low54.2Low157 Ų157106.3 Ų106.362%0.61658%0.575SS**THydrogen-bonded Turntrans-82.4-0.6174.7-51.2-72000113.6S330 R356S330-Y332 PolarHBondContact O-N 3.42Å; Y332-R356 PolarHBondContact O-NE 3.45Å; Y332-R356 PolarHBondContact O-NH2 3.08Å
333S60.8Low54.9Low46 Ų46104.4 Ų104.432%0.32257%0.565SS.*SBendtrans-100.8-21.8-17966.60000114.1S330 P331S330-S333 WeakPolarHBondContact O-CB 3.06Å; S330-S333 PolarHBondContact O-N 3.17Å; S330-S333 PolarHBondContact O-OG 3.38Å; P331-S333 VanDerWaalsContact C-N 3.28Å; P331-S333 PolarHBondContact O-N 3.03Å
334C71.2Confident55.4Low64 Ų64101.1 Ų101.143%0.43256%0.555SS.*SBendtrans-94.8149.9-177.753.40000112.7
335Y76.1Confident55.7Low73 Ų73103 Ų10329%0.28656%0.555SS.*  trans-84.1133165.6-78.9-94.9000108.8L315 R356 D368 A370L315-Y335 HydrophobicContact CD1-CE2 3.77Å; L315-Y335 HydrophobicContact CD2-CD1 4.41Å; L315-Y335 HydrophobicContact CD2-CD2 3.77Å; L315-Y335 HydrophobicContact CD2-CE1 4.37Å; L315-Y335 HydrophobicContact CD2-CE2 3.72Å; L315-Y335 HydrophobicContact CD2-CG 4.12Å; L315-Y335 HydrophobicContact CG-CE2 4.28Å; Y335-R356 HydrophobicContact CD1-CB 3.78Å; Y335-R356 HydrophobicContact CD2-CB 4.19Å; Y335-R356 HydrophobicContact CE1-CB 3.81Å; Y335-R356 HydrophobicContact CE2-CB 4.2Å; Y335-R356 HydrophobicContact CG-CB 3.98Å; Y335-D368 HydrophobicContact CE1-CB 4.19Å; Y335-A370 HydrophobicContact CD1-CB 3.73Å; Y335-A370 HydrophobicContact CE1-CB 3.58Å
336T73.6Confident56.4Low85 Ų85103.8 Ų103.852%0.52156%0.558SS.*EExtended strand (participates in β ladder)trans-120.5142.4178.2-39.20000109.5A338 Y354 I355T336-A338 PolarHBondContact O-N 3.01Å; T336-Y354 WeakPolarHBondContact O-CA 3.39Å; T336-I355 PolarHBondContact N-O 3.44Å; T336-I355 PolarHBondContact O-N 3.31Å
337L75.7Confident57.2Low85 Ų85105.6 Ų105.645%0.44556%0.564SS.*EExtended strand (participates in β ladder)trans-61.3119172-16179.1000108.8Y351 Y354 L376L337-Y351 HydrophobicContact CD1-CE2 3.81Å; L337-Y351 WeakPolarHBondContact CD1-OH 3.34Å; L337-Y351 HydrophobicContact CG-CE2 3.95Å; L337-Y354 HydrophobicContact CB-CE1 4.46Å; L337-Y354 HydrophobicContact CD1-CE1 4.15Å; L337-Y354 HydrophobicContact CD1-CE2 4.24Å; L337-L376 HydrophobicContact CD1-CD2 3.84Å
338A66.9Low57.5Low31 Ų31104.5 Ų104.526%0.25655%0.547SS..EExtended strand (participates in β ladder)trans-141.3133.9-175.300000112.8T336 T352 G353 I355T336-A338 PolarHBondContact O-N 3.01Å; A338-T352 CarbonylContact O-C 3.57Å; A338-T352 PolarHBondContact O-N 3.39Å; A338-T352 PolarHBondContact O-OG1 3.3Å; A338-G353 PolarHBondContact N-O 2.88Å; A338-G353 VanDerWaalsContact N-O 3.15Å; A338-I355 HydrophobicContact CB-CB 4.07Å; A338-I355 HydrophobicContact CB-CD1 3.9Å; A338-I355 HydrophobicContact CB-CG1 4.04Å
339T65.4Low57.8Low80 Ų80105.2 Ų105.249%0.49154%0.541SS..EExtended strand (participates in β ladder)trans-99.3126.5169.717.60000109.1P341 Y351T339-P341 WeakPolarHBondContact O-CD 3.37Å; T339-Y351 HydrophobicContact CG2-CD2 4.03Å
340I58.8Low58.1Low49 Ų4997.4 Ų97.425%0.25152%0.518SS..EExtended strand (participates in β ladder)trans-97.8113.8169.4-58.2166.5000108.5R342 L343 T352 I355I340-R342 PolarHBondContact O-N 2.82Å; I340-L343 HydrophobicContact CB-CD1 4.06Å; I340-L343 HydrophobicContact CD1-CD1 4.06Å; I340-L343 HydrophobicContact CG2-CD1 3.4Å; I340-L343 HydrophobicContact CG2-CG 4.05Å; I340-T352 HydrophobicContact CB-CG2 4.11Å; I340-T352 HydrophobicContact CD1-CG2 4.11Å; I340-T352 HydrophobicContact CG1-CG2 4.23Å; I340-T352 WeakPolarHBondContact CG1-OG1 3.21Å; I340-T352 PolarHBondContact N-OG1 3.2Å; I340-I355 HydrophobicContact CD1-CD1 3.75Å; I340-I355 HydrophobicContact CG1-CD1 4.01Å
341P54.8Low58.6Low77 Ų7797.4 Ų97.450%0.551%0.51SS..EExtended strand (participates in β ladder)trans-65.6135175.6-14.327.4000111.2T339 L349T339-P341 WeakPolarHBondContact O-CD 3.37Å; P341-L349 HydrophobicContact CB-CD2 3.86Å; P341-L349 HydrophobicContact CG-CD2 3.84Å
342R56.5Low58.9Low202 Ų20293.9 Ų93.976%0.76249%0.486SS*.THydrogen-bonded Turntrans65.535.3156.9-54-178.4177.6169.3-0.2118.8I340I340-R342 PolarHBondContact O-N 2.82Å
343L47.6Very low59.5Low110 Ų11086.9 Ų86.958%0.57646%0.462SS*.SBendtrans-79.7-27.3175.8-94.5161.7000115I340I340-L343 HydrophobicContact CB-CD1 4.06Å; I340-L343 HydrophobicContact CD1-CD1 4.06Å; I340-L343 HydrophobicContact CG2-CD1 3.4Å; I340-L343 HydrophobicContact CG2-CG 4.05Å
344C41.9Very low60.4Low106 Ų10687.7 Ų87.772%0.71646%0.458SS*.SBendtrans-138.8-14.9-175.4-58.80000115.6
345H40.4Very low60.7Low121 Ų12185.4 Ų85.456%0.5644%0.441SS*.  trans-135.9125.5-179-67-51.9000111K347H345-K347 PolarHBondContact O-N 3.15Å; H345-K347 VanDerWaalsContact O-N 3.1Å
346T51.6Low60.8Low133 Ų13385 Ų8582%0.81644%0.44SS*.THydrogen-bonded Turntrans-68.6-6.8-173.150.60000114.3
347K54.4Low61Low177 Ų17787.2 Ų87.277%0.7744%0.438SS*.THydrogen-bonded Turntrans-122.7-6.1-172-62-171.4178-173.30115.4H345H345-K347 PolarHBondContact O-N 3.15Å; H345-K347 VanDerWaalsContact O-N 3.1Å
348H52.8Low61.1Low117 Ų11788.3 Ų88.354%0.54244%0.437SS..  trans-140.1139.9-173-59-65.3000113.5T350H348-T350 PolarHBondContact O-N 2.7Å
349L54Low61.4Low117 Ų11793.5 Ų93.561%0.61346%0.459SS*.EExtended strand (participates in β ladder)trans-65.1126.3160.4-76.2129.3000107.7P341P341-L349 HydrophobicContact CB-CD2 3.86Å; P341-L349 HydrophobicContact CG-CD2 3.84Å
350T55.4Low62Low56 Ų5690.7 Ų90.734%0.34445%0.446SS..EExtended strand (participates in β ladder)trans-102.3118.4176.1-21.50000107.3H348 T352H348-T350 PolarHBondContact O-N 2.7Å; T350-T352 PolarHBondContact O-N 3.38Å
351Y60.1Low62.5Low60 Ų6098.9 Ų98.924%0.23547%0.474CS..EExtended strand (participates in β ladder)trans-63.4131175.7172.7-99.3000110.7L337 T339 G353 A372 L380L337-Y351 HydrophobicContact CD1-CE2 3.81Å; L337-Y351 WeakPolarHBondContact CD1-OH 3.34Å; L337-Y351 HydrophobicContact CG-CE2 3.95Å; T339-Y351 HydrophobicContact CG2-CD2 4.03Å; Y351-G353 VanDerWaalsContact CE1-CA 3.43Å; Y351-G353 VanDerWaalsContact CZ-CA 3.41Å; Y351-G353 WeakPolarHBondContact OH-CA 3.19Å; Y351-A372 HydrophobicContact CE1-CB 4.08Å; Y351-L380 HydrophobicContact CD1-CD1 4.16Å; Y351-L380 HydrophobicContact CD2-CD1 3.9Å; Y351-L380 HydrophobicContact CE1-CD1 3.75Å; Y351-L380 HydrophobicContact CE2-CD1 3.51Å; Y351-L380 HydrophobicContact CG-CD1 4.22Å; Y351-L380 VanDerWaalsContact CZ-CD1 3.41Å
352T61.4Low63.1Low26 Ų2699 Ų9916%0.1649%0.489CS..EExtended strand (participates in β ladder)trans-121.946-173.7460000111.8A338 I340 T350 I355A338-T352 CarbonylContact O-C 3.57Å; A338-T352 PolarHBondContact O-N 3.39Å; A338-T352 PolarHBondContact O-OG1 3.3Å; I340-T352 HydrophobicContact CB-CG2 4.11Å; I340-T352 HydrophobicContact CD1-CG2 4.11Å; I340-T352 HydrophobicContact CG1-CG2 4.23Å; I340-T352 WeakPolarHBondContact CG1-OG1 3.21Å; I340-T352 PolarHBondContact N-OG1 3.2Å; T350-T352 PolarHBondContact O-N 3.38Å; T352-I355 VanDerWaalsContact O-CG1 3.27Å; T352-I355 WeakPolarHBondContact O-CG1 3.43Å
353G71.3Confident64Low10 Ų1091.4 Ų91.410%0.10347%0.474CS..EExtended strand (participates in β ladder)trans57.5-158166.700000115.2A338 Y351A338-G353 PolarHBondContact N-O 2.88Å; A338-G353 VanDerWaalsContact N-O 3.15Å; Y351-G353 VanDerWaalsContact CE1-CA 3.43Å; Y351-G353 VanDerWaalsContact CZ-CA 3.41Å; Y351-G353 WeakPolarHBondContact OH-CA 3.19Å
354Y78Confident65.2Low63 Ų6395.7 Ų95.725%0.24748%0.482CS..EExtended strand (participates in β ladder)trans-83.2127.9168.9-78.6-81.5000109.2T336 L337 A370 A372 L376T336-Y354 WeakPolarHBondContact O-CA 3.39Å; L337-Y354 HydrophobicContact CB-CE1 4.46Å; L337-Y354 HydrophobicContact CD1-CE1 4.15Å; L337-Y354 HydrophobicContact CD1-CE2 4.24Å; Y354-A370 PolarHBondContact N-O 3.27Å; Y354-A370 PolarHBondContact O-N 3.23Å; Y354-A372 HydrophobicContact CD2-CB 4.45Å; Y354-A372 HydrophobicContact CE2-CB 4.42Å; Y354-L376 HydrophobicContact CE2-CD2 3.86Å; Y354-L376 WeakPolarHBondContact OH-CD2 3.32Å
355I78.3Confident66.8Low15 Ų1595.3 Ų95.38%0.07747%0.472CS..EExtended strand (participates in β ladder)trans-119.5137.3178.6-57.5-176000109.9T336 A338 I340 T352 C367 D368T336-I355 PolarHBondContact N-O 3.44Å; T336-I355 PolarHBondContact O-N 3.31Å; A338-I355 HydrophobicContact CB-CB 4.07Å; A338-I355 HydrophobicContact CB-CD1 3.9Å; A338-I355 HydrophobicContact CB-CG1 4.04Å; I340-I355 HydrophobicContact CD1-CD1 3.75Å; I340-I355 HydrophobicContact CG1-CD1 4.01Å; T352-I355 VanDerWaalsContact O-CG1 3.27Å; T352-I355 WeakPolarHBondContact O-CG1 3.43Å; I355-C367 HydrophobicContact CG2-CB 3.9Å; I355-D368 WeakPolarHBondContact CA-O 3.49Å
356R78.8Confident68.6Low65 Ų6592.4 Ų92.425%0.24546%0.463CS..EExtended strand (participates in β ladder)trans-116.6131.3166.5176.4-175.9173.9-137.91.8109.6Y332 Y335 C367 D368Y332-R356 PolarHBondContact O-NE 3.45Å; Y332-R356 PolarHBondContact O-NH2 3.08Å; Y335-R356 HydrophobicContact CD1-CB 3.78Å; Y335-R356 HydrophobicContact CD2-CB 4.19Å; Y335-R356 HydrophobicContact CE1-CB 3.81Å; Y335-R356 HydrophobicContact CE2-CB 4.2Å; Y335-R356 HydrophobicContact CG-CB 3.98Å; R356-C367 CarbonylContact O-C 3.58Å; R356-C367 WeakPolarHBondContact O-CA 3.4Å; R356-D368 HydrophobicContact CB-CB 4.3Å; R356-D368 PolarHBondContact N-O 3.39Å; R356-D368 IonicContact NH1-OD2 2.85Å; R356-D368 PolarHBondContact O-N 3.01Å
357R76.9Confident70Confident131 Ų13189.1 Ų89.149%0.49445%0.445SS..EExtended strand (participates in β ladder)trans-94.4128.5176-67.217470.1-173.73.4110.3
358R77.4Confident71.2Confident109 Ų10982.1 Ų82.141%0.41142%0.416SS..EExtended strand (participates in β ladder)trans-124152.8171.8-70.5-167.1-76.3153.60.7111I365 V366 D368R358-I365 CarbonylContact O-C 3.39Å; R358-I365 WeakPolarHBondContact O-CA 3.44Å; R358-V366 HydrophobicContact CB-CB 4.47Å; R358-V366 PolarHBondContact N-O 2.59Å; R358-V366 PolarHBondContact O-N 3.41Å; R358-D368 IonicContact CZ-OD1 3.81Å; R358-D368 IonicContact CZ-OD2 3.52Å; R358-D368 IonicContact NE-OD1 3.02Å; R358-D368 PolarHBondContact NE-OD1 2.83Å; R358-D368 IonicContact NE-OD2 3.48Å; R358-D368 PolarHBondContact NE-OD2 3Å; R358-D368 IonicContact NH2-OD1 3.52Å; R358-D368 PolarHBondContact NH2-OD1 2.64Å; R358-D368 IonicContact NH2-OD2 2.72Å; R358-D368 PolarHBondContact NH2-OD2 3.42Å
359L74.7Confident72.5Confident139 Ų13984.6 Ų84.673%0.72842%0.42SS*.EExtended strand (participates in β ladder)trans-94.3114.2169.5-158117.8000108.5
360G76.1Confident73.4Confident21 Ų2179.9 Ų79.922%0.21640%0.398CS..  trans-78.4162.1176.500000112.4G362 G363 R364G360-G362 PolarHBondContact O-N 3.28Å; G360-G363 PolarHBondContact O-N 2.86Å; G360-G363 VanDerWaalsContact O-N 3.13Å; G360-R364 PolarHBondContact N-O 3.41Å
361R69.7Low74.2Confident221 Ų22181.8 Ų81.883%0.83442%0.419SS*.THydrogen-bonded Turntrans-56.5128169.1-74.5-176.2170.4-172.8-4.1108.8
362G68.5Low74.7Confident80 Ų8079.9 Ų79.983%0.82542%0.417SS*.THydrogen-bonded Turntrans93.811.3-173.600000115.7G360 R364G360-G362 PolarHBondContact O-N 3.28Å; G362-R364 VanDerWaalsContact C-N 3.25Å; G362-R364 PolarHBondContact O-N 3.34Å
363G74.4Confident75.3Confident43 Ų4380.2 Ų80.244%0.44342%0.419SS..SBendtrans77.9317300000115.2G360G360-G363 PolarHBondContact O-N 2.86Å; G360-G363 VanDerWaalsContact O-N 3.13Å
364R73.6Confident75.5Confident199 Ų19985.5 Ų85.575%0.75145%0.449SS*.PPolyproline II helixtrans-71.6137.6175.5-63.7178.8-178.2163.90.3110.1G360 G362G360-R364 PolarHBondContact N-O 3.41Å; G362-R364 VanDerWaalsContact C-N 3.25Å; G362-R364 PolarHBondContact O-N 3.34Å
365I76.2Confident75.4Confident99 Ų9987.3 Ų87.351%0.50847%0.469SS..EExtended strand (participates in β ladder)trans-85.2120.9172.3-59.4175.4000108.1R358R358-I365 CarbonylContact O-C 3.39Å; R358-I365 WeakPolarHBondContact O-CA 3.44Å
366V78.2Confident75.2Confident60 Ų6088.8 Ų88.836%0.36448%0.477SS..EExtended strand (participates in β ladder)trans-100.8129.3176.2-176.80000108.3R358R358-V366 HydrophobicContact CB-CB 4.47Å; R358-V366 PolarHBondContact N-O 2.59Å; R358-V366 PolarHBondContact O-N 3.41Å
367C80.7Confident74.8Confident64 Ų6487.6 Ų87.643%0.43248%0.478SS..EExtended strand (participates in β ladder)trans-107109.5175.7-65.40000109.5I355 R356I355-C367 HydrophobicContact CG2-CB 3.9Å; R356-C367 CarbonylContact O-C 3.58Å; R356-C367 WeakPolarHBondContact O-CA 3.4Å
368D79.1Confident74.8Confident29 Ų2983.8 Ų83.816%0.15548%0.475CS..EExtended strand (participates in β ladder)trans-80.3127.6172.5-55.3-38.4000108.8Y335 I355 R356 R358Y335-D368 HydrophobicContact CE1-CB 4.19Å; I355-D368 WeakPolarHBondContact CA-O 3.49Å; R356-D368 HydrophobicContact CB-CB 4.3Å; R356-D368 PolarHBondContact N-O 3.39Å; R356-D368 IonicContact NH1-OD2 2.85Å; R356-D368 PolarHBondContact O-N 3.01Å; R358-D368 IonicContact CZ-OD1 3.81Å; R358-D368 IonicContact CZ-OD2 3.52Å; R358-D368 IonicContact NE-OD1 3.02Å; R358-D368 PolarHBondContact NE-OD1 2.83Å; R358-D368 IonicContact NE-OD2 3.48Å; R358-D368 PolarHBondContact NE-OD2 3Å; R358-D368 IonicContact NH2-OD1 3.52Å; R358-D368 PolarHBondContact NH2-OD1 2.64Å; R358-D368 IonicContact NH2-OD2 2.72Å; R358-D368 PolarHBondContact NH2-OD2 3.42Å
369R78.8Confident74.7Confident169 Ų16985.3 Ų85.364%0.63848%0.482SS*.EExtended strand (participates in β ladder)trans-101.1132.8177.8-62.6-179.9-180-179-0.9109.6
370A73.7Confident74.4Confident18 Ų1880.1 Ų80.115%0.14945%0.454CS..EExtended strand (participates in β ladder)trans-119.1135.3168.500000109.1L315 Y335 Y354L315-A370 HydrophobicContact CD2-CB 3.85Å; Y335-A370 HydrophobicContact CD1-CB 3.73Å; Y335-A370 HydrophobicContact CE1-CB 3.58Å; Y354-A370 PolarHBondContact N-O 3.27Å; Y354-A370 PolarHBondContact O-N 3.23Å
371A71.6Confident74.2Confident96 Ų9685.2 Ų85.279%0.79347%0.473SS*.PPolyproline II helixtrans-62.4139.817600000109.8
372A70.4Confident74.5Confident21 Ų2177.3 Ų77.317%0.17445%0.451CS..PPolyproline II helixtrans-69.4145.7171.500000109.8Y351 Y354 T374 L376Y351-A372 HydrophobicContact CE1-CB 4.08Å; Y354-A372 HydrophobicContact CD2-CB 4.45Å; Y354-A372 HydrophobicContact CE2-CB 4.42Å; A372-T374 PolarHBondContact O-N 2.99Å; A372-L376 HydrophobicContact CB-CD2 4.27Å
373P75.3Confident74.6Confident33 Ų3379.3 Ų79.321%0.21444%0.435CS..PPolyproline II helixtrans-54.7140.4170.1-22.733.3000110.4L316 P375 L376 S377L316-P373 HydrophobicContact CD1-CG 3.73Å; L316-P373 HydrophobicContact CD2-CB 3.95Å; L316-P373 HydrophobicContact CD2-CG 3.4Å; L316-P373 HydrophobicContact CG-CG 4.21Å; P373-P375 VanDerWaalsContact C-CD 3.41Å; P373-P375 VanDerWaalsContact C-N 3.32Å; P373-P375 HydrophobicContact CB-CG 4.3Å; P373-P375 VanDerWaalsContact O-N 3.17Å; P373-L376 WeakPolarHBondContact O-CB 3.46Å; P373-L376 PolarHBondContact O-N 2.92Å; P373-S377 PolarHBondContact O-N 3.31Å
374T74.7Confident74.2Confident120 Ų12080.5 Ų80.574%0.73643%0.431SS*.Hα-helixtrans-44.8-45.5179.9-42.20000114.5A372 L376 S377 A378A372-T374 PolarHBondContact O-N 2.99Å; T374-L376 PolarHBondContact O-N 3.39Å; T374-S377 PolarHBondContact O-N 3.4Å; T374-A378 WeakPolarHBondContact O-CB 3.24Å; T374-A378 PolarHBondContact O-N 2.88Å
375P76.8Confident74.2Confident102 Ų10273.5 Ų73.566%0.66242%0.415SS*.Hα-helixtrans-64.3-38.3178.621.8-32.4000113.4P373 A378 Y379P373-P375 VanDerWaalsContact C-CD 3.41Å; P373-P375 VanDerWaalsContact C-N 3.32Å; P373-P375 HydrophobicContact CB-CG 4.3Å; P373-P375 VanDerWaalsContact O-N 3.17Å; P375-A378 PolarHBondContact O-N 3.47Å; P375-Y379 WeakPolarHBondContact O-CB 3.46Å; P375-Y379 PolarHBondContact O-N 2.9Å
376L73Confident74Confident46 Ų4673.5 Ų73.524%0.24142%0.417CS..Hα-helixtrans-69.2-40.4175.9-176.565.9000110.9L337 Y354 A372 P373 T374 A378 Y379 L380L337-L376 HydrophobicContact CD1-CD2 3.84Å; Y354-L376 HydrophobicContact CE2-CD2 3.86Å; Y354-L376 WeakPolarHBondContact OH-CD2 3.32Å; A372-L376 HydrophobicContact CB-CD2 4.27Å; P373-L376 WeakPolarHBondContact O-CB 3.46Å; P373-L376 PolarHBondContact O-N 2.92Å; T374-L376 PolarHBondContact O-N 3.39Å; L376-A378 VanDerWaalsContact C-N 3.32Å; L376-A378 PolarHBondContact O-N 3.41Å; L376-Y379 PolarHBondContact O-N 3.25Å; L376-L380 HydrophobicContact CD1-CD1 4.39Å; L376-L380 HydrophobicContact CD1-CG 4.39Å; L376-L380 HydrophobicContact CG-CD1 4.06Å; L376-L380 HydrophobicContact CG-CG 4.45Å; L376-L380 WeakPolarHBondContact O-CB 3.46Å; L376-L380 VanDerWaalsContact O-CG 3.28Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.03Å
377S71.2Confident73.2Confident39 Ų3974.9 Ų74.927%0.27342%0.421SS..Hα-helixtrans-60.8-41.7175-174.30000111.8P373 T374 Q381P373-S377 PolarHBondContact O-N 3.31Å; T374-S377 PolarHBondContact O-N 3.4Å; S377-Q381 WeakPolarHBondContact O-CB 3.44Å; S377-Q381 VanDerWaalsContact O-CG 3.29Å; S377-Q381 WeakPolarHBondContact O-CG 3.37Å; S377-Q381 PolarHBondContact O-N 2.8Å
378A75.9Confident72.2Confident52 Ų5279.3 Ų79.343%0.4343%0.434SS..Hα-helixtrans-66.3-42.9177.200000111.8T374 P375 L376 Q381 S382T374-A378 WeakPolarHBondContact O-CB 3.24Å; T374-A378 PolarHBondContact O-N 2.88Å; P375-A378 PolarHBondContact O-N 3.47Å; L376-A378 VanDerWaalsContact C-N 3.32Å; L376-A378 PolarHBondContact O-N 3.41Å; A378-Q381 PolarHBondContact O-N 3.25Å; A378-S382 PolarHBondContact O-N 3.07Å
379Y76.4Confident71.3Confident140 Ų14082.4 Ų82.455%0.54946%0.457SS..Hα-helixtrans-61-43.7174.9174.2-95.3000112.5P375 L376 S382 Y383P375-Y379 WeakPolarHBondContact O-CB 3.46Å; P375-Y379 PolarHBondContact O-N 2.9Å; L376-Y379 PolarHBondContact O-N 3.25Å; Y379-S382 PolarHBondContact O-N 2.99Å; Y379-S382 PolarHBondContact O-OG 2.95Å; Y379-Y383 WeakPolarHBondContact O-CB 3.24Å; Y379-Y383 PolarHBondContact O-N 3.21Å
380L68.8Low69.8Low30 Ų3077 Ų7716%0.15745%0.445CS..Hα-helixtrans-69.8-36.2179.2-67.7173.2000111.8Y351 L376 Y383 D384Y351-L380 HydrophobicContact CD1-CD1 4.16Å; Y351-L380 HydrophobicContact CD2-CD1 3.9Å; Y351-L380 HydrophobicContact CE1-CD1 3.75Å; Y351-L380 HydrophobicContact CE2-CD1 3.51Å; Y351-L380 HydrophobicContact CG-CD1 4.22Å; Y351-L380 VanDerWaalsContact CZ-CD1 3.41Å; L376-L380 HydrophobicContact CD1-CD1 4.39Å; L376-L380 HydrophobicContact CD1-CG 4.39Å; L376-L380 HydrophobicContact CG-CD1 4.06Å; L376-L380 HydrophobicContact CG-CG 4.45Å; L376-L380 WeakPolarHBondContact O-CB 3.46Å; L376-L380 VanDerWaalsContact O-CG 3.28Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.03Å; L380-Y383 PolarHBondContact O-N 3.37Å; L380-D384 WeakPolarHBondContact O-CB 3.46Å; L380-D384 PolarHBondContact O-N 2.93Å
381Q71.5Confident68.1Low129 Ų12980.1 Ų80.160%0.60348%0.48SS*.Hα-helixtrans-64.1-39.1173.2-77.5174.910.800112.3S377 A378 A385S377-Q381 WeakPolarHBondContact O-CB 3.44Å; S377-Q381 VanDerWaalsContact O-CG 3.29Å; S377-Q381 WeakPolarHBondContact O-CG 3.37Å; S377-Q381 PolarHBondContact O-N 2.8Å; A378-Q381 PolarHBondContact O-N 3.25Å; Q381-A385 WeakPolarHBondContact O-CB 3.44Å; Q381-A385 PolarHBondContact O-N 3.04Å
382S76.3Confident66.5Low55 Ų5581 Ų8139%0.38548%0.48SS..Hα-helixtrans-70.1-36.8174.868.80000111.8A378 Y379 A385 N386A378-S382 PolarHBondContact O-N 3.07Å; Y379-S382 PolarHBondContact O-N 2.99Å; Y379-S382 PolarHBondContact O-OG 2.95Å; S382-A385 PolarHBondContact O-N 2.99Å; S382-N386 WeakPolarHBondContact O-CB 3.32Å; S382-N386 PolarHBondContact O-N 3.41Å; S382-N386 PolarHBondContact O-ND2 3.49Å
383Y70.8Confident65Low122 Ų12283.4 Ų83.448%0.47850%0.499SS..Hα-helixtrans-61.6-46.6172.8-173.3-97.4000112.1Y379 L380 A385 N386 L387Y379-Y383 WeakPolarHBondContact O-CB 3.24Å; Y379-Y383 PolarHBondContact O-N 3.21Å; L380-Y383 PolarHBondContact O-N 3.37Å; Y383-A385 VanDerWaalsContact C-N 3.31Å; Y383-A385 PolarHBondContact O-N 3.3Å; Y383-N386 PolarHBondContact O-N 3.21Å; Y383-L387 HydrophobicContact CD1-CD1 3.71Å; Y383-L387 HydrophobicContact CE1-CD1 3.41Å; Y383-L387 VanDerWaalsContact CE1-CD1 3.41Å; Y383-L387 HydrophobicContact CE1-CG 4.35Å; Y383-L387 PolarHBondContact O-N 3.32Å
384D66Low63.3Low68 Ų6885.9 Ų85.936%0.36452%0.518SS..Hα-helixtrans-64.6-33.7175.1-78.3-15.2000112.2L380 K388L380-D384 WeakPolarHBondContact O-CB 3.46Å; L380-D384 PolarHBondContact O-N 2.93Å; D384-K388 WeakPolarHBondContact O-CG 3.28Å; D384-K388 PolarHBondContact O-N 3.37Å
385A72.7Confident61.7Low51 Ų5186.1 Ų86.142%0.42152%0.521SS..Hα-helixtrans-69-40.6173.900000111.7Q381 S382 Y383 L387 K388 S389Q381-A385 WeakPolarHBondContact O-CB 3.44Å; Q381-A385 PolarHBondContact O-N 3.04Å; S382-A385 PolarHBondContact O-N 2.99Å; Y383-A385 VanDerWaalsContact C-N 3.31Å; Y383-A385 PolarHBondContact O-N 3.3Å; A385-L387 PolarHBondContact O-N 3.15Å; A385-K388 WeakPolarHBondContact O-CB 3.29Å; A385-K388 PolarHBondContact O-N 3.31Å; A385-K388 VanDerWaalsContact O-N 3.08Å; A385-S389 PolarHBondContact O-N 2.83Å; A385-S389 PolarHBondContact O-OG 3.49Å
386N71.3Confident59.8Low99 Ų9985 Ų8553%0.52952%0.516SS..Hα-helixtrans-64.4-40.6177.8-71.6-17.8000111.8S382 Y383 K388 S389 S390S382-N386 WeakPolarHBondContact O-CB 3.32Å; S382-N386 PolarHBondContact O-N 3.41Å; S382-N386 PolarHBondContact O-ND2 3.49Å; Y383-N386 PolarHBondContact O-N 3.21Å; N386-K388 PolarHBondContact O-N 2.77Å; N386-S389 WeakPolarHBondContact CA-OG 3.36Å; N386-S389 PolarHBondContact O-N 2.83Å; N386-S389 VanDerWaalsContact O-N 3.17Å; N386-S389 PolarHBondContact O-OG 3.13Å; N386-S390 PolarHBondContact O-N 3.38Å; N386-S390 PolarHBondContact O-OG 3.38Å
387L62.1Low58Low89 Ų8990.9 Ų90.947%0.46655%0.547SS..Hα-helixtrans-60.5-31.6172-82.9160.9000113Y383 A385Y383-L387 HydrophobicContact CD1-CD1 3.71Å; Y383-L387 HydrophobicContact CE1-CD1 3.41Å; Y383-L387 VanDerWaalsContact CE1-CD1 3.41Å; Y383-L387 HydrophobicContact CE1-CG 4.35Å; Y383-L387 PolarHBondContact O-N 3.32Å; A385-L387 PolarHBondContact O-N 3.15Å
388K59.4Low56.5Low158 Ų15896.2 Ų96.269%0.68757%0.571SS**Hα-helixtrans-76.7-31.2175.6-70.2169.4-173.8174.80112.7D384 A385 N386D384-K388 WeakPolarHBondContact O-CG 3.28Å; D384-K388 PolarHBondContact O-N 3.37Å; A385-K388 WeakPolarHBondContact O-CB 3.29Å; A385-K388 PolarHBondContact O-N 3.31Å; A385-K388 VanDerWaalsContact O-N 3.08Å; N386-K388 PolarHBondContact O-N 2.77Å
389S60.1Low54.4Low93 Ų9398.8 Ų98.865%0.6558%0.583SS**Hα-helixtrans-80.8-26.4178.455.80000113.8A385 N386 G391A385-S389 PolarHBondContact O-N 2.83Å; A385-S389 PolarHBondContact O-OG 3.49Å; N386-S389 WeakPolarHBondContact CA-OG 3.36Å; N386-S389 PolarHBondContact O-N 2.83Å; N386-S389 VanDerWaalsContact O-N 3.17Å; N386-S389 PolarHBondContact O-OG 3.13Å; S389-G391 PolarHBondContact O-N 3.11Å; S389-G391 VanDerWaalsContact O-N 3.12Å
390S48.3Very low52.3Low56 Ų5697.6 Ų97.639%0.39260%0.595SS.*  trans-83.780.3171.965.90000110.1N386 S392N386-S390 PolarHBondContact O-N 3.38Å; N386-S390 PolarHBondContact O-OG 3.38Å; S390-S392 PolarHBondContact O-N 3.23Å
391G38Very low50.5Low84 Ų84102.8 Ų102.887%0.86662%0.623SS**  trans-64.924.1177.900000116.2S389S389-G391 PolarHBondContact O-N 3.11Å; S389-G391 VanDerWaalsContact O-N 3.12Å
392S38.1Very low48.4Very low114 Ų114104.6 Ų104.680%0.79763%0.629SS**  trans-152.669177.370.50000110.8S390S390-S392 PolarHBondContact O-N 3.23Å
393A38.5Very low46.2Very low71 Ų71107.8 Ų107.859%0.58765%0.65SS**  trans-136.8110.816800000109.2
394S39.2Very low44.5Very low86 Ų86111.7 Ų111.760%0.60166%0.664SS**  trans-48.9143.8169.443.30000111.1S396S394-S396 PolarHBondContact O-N 2.95Å; S394-S396 PolarHBondContact OG-OG 3.23Å
395P41.1Very low42.9Very low125 Ų125119.6 Ų119.681%0.81269%0.689SS**SBendtrans-76.758.5172.534.2-33.1000109.5
396S38.1Very low41.1Very low78 Ų78123.7 Ų123.755%0.54570%0.699SS.*  trans-120.555.1-176.462.10000110S394S394-S396 PolarHBondContact O-N 2.95Å; S394-S396 PolarHBondContact OG-OG 3.23Å
397L34.8Very low39.4Very low170 Ų170122.2 Ų122.289%0.8970%0.697SS**  trans-163.168166.8-93.7136000108.3
398I38.3Very low38.7Very low151 Ų151123.8 Ų123.877%0.77470%0.701SS**  trans-98.8114.9160-60.1177.1000105.8S400I398-S400 PolarHBondContact O-N 3Å; I398-S400 VanDerWaalsContact O-N 3.11Å
399P32.3Very low38.1Very low105 Ų105121.1 Ų121.168%0.68270%0.699SS**  trans-59117.8171.8-18.330000108.9N401P399-N401 PolarHBondContact O-N 3.49Å
400S33.3Very low37.6Very low115 Ų115120.6 Ų120.680%0.80469%0.685SS**  trans-67.819.5-179.550.80000114.6I398 F402I398-S400 PolarHBondContact O-N 3Å; I398-S400 VanDerWaalsContact O-N 3.11Å; S400-F402 PolarHBondContact O-N 3.48Å
401N29.9Very low37.8Very low139 Ų139122.8 Ų122.874%0.74369%0.692SS**  trans-96.563.2-176.9-67.8-24.8000111.4P399P399-N401 PolarHBondContact O-N 3.49Å
402F28.7Very low38.6Very low167 Ų167122.1 Ų122.173%0.73267%0.671SS**  trans-12689.2156.7-107.1-88.3000108.5S400 W404S400-F402 PolarHBondContact O-N 3.48Å; F402-W404 VanDerWaalsContact C-N 3.32Å; F402-W404 PolarHBondContact O-N 2.78Å
403C29.7Very low39.4Very low122 Ų122119.2 Ų119.282%0.82465%0.654SS**  trans-61.191.6171.1-178.80000109.4R405C403-R405 PolarHBondContact O-N 3.27Å
404W34.5Very low40.2Very low205 Ų205120.7 Ų120.778%0.77765%0.651SS**  trans-76.599.7159.4-73.294.6000107.1F402 Q406F402-W404 VanDerWaalsContact C-N 3.32Å; F402-W404 PolarHBondContact O-N 2.78Å; W404-Q406 PolarHBondContact O-N 3.29Å
405R32Very low40.8Very low233 Ų233117.3 Ų117.388%0.87963%0.626SS**  trans-62103.1166.6-137.5-161.7-69.5-130.33107.3C403 S407C403-R405 PolarHBondContact O-N 3.27Å; R405-S407 PolarHBondContact O-N 3.44Å
406Q36Very low41.7Very low138 Ų138115.1 Ų115.165%0.64561%0.608SS**  trans-68.6113.7-179.2-85.2169.2-16.700110.7W404 Q408W404-Q406 PolarHBondContact O-N 3.29Å; Q406-Q408 HydrophobicContact CB-CB 4.32Å; Q406-Q408 HydrophobicContact CB-CG 3.92Å; Q406-Q408 HydrophobicContact CG-CG 4.12Å; Q406-Q408 VanDerWaalsContact NE2-NE2 3.15Å; Q406-Q408 PolarHBondContact O-N 2.99Å
407S34.9Very low42.8Very low68 Ų68120.1 Ų120.148%0.47662%0.615SS.*  trans-85.362.8157.849.40000109R405 T409R405-S407 PolarHBondContact O-N 3.44Å; S407-T409 PolarHBondContact O-N 3.45Å; S407-T409 VanDerWaalsContact O-N 3.14Å
408Q46.9Very low43.7Very low121 Ų121114 Ų11457%0.56558%0.583SS**THydrogen-bonded Turntrans-64.8-17.6-166.7-110178.810.500115Q406 V412Q406-Q408 HydrophobicContact CB-CB 4.32Å; Q406-Q408 HydrophobicContact CB-CG 3.92Å; Q406-Q408 HydrophobicContact CG-CG 4.12Å; Q406-Q408 VanDerWaalsContact NE2-NE2 3.15Å; Q406-Q408 PolarHBondContact O-N 2.99Å; Q408-V412 WeakPolarHBondContact O-CG2 3.32Å
409T48.1Very low44.5Very low103 Ų103108.7 Ų108.763%0.63255%0.554SS**THydrogen-bonded Turntrans-92.8-29.1-174.955.50000114S407S407-T409 PolarHBondContact O-N 3.45Å; S407-T409 VanDerWaalsContact O-N 3.14Å
410K48.6Very low45.6Very low82 Ų82108 Ų10836%0.35755%0.548SS..Hα-helixtrans-82.7-35.4-170.7-65-176.1178.6-177.20112.8S51 L414S51-K410 PolarHBondContact O-NZ 3.15Å; S51-K410 WeakPolarHBondContact OG-CE 3.49Å; K410-L414 WeakPolarHBondContact O-CB 3.22Å; K410-L414 PolarHBondContact O-N 3.1Å
411D53.6Low46.5Very low102 Ų102105.1 Ų105.155%0.54553%0.528SS..Hα-helixtrans-78.3-31.6-176.8-64.5-32.1000112.1L415D411-L415 WeakPolarHBondContact O-CB 3.19Å; D411-L415 PolarHBondContact O-N 2.99Å
412V53.8Low47.3Very low69 Ų69100.4 Ų100.442%0.41850%0.502SS..Hα-helixtrans-71-46.5179.8179.70000111.5Q408 L414 L415 N416Q408-V412 WeakPolarHBondContact O-CG2 3.32Å; V412-L414 VanDerWaalsContact C-N 3.34Å; V412-L414 PolarHBondContact O-N 3.29Å; V412-L415 PolarHBondContact O-N 3.23Å; V412-N416 WeakPolarHBondContact O-CB 3.36Å; V412-N416 PolarHBondContact O-N 3.29Å
413A55.5Low48Very low53 Ų5399.1 Ų99.144%0.43850%0.497SS..Hα-helixtrans-63.9-40178.200000112.1R417A413-R417 WeakPolarHBondContact O-CB 3.25Å; A413-R417 WeakPolarHBondContact O-CG 3.44Å; A413-R417 PolarHBondContact O-N 2.87Å
414L54.5Low48.9Very low102 Ų10296.1 Ų96.153%0.53448%0.477SS..Hα-helixtrans-67.3-42.1175.3-166.4157000110.9K410 V412 R417 L418K410-L414 WeakPolarHBondContact O-CB 3.22Å; K410-L414 PolarHBondContact O-N 3.1Å; V412-L414 VanDerWaalsContact C-N 3.34Å; V412-L414 PolarHBondContact O-N 3.29Å; L414-R417 PolarHBondContact O-N 2.97Å; L414-L418 HydrophobicContact CD2-CD1 3.38Å; L414-L418 HydrophobicContact CD2-CG 3.88Å; L414-L418 WeakPolarHBondContact O-CG 3.33Å; L414-L418 PolarHBondContact O-N 3.29Å
415L53.1Low49.2Very low15 Ų1589.9 Ų89.98%0.07947%0.465CS..Hα-helixtrans-62.6-43.3176.4-176.760.1000111.8V206 E209 D411 V412 L418 K419V206-L415 HydrophobicContact CG1-CD1 4.24Å; E209-L415 HydrophobicContact CB-CD1 3.66Å; E209-L415 HydrophobicContact CB-CD2 4.02Å; E209-L415 HydrophobicContact CB-CG 4.42Å; D411-L415 WeakPolarHBondContact O-CB 3.19Å; D411-L415 PolarHBondContact O-N 2.99Å; V412-L415 PolarHBondContact O-N 3.23Å; L415-L418 PolarHBondContact O-N 2.68Å; L415-K419 HydrophobicContact CD1-CG 4.33Å; L415-K419 HydrophobicContact CG-CD 4.11Å; L415-K419 HydrophobicContact CG-CG 4.36Å; L415-K419 WeakPolarHBondContact O-CB 3.48Å; L415-K419 WeakPolarHBondContact O-CG 3.38Å; L415-K419 PolarHBondContact O-N 3.3Å
416N60.2Low49.5Very low79 Ų7987.4 Ų87.442%0.42246%0.463SS..Hα-helixtrans-62.9-42.6176.4-72.2-12000111.6V412 L418 K419 T420V412-N416 WeakPolarHBondContact O-CB 3.36Å; V412-N416 PolarHBondContact O-N 3.29Å; N416-L418 PolarHBondContact O-N 2.96Å; N416-K419 PolarHBondContact O-N 3.42Å; N416-T420 PolarHBondContact O-N 3.41Å
417R59.8Low49.6Very low184 Ų18490.9 Ų90.969%0.69447%0.47SS*.Hα-helixtrans-63-37.6174.3-76.5177.4166.3178.5-2.9113.6A413 L414 T420A413-R417 WeakPolarHBondContact O-CB 3.25Å; A413-R417 WeakPolarHBondContact O-CG 3.44Å; A413-R417 PolarHBondContact O-N 2.87Å; L414-R417 PolarHBondContact O-N 2.97Å; R417-T420 PolarHBondContact O-OG1 3.18Å; R417-T420 VanDerWaalsContact O-OG1 3.04Å
418L54.9Low49.7Very low41 Ų4191 Ų9122%0.21548%0.482CS..Hα-helixtrans-78.5-31.8178-71.2-176.8000112.7L202 V206 L414 L415 N416 I422L202-L418 HydrophobicContact CD1-CD1 3.75Å; L202-L418 HydrophobicContact CD1-CD2 4Å; L202-L418 HydrophobicContact CD2-CD2 3.91Å; L202-L418 HydrophobicContact CG-CD1 4.49Å; L202-L418 HydrophobicContact CG-CD2 4.22Å; V206-L418 HydrophobicContact CG2-CB 3.51Å; V206-L418 HydrophobicContact CG2-CD1 4.02Å; V206-L418 HydrophobicContact CG2-CG 4.42Å; L414-L418 HydrophobicContact CD2-CD1 3.38Å; L414-L418 HydrophobicContact CD2-CG 3.88Å; L414-L418 WeakPolarHBondContact O-CG 3.33Å; L414-L418 PolarHBondContact O-N 3.29Å; L415-L418 PolarHBondContact O-N 2.68Å; N416-L418 PolarHBondContact O-N 2.96Å; L418-I422 WeakPolarHBondContact O-CB 3.33Å; L418-I422 VanDerWaalsContact O-CG1 3.3Å; L418-I422 WeakPolarHBondContact O-CG1 3.42Å; L418-I422 PolarHBondContact O-N 3.34Å
419K54.5Low49Very low40 Ų4096.8 Ų96.817%0.17450%0.499CS..Hα-helixtrans-58.4-49.3175.4-80.5170.7175.4169.20109.8V206 E213 L415 N416 F423V206-K419 HydrophobicContact CG1-CG 4.06Å; E213-K419 IonicContact OE1-NZ 2.68Å; E213-K419 IonicContact OE2-NZ 3.8Å; E213-K419 PolarHBondContact OE2-NZ 3.06Å; L415-K419 HydrophobicContact CD1-CG 4.33Å; L415-K419 HydrophobicContact CG-CD 4.11Å; L415-K419 HydrophobicContact CG-CG 4.36Å; L415-K419 WeakPolarHBondContact O-CB 3.48Å; L415-K419 WeakPolarHBondContact O-CG 3.38Å; L415-K419 PolarHBondContact O-N 3.3Å; N416-K419 PolarHBondContact O-N 3.42Å; K419-F423 HydrophobicContact CB-CD2 4.13Å; K419-F423 HydrophobicContact CB-CE2 4.27Å; K419-F423 HydrophobicContact CG-CD2 4.49Å; K419-F423 HydrophobicContact CG-CE2 4.12Å; K419-F423 WeakPolarHBondContact O-CB 3.26Å; K419-F423 WeakPolarHBondContact O-CD2 3.26Å; K419-F423 PolarHBondContact O-N 3.29Å
420T55.1Low48.3Very low89 Ų8996.9 Ų96.955%0.54650%0.501SS..Hα-helixtrans-61.8-47.3-179.753.50000112.2N416 R417 I422 S424N416-T420 PolarHBondContact O-N 3.41Å; R417-T420 PolarHBondContact O-OG1 3.18Å; R417-T420 VanDerWaalsContact O-OG1 3.04Å; T420-I422 PolarHBondContact O-N 2.84Å; T420-S424 WeakPolarHBondContact O-CB 2.96Å; T420-S424 PolarHBondContact O-N 3.38Å
421S52.5Low47.4Very low55 Ų5598 Ų9839%0.38552%0.519SS..Hα-helixtrans-67.3-36.3-178.4-172.60000114
422I46Very low46.5Very low40 Ų40101 Ų10121%0.20553%0.528CS..Hα-helixtrans-81.9-32.5-178.3-62.2176.4000112.1L202 V206 L418 T420L202-I422 HydrophobicContact CB-CD1 4.19Å; L202-I422 HydrophobicContact CD2-CD1 4.05Å; L202-I422 HydrophobicContact CD2-CG1 4.45Å; L202-I422 HydrophobicContact CG-CD1 3.64Å; V206-I422 HydrophobicContact CB-CD1 3.94Å; V206-I422 HydrophobicContact CG2-CD1 3.29Å; V206-I422 HydrophobicContact CG2-CG1 4.5Å; L418-I422 WeakPolarHBondContact O-CB 3.33Å; L418-I422 VanDerWaalsContact O-CG1 3.3Å; L418-I422 WeakPolarHBondContact O-CG1 3.42Å; L418-I422 PolarHBondContact O-N 3.34Å; T420-I422 PolarHBondContact O-N 2.84Å
423F44.7Very low45.5Very low141 Ų141103.3 Ų103.362%0.61855%0.547SS*.Hα-helixtrans-88.5-14.8179.1-64.1-60.3000113.9V206 K419V206-F423 HydrophobicContact CG1-CE2 4.1Å; V206-F423 HydrophobicContact CG1-CZ 4.39Å; K419-F423 HydrophobicContact CB-CD2 4.13Å; K419-F423 HydrophobicContact CB-CE2 4.27Å; K419-F423 HydrophobicContact CG-CD2 4.49Å; K419-F423 HydrophobicContact CG-CE2 4.12Å; K419-F423 WeakPolarHBondContact O-CB 3.26Å; K419-F423 WeakPolarHBondContact O-CD2 3.26Å; K419-F423 PolarHBondContact O-N 3.29Å
424S47.4Very low44.5Very low59 Ų59110.6 Ų110.641%0.41356%0.564SS.*Hα-helixtrans-71.9-32.1169.3167.30000112.7E66 T420 H426E66-S424 WeakPolarHBondContact OE2-CB 3.4Å; E66-S424 PolarHBondContact OE2-OG 2.93Å; T420-S424 WeakPolarHBondContact O-CB 2.96Å; T420-S424 PolarHBondContact O-N 3.38Å; S424-H426 PolarHBondContact O-N 3.39Å
425S41.9Very low43.5Very low74 Ų74111.2 Ų111.252%0.51757%0.573SS.*SBendtrans-65.796.6169.2155.30000109.8R427S425-R427 VanDerWaalsContact C-N 3.25Å; S425-R427 PolarHBondContact O-N 2.95Å
426H37.1Very low42.5Very low181 Ų181115.6 Ų115.684%0.83860%0.601SS**  trans-5579.2173.5-77.4-51.5000113S424S424-H426 PolarHBondContact O-N 3.39Å
427R38.8Very low41Very low210 Ų210115.7 Ų115.779%0.79261%0.607SS**SBendtrans-14190.9161.5-70.4-161.9-176.7-154.46.1109.5S425S425-R427 VanDerWaalsContact C-N 3.25Å; S425-R427 PolarHBondContact O-N 2.95Å
428G35.8Very low39.7Very low72 Ų72115.8 Ų115.874%0.74262%0.616SS**  trans75.182160.800000115.9P430G428-P430 WeakPolarHBondContact O-CD 3.42Å
429R33.5Very low38.6Very low241 Ų241119 Ų11991%0.90964%0.638SS**  trans-60127.4162.5-87.3-173.7177-127.61.7110
430P33.4Very low37.5Very low105 Ų105124.7 Ų124.768%0.68267%0.668SS**  trans-70.2132.4151.4-2.320.2000108.1G428 F432G428-P430 WeakPolarHBondContact O-CD 3.42Å; P430-F432 VanDerWaalsContact C-N 3.35Å; P430-F432 PolarHBondContact O-N 3.47Å
431S29.4Very low36.3Very low105 Ų105124.2 Ų124.273%0.73467%0.667SS**SBendtrans-7671.9-176.557.10000112.5
432F35.6Very low35.4Very low166 Ų166126.8 Ų126.873%0.72868%0.683SS**  trans-149.2111.4163-79.4-77.4000110.5P430P430-F432 VanDerWaalsContact C-N 3.35Å; P430-F432 PolarHBondContact O-N 3.47Å
433S32.9Very low34.7Very low118 Ų118130.8 Ų130.883%0.82571%0.711SS**  trans-82108.1169.150.70000109.1
434W32.6Very low34.2Very low206 Ų206130.2 Ų130.278%0.7871%0.713SS**PPolyproline II helixtrans-98.2133.7169.2-66.599000109.3V436W434-V436 PolarHBondContact O-N 2.9Å
435P35Very low33.4Very low114 Ų114133.2 Ų133.274%0.7473%0.732SS**PPolyproline II helixtrans-67.4123.6173.326.7-30.6000109.4
436V31.3Very low32.8Very low108 Ų108137.9 Ų137.966%0.65574%0.743SS**PPolyproline II helixtrans-80.8126.5170.5179.50000107.1W434W434-V436 PolarHBondContact O-N 2.9Å
437S28.6Very low32.4Very low80 Ų80137.6 Ų137.656%0.55974%0.742SS**PPolyproline II helixtrans-85.6118.3175.7-158.90000108.3T439S437-T439 VanDerWaalsContact C-N 3.33Å
438E32Very low32Very low186 Ų186132.8 Ų132.887%0.86974%0.738SS**  trans-86.8-2.3-178.8-67.917917100113.4
439T32.3Very low31.7Very low110 Ų110136.9 Ų136.968%0.67574%0.742SS**  trans-98.4110.5-178.243.40000112S437S437-T439 VanDerWaalsContact C-N 3.33Å
440I32.2Very low31.5Very low159 Ų159133 Ų13382%0.81574%0.738SS**  trans-89.2110.1170-58.6173.7000107.7
441C30.2Very low31.6Very low79 Ų79135.8 Ų135.853%0.53475%0.746SS.*PPolyproline II helixtrans-73.5139.8170.9-66.20000110.5
442P32.1Very low31.7Very low108 Ų108139 Ų13970%0.70175%0.749SS**PPolyproline II helixtrans-63.9155.8174.927.2-33.6000111.3I444P442-I444 PolarHBondContact O-N 3.17Å
443P33Very low31.8Very low124 Ų124136.4 Ų136.481%0.80575%0.752SS**PPolyproline II helixtrans-62.6125.9178.525.6-32.1000110.1
444I34.2Very low31.8Very low129 Ų129141.1 Ų141.166%0.66276%0.757SS**PPolyproline II helixtrans-65.5126.3170.3-58.6170.6000107.1P442 F446P442-I444 PolarHBondContact O-N 3.17Å; I444-F446 PolarHBondContact O-N 2.98Å
445P28.9Very low31.9Very low123 Ų123134.8 Ų134.880%0.79976%0.757SS**PPolyproline II helixtrans-66.3120.5173.926-30.1000108.7
446F29.6Very low31.9Very low171 Ų171134.4 Ų134.475%0.7576%0.757SS**  trans-103.3110.5174.9-159.6-91.4000108.6I444I444-F446 PolarHBondContact O-N 2.98Å
447E30.1Very low32Very low175 Ų175134.7 Ų134.782%0.81876%0.758SS**  trans-85.5131.2169.5-134.3179.1-163.800108.5L449E447-L449 PolarHBondContact O-N 3.32Å
448P29.1Very low32.2Very low110 Ų110137 Ų13771%0.71477%0.765SS**  trans-69117.8178.8-9.824.4000109.9L450P448-L450 PolarHBondContact O-N 3.32Å; P448-L450 VanDerWaalsContact O-N 3.1Å
449L29.7Very low32.6Very low158 Ų158136.1 Ų136.183%0.82776%0.76SS**  trans-64.9108.3168.5-72168.5000109.4E447 I451E447-L449 PolarHBondContact O-N 3.32Å; L449-I451 PolarHBondContact O-N 3.19Å
450L30.2Very low32.6Very low159 Ų159142.4 Ų142.483%0.83277%0.772SS**  trans-66110.9166-108.8141.2000108.4P448 E452P448-L450 PolarHBondContact O-N 3.32Å; P448-L450 VanDerWaalsContact O-N 3.1Å; L450-E452 PolarHBondContact O-N 2.91Å
451I34.1Very low32.8Very low163 Ų163140.4 Ų140.484%0.83677%0.772SS**  trans-80.199.1171.3-62.6171.7000107.1L449L449-I451 PolarHBondContact O-N 3.19Å
452E32.5Very low33.2Very low172 Ų172142.1 Ų142.180%0.80479%0.785SS**PPolyproline II helixtrans-80.8121.5167.3-74.3-170.5164.700110.3L450L450-E452 PolarHBondContact O-N 2.91Å
453S38.1Very low33Very low113 Ų113142.5 Ų142.579%0.7979%0.787SS**PPolyproline II helixtrans-69.5124.717353.20000110.9G455S453-G455 PolarHBondContact O-N 3.09Å
454K32.8Very low33.1Very low216 Ų216144 Ų14494%0.93979%0.787SS**PPolyproline II helixtrans-53.4125.3172.7-71.8176.3174.4176.50112.1
455G34.1Very low33Very low74 Ų74146.9 Ų146.976%0.76380%0.795SS**  trans-161.195.1170.100000112.4S453S453-G455 PolarHBondContact O-N 3.09Å
456S34.1Very low33.2Very low106 Ų106152.1 Ų152.174%0.74180%0.8SS**  trans13.1127.5158.9-159.80000122.1
457T34.4Very low33.4Very low113 Ų113148.7 Ų148.769%0.69380%0.797SS**  trans71.3114.1140.246.50000121.6
458D32.5Very low33.4Very low130 Ų130150.2 Ų150.270%0.69580%0.802SS**  trans97.8116.1132.2-71.6-22.2000121.9
459H39.6Very low33.7Very low167 Ų167150.8 Ų150.877%0.77380%0.803SS**  trans85.1107.6149.3-57.2-45.4000121
460R33.2Very low33.8Very low241 Ų241150.5 Ų150.591%0.90980%0.802SS**  trans58.2105.8132.8-101.7179.4173.1-159.3-1.1117.3
461S36.4Very low33.7Very low118 Ų118149 Ų14983%0.82580%0.803SS**  159.2149.6108.4-62.10000111.9
462S37.9Very low33.7Very low115 Ų115146.6 Ų146.680%0.80480%0.799SS**  trans-65.5165.4-157.6-47.10000118.8
463P29.2Very low33.6Very low115 Ų115145.1 Ų145.175%0.74780%0.802SS**  trans-92.8149.1-173.437-31.1000112.7
464I34Very low33.4Very low155 Ų155146 Ų14680%0.79580%0.802SS**  trans-117.7117.9172.8-64.8178.7000110.3
465F32.1Very low33.3Very low190 Ų190140.9 Ų140.983%0.83379%0.794SS**  trans-59.5138165.1-84.4-103.7000111.6
466Y33.8Very low33.4Very low233 Ų233148.8 Ų148.891%0.91480%0.801SS**  trans-100.899.5160.6-92.4-83000110
467S34.1Very low33.4Very low99 Ų99153 Ų15369%0.69281%0.806SS**  trans-84.2142.4161.748.80000110.6
468K29Very low33.5Very low208 Ų208155.7 Ų155.790%0.90481%0.81SS**  trans-45.2134164.5-78.6172.6171.6174.80112
469T36Very low33.9Very low121 Ų121154.1 Ų154.174%0.74281%0.807SS**  trans-150117.5151.939.80000110.7
470D32.3Very low34Very low153 Ų153152.8 Ų152.882%0.81881%0.805SS**  trans41.6135.4131.4-55.4-33.4000123.1
471C26.7Very low34.2Very low126 Ų126148 Ų14885%0.85180%0.798SS**  trans-63.5149.9171.2-62.50000112.7
472P36Very low34.3Very low114 Ų114148 Ų14874%0.7479%0.793SS**  trans-110.6122.3156.132.8-20.9000111.4
473T29Very low34.3Very low141 Ų141147.9 Ų147.987%0.86579%0.787SS**  trans-66.7129.6157.9-49.40000108.5
474T35.3Very low34.7Very low130 Ų130148 Ų14880%0.79879%0.785SS**  trans-147.8119.4160.3-8.50000111.7
475S29.5Very low34.9Very low109 Ų109147.8 Ų147.876%0.76279%0.786SS**  trans-60.5141.3173168.60000112.8
476R35.6Very low35.1Very low241 Ų241147 Ų14791%0.90979%0.785SS**  trans-149.397.5156.8-153.1173.5-173.1177.31.5112.6
477K35.4Very low35.3Very low194 Ų194142.4 Ų142.484%0.84378%0.781SS**  trans31.1128.4138.5-61.7-174.4177.1-174.90121.1
478H35.4Very low35.4Very low169 Ų169141.2 Ų141.278%0.78278%0.777SS**  trans-58.9173.3166.3-131.9-73.2000114
479P41.2Very low35.8Very low97 Ų97139.1 Ų139.163%0.6378%0.775SS**  -147.8164.696.742.9-26.1000116.7
480D42Very low35.8Very low139 Ų139141.1 Ų141.174%0.74378%0.781SS**  trans70142153.6-46.6-28.6000121.5
481D36.8Very low36Very low142 Ų142140.1 Ų140.176%0.75978%0.78SS**  cis-173.4172.5-25-161.72.7000105.9
482V38.5Very low36.5Very low117 Ų117137.1 Ų137.171%0.70977%0.77SS**  trans110.879.1165.4-1690000116.6
483T37.6Very low36.3Very low112 Ų112142.9 Ų142.969%0.68778%0.777SS**  39147.7112.546.70000120.7
484V38.2Very low36.6Very low117 Ų117144.6 Ų144.671%0.70978%0.775SS**  cis-160.1158.8-8.7-132.50000102.6
485D38.7Very low36.4Very low152 Ų152145.7 Ų145.781%0.81378%0.776SS**  -171.7152.456.1-116.6-28.2000111.1
486E36.4Very low36.7Very low174 Ų174148.3 Ų148.381%0.81378%0.781SS**  trans-91.6166.4-170.9-167.4177.6175.500111.6
487V38.6Very low36.5Very low136 Ų136144.1 Ų144.182%0.82478%0.776SS**  174.6111.3126.1169.10000111
488A35.5Very low36.5Very low74 Ų74141 Ų14161%0.61277%0.774SS**  trans45118.813900000121.2
489L37.1Very low36.6Very low164 Ų164138 Ų13886%0.85977%0.771SS**  61.1115.572-67.7171.8000114.5
490D37.1Very low36.3Very low162 Ų162140.3 Ų140.387%0.86678%0.778SS**  -166.9159.2107.4-136.2-15000114.6
491V35.3Very low36.1Very low133 Ų133141.7 Ų141.781%0.80679%0.786SS**  trans-106.7154.4-165.1167.10000112.4
492G36.8Very low35.9Very low62 Ų62138.2 Ų138.264%0.63978%0.784SS**  trans143.4110.515500000114.2
493R32.1Very low35.8Very low235 Ų235141.4 Ų141.489%0.88780%0.796SS**  53.2125.197.2-74.9-164.3-173.1-1574.4112.8
494E34.6Very low35.4Very low177 Ų177143.3 Ų143.383%0.82780%0.801SS**  cis-162170.449.9-78.2-161.2141.300113.8
495L31.4Very low35.3Very low154 Ų154144.9 Ų144.981%0.80680%0.804SS**  trans-52.7152.4173.1-69.2134.5000115.3
496N35.8Very low35Very low163 Ų163146.2 Ų146.287%0.87281%0.805SS**  -175.1140.3119.4-86-26.8000113.1
497D31.4Very low34.6Very low153 Ų153146 Ų14682%0.81880%0.804SS**  trans-47.6157.2170.4-88.6-46.6000115.2
498V36.9Very low34.5Very low129 Ų129149.1 Ų149.178%0.78281%0.807SS**  167.1124.7110.1161.70000112.7
499S36.5Very low34.5Very low105 Ų105153.1 Ų153.173%0.73481%0.812SS**  trans61.8111.8146.2-680000125.4
500N34.7Very low34.2Very low146 Ų146151.1 Ų151.178%0.78181%0.812SS**  24.8130.5119.4-72.5-15.2000121.2
501D37.4Very low34.2Very low168 Ų168149 Ų14990%0.89881%0.807SS**  -167.1126.1110.6-101.8-18000114.8
502G33.6Very low34.2Very low70 Ų70150.6 Ų150.672%0.72281%0.811SS**  trans54.4115.5137.500000123.4
503L36.5Very low33.8Very low184 Ų184156.2 Ų156.296%0.96382%0.82SS**  -166.1124.1116.1-105.3154.9000113.5
504L29.4Very low34.3Very low151 Ų151150.6 Ų150.679%0.79181%0.814SS**  trans-77.2144.7179.2-172.974.8000111.1
505I35.2Very low34.3Very low150 Ų150150.7 Ų150.777%0.76981%0.814SS**  trans-174.8112.2134-85.9146.9000111.2
506Q33.3Very low34.3Very low181 Ų181150.8 Ų150.885%0.84682%0.816SS**  trans57.2101.8143.6-68.2179.5-19.700122.6
507E27.3Very low34.2Very low168 Ų168150.6 Ų150.679%0.78582%0.815SS**  trans-70.4150.4156.6-63.6-179.2129.700113.7
508K36.6Very low34.3Very low203 Ų203151 Ų15188%0.88382%0.816SS**  trans-14293.3140.2-90.2-169179176.30111.3
509H35.1Very low34.1Very low157 Ų157151.4 Ų151.473%0.72782%0.819SS**  trans39.2118.4143-56.2-66.6000122.3
510S30.3Very low34Very low123 Ų123151.4 Ų151.486%0.8682%0.816SS**  trans-138.3128.7138.1-69.80000108.5
511P38.8Very low33.9Very low116 Ų116153.5 Ų153.575%0.75382%0.818SS**  trans-94155.2171.525.4-11.7000110.2
512L34Very low33.8Very low168 Ų168155.3 Ų155.388%0.8882%0.818SS**  cis-166.8141.54.7-96.5155.4000105.8
513H29.7Very low33.5Very low180 Ų180157.2 Ų157.283%0.83382%0.82SS**  trans-127.3120.2166.6-145.7-49.9000106.3
514P41.2Very low33.5Very low117 Ų117155.2 Ų155.276%0.7682%0.816SS**PPolyproline II helixtrans-84.7136.3174-5.323.4000110.6
515Q34.7Very low33.4Very low179 Ų179155 Ų15584%0.83682%0.816SS**PPolyproline II helixtrans-75.2142.3178.5-68.3-172-28.100112.6
516N31Very low33.4Very low156 Ų156156 Ų15683%0.83482%0.821SS**PPolyproline II helixtrans-69.7133.5162.3-85.5-27.1000110.6
517N34.5Very low33.1Very low159 Ų159153 Ų15385%0.8582%0.82SS**  trans-120.4115.9158.2-93.9-33.6000109.3
518L33.3Very low33.3Very low161 Ų161150.2 Ų150.284%0.84382%0.82SS**  trans-83.2136.2172.4-85.6142.1000110.4
519T33.9Very low32.9Very low138 Ų138144.9 Ų144.985%0.84781%0.813SS**  trans-141.5150.6144.349.30000110.1
520P33.9Very low32.7Very low105 Ų105143.7 Ų143.768%0.68282%0.817SS**  trans-120170.7-148.639.8-25.7000115.4
521K33Very low32.6Very low190 Ų190146.1 Ų146.183%0.82682%0.817SS**  trans85.2110.8158.7-54.8178.3179.6175.60118
522K33.8Very low32.3Very low205 Ų205147.9 Ų147.989%0.89182%0.818SS**  -175.6137.189.1-105177.4179.2175.20111.7
523S28.3Very low32.2Very low110 Ų110144.9 Ų144.977%0.76981%0.809SS**  trans-60.9138.7177.3510000115
524V36.1Very low32.1Very low142 Ų142142.9 Ų142.986%0.86181%0.809SS**  trans-146.1119.9135.7-179.50000108.5
525N28.2Very low32Very low148 Ų148143.5 Ų143.579%0.79181%0.81SS**  trans-61.4145.3170.3-76.1-33.4000111.3
526L33.8Very low32Very low170 Ų170142.4 Ų142.489%0.8981%0.811SS**  trans-165103.2140.7-100.1148.9000109.7
527S27.8Very low32.3Very low117 Ų117139.7 Ų139.782%0.81880%0.802SS**  trans-60.5137.3162.4-54.50000110.2
528S31Very low32.3Very low111 Ų111139.6 Ų139.678%0.77680%0.801SS**  trans-153.8108.4149.8-1620000110.8
529A28Very low32.1Very low91 Ų91139.4 Ų139.475%0.75280%0.797SS**  trans-66.8121.4165.100000108.8M531A529-M531 PolarHBondContact O-N 3.03Å
530V32.2Very low31.9Very low132 Ų132136.9 Ų136.980%0.878%0.784SS**  trans-8399.8171.71770000108.3
531M27.2Very low31.5Very low174 Ų174140.6 Ų140.686%0.85779%0.793SS**PPolyproline II helixtrans-70.4123.8160.6-73-112.5-78.800109A529A529-M531 PolarHBondContact O-N 3.03Å
532I33.4Very low31.5Very low152 Ų152136.4 Ų136.478%0.77979%0.794SS**PPolyproline II helixtrans-91121.9165.1-60.4176.7000107.4
533P32.3Very low31.2Very low105 Ų105132.3 Ų132.368%0.68279%0.791SS**PPolyproline II helixtrans-82.3134.4-176.331.9-31000111.3
534V27.7Very low31.4Very low138 Ų138136.5 Ų136.584%0.83680%0.798SS**PPolyproline II helixtrans-80.8118162.1174.40000107.4
535T38.1Very low31.2Very low130 Ų130134 Ų13480%0.79879%0.793SS**  trans-128.6143.2163.6510000111
536N33.6Very low31.1Very low157 Ų157136 Ų13684%0.8480%0.799SS**  trans-80.6171.3-157.7-114.5-8.4000114.3
537P37.9Very low31Very low99 Ų99135.6 Ų135.664%0.64380%0.797SS**  trans-93.3161.9-158.638.3-37000113.2
538N34.8Very low31.1Very low156 Ų156135.8 Ų135.883%0.83479%0.793SS**  trans-166.8130.5143.7-102.2-24.1000114
539M30.1Very low31.1Very low157 Ų157136 Ų13677%0.77379%0.792SS**  trans77121141-61.8-134.584.800122.6
540C28.4Very low31.1Very low85 Ų85140.8 Ų140.857%0.57480%0.796SS**  trans90.4108.6130.6-790000121.4
541Q26.7Very low31.1Very low183 Ų183140.5 Ų140.586%0.85580%0.797SS**  64.9101.7127.4-63.8-178.26.600118.2
542A31.9Very low31.2Very low103 Ų103137.6 Ų137.685%0.85179%0.794SS**  trans-158.4107.9134.200000110.4
543S28.3Very low30.9Very low119 Ų119138.4 Ų138.483%0.83280%0.8SS**  trans-60.9126.4166.7-31.70000110
544Q32.5Very low30.7Very low197 Ų197138 Ų13892%0.92180%0.8SS**  trans-154.3140152.7-118.117542.300112.5
545A30.9Very low30.9Very low90 Ų90139.1 Ų139.174%0.74480%0.8SS**  trans-67.9136.4-161.400000113.9L547A545-L547 PolarHBondContact O-N 3.39Å; A545-L547 VanDerWaalsContact O-N 3.1Å
546M27.3Very low30.5Very low189 Ų189139.6 Ų139.693%0.93180%0.802SS**  trans-70.895.6163.9-78.2-95.2142.200109.3V548M546-V548 PolarHBondContact O-N 2.86Å
547L30.5Very low30.4Very low162 Ų162137.4 Ų137.485%0.84880%0.799SS**  trans-80.2108162-102.1157.4000108.5A545 P549A545-L547 PolarHBondContact O-N 3.39Å; A545-L547 VanDerWaalsContact O-N 3.1Å; L547-P549 WeakPolarHBondContact O-CD 3.48Å
548V30.1Very low30.1Very low121 Ų121137.4 Ų137.473%0.73380%0.798SS**PPolyproline II helixtrans-57.9122.3168.9175.20000109.7M546 K550M546-V548 PolarHBondContact O-N 2.86Å; V548-K550 PolarHBondContact O-N 3.43Å
549P30.5Very low29.9Very low116 Ų116139.3 Ų139.375%0.75380%0.801SS**PPolyproline II helixtrans-79.9117.1165.321.6-12.3000109.2L547L547-P549 WeakPolarHBondContact O-CD 3.48Å
550K29.1Very low29.9Very low192 Ų192142.3 Ų142.384%0.83580%0.804SS**PPolyproline II helixtrans-55.6130.8165.8-72.3169.6175.5167.90109.3V548 S552V548-K550 PolarHBondContact O-N 3.43Å; K550-S552 PolarHBondContact O-N 3.31Å
551P31.7Very low30Very low125 Ų125144.1 Ų144.181%0.81281%0.807SS**  trans-73.5112.9163.728.7-28.2000108.2N553P551-N553 PolarHBondContact O-N 2.83Å
552S29.9Very low30.1Very low114 Ų114146.5 Ų146.580%0.79781%0.808SS**  trans-65.5124.1168.940.10000109.6K550 S554K550-S552 PolarHBondContact O-N 3.31Å; S552-S554 PolarHBondContact O-N 3.46Å
553N26.3Very low30.1Very low168 Ų168153.4 Ų153.490%0.89881%0.812SS**  trans-57.8116165-76.4-38000109.6P551P551-N553 PolarHBondContact O-N 2.83Å
554S29.2Very low30.2Very low98 Ų98157.5 Ų157.569%0.68582%0.815SS**  trans-156.9128.1151.1109.40000110.9S552S552-S554 PolarHBondContact O-N 3.46Å
555L31Very low30Very low161 Ų161155.7 Ų155.784%0.84381%0.811SS**  trans82.374.9157.8-56172.4000117.7S557L555-S557 PolarHBondContact O-N 2.95Å
556V30Very low30.1Very low140 Ų140155.3 Ų155.385%0.84881%0.808SS**  trans-45.3117.7136.8175.50000110
557S31Very low30.4Very low111 Ų111157.9 Ų157.978%0.77681%0.807SS**  trans-132.8145.5153.9-170.20000109.6L555L555-S557 PolarHBondContact O-N 2.95Å
558T31.5Very low30.7Very low99 Ų99156.2 Ų156.261%0.60781%0.806SS**  trans-93.2121.8-144.545.80000113.8R560T558-R560 PolarHBondContact O-N 3.49Å
559H30.4Very low30.8Very low195 Ų195162 Ų16290%0.90382%0.816SS**  trans-84.697153.6-90-84.1000109.4
560R30.9Very low30.8Very low221 Ų221159.7 Ų159.783%0.83481%0.814SS**  trans-112.260.4177.9-101.2-166.7179.9-169.83.6111.5T558T558-R560 PolarHBondContact O-N 3.49Å
561L30.6Very low31.1Very low122 Ų122157.5 Ų157.564%0.63982%0.816SS**  trans-142.8134.8165.4-72.2172.8000109P613L561-P613 HydrophobicContact CD1-CB 4.03Å; L561-P613 HydrophobicContact CD1-CG 4.26Å
562W28.6Very low31Very low234 Ų234157.8 Ų157.889%0.88682%0.816SS**  trans85.267.2-178.7-51.199.1000117.7
563R32.4Very low31.1Very low248 Ų248160.6 Ų160.694%0.93682%0.821SS**  trans-137.424.5161.2-133.7-163.6-74.6-179-2.1115.8
564K30.1Very low31.4Very low204 Ų204161.3 Ų161.389%0.88782%0.819SS**SBendtrans-118.19.6-175.3-90.7-163.5175.9-174.20118.3
565L27.7Very low31.4Very low159 Ų159162.1 Ų162.183%0.83282%0.822SS**SBendtrans-133.869178.5-66.1173000112.4
566A32.9Very low31.7Very low82 Ų82159.7 Ų159.768%0.67882%0.818SS**  trans178.591.2155.600000109.3
567R33.6Very low31.8Very low243 Ų243161.5 Ų161.592%0.91782%0.818SS**  trans-119.9126.5154.1-84.5-166.2-177.8-163.32.1107.7
568P37.1Very low31.7Very low127 Ų127165.7 Ų165.783%0.82582%0.822SS**  trans-67.5146.2171.9-12.927.7000111
569Y32.2Very low31.9Very low242 Ų242166.8 Ų166.895%0.94983%0.831SS**  trans-55.4146.2177.4-85.9-101.5000113.8
570G31.1Very low31.9Very low69 Ų69168.8 Ų168.871%0.71183%0.831SS**  trans152.185.9163.900000112.3
571V34.9Very low32.2Very low145 Ų145163.5 Ų163.588%0.87983%0.828SS**  trans157.6119.3142.2165.70000108.8
572T29.9Very low32.4Very low131 Ų131163 Ų16380%0.80483%0.831SS**  trans-63.1126.1-177.9-31.20000112.8
573L32.2Very low32.4Very low173 Ų173157 Ų15791%0.90683%0.825SS**  trans-147137.9149.1-78.5-179.2000109.5
574Q32.2Very low32.7Very low183 Ų183151.4 Ų151.486%0.85582%0.819SS**  trans-62.4159.4-170.3-77.6-96-6.100115.1
575P30.2Very low32.8Very low116 Ų116148.5 Ų148.575%0.75381%0.813SS**  trans-103.4123.6-17435.5-23.7000114.4
576S35.6Very low33.2Very low109 Ų109147.8 Ų147.876%0.76282%0.815SS**  trans-165.1139.1151.472.10000104.3
577E32.7Very low33.1Very low179 Ų179147.7 Ų147.784%0.83681%0.809SS**  cis-153.8143.729.4-65.3165.8152.500107.3
578F28.7Very low33Very low199 Ų199145.4 Ų145.487%0.87381%0.806SS**  trans-88.9133.1168.2-108.5-89.2000109
579P36.4Very low32.8Very low121 Ų121144.8 Ų144.879%0.78681%0.805SS**  trans-95.7115.3157.75.514000109.6
580R29.4Very low32.7Very low237 Ų237141.3 Ų141.389%0.89480%0.803SS**  trans-94.9141.4154.5-70.7-174.8-172.2-148.93108
581S37.2Very low32.9Very low111 Ų111143.8 Ų143.878%0.77681%0.809SS**  trans-168.9160.2157.558.60000109.3
582P34.6Very low32.9Very low110 Ų110145.1 Ų145.171%0.71481%0.811SS**  -130.9162.1-58.331.6-14.5000111.7
583S29.9Very low33.1Very low108 Ų108142.4 Ų142.476%0.75581%0.81SS**  trans-62.4140164.746.30000112
584V38.1Very low33.2Very low132 Ų132142.6 Ų142.680%0.881%0.812SS**  trans-133116.5158.2177.60000108.2
585D32.3Very low33.3Very low143 Ų143137 Ų13777%0.76580%0.803SS**  trans-73136.5169-64-57.3000110.6
586V35.6Very low33.5Very low143 Ų143140 Ų14087%0.86781%0.812SS**  trans-147.5133.6142-176.70000108.6
587S30.8Very low33.1Very low81 Ų81140.1 Ų140.157%0.56681%0.813SS**  trans-104.3159.7-167.9-420000113.4
588F31.4Very low33.2Very low195 Ų195137.1 Ų137.186%0.85581%0.811SS**  trans65.1137160.4-53.7-72.2000116.9
589S33Very low33.4Very low114 Ų114132.8 Ų132.880%0.79780%0.801SS**  cis-167.115241.6-39.30000110.4
590N29.9Very low33.3Very low169 Ų169133.2 Ų133.290%0.90480%0.797SS**  trans-73.1142.8172.3-82.8-12.5000113
591S36.5Very low33.6Very low120 Ų120129 Ų12984%0.83979%0.793SS**  trans-156.4129145.358.20000111.3
592N34Very low33.4Very low173 Ų173134.1 Ų134.193%0.92580%0.795SS**  trans-57.5151.9177.3-66.8-31.3000113.6
593G35.2Very low33.4Very low75 Ų75136.1 Ų136.177%0.77380%0.796SS**  trans175.4105.5165.500000113.3
594N33.9Very low33.6Very low177 Ų177137.5 Ų137.595%0.94779%0.794SS**  trans-56.7156.9171.8-72-16.4000113.3
595G34Very low33.4Very low66 Ų66138.9 Ų138.968%0.6880%0.796SS**  trans14197.8145.200000116.8
596L33.7Very low33.5Very low178 Ų178137 Ų13793%0.93280%0.801SS**  trans58.2141.9132.4-68.2157.8000121.8
597S28.7Very low33.4Very low112 Ų112135.7 Ų135.778%0.78379%0.789SS**  trans-67.5146.9-178.558.30000114.9
598S33.1Very low33.6Very low115 Ų115137.5 Ų137.580%0.80480%0.799SS**  trans-163.9152130.4-1560000112.5
599T34.1Very low34Very low108 Ų108132.5 Ų132.566%0.66379%0.788SS**  trans-47.9158.1-178.344.70000121.1
600D33.8Very low34.3Very low130 Ų130133 Ų13370%0.69579%0.786SS**  trans64.7116.1143-61.3-23.9000121.4
601N35.3Very low34.5Very low150 Ų150132.2 Ų132.280%0.80278%0.781SS**  158.5152.1103.9-88.6-59.1000113.3
602R34.4Very low34.5Very low218 Ų218131.4 Ų131.482%0.82377%0.773SS**  trans76.2106.6157.7-85.1179.4147.6156.8-5117.6
603M32.8Very low34.5Very low152 Ų152126.9 Ų126.975%0.74975%0.753SS**  86.6132.279.9-84.2-16891.100112.6
604L35.9Very low34.6Very low136 Ų136129.3 Ų129.371%0.71276%0.755SS**  trans105108.8156-53.5-176000117.8
605L32.4Very low34.5Very low161 Ų161130 Ų13084%0.84375%0.749SS**  trans58.1108.7140.2-78.794.4000119.1
606A35.9Very low34.4Very low103 Ų103132.8 Ų132.885%0.85175%0.753SS**  trans-167.6116.9132.700000112.2
607D32.7Very low34.2Very low117 Ų117135.2 Ų135.263%0.62675%0.75SS**  trans8.5120.9148.8-160.2-27.1000119.3S609D607-S609 VanDerWaalsContact C-N 3.26Å; D607-S609 VanDerWaalsContact CG-OG 3.27Å; D607-S609 PolarHBondContact O-N 3.12Å; D607-S609 WeakPolarHBondContact OD1-CB 3.41Å; D607-S609 PolarHBondContact OD1-N 3.41Å; D607-S609 VanDerWaalsContact OD1-N 3.15Å; D607-S609 PolarHBondContact OD1-OG 2.85Å; D607-S609 PolarHBondContact OD2-OG 3.26Å
608P34.2Very low34.3Very low119 Ų119134.6 Ų134.677%0.77375%0.745SS**G310 helixtrans-80.312.2-178.433.1-33.6000115.1V610P608-V610 PolarHBondContact O-N 3.07Å
609S40Very low34.1Very low90 Ų90135.8 Ų135.863%0.62974%0.741SS**G310 helixtrans-86.56.4-176.560.70000116.3D607D607-S609 VanDerWaalsContact C-N 3.26Å; D607-S609 VanDerWaalsContact CG-OG 3.27Å; D607-S609 PolarHBondContact O-N 3.12Å; D607-S609 WeakPolarHBondContact OD1-CB 3.41Å; D607-S609 PolarHBondContact OD1-N 3.41Å; D607-S609 VanDerWaalsContact OD1-N 3.15Å; D607-S609 PolarHBondContact OD1-OG 2.85Å; D607-S609 PolarHBondContact OD2-OG 3.26Å
610V39.1Very low34.1Very low123 Ų123137.2 Ų137.275%0.74575%0.75SS**G310 helixtrans-124.112.5-171.7-1660000114.4P608P608-V610 PolarHBondContact O-N 3.07Å
611L34.1Very low34.1Very low154 Ų154139.7 Ų139.781%0.80675%0.75SS**PPolyproline II helixtrans-77.9124.9176.2-68.8176.7000112
612P37.7Very low34.2Very low102 Ų102140.5 Ų140.566%0.66275%0.754SS**PPolyproline II helixtrans-67.4142.2176.427.6-31.6000110.1
613P33.6Very low34.1Very low79 Ų79136.1 Ų136.151%0.51376%0.755SS.*PPolyproline II helixtrans-58.9147.9178.223.8-32.2000111L561 K615L561-P613 HydrophobicContact CD1-CB 4.03Å; L561-P613 HydrophobicContact CD1-CG 4.26Å; P613-K615 PolarHBondContact O-N 3.25Å
614P36.5Very low34.4Very low125 Ų125132.5 Ų132.581%0.81276%0.757SS**PPolyproline II helixtrans-59.2123.8-173.423-31.3000110.1V616P614-V616 PolarHBondContact O-N 2.94Å; P614-V616 VanDerWaalsContact O-N 3.08Å
615K32.1Very low34.5Very low191 Ų191132 Ų13283%0.8376%0.764SS**  trans-63.9109.6178.4-70.3176.3179.9172.70109P613 R617P613-K615 PolarHBondContact O-N 3.25Å; K615-R617 PolarHBondContact O-N 3.46Å
616V32.9Very low34.6Very low126 Ų126134.6 Ų134.676%0.76476%0.763SS**  trans-51.1113.3154.2-179.10000106P614 C618P614-V616 PolarHBondContact O-N 2.94Å; P614-V616 VanDerWaalsContact O-N 3.08Å; V616-C618 PolarHBondContact O-N 2.9Å
617R29.1Very low34.5Very low228 Ų228137.5 Ų137.586%0.8676%0.764SS**  trans-66.981.5-178.7-85.5-178.1170.5166-1.3109.6K615K615-R617 PolarHBondContact O-N 3.46Å
618C29.7Very low34.6Very low100 Ų100136.3 Ų136.368%0.67677%0.765SS**  trans-76.9116.5156.4-58.60000107.1V616 T620V616-C618 PolarHBondContact O-N 2.9Å; C618-T620 PolarHBondContact O-N 2.77Å; C618-T620 PolarHBondContact O-OG1 3.17Å
619L29.8Very low34.9Very low140 Ų140140.3 Ų140.373%0.73377%0.77SS**  trans-58.398.2176.3-67.9166.1000110.1
620T34.4Very low34.9Very low137 Ų137142.9 Ų142.984%0.8478%0.782SS**  trans-90.6115.1162.58.20000107C618C618-T620 PolarHBondContact O-N 2.77Å; C618-T620 PolarHBondContact O-OG1 3.17Å
621R33.9Very low34.8Very low183 Ų183143.1 Ų143.169%0.69179%0.786SS**  trans-91.4117.4172.9-96.2178.9163.9138.6-2.9107.8
622D35.9Very low35.1Very low167 Ų167139.2 Ų139.289%0.89378%0.783SS**  trans-75.4125.4159.6-74.8-39.7000109.1
623C33.2Very low35.1Very low126 Ų126140.8 Ų140.885%0.85179%0.793SS**  trans-93.4109.4177.6-69.20000109
624G38.2Very low34.9Very low76 Ų76145.4 Ų145.478%0.78481%0.808SS**PPolyproline II helixtrans-82.9153161.500000111.6
625S38.7Very low34.8Very low124 Ų124147.7 Ų147.787%0.86781%0.812SS**PPolyproline II helixtrans-55.6153.9-163.9-166.10000117
626R34.4Very low35Very low217 Ų217146.9 Ų146.982%0.81981%0.811SS**PPolyproline II helixtrans-60.4145.2172.9-75.6166.2145.2175-11112
627D34.9Very low35.1Very low163 Ų163147.4 Ų147.487%0.87282%0.815SS**  trans-119141142.5-140.1-18.6000109.1
628S34.8Very low35.5Very low92 Ų92142.5 Ų142.564%0.64381%0.81SS**  trans-115.1117.2-165.853.10000110.7
629K40.2Very low35.9Very low204 Ų204145.4 Ų145.489%0.88782%0.819SS**  trans164.694.6155.3-94.4159.1-175.8-171.70109.7
630V40.5Very low35.9Very low143 Ų143142.3 Ų142.387%0.86782%0.82SS**  trans-174.2122142-178.60000107.7
631P36.7Very low35.8Very low128 Ų128142.1 Ų142.183%0.83182%0.819SS**  trans-98.8140.5171.733.2-25.1000112.6
632G39.2Very low35.5Very low73 Ų73138.7 Ų138.775%0.75382%0.823SS**  trans-161150.6171.600000111.7
633P37.8Very low35.4Very low134 Ų134135.9 Ų135.987%0.8781%0.814SS**  -94.6159-125.633.6-35.3000117.2
634Q30.5Very low35.5Very low176 Ų176136.7 Ų136.782%0.82282%0.815SS**  trans-66.5140.9176.7-76.3172.9-29.500113.5
635L34.9Very low35.4Very low173 Ų173140.5 Ų140.591%0.90681%0.813SS**  trans-129.4136.1151.8-77.7175.3000110.3
636H35.9Very low35.2Very low174 Ų174141.9 Ų141.981%0.80681%0.808SS**  trans-68.8141.5-170.7-87.6-106.9000113.4
637V34Very low35.2Very low138 Ų138140.5 Ų140.584%0.83681%0.809SS**  trans-93.5128169.3-162.60000108.3
638T37.7Very low35.1Very low125 Ų125138.7 Ų138.777%0.76780%0.795SS**  trans-111.8141.2167.650.40000110.6
639N37.3Very low34.9Very low161 Ų161141.9 Ų141.986%0.86180%0.804SS**  trans-52.8138.6-177.2-51.1-49.9000111.5
640G30.2Very low34.5Very low74 Ų74137.2 Ų137.276%0.76379%0.794SS**  8685.364.800000111
641V32.6Very low34.6Very low133 Ų133140.9 Ų140.981%0.80682%0.818SS**  trans-150.3120163.4-172.40000109.9
642S27.5Very low34.5Very low111 Ų111141.6 Ų141.678%0.77682%0.817SS**  trans-90.8141.3161.656.90000109.8
643P34.9Very low34.2Very low109 Ų109145.2 Ų145.271%0.70882%0.82SS**  trans-130.9108.7159.221.6-0.7000112.7Q645P643-Q645 PolarHBondContact O-N 3.16Å
644T33.7Very low34Very low142 Ų142145.8 Ų145.887%0.87182%0.818SS**  trans-79.696.6146.3-40.40000106.2
645Q36.4Very low34.2Very low157 Ų157144 Ų14473%0.73482%0.817SS**  trans-143.4111.2166.7-106.7176.2-2.800110.4P643 F647P643-Q645 PolarHBondContact O-N 3.16Å; Q645-F647 PolarHBondContact O-N 2.69Å
646I34.3Very low34.2Very low152 Ų152142.2 Ų142.278%0.77981%0.812SS**  trans-64.4118.2166.9-68.4163.8000107.1
647F35.5Very low34.1Very low189 Ų189140.1 Ų140.183%0.82981%0.812SS**  trans-98.5115.2158.1-89.3-85000108.5Q645Q645-F647 PolarHBondContact O-N 2.69Å
648Q33.3Very low34.1Very low125 Ų125140.2 Ų140.258%0.58481%0.811SS**  trans-109.8150.9162.8-167.1176.3-24.800106
649L30.2Very low33.8Very low159 Ų159141.4 Ų141.483%0.83281%0.814SS**  trans115.7154.4166.1-64.4165.4000113.3
650P32Very low33.5Very low105 Ų105139.8 Ų139.868%0.68281%0.81SS**  cis-140134.4-30.431.4-12.9000113.7
651T41.5Very low33.8Very low221 Ų221145.7 Ų145.7100%1.35681%0.814SS**  -1730128.7300000108.2

Retrieved 651 of 651 residues in 224.8 ms (Link to these results)

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