G4VID9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VID9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 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
1M63.8Low78.3Confident249 Ų249116 Ų116100%1.22762%0.618SS**  0135.80-73.6170163.500108.2
2T66.5Low77.8Confident141 Ų141114.7 Ų114.787%0.86561%0.61SS**  trans-105.112516743.40000107.8
3I83Confident77.7Confident110 Ų110115.6 Ų115.656%0.56461%0.609SS**  trans-74.3149.9171.456.9178.5000110Q7 A8I3-Q7 HydrophobicContact CB-CB 4.39Å; I3-A8 HydrophobicContact CD1-CB 3.86Å
4S86Confident77.7Confident63 Ų63114.3 Ų114.344%0.44160%0.597SS.*  trans-71.3157.2168.9-1720000110.8E6 Q7 A8S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 PolarHBondContact O-N 2.98Å; S4-Q7 VanDerWaalsContact N-OE1 3.16Å; S4-Q7 PolarHBondContact O-N 3.11Å; S4-Q7 VanDerWaalsContact O-N 3.14Å; S4-A8 PolarHBondContact O-N 3.36Å
5L83.7Confident76.9Confident149 Ų149113.7 Ų113.778%0.7858%0.584SS**Hα-helixtrans-58.8-41.2172.7-69.3175.3000111.3Q7 A8 L9L5-Q7 VanDerWaalsContact C-N 3.3Å; L5-Q7 PolarHBondContact O-N 3.02Å; L5-A8 WeakPolarHBondContact O-CB 3.3Å; L5-A8 PolarHBondContact O-N 2.9Å; L5-A8 VanDerWaalsContact O-N 3.11Å; L5-L9 PolarHBondContact O-N 3.14Å
6E86.9Confident76.5Confident126 Ų126113.3 Ų113.359%0.58958%0.579SS**Hα-helixtrans-56.2-43.3173.7-55-52.5139.700112.2S4 L9 I10S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 PolarHBondContact O-N 2.98Å; E6-L9 PolarHBondContact O-N 3.42Å; E6-I10 WeakPolarHBondContact O-CD1 3.48Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.44Å; E6-I10 PolarHBondContact O-N 3.36Å
7Q83Confident76.5Confident105 Ų105114.6 Ų114.649%0.49158%0.582SS.*Hα-helixtrans-69.2-36178-69.9177.4-32.400111.7I3 S4 L5 I11I3-Q7 HydrophobicContact CB-CB 4.39Å; S4-Q7 VanDerWaalsContact N-OE1 3.16Å; S4-Q7 PolarHBondContact O-N 3.11Å; S4-Q7 VanDerWaalsContact O-N 3.14Å; L5-Q7 VanDerWaalsContact C-N 3.3Å; L5-Q7 PolarHBondContact O-N 3.02Å; Q7-I11 WeakPolarHBondContact O-CB 3.42Å; Q7-I11 WeakPolarHBondContact O-CD1 3.33Å; Q7-I11 WeakPolarHBondContact O-CG1 3.45Å; Q7-I11 PolarHBondContact O-N 3.44Å
8A76.7Confident76.2Confident38 Ų38112.8 Ų112.831%0.31457%0.571SS.*Hα-helixtrans-65.9-38.9174.700000111.8I3 S4 L5 L12I3-A8 HydrophobicContact CD1-CB 3.86Å; S4-A8 PolarHBondContact O-N 3.36Å; L5-A8 WeakPolarHBondContact O-CB 3.3Å; L5-A8 PolarHBondContact O-N 2.9Å; L5-A8 VanDerWaalsContact O-N 3.11Å; A8-L12 WeakPolarHBondContact O-CB 3.36Å; A8-L12 PolarHBondContact O-N 3.34Å
9L78.6Confident75.7Confident105 Ų105109.8 Ų109.855%0.5556%0.556SS.*Hα-helixtrans-62.3-53.8175.1-168.581.6000111.1L5 E6 I11 L12 E13L5-L9 PolarHBondContact O-N 3.14Å; E6-L9 PolarHBondContact O-N 3.42Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.06Å; L9-L12 WeakPolarHBondContact O-CA 3.16Å; L9-L12 WeakPolarHBondContact O-CB 3.35Å; L9-L12 PolarHBondContact O-N 3.04Å; L9-E13 PolarHBondContact O-N 3.01Å
10I80.7Confident75.4Confident107 Ų107109.5 Ų109.555%0.54955%0.554SS.*Hα-helixtrans-59.1-41.5180-66.5163.2000111.3E6 L12 H14E6-I10 WeakPolarHBondContact O-CD1 3.48Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.44Å; E6-I10 PolarHBondContact O-N 3.36Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 2.98Å; I10-H14 WeakPolarHBondContact O-CB 3.2Å; I10-H14 PolarHBondContact O-N 2.99Å
11I72.6Confident75.3Confident83 Ų83106.7 Ų106.743%0.42655%0.549SS..Hα-helixtrans-64.8-34.5176.2-71165.8000111.7Q7 L9 R15Q7-I11 WeakPolarHBondContact O-CB 3.42Å; Q7-I11 WeakPolarHBondContact O-CD1 3.33Å; Q7-I11 WeakPolarHBondContact O-CG1 3.45Å; Q7-I11 PolarHBondContact O-N 3.44Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.06Å; I11-R15 WeakPolarHBondContact O-CB 3.47Å; I11-R15 WeakPolarHBondContact O-CD 3.12Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 2.87Å
12L72.3Confident75.6Confident100 Ų10097.9 Ų97.952%0.52450%0.503SS..Hα-helixtrans-73.6-46.1177.3179.961.3000111.6A8 L9 I10 R15 Q16A8-L12 WeakPolarHBondContact O-CB 3.36Å; A8-L12 PolarHBondContact O-N 3.34Å; L9-L12 WeakPolarHBondContact O-CA 3.16Å; L9-L12 WeakPolarHBondContact O-CB 3.35Å; L9-L12 PolarHBondContact O-N 3.04Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 2.98Å; L12-R15 WeakPolarHBondContact O-CB 3.43Å; L12-R15 PolarHBondContact O-N 3.27Å; L12-Q16 WeakPolarHBondContact O-CG 3.48Å; L12-Q16 PolarHBondContact O-N 3.05Å
13E75.9Confident75.5Confident127 Ų12791.8 Ų91.859%0.59347%0.465SS*.Hα-helixtrans-61-48.6178.3-173.1176.917200111.5L9 R15 Q16 Q17L9-E13 PolarHBondContact O-N 3.01Å; E13-R15 VanDerWaalsContact C-N 3.26Å; E13-R15 PolarHBondContact O-N 2.64Å; E13-Q16 WeakPolarHBondContact O-CB 3.44Å; E13-Q16 PolarHBondContact O-N 2.98Å; E13-Q17 PolarHBondContact O-N 3.08Å
14H78.2Confident75.1Confident97 Ų9791.7 Ų91.745%0.44946%0.462SS..Hα-helixtrans-57.3-37.6174.4178.1-99000112.5I10 Q17 Q18I10-H14 WeakPolarHBondContact O-CB 3.2Å; I10-H14 PolarHBondContact O-N 2.99Å; H14-Q17 PolarHBondContact O-N 3.2Å; H14-Q18 PolarHBondContact CE1-NE2 2.62Å; H14-Q18 WeakPolarHBondContact O-CB 3.14Å; H14-Q18 WeakPolarHBondContact O-CG 3.43Å; H14-Q18 PolarHBondContact O-N 3.27Å
15R65Low74.4Confident105 Ų10594.1 Ų94.140%0.39647%0.467SS..Hα-helixtrans-67.6-39.4174.1-78.8169.6179.1-98.7-0.3113I11 L12 E13 M19 Y252I11-R15 WeakPolarHBondContact O-CB 3.47Å; I11-R15 WeakPolarHBondContact O-CD 3.12Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 2.87Å; L12-R15 WeakPolarHBondContact O-CB 3.43Å; L12-R15 PolarHBondContact O-N 3.27Å; E13-R15 VanDerWaalsContact C-N 3.26Å; E13-R15 PolarHBondContact O-N 2.64Å; R15-M19 VanDerWaalsContact O-CB 3.28Å; R15-M19 WeakPolarHBondContact O-CB 3.28Å; R15-M19 PolarHBondContact O-N 3.39Å; R15-Y252 VanDerWaalsContact NH2-CD2 3.32Å
16Q70.8Confident73.7Confident108 Ų10887.6 Ų87.651%0.50543%0.433SS..Hα-helixtrans-64.4-42.8174.8-67.4-62.7-39.500110.6L12 E13 M19 L20L12-Q16 WeakPolarHBondContact O-CG 3.48Å; L12-Q16 PolarHBondContact O-N 3.05Å; E13-Q16 WeakPolarHBondContact O-CB 3.44Å; E13-Q16 PolarHBondContact O-N 2.98Å; Q16-M19 PolarHBondContact O-N 2.76Å; Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 PolarHBondContact O-N 3.27Å
17Q77.2Confident72.9Confident136 Ų13684.4 Ų84.464%0.63642%0.419SS*.Hα-helixtrans-65.6-42.9178.2-165176.718.300112.5E13 H14 L20 A21E13-Q17 PolarHBondContact O-N 3.08Å; H14-Q17 PolarHBondContact O-N 3.2Å; Q17-L20 PolarHBondContact O-N 2.98Å; Q17-A21 WeakPolarHBondContact O-CB 3.21Å; Q17-A21 PolarHBondContact O-N 2.9Å
18Q71.1Confident72.2Confident82 Ų8285.8 Ų85.838%0.38343%0.425SS..Hα-helixtrans-63.2-40.6173.3-76.3-170.9-28.800112.5H14 A21 F22H14-Q18 PolarHBondContact CE1-NE2 2.62Å; H14-Q18 WeakPolarHBondContact O-CB 3.14Å; H14-Q18 WeakPolarHBondContact O-CG 3.43Å; H14-Q18 PolarHBondContact O-N 3.27Å; Q18-A21 PolarHBondContact O-N 3.4Å; Q18-F22 WeakPolarHBondContact O-CB 3.41Å; Q18-F22 PolarHBondContact O-N 2.84Å
19M66.2Low71.9Confident56 Ų5686.2 Ų86.228%0.27642%0.424SS..Hα-helixtrans-62.8-44.8175.8-176.1-174.2-64.300111.4R15 Q16 F22 Q23 F287R15-M19 VanDerWaalsContact O-CB 3.28Å; R15-M19 WeakPolarHBondContact O-CB 3.28Å; R15-M19 PolarHBondContact O-N 3.39Å; Q16-M19 PolarHBondContact O-N 2.76Å; M19-F22 PolarHBondContact O-N 3.28Å; M19-Q23 WeakPolarHBondContact O-CG 3.41Å; M19-Q23 PolarHBondContact O-N 3.1Å; M19-F287 HydrophobicContact CE-CD2 3.68Å; M19-F287 HydrophobicContact CE-CE2 3.69Å; M19-F287 HydrophobicContact CE-CG 4.21Å; M19-F287 HydrophobicContact CE-CZ 4.22Å; M19-F287 HydrophobicContact CG-CE2 4.04Å; M19-F287 HydrophobicContact CG-CZ 4.44Å; M19-F287 HydrophobicContact SD-CD2 3.72Å; M19-F287 HydrophobicContact SD-CE2 3.43Å; M19-F287 WeakPolarHBondContact SD-CE2 3.29Å; M19-F287 HydrophobicContact SD-CZ 4.29Å
20L69.8Low71.3Confident102 Ų10282.3 Ų82.353%0.53440%0.404SS..Hα-helixtrans-64.5-43177.9-178.163.5000112.1Q16 Q17 Q23 Q24Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 PolarHBondContact O-N 3.27Å; Q17-L20 PolarHBondContact O-N 2.98Å; L20-Q23 PolarHBondContact O-N 2.95Å; L20-Q24 WeakPolarHBondContact O-CG 3.39Å; L20-Q24 PolarHBondContact O-N 3.29Å
21A73.1Confident70.7Confident52 Ų5280.1 Ų80.143%0.4339%0.393SS..Hα-helixtrans-63.3-41175.900000112Q17 Q18 Q24 Q25Q17-A21 WeakPolarHBondContact O-CB 3.21Å; Q17-A21 PolarHBondContact O-N 2.9Å; Q18-A21 PolarHBondContact O-N 3.4Å; A21-Q24 PolarHBondContact O-N 2.92Å; A21-Q25 WeakPolarHBondContact O-CB 3.35Å; A21-Q25 PolarHBondContact O-N 3.3Å
22F70.8Confident70.4Confident63 Ų6380.2 Ų80.228%0.27640%0.395SS..Hα-helixtrans-63.2-41.8174.3179.6-95.5000112.1Q18 M19 Q25 L26 F245 V247Q18-F22 WeakPolarHBondContact O-CB 3.41Å; Q18-F22 PolarHBondContact O-N 2.84Å; M19-F22 PolarHBondContact O-N 3.28Å; F22-Q25 PolarHBondContact O-N 2.89Å; F22-L26 VanDerWaalsContact O-CB 3.29Å; F22-L26 WeakPolarHBondContact O-CB 3.36Å; F22-L26 PolarHBondContact O-N 3.14Å; F22-F245 HydrophobicContact CZ-CB 4.23Å; F22-F245 HydrophobicContact CZ-CD2 4.28Å; F22-F245 HydrophobicContact CZ-CG 4.14Å; F22-V247 HydrophobicContact CZ-CG2 4.4Å
23Q64.7Low70Confident13 Ų1380 Ų806%0.06139%0.39CS..Hα-helixtrans-62.6-44.2174.7-70.7-75.633.600111.8M19 L20 L26 I27 D284M19-Q23 WeakPolarHBondContact O-CG 3.41Å; M19-Q23 PolarHBondContact O-N 3.1Å; L20-Q23 PolarHBondContact O-N 2.95Å; Q23-L26 PolarHBondContact O-N 3.43Å; Q23-I27 WeakPolarHBondContact O-CB 3.22Å; Q23-I27 WeakPolarHBondContact O-CD1 3.38Å; Q23-I27 WeakPolarHBondContact O-CG1 3.47Å; Q23-I27 PolarHBondContact O-N 3.33Å; Q23-D284 PolarHBondContact NE2-OD1 3.16Å
24Q73.1Confident69.1Low108 Ų10877.8 Ų77.851%0.50538%0.378SS..Hα-helixtrans-60.4-49.8176-72.8172.2100111.5L20 A21 L26 I27 E28L20-Q24 WeakPolarHBondContact O-CG 3.39Å; L20-Q24 PolarHBondContact O-N 3.29Å; A21-Q24 PolarHBondContact O-N 2.92Å; Q24-L26 VanDerWaalsContact C-N 3.28Å; Q24-L26 PolarHBondContact O-N 3.21Å; Q24-I27 PolarHBondContact O-N 2.85Å; Q24-E28 WeakPolarHBondContact O-CG 3.46Å; Q24-E28 PolarHBondContact O-N 2.77Å
25Q71.8Confident68.1Low114 Ų11479.3 Ų79.353%0.53338%0.384SS..Hα-helixtrans-60.1-37.4176.9-173.1-17810.700112.4A21 F22 T29A21-Q25 WeakPolarHBondContact O-CB 3.35Å; A21-Q25 PolarHBondContact O-N 3.3Å; F22-Q25 PolarHBondContact O-N 2.89Å; Q25-T29 VanDerWaalsContact O-CB 3.27Å; Q25-T29 WeakPolarHBondContact O-CB 3.41Å; Q25-T29 PolarHBondContact O-N 2.94Å; Q25-T29 PolarHBondContact O-OG1 2.95Å
26L69Low67.8Low13 Ų1379.4 Ų79.47%0.06839%0.392CS..Hα-helixtrans-66.2-46175.5175.257.8000111.5F22 Q23 Q24 T29 V30 F245 L259F22-L26 VanDerWaalsContact O-CB 3.29Å; F22-L26 WeakPolarHBondContact O-CB 3.36Å; F22-L26 PolarHBondContact O-N 3.14Å; Q23-L26 PolarHBondContact O-N 3.43Å; Q24-L26 VanDerWaalsContact C-N 3.28Å; Q24-L26 PolarHBondContact O-N 3.21Å; L26-T29 PolarHBondContact O-N 2.98Å; L26-V30 HydrophobicContact CD1-CG2 4.2Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.4Å; L26-F245 HydrophobicContact CD1-CE2 3.38Å; L26-F245 HydrophobicContact CD1-CZ 3.51Å; L26-F245 HydrophobicContact CD2-CD2 4.16Å; L26-F245 HydrophobicContact CD2-CE2 3.65Å; L26-F245 HydrophobicContact CG-CE2 4.17Å; L26-L259 HydrophobicContact CD2-CB 4.34Å; L26-L259 HydrophobicContact CD2-CD2 4.05Å; L26-L259 HydrophobicContact CG-CD2 4.09Å
27I69.7Low66.9Low58 Ų5878.1 Ų78.130%0.29739%0.389SS..Hα-helixtrans-59.8-49.3176.3-68.3160.2000109.9Q23 Q24 T29 V30 L31 L282Q23-I27 WeakPolarHBondContact O-CB 3.22Å; Q23-I27 WeakPolarHBondContact O-CD1 3.38Å; Q23-I27 WeakPolarHBondContact O-CG1 3.47Å; Q23-I27 PolarHBondContact O-N 3.33Å; Q24-I27 PolarHBondContact O-N 2.85Å; I27-T29 PolarHBondContact O-N 2.88Å; I27-V30 PolarHBondContact O-N 3.46Å; I27-L31 HydrophobicContact CG2-CD1 3.63Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 VanDerWaalsContact O-CG 3.26Å; I27-L31 WeakPolarHBondContact O-CG 3.19Å; I27-L31 PolarHBondContact O-N 2.89Å; I27-L282 HydrophobicContact CD1-CD1 3.8Å; I27-L282 HydrophobicContact CD1-CD2 4.38Å; I27-L282 HydrophobicContact CG1-CD1 3.93Å
28E69.8Low65.2Low135 Ų13574 Ų7463%0.63138%0.383SS*.Hα-helixtrans-58.5-44.8175.9-72.1-177.9163.600112.1Q24 V30 L31 D32Q24-E28 WeakPolarHBondContact O-CG 3.46Å; Q24-E28 PolarHBondContact O-N 2.77Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 3.19Å; E28-L31 PolarHBondContact O-N 3.03Å; E28-D32 VanDerWaalsContact O-CB 3.27Å; E28-D32 WeakPolarHBondContact O-CB 3.33Å; E28-D32 PolarHBondContact O-N 3.25Å
29T70Confident63.8Low46 Ų4674.7 Ų74.728%0.28240%0.403SS..Hα-helixtrans-64.2-32.2178.1-59.40000112.5Q25 L26 I27 K33Q25-T29 VanDerWaalsContact O-CB 3.27Å; Q25-T29 WeakPolarHBondContact O-CB 3.41Å; Q25-T29 PolarHBondContact O-N 2.94Å; Q25-T29 PolarHBondContact O-OG1 2.95Å; L26-T29 PolarHBondContact O-N 2.98Å; I27-T29 PolarHBondContact O-N 2.88Å; T29-K33 HydrophobicContact CG2-CD 4.29Å; T29-K33 WeakPolarHBondContact O-CB 3.11Å; T29-K33 WeakPolarHBondContact O-CD 3.28Å; T29-K33 VanDerWaalsContact O-CG 3.22Å; T29-K33 WeakPolarHBondContact O-CG 3.03Å; T29-K33 PolarHBondContact O-N 2.84Å
30V65.7Low62.9Low23 Ų2380.4 Ų80.414%0.13943%0.426CS..Hα-helixtrans-74.4-49.4173.9169.70000110.2L26 I27 E28 D32 K33 F34 I241 L259L26-V30 HydrophobicContact CD1-CG2 4.2Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.4Å; I27-V30 PolarHBondContact O-N 3.46Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 3.19Å; V30-D32 PolarHBondContact O-N 2.81Å; V30-K33 PolarHBondContact O-N 3.07Å; V30-F34 HydrophobicContact CG1-CD2 3.82Å; V30-F34 HydrophobicContact CG1-CE2 4.16Å; V30-F34 WeakPolarHBondContact O-CD2 3.46Å; V30-F34 PolarHBondContact O-N 3.02Å; V30-I241 HydrophobicContact CG1-CD1 4.4Å; V30-L259 HydrophobicContact CG2-CD2 4.18Å
31L68.1Low61.4Low61 Ų6183.2 Ų83.232%0.31944%0.438SS..Hα-helixtrans-60.9-45.9-179.3-66169.8000111.8I27 E28 K33 F34 F35 F280I27-L31 HydrophobicContact CG2-CD1 3.63Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 VanDerWaalsContact O-CG 3.26Å; I27-L31 WeakPolarHBondContact O-CG 3.19Å; I27-L31 PolarHBondContact O-N 2.89Å; E28-L31 PolarHBondContact O-N 3.03Å; L31-K33 PolarHBondContact O-N 3.49Å; L31-F34 PolarHBondContact O-N 3.04Å; L31-F35 HydrophobicContact CB-CD2 4.35Å; L31-F35 HydrophobicContact CD2-CD2 4.46Å; L31-F35 HydrophobicContact CD2-CE2 3.86Å; L31-F35 VanDerWaalsContact O-CD2 3.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.4Å; L31-F35 PolarHBondContact O-N 2.92Å; L31-F280 HydrophobicContact CD2-CE1 4.02Å; L31-F280 HydrophobicContact CD2-CZ 4.35Å
32D66Low59.5Low85 Ų8584.9 Ų84.946%0.45545%0.452SS..Hα-helixtrans-53-53.5172.4170.971.3000111E28 V30 F34 N36E28-D32 VanDerWaalsContact O-CB 3.27Å; E28-D32 WeakPolarHBondContact O-CB 3.33Å; E28-D32 PolarHBondContact O-N 3.25Å; V30-D32 PolarHBondContact O-N 2.81Å; D32-F34 VanDerWaalsContact C-N 3.28Å; D32-F34 PolarHBondContact O-N 3.04Å; D32-N36 VanDerWaalsContact O-CB 3.25Å; D32-N36 WeakPolarHBondContact O-CB 3.46Å; D32-N36 PolarHBondContact O-N 3.15Å; D32-N36 PolarHBondContact OD1-ND2 2.68Å
33K64.9Low57.9Low96 Ų9688 Ų8842%0.41748%0.476SS..Hα-helixtrans-64.3-29.3-179.3-74.5176.7-177.9179.50113.6T29 V30 L31 N37T29-K33 HydrophobicContact CG2-CD 4.29Å; T29-K33 WeakPolarHBondContact O-CB 3.11Å; T29-K33 WeakPolarHBondContact O-CD 3.28Å; T29-K33 VanDerWaalsContact O-CG 3.22Å; T29-K33 WeakPolarHBondContact O-CG 3.03Å; T29-K33 PolarHBondContact O-N 2.84Å; V30-K33 PolarHBondContact O-N 3.07Å; L31-K33 PolarHBondContact O-N 3.49Å; K33-N37 VanDerWaalsContact O-CB 3.26Å; K33-N37 WeakPolarHBondContact O-CB 3.44Å; K33-N37 PolarHBondContact O-ND2 2.89Å
34F56.3Low56.8Low80 Ų8092.9 Ų92.935%0.35151%0.509SS..Hα-helixtrans-81.1-48.6177.3-90.5-83.2000112.6V30 L31 D32 G38 L239 I241V30-F34 HydrophobicContact CG1-CD2 3.82Å; V30-F34 HydrophobicContact CG1-CE2 4.16Å; V30-F34 WeakPolarHBondContact O-CD2 3.46Å; V30-F34 PolarHBondContact O-N 3.02Å; L31-F34 PolarHBondContact O-N 3.04Å; D32-F34 VanDerWaalsContact C-N 3.28Å; D32-F34 PolarHBondContact O-N 3.04Å; F34-G38 PolarHBondContact O-N 3.28Å; F34-L239 HydrophobicContact CD1-CD2 4.38Å; F34-L239 HydrophobicContact CE1-CD2 3.66Å; F34-L239 HydrophobicContact CZ-CD2 4.1Å; F34-I241 HydrophobicContact CD2-CD1 4.11Å; F34-I241 HydrophobicContact CE1-CD1 4.28Å; F34-I241 HydrophobicContact CE2-CD1 3.35Å; F34-I241 HydrophobicContact CE2-CG1 3.94Å; F34-I241 HydrophobicContact CE2-CG2 4.49Å; F34-I241 HydrophobicContact CZ-CD1 3.46Å; F34-I241 VanDerWaalsContact CZ-CD1 3.46Å; F34-I241 HydrophobicContact CZ-CG1 3.8Å
35F57.6Low54.9Low129 Ų12995.7 Ų95.757%0.56652%0.522SS*.Hα-helixtrans-75.2-39.2-177.5-70.6-68.6000112.8L31 G38 W263 F280L31-F35 HydrophobicContact CB-CD2 4.35Å; L31-F35 HydrophobicContact CD2-CD2 4.46Å; L31-F35 HydrophobicContact CD2-CE2 3.86Å; L31-F35 VanDerWaalsContact O-CD2 3.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.4Å; L31-F35 PolarHBondContact O-N 2.92Å; F35-G38 PolarHBondContact O-N 3.4Å; F35-W263 HydrophobicContact CZ-CH2 4.32Å; F35-F280 HydrophobicContact CZ-CZ 4.37Å
36N57.5Low53.1Low108 Ų10898.9 Ų98.958%0.57854%0.537SS*.Hα-helixtrans-84.4-24.1-175.8-64.8-35000113.9D32 G38D32-N36 VanDerWaalsContact O-CB 3.25Å; D32-N36 WeakPolarHBondContact O-CB 3.46Å; D32-N36 PolarHBondContact O-N 3.15Å; D32-N36 PolarHBondContact OD1-ND2 2.68Å; N36-G38 VanDerWaalsContact C-N 3.34Å
37N53.7Low51.3Low81 Ų81108.5 Ų108.543%0.43357%0.572SS.*Hα-helixtrans-82.8-8.3169.6-64.7-58.8000113.6K33 A39 K40 M41K33-N37 VanDerWaalsContact O-CB 3.26Å; K33-N37 WeakPolarHBondContact O-CB 3.44Å; K33-N37 PolarHBondContact O-ND2 2.89Å; N37-A39 PolarHBondContact O-N 3.13Å; N37-A39 VanDerWaalsContact O-N 3.13Å; N37-K40 PolarHBondContact O-N 2.93Å; N37-M41 PolarHBondContact O-N 3.06Å
38G41.5Very low49.4Very low50 Ų50114.6 Ų114.652%0.51560%0.6SS.*G310 helixtrans-56.4-27.1172.800000113.3F34 F35 N36 K40F34-G38 PolarHBondContact O-N 3.28Å; F35-G38 PolarHBondContact O-N 3.4Å; N36-G38 VanDerWaalsContact C-N 3.34Å; G38-K40 PolarHBondContact O-N 3.09Å
39A41.4Very low47.6Very low96 Ų96114 Ų11479%0.79361%0.605SS**G310 helixtrans-75.6-0.1173.200000114.9N37N37-A39 PolarHBondContact O-N 3.13Å; N37-A39 VanDerWaalsContact O-N 3.13Å
40K45.6Very low45.7Very low175 Ų175121.3 Ų121.376%0.76164%0.636SS**G310 helixtrans-128.91.5-176.5-73.9-172.1177.7177.60115.3N37 G38 A42N37-K40 PolarHBondContact O-N 2.93Å; G38-K40 PolarHBondContact O-N 3.09Å; K40-A42 PolarHBondContact O-N 3.08Å
41M39.1Very low44Very low161 Ų161123.6 Ų123.679%0.79366%0.664SS**  trans-71.683.4162.8-71.7-168.1177.500109.1N37 V43N37-M41 PolarHBondContact O-N 3.06Å; M41-V43 PolarHBondContact O-N 3.32Å
42A32.6Very low42.3Very low88 Ų88125.8 Ų125.873%0.72768%0.684SS**  trans-56.5126.6160.600000107.6K40K40-A42 PolarHBondContact O-N 3.08Å
43V38Very low40.7Very low127 Ų127128.4 Ų128.477%0.7770%0.697SS**  trans-52.6129.4174.71780000107.8M41 E45M41-V43 PolarHBondContact O-N 3.32Å; V43-E45 PolarHBondContact O-N 3.36Å
44P41.6Very low39.1Very low116 Ų116129.2 Ų129.275%0.75371%0.712SS**  trans-59.7111.8172.725-32.5000107.6E46P44-E46 PolarHBondContact O-N 2.96Å
45E33.6Very low37.9Very low167 Ų167135.2 Ų135.278%0.7874%0.738SS**  trans-58.2114.6-176.2-174.6174.5-137.200108.6V43 R47V43-E45 PolarHBondContact O-N 3.36Å; E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.14Å
46E33Very low36.5Very low181 Ų181136.3 Ų136.385%0.84675%0.748SS**  trans-67.386.2-170.6-170.8178.5-135.100109.6P44 Q48P44-E46 PolarHBondContact O-N 2.96Å; E46-Q48 PolarHBondContact O-N 3.18Å
47R32.7Very low35.3Very low215 Ų215136.6 Ų136.681%0.81176%0.759SS**  trans-63.4107.2-179.9-60.5-159.4-137.7-101.78108.1E45 V49E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.14Å; R47-V49 PolarHBondContact O-N 3.37Å
48Q27.8Very low34.1Very low187 Ų187139.9 Ų139.987%0.87478%0.777SS**  trans-54.7110.1179.7-68.5-173-24.900110.2E46 E50E46-Q48 PolarHBondContact O-N 3.18Å; Q48-E50 PolarHBondContact O-N 3.19Å; Q48-E50 VanDerWaalsContact O-N 3.16Å
49V32.2Very low33.7Very low122 Ų122140.7 Ų140.774%0.73979%0.785SS**  trans-71109.3170.7176.50000107.3R47 G51R47-V49 PolarHBondContact O-N 3.37Å; V49-G51 PolarHBondContact O-N 3.07Å
50E31Very low33.1Very low200 Ų200145.9 Ų145.994%0.93579%0.79SS**THydrogen-bonded Turntrans-65.995.3-176.1-169.4170.9-174.200110.5Q48Q48-E50 PolarHBondContact O-N 3.19Å; Q48-E50 VanDerWaalsContact O-N 3.16Å
51G30.6Very low32.3Very low71 Ų71143.8 Ų143.873%0.73280%0.796SS**THydrogen-bonded Turntrans167.4-22.1-179.300000116.3V49V49-G51 PolarHBondContact O-N 3.07Å
52S30.8Very low32.1Very low106 Ų106145.5 Ų145.574%0.74180%0.799SS**  trans-84.3126.6-174.8-66.70000113.8
53I32.2Very low31.9Very low141 Ų141149.4 Ų149.472%0.72381%0.806SS**  trans-75.3126.7-178.1-60168.7000110.4F55I53-F55 PolarHBondContact O-N 3.22Å
54P31.8Very low31.6Very low113 Ų113146.8 Ų146.873%0.73480%0.804SS**  trans-74.5115.1176.829.1-33.5000111.6I56P54-I56 PolarHBondContact O-N 3.15Å
55F32.3Very low31Very low205 Ų205150.8 Ų150.890%0.89981%0.81SS**  trans-73.4115.9172.3-80-90.2000111.1I53I53-F55 PolarHBondContact O-N 3.22Å
56I26.9Very low30.9Very low152 Ų152151.5 Ų151.578%0.77982%0.818SS**  trans-81.7122.1175.9-59.6167.7000109.5P54P54-I56 PolarHBondContact O-N 3.15Å
57S33.5Very low30.7Very low114 Ų114148.1 Ų148.180%0.79782%0.821SS**  trans-106.897.5173.2-172.30000110.9G59S57-G59 VanDerWaalsContact C-N 3.34Å; S57-G59 PolarHBondContact O-N 2.75Å
58D27.2Very low30.7Very low151 Ų151140.8 Ų140.881%0.80781%0.813SS**  trans-7976-177.8-125-37.4000111.5
59G33.4Very low30.9Very low67 Ų67137.2 Ų137.269%0.69181%0.808SS**  trans-109.673-169.600000115.6S57 C61S57-G59 VanDerWaalsContact C-N 3.34Å; S57-G59 PolarHBondContact O-N 2.75Å; G59-C61 PolarHBondContact O-N 2.97Å; G59-C61 VanDerWaalsContact O-N 3.13Å
60K28.9Very low31Very low205 Ų205139.9 Ų139.989%0.89181%0.813SS**  trans-62.6110.4177.7-80.9171177.9153.70113.3
61C29.3Very low31Very low131 Ų131138.4 Ų138.489%0.88581%0.806SS**  trans-122153.9153.1-159.10000110.7G59G59-C61 PolarHBondContact O-N 2.97Å; G59-C61 VanDerWaalsContact O-N 3.13Å
62K35.2Very low31.3Very low197 Ų197142.5 Ų142.586%0.85781%0.811SS**  trans-102.9135.6-163.5-64.8175-178173.80112G64K62-G64 PolarHBondContact O-N 3.31Å
63I27.6Very low31.7Very low170 Ų170144.3 Ų144.387%0.87281%0.812SS**  trans-65.9118.9174.8-160.475.1000110.4
64G32Very low32Very low72 Ų72145.5 Ų145.574%0.74282%0.818SS**  trans-105.2114.2176.500000110.5K62K62-G64 PolarHBondContact O-N 3.31Å
65K29.8Very low32Very low199 Ų199147 Ų14787%0.86582%0.819SS**  trans-79.1122.9174.7-67.7-174.9177.9-173.80110.7
66L31.4Very low32.2Very low182 Ų182143 Ų14395%0.95381%0.814SS**  trans-137157.3150.6-74.3-179.9000108.8
67A29.1Very low32.6Very low111 Ų111143 Ų14392%0.91782%0.815SS**  trans-138.5161.2-170.300000111.8
68G31.1Very low32.8Very low61 Ų61140.8 Ų140.863%0.62980%0.804SS**  trans136.3107.8-170.200000107.5
69S33.4Very low33.1Very low112 Ų112141.9 Ų141.978%0.78380%0.804SS**  64.9123.988.864.80000111.7
70E33.9Very low33.5Very low178 Ų178147.9 Ų147.983%0.83281%0.814SS**  cis-148.9156.124.7-150.1146.598.700111.2
71Q31.2Very low33.8Very low169 Ų169143.7 Ų143.779%0.7981%0.806SS**  trans-135.4123.9172.9-85.1-169.3-30.900109.8
72D36.2Very low34Very low157 Ų157143 Ų14384%0.8480%0.798SS**  trans-124.493.5164.5-98.8-32.4000109
73N38.9Very low34.1Very low143 Ų143140.7 Ų140.777%0.76580%0.8SS**  trans-104.8136.9169.4-84-28.1000109.2L75N73-L75 PolarHBondContact O-N 3.38Å
74I38.1Very low34.6Very low167 Ų167137.9 Ų137.986%0.85679%0.791SS**  trans-77.5116-163.2-62.7171.6000112.7
75L33.2Very low35.1Very low144 Ų144140 Ų14075%0.75479%0.794SS**  trans1.5123.3153.9-169.777.3000119.1N73N73-L75 PolarHBondContact O-N 3.38Å
76P35.7Very low35.8Very low120 Ų120137.4 Ų137.478%0.77979%0.79SS**  trans-96.4139.1149.834.4-28.9000112.5
77N34.6Very low36.5Very low152 Ų152135.8 Ų135.881%0.81378%0.777SS**  trans-90153.9169.5-154.721.8000108.1
78A37.7Very low37.5Very low69 Ų69137.8 Ų137.857%0.5777%0.767SS**  cis-156.9164.611.200000112
79H35.2Very low38.1Very low174 Ų174141.9 Ų141.981%0.80677%0.77SS**  trans51.5103.7145.5-109.9-75.2000121
80E40.8Very low38.9Very low192 Ų192144.1 Ų144.190%0.89777%0.766SS**  trans-146.6146.3136-170161.4-153.300109.5
81T35.8Very low39.3Very low118 Ų118143.8 Ų143.872%0.72477%0.765SS**  trans-125.4119.7-175.3-45.50000110.7
82V33.7Very low39.7Very low117 Ų117139.3 Ų139.371%0.70976%0.763SS**  trans-76.3138.7-172.7173.40000113.5V84V82-V84 HydrophobicContact CG1-CG2 3.7Å
83T37.6Very low40Very low147 Ų147137.2 Ų137.290%0.90276%0.761SS**  trans-132152.5145.138.90000110.1
84V36.5Very low40.4Very low112 Ų112134.4 Ų134.468%0.67976%0.757SS**  trans-118.4142.8-160.7174.90000111.8V82V82-V84 HydrophobicContact CG1-CG2 3.7Å
85S43.4Very low40.8Very low117 Ų117133.9 Ų133.982%0.81876%0.756SS**  trans173158.5141.3-72.90000110.9
86D44.7Very low41.7Very low143 Ų143134.7 Ų134.777%0.76576%0.762SS**  cis-165.2177.2-48.2-144.7-33.4000109
87E46.9Very low42.1Very low149 Ų149134 Ų13470%0.69676%0.757SS**  trans72.8115.5161.8-60.4-163.6117.200123.1
88Q48Very low42.3Very low152 Ų152134.8 Ų134.871%0.7176%0.761SS**  trans65.8119.6133.1-63.5-171.762.100121
89E45.4Very low42.3Very low148 Ų148136.4 Ų136.469%0.69277%0.767SS**  61.1136.293.7-68.6-161.3-15200115.1
90K49.4Very low43Very low158 Ų158133.5 Ų133.569%0.68776%0.764SS**  cis-158.9172.633.4-149.3174.4-175.480.80115.1
91E41.7Very low42.8Very low172 Ų172132.8 Ų132.880%0.80476%0.761SS**  trans-47.1161.7-179.3-53.7159.4115.800119
92G41.2Very low43.2Very low74 Ų74131.9 Ų131.976%0.76376%0.759SS**  trans-179.288.9166.900000117.6
93S42.6Very low43.5Very low114 Ų114132.6 Ų132.680%0.79776%0.759SS**  trans-1.4118.2156.5-157.50000118
94A46.7Very low43.7Very low83 Ų83133.5 Ų133.569%0.68675%0.753SS**  69.4119.865.400000115.8
95D46.3Very low43.7Very low156 Ų156134.6 Ų134.683%0.83476%0.76SS**  trans-174.7105.9133-100.8-20.6000115
96N51Low43.4Very low161 Ų161134.3 Ų134.386%0.86176%0.756SS**  trans17.7165145.6-82.4-24000126.4
97P45.1Very low43.2Very low106 Ų106135.9 Ų135.969%0.68876%0.763SS**  trans-118.2177.7-156.344.3-34.8000116.1
98L39.7Very low42.5Very low169 Ų169133.6 Ų133.689%0.88576%0.763SS**  trans-158.6161.2134.2-134.772.4000112.7
99S36.7Very low42.2Very low102 Ų102131.8 Ų131.871%0.71377%0.765SS**  trans-125.7-166.7170.6-42.70000107.8
100P48.9Very low42Very low114 Ų114130.3 Ų130.374%0.7477%0.768SS**  cis-126.2-158.9-19.340.3-22.3000110.9
101E37.4Very low41.1Very low177 Ų177130.1 Ų130.183%0.82777%0.773SS**  174.1172116.3-164.1152.7127.400111.9
102S44.1Very low41.3Very low98 Ų98127.4 Ų127.469%0.68577%0.773SS**  trans-62.8-178.2-178.673.40000115.5
103N40.3Very low41Very low133 Ų133131 Ų13171%0.71178%0.775SS**  cis-152.7-167.911.153.92000109.4
104E42.9Very low40.6Very low165 Ų165133 Ų13377%0.77178%0.777SS**  cis-139.7-169.98-66.1-166.3138.900111.9
105T34.5Very low40.2Very low136 Ų136137 Ų13783%0.83478%0.779SS**  trans-166.8155.7176.5-75.90000108.6
106P38.7Very low39.5Very low111 Ų111136.1 Ų136.172%0.72177%0.773SS**  cis-122.6-173.9-4.939.1-23.4000114.1
107L40.1Very low38.4Very low175 Ų175134.4 Ų134.492%0.91677%0.769SS**  trans-166.5163.5145.5-106.9162.5000112.3
108S31.6Very low37.8Very low101 Ų101134.5 Ų134.571%0.70677%0.772SS**  trans-141.8179.8-169.9-47.10000110.7
109P42.9Very low37.2Very low114 Ų114135.6 Ų135.674%0.7477%0.772SS**  cis-107.6-95.7-7.218.95.7000112.7
110P40.3Very low37Very low118 Ų118140 Ų14077%0.76678%0.782SS**  cis-106.5-142.12.444-33.9000113.1
111I30.9Very low35.8Very low153 Ų153141.8 Ų141.879%0.78579%0.785SS**  trans-133.8143.4178.4-46.6168.6000108.4
112S46.3Very low35.3Very low115 Ų115144.7 Ų144.780%0.80479%0.79SS**  trans-158.7112.8161.8610000112.7
113D33.5Very low34.3Very low149 Ų149144.4 Ų144.480%0.79779%0.788SS**  trans-72.8139163.6-51.7-82.6000110
114D34.5Very low33.7Very low158 Ų158145.6 Ų145.685%0.84579%0.794SS**  -179.4170111-137.9-27.3000113.1
115K37.9Very low32.9Very low167 Ų167147.1 Ų147.173%0.72679%0.792SS**  trans82.5118155.6-88.6-167.5172.9-176.30123.1
116L33.2Very low32.6Very low137 Ų137148.1 Ų148.172%0.71779%0.792SS**  trans75.597.4142.9-55.6-179.4000117.7
117T26.8Very low32.1Very low124 Ų124149 Ų14976%0.76180%0.796SS**  98.489.356.756.90000114.6
118S33.6Very low31.8Very low108 Ų108143.1 Ų143.176%0.75578%0.777SS**  trans-158.1104.1133.650.50000107.3
119E27.1Very low31.8Very low192 Ų192146.7 Ų146.790%0.89778%0.783SS**  47.38292.5-67.1-161.8120.300114.2
120Q31.2Very low31.2Very low196 Ų196149.2 Ų149.292%0.91679%0.785SS**  -155.1116.3108.5-104.1-179.815.600111.2
121N24.9Very low30.9Very low150 Ų150148.8 Ų148.880%0.80278%0.776SS**  trans-78.7129.2167.7-90.2-69.7000109.3
122Y26.2Very low30.9Very low238 Ų238148.5 Ų148.593%0.93377%0.765SS**  trans-144.2117.5133.8-95.7-69.2000110
123S23.8Very low30.3Very low92 Ų92149.4 Ų149.464%0.64376%0.755SS**  trans-93.5118.6178.6167.60000109.9
124L26.3Very low30.7Very low158 Ų158150 Ų15083%0.82775%0.75SS**  trans-125.481.4163.8-160.6127.1000109.6
125R27.4Very low31Very low197 Ų197144.8 Ų144.874%0.74373%0.729SS**  trans-86.5151171.5-63.7-176.2-178.4-94.10.2110.1V127R125-V127 PolarHBondContact O-N 2.98Å
126D27.9Very low31.2Very low157 Ų157138.2 Ų138.284%0.8470%0.704SS**SBendtrans61.641.8151.8-47.7-28.5000118.4
127V27.7Very low31.7Very low130 Ų130135.7 Ų135.779%0.78870%0.695SS**SBendtrans-134.5116.2160.7-173.50000111.3R125R125-V127 PolarHBondContact O-N 2.98Å
128G33.2Very low32.4Very low51 Ų51137.6 Ų137.653%0.52670%0.696SS.*SBendtrans122.1-30.1159.300000118E130 N131G128-E130 PolarHBondContact O-N 3.49Å; G128-N131 PolarHBondContact O-N 2.94Å
129Q31.7Very low32.9Very low176 Ų176138.7 Ų138.782%0.82269%0.693SS**THydrogen-bonded Turntrans-66.4-7.4-168.3-156.8-179.76.400115.4W132Q129-W132 PolarHBondContact O-NE1 3.49Å
130E31.1Very low33.8Very low167 Ų167134 Ų13478%0.7867%0.674SS**THydrogen-bonded Turntrans-97.8-14-178.7-154.2174.6-157.500114.3G128G128-E130 PolarHBondContact O-N 3.49Å
131N34.7Very low34Very low109 Ų109128.8 Ų128.858%0.58365%0.646SS**THydrogen-bonded Turntrans-90.3-23.8-174.9-87.5-24.6000115G128 K133 K134G128-N131 PolarHBondContact O-N 2.94Å; N131-K133 VanDerWaalsContact C-N 3.31Å; N131-K133 PolarHBondContact O-N 2.98Å; N131-K134 PolarHBondContact O-N 3.16Å
132W29.6Very low34.7Very low147 Ų147126.7 Ų126.756%0.55764%0.635SS**Hα-helixtrans-61.2-38.1-176.365.7-89.1000112.8Q129 K134 A135Q129-W132 PolarHBondContact O-NE1 3.49Å; W132-K134 PolarHBondContact O-N 3.34Å; W132-A135 PolarHBondContact O-N 3.2Å
133K34.5Very low35.5Very low135 Ų135118.7 Ų118.759%0.58761%0.608SS**Hα-helixtrans-61.2-14.8176.3-66.5-162.9173.5-163.60114.6N131N131-K133 VanDerWaalsContact C-N 3.31Å; N131-K133 PolarHBondContact O-N 2.98Å
134K41.5Very low36.4Very low162 Ų162117.1 Ų117.170%0.70460%0.595SS**Hα-helixtrans-93.4-19.7175.5-67174.7-177.4162.80113.4N131 W132N131-K134 PolarHBondContact O-N 3.16Å; W132-K134 PolarHBondContact O-N 3.34Å
135A40.3Very low37Very low48 Ų48110.4 Ų110.440%0.39756%0.56SS.*Hα-helixtrans-82.8-31.1-178.200000112.8W132W132-A135 PolarHBondContact O-N 3.2Å
136C41.7Very low37.7Very low29 Ų29106.2 Ų106.220%0.19655%0.553CS.*SBendtrans-127.298.2-179.7-77.40000110.4E138C136-E138 PolarHBondContact O-N 3.24Å
137P44.8Very low38.6Very low84 Ų84105 Ų10555%0.54554%0.542SS..  trans-63.1131.9173.126-32.9000110.6N139P137-N139 PolarHBondContact O-N 3.41Å
138E41.3Very low39.3Very low164 Ų164100.8 Ų100.877%0.76652%0.515SS*.  trans-92.370.3-171.8-169.9167.7-144.800110.2C136C136-E138 PolarHBondContact O-N 3.24Å
139N44.5Very low39.6Very low131 Ų131100.5 Ų100.570%0.70150%0.502SS*.  trans-150.5153.8177.650.857.9000115.4P137 W141P137-N139 PolarHBondContact O-N 3.41Å; N139-W141 PolarHBondContact O-N 3.15Å
140N46.4Very low39.9Very low93 Ų9395.6 Ų95.650%0.49749%0.486SS..  trans65.415.4166.5-156.159000118.7N142 N143 T144N140-N142 PolarHBondContact O-N 3.41Å; N140-N143 PolarHBondContact ND2-ND2 3.28Å; N140-N143 PolarHBondContact O-N 3.39Å; N140-N143 WeakPolarHBondContact OD1-CB 3.23Å; N140-N143 PolarHBondContact OD1-ND2 3.06Å; N140-T144 PolarHBondContact O-N 3.06Å; N140-T144 PolarHBondContact O-OG1 3.27Å
141W34.5Very low40.1Very low86 Ų8691 Ų9133%0.32647%0.466SS..Hα-helixtrans-50.1-55.7179.2178.4-111.3000114.1N139 N143 T144 V145 F240 S242 I258N139-W141 PolarHBondContact O-N 3.15Å; W141-N143 PolarHBondContact O-N 3.4Å; W141-N143 VanDerWaalsContact O-N 3.15Å; W141-T144 PolarHBondContact O-N 3.31Å; W141-V145 HydrophobicContact CD2-CG2 3.93Å; W141-V145 HydrophobicContact CE3-CG2 4.4Å; W141-V145 HydrophobicContact CH2-CG2 3.9Å; W141-V145 HydrophobicContact CZ2-CG2 3.33Å; W141-V145 HydrophobicContact CZ3-CG2 4.4Å; W141-V145 PolarHBondContact O-N 3.29Å; W141-V145 VanDerWaalsContact O-N 3.08Å; W141-F240 HydrophobicContact CZ2-CE1 4.44Å; W141-S242 WeakPolarHBondContact CZ2-OG 3.44Å; W141-I258 HydrophobicContact CH2-CD1 3.97Å; W141-I258 HydrophobicContact CH2-CG1 4.15Å; W141-I258 HydrophobicContact CH2-CG2 4.16Å; W141-I258 HydrophobicContact CZ3-CD1 3.9Å; W141-I258 HydrophobicContact CZ3-CG1 4.33Å
142N39.1Very low40.3Very low106 Ų10686.9 Ų86.957%0.56745%0.446SS*.Hα-helixtrans-57.9-34.4-174.9-60.813.8000112.7N140 N146N140-N142 PolarHBondContact O-N 3.41Å; N142-N146 WeakPolarHBondContact O-CB 3.29Å; N142-N146 PolarHBondContact O-N 3.25Å; N142-N146 PolarHBondContact O-ND2 2.91Å; N142-N146 PolarHBondContact O-OD1 3.06Å
143N43.2Very low40.6Very low71 Ų7184 Ų8438%0.3844%0.44SS..Hα-helixtrans-69.1-42.4178.7-177.60.1000111.5N140 W141 Q147N140-N143 PolarHBondContact ND2-ND2 3.28Å; N140-N143 PolarHBondContact O-N 3.39Å; N140-N143 WeakPolarHBondContact OD1-CB 3.23Å; N140-N143 PolarHBondContact OD1-ND2 3.06Å; W141-N143 PolarHBondContact O-N 3.4Å; W141-N143 VanDerWaalsContact O-N 3.15Å; N143-Q147 WeakPolarHBondContact O-CG 3.19Å; N143-Q147 PolarHBondContact O-N 3.08Å; N143-Q147 VanDerWaalsContact O-N 3.07Å; N143-Q147 PolarHBondContact OD1-NE2 3.18Å
144T42.1Very low40.7Very low58 Ų5884.7 Ų84.736%0.35644%0.439SS..Hα-helixtrans-63.4-48.1176.3-55.10000111.2N140 W141 Q147 I148N140-T144 PolarHBondContact O-N 3.06Å; N140-T144 PolarHBondContact O-OG1 3.27Å; W141-T144 PolarHBondContact O-N 3.31Å; T144-Q147 PolarHBondContact O-N 2.92Å; T144-I148 HydrophobicContact CG2-CD1 3.95Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 2.91Å
145V39.5Very low40.5Very low17 Ų1781.8 Ų81.810%0.10343%0.431CS..Hα-helixtrans-63-46.8177.3177.70000111.2W141 Q147 I148 V149 F240W141-V145 HydrophobicContact CD2-CG2 3.93Å; W141-V145 HydrophobicContact CE3-CG2 4.4Å; W141-V145 HydrophobicContact CH2-CG2 3.9Å; W141-V145 HydrophobicContact CZ2-CG2 3.33Å; W141-V145 HydrophobicContact CZ3-CG2 4.4Å; W141-V145 PolarHBondContact O-N 3.29Å; W141-V145 VanDerWaalsContact O-N 3.08Å; V145-Q147 PolarHBondContact O-N 2.9Å; V145-Q147 VanDerWaalsContact O-N 3.15Å; V145-I148 PolarHBondContact O-N 3.33Å; V145-V149 HydrophobicContact CG1-CG2 3.96Å; V145-V149 WeakPolarHBondContact O-CG2 3.27Å; V145-V149 PolarHBondContact O-N 2.96Å; V145-F240 HydrophobicContact CG1-CE1 3.78Å; V145-F240 HydrophobicContact CG1-CE2 4.29Å; V145-F240 HydrophobicContact CG1-CZ 3.67Å; V145-F240 HydrophobicContact CG2-CE1 4.25Å; V145-F240 HydrophobicContact CG2-CZ 4.17Å
146N43.1Very low40.4Very low109 Ų10983.8 Ų83.858%0.58343%0.432SS*.Hα-helixtrans-67.4-13.6-179.8-66.8-0.1000113.7N142 P150N142-N146 WeakPolarHBondContact O-CB 3.29Å; N142-N146 PolarHBondContact O-N 3.25Å; N142-N146 PolarHBondContact O-ND2 2.91Å; N142-N146 PolarHBondContact O-OD1 3.06Å; N146-P150 WeakPolarHBondContact O-CD 3.31Å; N146-P150 VanDerWaalsContact O-CG 3.28Å; N146-P150 WeakPolarHBondContact O-CG 3.47Å
147Q46.3Very low40.2Very low131 Ų13185.5 Ų85.561%0.61246%0.455SS*.Hα-helixtrans-92.6-29.7168.1-75.5-171.368.700113.5N143 T144 V145 N151N143-Q147 WeakPolarHBondContact O-CG 3.19Å; N143-Q147 PolarHBondContact O-N 3.08Å; N143-Q147 VanDerWaalsContact O-N 3.07Å; N143-Q147 PolarHBondContact OD1-NE2 3.18Å; T144-Q147 PolarHBondContact O-N 2.92Å; V145-Q147 PolarHBondContact O-N 2.9Å; V145-Q147 VanDerWaalsContact O-N 3.15Å; Q147-N151 WeakPolarHBondContact O-CB 3.36Å
148I41.6Very low39.6Very low43 Ų4389 Ų8922%0.22146%0.464CS..Hα-helixtrans-71.6-48.1175.4-68.6166000110.6T144 V145 N151 V152 I260T144-I148 HydrophobicContact CG2-CD1 3.95Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 2.91Å; V145-I148 PolarHBondContact O-N 3.33Å; I148-N151 PolarHBondContact O-N 3.3Å; I148-N151 VanDerWaalsContact O-N 3.08Å; I148-V152 HydrophobicContact CG2-CG2 3.89Å; I148-V152 WeakPolarHBondContact O-CG2 3.49Å; I148-V152 PolarHBondContact O-N 2.88Å; I148-I260 HydrophobicContact CG2-CD1 4Å
149V39.2Very low39.2Very low44 Ų4486.2 Ų86.227%0.26746%0.458SS..Hα-helixtrans-54.8-53.3-173.4167.40000112.8V145 N151 I153V145-V149 HydrophobicContact CG1-CG2 3.96Å; V145-V149 WeakPolarHBondContact O-CG2 3.27Å; V145-V149 PolarHBondContact O-N 2.96Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.47Å; V149-I153 HydrophobicContact CG1-CD1 3.74Å; V149-I153 WeakPolarHBondContact O-CB 3.41Å; V149-I153 WeakPolarHBondContact O-CD1 3.27Å; V149-I153 VanDerWaalsContact O-CG1 3.23Å; V149-I153 WeakPolarHBondContact O-CG1 3.36Å; V149-I153 PolarHBondContact O-N 3.36Å; V149-I153 VanDerWaalsContact O-N 3.09Å
150P39.3Very low38.5Very low73 Ų7386.4 Ų86.447%0.47446%0.455SS..Hα-helixtrans-67.3-28.1179-19.233000113.3N146 R154N146-P150 WeakPolarHBondContact O-CD 3.31Å; N146-P150 VanDerWaalsContact O-CG 3.28Å; N146-P150 WeakPolarHBondContact O-CG 3.47Å; P150-R154 VanDerWaalsContact O-CB 3.22Å; P150-R154 WeakPolarHBondContact O-CB 3.44Å; P150-R154 PolarHBondContact O-N 2.9Å
151N35.8Very low37.6Very low70 Ų7088.7 Ų88.737%0.37447%0.472SS..Hα-helixtrans-78.1-38.9-175.6-155.423.5000111.3Q147 I148 V149 R154 N155Q147-N151 WeakPolarHBondContact O-CB 3.36Å; I148-N151 PolarHBondContact O-N 3.3Å; I148-N151 VanDerWaalsContact O-N 3.08Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.47Å; N151-R154 PolarHBondContact OD1-NH2 2.88Å; N151-N155 WeakPolarHBondContact O-CB 3.37Å; N151-N155 PolarHBondContact O-N 2.94Å; N151-N155 PolarHBondContact O-ND2 2.9Å; N151-N155 PolarHBondContact O-OD1 3.07Å
152V37.3Very low37.3Very low24 Ų2493 Ų9315%0.14549%0.49CS..Hα-helixtrans-63.9-48.6169.3174.60000110.2I148 R154 N155 H156 F262I148-V152 HydrophobicContact CG2-CG2 3.89Å; I148-V152 WeakPolarHBondContact O-CG2 3.49Å; I148-V152 PolarHBondContact O-N 2.88Å; V152-R154 PolarHBondContact O-N 3.39Å; V152-N155 PolarHBondContact O-N 3.43Å; V152-H156 PolarHBondContact O-CD2 2.96Å; V152-H156 PolarHBondContact O-N 2.94Å; V152-F262 HydrophobicContact CB-CZ 4.36Å; V152-F262 HydrophobicContact CG1-CE2 3.82Å; V152-F262 HydrophobicContact CG1-CZ 3.75Å
153I36.3Very low37Very low87 Ų8794.8 Ų94.845%0.44650%0.499SS..Hα-helixtrans-57.9-46.4178.1-69.4168.1000111.5V149 H156 G157V149-I153 HydrophobicContact CG1-CD1 3.74Å; V149-I153 WeakPolarHBondContact O-CB 3.41Å; V149-I153 WeakPolarHBondContact O-CD1 3.27Å; V149-I153 VanDerWaalsContact O-CG1 3.23Å; V149-I153 WeakPolarHBondContact O-CG1 3.36Å; V149-I153 PolarHBondContact O-N 3.36Å; V149-I153 VanDerWaalsContact O-N 3.09Å; I153-H156 PolarHBondContact O-N 2.83Å; I153-G157 PolarHBondContact O-N 3.07Å; I153-G157 VanDerWaalsContact O-N 3.14Å
154R36.9Very low36.4Very low149 Ų149100.3 Ų100.356%0.56253%0.525SS*.Hα-helixtrans-61-48.3177.5178174.561.3-176-2.8112.2P150 N151 V152 H156 G157P150-R154 VanDerWaalsContact O-CB 3.22Å; P150-R154 WeakPolarHBondContact O-CB 3.44Å; P150-R154 PolarHBondContact O-N 2.9Å; N151-R154 PolarHBondContact OD1-NH2 2.88Å; V152-R154 PolarHBondContact O-N 3.39Å; R154-H156 PolarHBondContact O-N 2.93Å; R154-G157 PolarHBondContact O-N 2.93Å
155N36.5Very low35.9Very low100 Ų100100.2 Ų100.254%0.53554%0.535SS..Hα-helixtrans-67.1-17.9-176.4-64.9-7000113.1N151 V152N151-N155 WeakPolarHBondContact O-CB 3.37Å; N151-N155 PolarHBondContact O-N 2.94Å; N151-N155 PolarHBondContact O-ND2 2.9Å; N151-N155 PolarHBondContact O-OD1 3.07Å; V152-N155 PolarHBondContact O-N 3.43Å
156H39.8Very low36.1Very low91 Ų91104.6 Ų104.642%0.42157%0.566SS.*Hα-helixtrans-95.5-9.9171.1-64.1-52.7000114.1V152 I153 R154V152-H156 PolarHBondContact O-CD2 2.96Å; V152-H156 PolarHBondContact O-N 2.94Å; I153-H156 PolarHBondContact O-N 2.83Å; R154-H156 PolarHBondContact O-N 2.93Å
157G35.8Very low35.5Very low65 Ų65109.3 Ų109.367%0.6758%0.576SS**Hα-helixtrans-81.3-13177.300000114.5I153 R154I153-G157 PolarHBondContact O-N 3.07Å; I153-G157 VanDerWaalsContact O-N 3.14Å; R154-G157 PolarHBondContact O-N 2.93Å
158E32.7Very low35.1Very low156 Ų156109.4 Ų109.473%0.72958%0.581SS**THydrogen-bonded Turntrans-100.53.6-179.2-64.6-178.8-178.300113.3E160E158-E160 PolarHBondContact O-N 3.36Å
159T32.7Very low35.2Very low107 Ų107114.7 Ų114.766%0.65661%0.609SS**SBendtrans-69.3113.6172.6-55.30000110.1V161T159-V161 PolarHBondContact O-N 3.18Å
160E30.1Very low35.3Very low134 Ų134116.6 Ų116.663%0.62663%0.63SS**  trans-53.4129.9-172.2-59-178128.500113.6E158 Y162E158-E160 PolarHBondContact O-N 3.36Å; E160-Y162 VanDerWaalsContact C-N 3.29Å; E160-Y162 HydrophobicContact CB-CD2 3.94Å; E160-Y162 HydrophobicContact CB-CE2 3.6Å; E160-Y162 HydrophobicContact CG-CE2 4.37Å; E160-Y162 PolarHBondContact O-N 3.31Å; E160-Y162 WeakPolarHBondContact OE2-CE2 3.26Å; E160-Y162 VanDerWaalsContact OE2-CZ 3.25Å; E160-Y162 PolarHBondContact OE2-OH 2.71Å
161V28.5Very low35.6Very low142 Ų142122 Ų12286%0.86165%0.649SS**  trans-73.884.3172.6-177.70000109.2T159 N163T159-V161 PolarHBondContact O-N 3.18Å; V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 3.38Å
162Y28.2Very low35.7Very low177 Ų177125 Ų12569%0.69467%0.665SS**  trans-66.888.9167.6-80.4-82000109.9E160 M164E160-Y162 VanDerWaalsContact C-N 3.29Å; E160-Y162 HydrophobicContact CB-CD2 3.94Å; E160-Y162 HydrophobicContact CB-CE2 3.6Å; E160-Y162 HydrophobicContact CG-CE2 4.37Å; E160-Y162 PolarHBondContact O-N 3.31Å; E160-Y162 WeakPolarHBondContact OE2-CE2 3.26Å; E160-Y162 VanDerWaalsContact OE2-CZ 3.25Å; E160-Y162 PolarHBondContact OE2-OH 2.71Å; Y162-M164 PolarHBondContact O-N 2.92Å
163N32.7Very low35.9Very low142 Ų142128.6 Ų128.676%0.75969%0.691SS**  trans-52.3103.7175.3175.422.6000110.9V161 G165V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 3.38Å; N163-G165 PolarHBondContact O-N 2.85Å; N163-G165 PolarHBondContact OD1-N 3.42Å
164M30.2Very low36.2Very low188 Ų188131.2 Ų131.293%0.92671%0.706SS**  trans-74.760.5173.4-74.6-171.6-88.700111.4Y162 S166Y162-M164 PolarHBondContact O-N 2.92Å; M164-S166 PolarHBondContact O-N 2.84Å
165G31.9Very low36.1Very low56 Ų56132.3 Ų132.358%0.57772%0.717SS**  trans-67.2116.8173.600000111N163 R167N163-G165 PolarHBondContact O-N 2.85Å; N163-G165 PolarHBondContact OD1-N 3.42Å; G165-R167 PolarHBondContact O-N 3.27Å
166S43Very low36.1Very low108 Ų108136.1 Ų136.176%0.75574%0.736SS**  trans-66.3115.3-179.1165.90000112.5M164M164-S166 PolarHBondContact O-N 2.84Å
167R30Very low36.1Very low209 Ų209136.1 Ų136.179%0.78975%0.746SS**  trans41.3113.3143.9-61.617260.1143.5-0.4117.4G165G165-R167 PolarHBondContact O-N 3.27Å
168N38.1Very low36.5Very low132 Ų132144.2 Ų144.271%0.70676%0.758SS**  -175.8162.8104.6-87.2-19.7000112.4
169D43.2Very low36.9Very low154 Ų154145.4 Ų145.482%0.82476%0.76SS**  trans72.1134.8158-54.6-29.3000123
170A41.8Very low37.8Very low84 Ų84147.9 Ų147.969%0.69477%0.769SS**  trans73.983.6150.600000122.5
171H45.2Very low38.5Very low188 Ų188147.9 Ų147.987%0.8777%0.769SS**  61.8122.2126.4-66.4-71000124.1
172N38.9Very low39.1Very low133 Ų133148.8 Ų148.871%0.71176%0.762SS**  7697125-172.780.3000121.9
173S41.8Very low39.8Very low99 Ų99148.3 Ų148.369%0.69277%0.771SS**  173.2130.8117.846.60000108.1
174D41.5Very low40.3Very low142 Ų142150.7 Ų150.776%0.75978%0.775SS**  56.1134.777.7-54.4-32.2000113
175E35.7Very low40.9Very low171 Ų171147.2 Ų147.280%0.79977%0.766SS**  cis-164.5135-8.7171-170.6175.900107.3
176I37.1Very low41.4Very low181 Ų181150.7 Ų150.793%0.92878%0.776SS**  trans-153.5131.7148.936172.2000111.1
177S38.7Very low40.8Very low90 Ų90154.2 Ų154.263%0.62978%0.781SS**  trans-123.5144.2175173.70000109.1
178Y44Very low41.5Very low236 Ų236149.8 Ų149.893%0.92578%0.782SS**  trans-136.4145167.6-131-91.3000111.3
179K42.2Very low41.4Very low181 Ų181151.8 Ų151.879%0.78779%0.793SS**  trans-134.9133.6-169.4-81.3-91.9-170.6172.50110.3
180D51.6Low41.3Very low158 Ų158148.1 Ų148.185%0.84579%0.791SS**  trans-162.195157.5-139.82000105.6
181E44.6Very low41Very low134 Ų134151.4 Ų151.463%0.62680%0.797SS**  67.699.974.5-170.695.9-130.200113.7
182K40.1Very low40.5Very low162 Ų162151.1 Ų151.170%0.70480%0.796SS**  trans42.2129.5153.6-64.1175.1-174.2133.40120.4
183N43.3Very low40.1Very low166 Ų166151.9 Ų151.989%0.88879%0.793SS**  -157.1135.6101.3-92.2-44.4000113.4
184K43.4Very low39.5Very low192 Ų192152.8 Ų152.884%0.83580%0.799SS**  trans-155.4149.7171.9-96.8-79.8-170.61760103.9
185P42.5Very low39.2Very low115 Ų115151.5 Ų151.575%0.74779%0.792SS**  cis-127.5-151.147.722.93.7000110.6
186V42.8Very low38.8Very low129 Ų129147.8 Ų147.878%0.78279%0.791SS**  cis-147.9157.121.5170.30000109.7
187E31.3Very low38.5Very low183 Ų183146.1 Ų146.186%0.85578%0.782SS**  trans-88.3149.1173.8-64.6159145.900111.6
188S43.1Very low38Very low116 Ų116150.1 Ų150.181%0.81180%0.795SS**  trans-145.7103.5168.362.60000111.4
189D37.2Very low37.4Very low174 Ų174146.3 Ų146.393%0.9379%0.79SS**  trans-66.8145.1164.6-62.4-52.9000110.2
190G40.2Very low36.7Very low76 Ų76144.4 Ų144.478%0.78479%0.789SS**  trans-178.782.4-173.800000112.2
191D36.6Very low35.6Very low153 Ų153141.1 Ų141.182%0.81878%0.784SS**  trans-43.5149.3-171.4-70.3-60000117.9
192Q34.4Very low35Very low182 Ų182141.8 Ų141.885%0.8579%0.792SS**  trans64.4101.5138.7-173.8-178.1-14.400118.2
193K30.8Very low34.7Very low150 Ų150139.1 Ų139.165%0.65279%0.793SS**  178.3126.694.2-173.5174176.8-122.50112.2D195K193-D195 WeakPolarHBondContact CE-OD1 3.49Å; K193-D195 IonicContact NZ-OD1 2.62Å; K193-D195 PolarHBondContact NZ-OD1 2.9Å; K193-D195 IonicContact NZ-OD2 2.84Å; K193-D195 PolarHBondContact NZ-OD2 2.92Å; K193-D195 PolarHBondContact O-N 3.21Å
194S28.6Very low34.3Very low117 Ų117135.5 Ų135.582%0.81878%0.779SS**  trans-87.594.4171.256.50000111.2A196S194-A196 PolarHBondContact O-N 3.01Å
195D34.4Very low33.7Very low115 Ų115131.5 Ų131.562%0.61578%0.775SS**  trans-82.2105.5167.6-80.9-32.9000109.7K193 I197K193-D195 WeakPolarHBondContact CE-OD1 3.49Å; K193-D195 IonicContact NZ-OD1 2.62Å; K193-D195 PolarHBondContact NZ-OD1 2.9Å; K193-D195 IonicContact NZ-OD2 2.84Å; K193-D195 PolarHBondContact NZ-OD2 2.92Å; K193-D195 PolarHBondContact O-N 3.21Å; D195-I197 PolarHBondContact O-N 2.98Å
196A28.1Very low33.4Very low94 Ų94132.8 Ų132.878%0.77777%0.766SS**  trans-70.7114.4-174.700000111.4S194 L198S194-A196 PolarHBondContact O-N 3.01Å; A196-L198 PolarHBondContact O-N 2.95Å
197I31.7Very low32.8Very low145 Ų145134.5 Ų134.574%0.74477%0.77SS**  trans-75.992.5172.3-57.1177.9000108.3D195 L199D195-I197 PolarHBondContact O-N 2.98Å; I197-L199 HydrophobicContact CG2-CD1 3.96Å; I197-L199 HydrophobicContact CG2-CG 3.86Å; I197-L199 PolarHBondContact O-N 2.91Å; I197-L199 VanDerWaalsContact O-N 3.16Å
198L27.2Very low32.8Very low174 Ų174130.6 Ų130.691%0.91175%0.754SS**  trans-67.6103.5159.8-72.9169.8000107.8A196A196-L198 PolarHBondContact O-N 2.95Å
199L30.5Very low32.2Very low156 Ų156130.3 Ų130.382%0.81775%0.752SS**  trans-96.1146.5169.7-101.4163.5000110.2I197I197-L199 HydrophobicContact CG2-CD1 3.96Å; I197-L199 HydrophobicContact CG2-CG 3.86Å; I197-L199 PolarHBondContact O-N 2.91Å; I197-L199 VanDerWaalsContact O-N 3.16Å
200D28.9Very low31.9Very low141 Ų141127 Ų12775%0.75474%0.742SS**  trans-75.1156.5-160.7-146.8-17.2000113.6D202D200-D202 VanDerWaalsContact C-N 3.34Å; D200-D202 PolarHBondContact O-N 3.28Å
201A28.5Very low31.5Very low89 Ų89130 Ų13074%0.73674%0.74SS**SBendtrans-82.6-4.2-167.500000115S203A201-S203 VanDerWaalsContact C-N 3.26Å; A201-S203 PolarHBondContact O-N 3.22Å
202D31.9Very low31.2Very low149 Ų149131.8 Ų131.880%0.79774%0.744SS**  trans-78.863.7-177-77.9-11.7000113D200D200-D202 VanDerWaalsContact C-N 3.34Å; D200-D202 PolarHBondContact O-N 3.28Å
203S34Very low30.9Very low105 Ų105129.5 Ų129.573%0.73474%0.738SS**  trans-74.8123.5164.3-74.60000110.5A201 S205A201-S203 VanDerWaalsContact C-N 3.26Å; A201-S203 PolarHBondContact O-N 3.22Å; S203-S205 PolarHBondContact O-N 3.22Å
204P34.3Very low31Very low90 Ų90131.1 Ų131.158%0.58475%0.752SS**  trans-66.4130.2179.127.3-34.1000110.6Y206P204-Y206 PolarHBondContact O-N 3.46Å; P204-Y206 VanDerWaalsContact O-N 3.07Å
205S30.8Very low31.2Very low109 Ų109131.4 Ų131.476%0.76275%0.745SS**  trans-69.9104.2176.144.10000110.5S203 L207S203-S205 PolarHBondContact O-N 3.22Å; S205-L207 PolarHBondContact O-N 3.47Å
206Y37Very low30.9Very low141 Ų141134 Ų13455%0.55375%0.753SS**  trans-63.799.7177.4-62-77.1000110.9P204 I208P204-Y206 PolarHBondContact O-N 3.46Å; P204-Y206 VanDerWaalsContact O-N 3.07Å; Y206-I208 PolarHBondContact O-N 3.36Å
207L28.7Very low31.1Very low166 Ų166137.8 Ų137.887%0.86975%0.752SS**  trans-67.896.2173.1-75.6171.9000110S205 S209S205-L207 PolarHBondContact O-N 3.47Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 2.85Å
208I32.5Very low30.9Very low100 Ų100137.7 Ų137.751%0.51375%0.754SS.*  trans-69.289.5173.5-54.8177000108.6Y206 S210Y206-I208 PolarHBondContact O-N 3.36Å; I208-S210 VanDerWaalsContact C-N 3.31Å; I208-S210 PolarHBondContact O-N 2.89Å
209S29.8Very low31.3Very low110 Ų110132 Ų13277%0.76974%0.736SS**  trans-76.783.3171.8-169.10000109.6L207 N211L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 2.85Å; S209-N211 PolarHBondContact O-N 3.31Å
210S32.1Very low31.1Very low104 Ų104131.8 Ų131.873%0.72774%0.736SS**  trans-72.8102.4171.152.10000109.8I208I208-S210 VanDerWaalsContact C-N 3.31Å; I208-S210 PolarHBondContact O-N 2.89Å
211N31.7Very low31.2Very low140 Ų140133 Ų13375%0.74974%0.741SS**  trans-82.4151.1168.559.9-38.9000111.3S209S209-N211 PolarHBondContact O-N 3.31Å
212E30.2Very low31.6Very low190 Ų190134 Ų13489%0.88874%0.742SS**  trans-112.2109.4-157.8178.2-177.8-175.700111.4
213N27.4Very low31.6Very low135 Ų135135.4 Ų135.472%0.72274%0.744SS**  trans-161.666.4158.764.8-18.6000112.8N215N213-N215 PolarHBondContact O-N 3.12Å
214L32.1Very low31.4Very low183 Ų183136.4 Ų136.496%0.95874%0.741SS**  trans-68.684.3160.4-71.8179.8000108.9E216L214-E216 PolarHBondContact O-N 3.14Å
215N33.1Very low31.4Very low123 Ų123137.9 Ų137.966%0.65875%0.751SS**  trans-68.2115176.4-175.6101.2000109.5N213 F217N213-N215 PolarHBondContact O-N 3.12Å; N215-F217 PolarHBondContact O-N 3.45Å
216E28.5Very low31.8Very low171 Ų171138.7 Ų138.780%0.79975%0.747SS**  trans-46106.9168-173164.1-139.100110.7L214 D218L214-E216 PolarHBondContact O-N 3.14Å; E216-D218 VanDerWaalsContact C-N 3.3Å; E216-D218 PolarHBondContact O-N 2.9Å; E216-D218 VanDerWaalsContact O-N 3.16Å
217F32.5Very low31.9Very low172 Ų172136.5 Ų136.575%0.75475%0.752SS**  trans-88.775.7178.5-118.5-73.8000108.5N215 G219N215-F217 PolarHBondContact O-N 3.45Å; F217-G219 PolarHBondContact O-N 2.77Å
218D27.7Very low32.1Very low144 Ų144135.9 Ų135.977%0.7775%0.749SS**  trans-68100.3173.9-163.310.6000109.1E216 D220E216-D218 VanDerWaalsContact C-N 3.3Å; E216-D218 PolarHBondContact O-N 2.9Å; E216-D218 VanDerWaalsContact O-N 3.16Å; D218-D220 PolarHBondContact O-N 3.01Å
219G34.6Very low32.4Very low53 Ų53138.6 Ų138.655%0.54677%0.765SS.*  trans-100.575.7-166.400000111.7F217 I221F217-G219 PolarHBondContact O-N 2.77Å; G219-I221 VanDerWaalsContact C-N 3.28Å; G219-I221 PolarHBondContact O-N 3.16Å
220D27.5Very low32.6Very low153 Ų153141.3 Ų141.382%0.81877%0.77SS**  trans-60.481.5176.9-113.9-21.6000111.9D218 S222D218-D220 PolarHBondContact O-N 3.01Å; D220-S222 PolarHBondContact O-N 3.02Å; D220-S222 VanDerWaalsContact O-N 3.14Å
221I31.6Very low32.6Very low166 Ų166146.6 Ų146.685%0.85178%0.78SS**  trans-80.792.2170.6-63.5168.1000107.5G219 E223G219-I221 VanDerWaalsContact C-N 3.28Å; G219-I221 PolarHBondContact O-N 3.16Å; I221-E223 PolarHBondContact O-N 3.23Å; I221-E223 VanDerWaalsContact O-N 3.12Å
222S35.6Very low32.7Very low109 Ų109144 Ų14476%0.76277%0.773SS**  trans-62.5110.5-173.163.20000113.5D220D220-S222 PolarHBondContact O-N 3.02Å; D220-S222 VanDerWaalsContact O-N 3.14Å
223E33.2Very low32.7Very low180 Ų180141.7 Ų141.784%0.84177%0.767SS**SBendtrans49.8107.7141.5-161.1167.5-152.500119.5I221I221-E223 PolarHBondContact O-N 3.23Å; I221-E223 VanDerWaalsContact O-N 3.12Å
224N28.3Very low32.9Very low126 Ų126140.3 Ų140.367%0.67476%0.758SS**  trans69.992.9142.5-173.518.7000120.6N226N224-N226 PolarHBondContact OD1-N 2.81Å
225P34.7Very low33.2Very low120 Ų120134.1 Ų134.178%0.77973%0.728SS**  trans-104.473.415036.6-29000112.4S227P225-S227 PolarHBondContact O-N 3.4Å
226N40.2Very low33.6Very low127 Ų127133.5 Ų133.568%0.67972%0.72SS**  trans19.485.4146.759.2-14.9000119.9N224N224-N226 PolarHBondContact OD1-N 2.81Å
227S37.4Very low34.3Very low94 Ų94129.8 Ų129.866%0.65770%0.703SS**SBendtrans52.3128.3138.161.60000121.6P225P225-S227 PolarHBondContact O-N 3.4Å
228D34.1Very low34.9Very low153 Ų153128.8 Ų128.882%0.81870%0.7SS**SBendtrans78.526.9140.4-55.6-6.2000121
229N38.1Very low35.6Very low158 Ų158125 Ų12585%0.84568%0.68SS**SBendtrans-152.510.9164.9-128.9-13.6000119.9
230L33.2Very low35.9Very low167 Ų167126 Ų12687%0.87467%0.669SS**  trans-122.7110.1173.3-69.6176000110.5S232L230-S232 PolarHBondContact O-N 3.34Å
231K33.1Very low36.5Very low215 Ų215120.1 Ų120.194%0.93564%0.637SS**  trans-66.4101.6173-169.5176.2-176.9-177.80107.8N233K231-N233 PolarHBondContact O-N 3.47Å
232S32.8Very low37Very low86 Ų86114.2 Ų114.260%0.60161%0.611SS**  trans-76.899.9-154.461.90000112.4L230 I234L230-S232 PolarHBondContact O-N 3.34Å; S232-I234 PolarHBondContact O-N 2.8Å
233N30.8Very low37.2Very low141 Ų141110.3 Ų110.375%0.75458%0.584SS**  trans-75.768.5167.6-167.625.5000109.8K231 V235K231-N233 PolarHBondContact O-N 3.47Å; N233-V235 PolarHBondContact O-N 2.65Å; N233-V235 WeakPolarHBondContact OD1-CG2 3.36Å
234I31.3Very low37.6Very low105 Ų105107.3 Ų107.354%0.53857%0.565SS.*  trans-79.474.1-179.1-42.3-176.8000108.9S232 H236S232-I234 PolarHBondContact O-N 2.8Å; I234-H236 VanDerWaalsContact C-N 3.32Å; I234-H236 WeakPolarHBondContact CG2-NE2 3.38Å; I234-H236 PolarHBondContact O-N 3.32Å
235V39.3Very low38.3Very low54 Ų54103.6 Ų103.633%0.32754%0.543SS..  trans-70.392174.1-169.20000108.2N233 H237N233-V235 PolarHBondContact O-N 2.65Å; N233-V235 WeakPolarHBondContact OD1-CG2 3.36Å; V235-H237 VanDerWaalsContact C-N 3.26Å; V235-H237 WeakPolarHBondContact CG1-CE1 3.39Å; V235-H237 PolarHBondContact O-N 2.73Å
236H41Very low38.6Very low109 Ų109101 Ų10151%0.50553%0.526SS..  trans-68.783.1175.4-85-85.3000110.4I234 H238I234-H236 VanDerWaalsContact C-N 3.32Å; I234-H236 WeakPolarHBondContact CG2-NE2 3.38Å; I234-H236 PolarHBondContact O-N 3.32Å; H236-H238 VanDerWaalsContact C-N 3.31Å; H236-H238 PolarHBondContact O-N 2.88Å
237H43.8Very low38.7Very low94 Ų9495.8 Ų95.844%0.43550%0.499SS..  trans-70.983.5169.5-68.7-56.4000110.3V235V235-H237 VanDerWaalsContact C-N 3.26Å; V235-H237 WeakPolarHBondContact CG1-CE1 3.39Å; V235-H237 PolarHBondContact O-N 2.73Å
238H45.1Very low39Very low150 Ų15098.4 Ų98.469%0.69450%0.501SS*.  trans-139.277.8-175-145.5-78.6000114.4H236H236-H238 VanDerWaalsContact C-N 3.31Å; H236-H238 PolarHBondContact O-N 2.88Å
239L41.2Very low39.5Very low65 Ų6596.5 Ų96.534%0.3448%0.483SS..  trans-170.7123.1148.6176.653.4000108.6F34 I241 W263F34-L239 HydrophobicContact CD1-CD2 4.38Å; F34-L239 HydrophobicContact CE1-CD2 3.66Å; F34-L239 HydrophobicContact CZ-CD2 4.1Å; L239-I241 HydrophobicContact CD1-CD1 4.5Å; L239-I241 HydrophobicContact CD1-CG1 4Å; L239-I241 HydrophobicContact CD2-CD1 4.03Å; L239-I241 HydrophobicContact CD2-CG1 4.42Å; L239-I241 HydrophobicContact CG-CD1 4.03Å; L239-I241 HydrophobicContact CG-CG1 3.98Å; L239-W263 HydrophobicContact CB-CG 4.5Å
240F42.3Very low39.7Very low74 Ų7499 Ų9933%0.32549%0.489SS..  trans-121.8116.9177.1177.1-99.2000109.4W141 V145 S242 I260W141-F240 HydrophobicContact CZ2-CE1 4.44Å; V145-F240 HydrophobicContact CG1-CE1 3.78Å; V145-F240 HydrophobicContact CG1-CE2 4.29Å; V145-F240 HydrophobicContact CG1-CZ 3.67Å; V145-F240 HydrophobicContact CG2-CE1 4.25Å; V145-F240 HydrophobicContact CG2-CZ 4.17Å; F240-S242 VanDerWaalsContact CE1-CB 3.41Å; F240-S242 VanDerWaalsContact CE1-OG 3.31Å; F240-S242 WeakPolarHBondContact CE1-OG 3.42Å; F240-I260 HydrophobicContact CD2-CG2 4.01Å; F240-I260 HydrophobicContact CE2-CB 4.37Å; F240-I260 HydrophobicContact CE2-CD1 4.25Å; F240-I260 HydrophobicContact CE2-CG1 3.97Å; F240-I260 HydrophobicContact CE2-CG2 3.76Å; F240-I260 HydrophobicContact CZ-CG1 4.5Å
241I40Very low40.3Very low29 Ų2999 Ų9915%0.14948%0.482CS..  trans-114.786.3-178.2-53.7148.8000108.5V30 F34 L239 V261V30-I241 HydrophobicContact CG1-CD1 4.4Å; F34-I241 HydrophobicContact CD2-CD1 4.11Å; F34-I241 HydrophobicContact CE1-CD1 4.28Å; F34-I241 HydrophobicContact CE2-CD1 3.35Å; F34-I241 HydrophobicContact CE2-CG1 3.94Å; F34-I241 HydrophobicContact CE2-CG2 4.49Å; F34-I241 HydrophobicContact CZ-CD1 3.46Å; F34-I241 VanDerWaalsContact CZ-CD1 3.46Å; F34-I241 HydrophobicContact CZ-CG1 3.8Å; L239-I241 HydrophobicContact CD1-CD1 4.5Å; L239-I241 HydrophobicContact CD1-CG1 4Å; L239-I241 HydrophobicContact CD2-CD1 4.03Å; L239-I241 HydrophobicContact CD2-CG1 4.42Å; L239-I241 HydrophobicContact CG-CD1 4.03Å; L239-I241 HydrophobicContact CG-CG1 3.98Å; I241-V261 HydrophobicContact CD1-CB 4.4Å
242S41.6Very low40.7Very low42 Ų4293.6 Ų93.629%0.29446%0.457SS..  trans-90.9114168.7570000110.7W141 F240W141-S242 WeakPolarHBondContact CZ2-OG 3.44Å; F240-S242 VanDerWaalsContact CE1-CB 3.41Å; F240-S242 VanDerWaalsContact CE1-OG 3.31Å; F240-S242 WeakPolarHBondContact CE1-OG 3.42Å
243S40.6Very low40.9Very low27 Ų2792.9 Ų92.919%0.18945%0.449CS..  trans-108.6115.417241.30000110F245S243-F245 VanDerWaalsContact CB-CE2 3.46Å; S243-F245 WeakPolarHBondContact O-CD2 3.22Å; S243-F245 VanDerWaalsContact OG-CE2 3.27Å; S243-F245 WeakPolarHBondContact OG-CE2 3.29Å
244R40.8Very low41.6Very low118 Ų11888.8 Ų88.845%0.44543%0.427SS..BIsolated β-bridgetrans-84.4112.8-179.6-169.1-172.2-163.3179.410.9110E256R244-E256 HydrophobicContact CG-CG 4.08Å; R244-E256 IonicContact CZ-OE2 3.29Å; R244-E256 VanDerWaalsContact CZ-OE2 3.29Å; R244-E256 IonicContact NE-OE2 3.13Å; R244-E256 PolarHBondContact NE-OE2 3.02Å; R244-E256 VanDerWaalsContact NE-OE2 3.13Å; R244-E256 IonicContact NH2-OE2 2.68Å; R244-E256 PolarHBondContact NH2-OE2 3.3Å
245F42.3Very low42.4Very low48 Ų4887.9 Ų87.921%0.21142%0.423CS..  trans-109.9138.2172.2-56.6-74.6000111.4F22 L26 S243F22-F245 HydrophobicContact CZ-CB 4.23Å; F22-F245 HydrophobicContact CZ-CD2 4.28Å; F22-F245 HydrophobicContact CZ-CG 4.14Å; L26-F245 HydrophobicContact CD1-CE2 3.38Å; L26-F245 HydrophobicContact CD1-CZ 3.51Å; L26-F245 HydrophobicContact CD2-CD2 4.16Å; L26-F245 HydrophobicContact CD2-CE2 3.65Å; L26-F245 HydrophobicContact CG-CE2 4.17Å; S243-F245 VanDerWaalsContact CB-CE2 3.46Å; S243-F245 WeakPolarHBondContact O-CD2 3.22Å; S243-F245 VanDerWaalsContact OG-CE2 3.27Å; S243-F245 WeakPolarHBondContact OG-CE2 3.29Å
246C41.1Very low42.7Very low64 Ų6488.7 Ų88.743%0.43242%0.423SS..  trans-118108170.8-65.80000108.3L254C246-L254 WeakPolarHBondContact CA-O 3.27Å
247V42.2Very low43Very low18 Ų1884.1 Ų84.111%0.10940%0.403CS..EExtended strand (participates in β ladder)trans-99.5110.6178.1-168.80000108.6F22 Y249 L254F22-V247 HydrophobicContact CZ-CG2 4.4Å; V247-Y249 HydrophobicContact CG1-CD2 3.79Å; V247-Y249 HydrophobicContact CG1-CE2 3.52Å; V247-L254 HydrophobicContact CB-CB 4.15Å; V247-L254 HydrophobicContact CB-CD1 4.11Å; V247-L254 HydrophobicContact CB-CG 4.34Å; V247-L254 HydrophobicContact CG2-CD1 4.31Å; V247-L254 PolarHBondContact N-O 3.31Å; V247-L254 PolarHBondContact O-N 3.13Å
248Q43.3Very low43.3Very low150 Ų15081.3 Ų81.370%0.70139%0.391SS*.EExtended strand (participates in β ladder)trans-85.9110.1169.3-74.3-168.6-28.100109.7V253Q248-V253 HydrophobicContact CG-CG1 4.36Å; Q248-V253 HydrophobicContact CG-CG2 4.34Å
249Y45Very low43.6Very low113 Ų11374.5 Ų74.544%0.44336%0.359SS..EExtended strand (participates in β ladder)trans-96.9155.2156.8-79.9-76.5000109.6V247 K251 Y252V247-Y249 HydrophobicContact CG1-CD2 3.79Å; V247-Y249 HydrophobicContact CG1-CE2 3.52Å; Y249-K251 PolarHBondContact O-N 3.47Å; Y249-Y252 PolarHBondContact N-O 3.49Å; Y249-Y252 PolarHBondContact O-N 3.32Å; Y249-Y252 VanDerWaalsContact O-O 3.09Å
250E42.4Very low44.1Very low209 Ų20971.5 Ų71.598%0.97734%0.344SS*.THydrogen-bonded Turntrans-46.9-20.7-170.9-165.6-178.2-162.100116.3
251K47.4Very low44.4Very low167 Ų16768.8 Ų68.873%0.72633%0.333SS*.THydrogen-bonded Turntrans-130.7-4.8177.5-171.1168.8178178.40114.8Y249Y249-K251 PolarHBondContact O-N 3.47Å
252Y41.2Very low44.8Very low102 Ų10269.8 Ų69.840%0.434%0.337SS..EExtended strand (participates in β ladder)trans-145.4126.7-172.3-56.1-81.6000111.5R15 Y249R15-Y252 VanDerWaalsContact NH2-CD2 3.32Å; Y249-Y252 PolarHBondContact N-O 3.49Å; Y249-Y252 PolarHBondContact O-N 3.32Å; Y249-Y252 VanDerWaalsContact O-O 3.09Å
253V37.1Very low45.1Very low71 Ų7169.1 Ų69.143%0.4333%0.327SS..EExtended strand (participates in β ladder)trans-94.2117.2170.3-170.90000108.2Q248 N255Q248-V253 HydrophobicContact CG-CG1 4.36Å; Q248-V253 HydrophobicContact CG-CG2 4.34Å; V253-N255 PolarHBondContact O-N 2.86Å; V253-N255 VanDerWaalsContact O-N 3.1Å
254L45.5Very low45.4Very low55 Ų5573.3 Ų73.329%0.28834%0.339SS..EExtended strand (participates in β ladder)trans-72.1100.2160.2-65-173.2000106.6C246 V247 F287C246-L254 WeakPolarHBondContact CA-O 3.27Å; V247-L254 HydrophobicContact CB-CB 4.15Å; V247-L254 HydrophobicContact CB-CD1 4.11Å; V247-L254 HydrophobicContact CB-CG 4.34Å; V247-L254 HydrophobicContact CG2-CD1 4.31Å; V247-L254 PolarHBondContact N-O 3.31Å; V247-L254 PolarHBondContact O-N 3.13Å; L254-F287 HydrophobicContact CD1-CE1 4.09Å; L254-F287 HydrophobicContact CD2-CD1 4.07Å; L254-F287 HydrophobicContact CD2-CE1 3.98Å; L254-F287 HydrophobicContact CG-CE1 4.48Å
255N46.5Very low45.8Very low87 Ų8771 Ų7147%0.46533%0.331SS..  trans-79.8-21.2-164.1-13886.8000113.4V253V253-N255 PolarHBondContact O-N 2.86Å; V253-N255 VanDerWaalsContact O-N 3.1Å
256E47.2Very low46.2Very low71 Ų7177.1 Ų77.133%0.33237%0.366SS..  trans-161142.5169.1-143.6149.8113.800109.8R244 I258R244-E256 HydrophobicContact CG-CG 4.08Å; R244-E256 IonicContact CZ-OE2 3.29Å; R244-E256 VanDerWaalsContact CZ-OE2 3.29Å; R244-E256 IonicContact NE-OE2 3.13Å; R244-E256 PolarHBondContact NE-OE2 3.02Å; R244-E256 VanDerWaalsContact NE-OE2 3.13Å; R244-E256 IonicContact NH2-OE2 2.68Å; R244-E256 PolarHBondContact NH2-OE2 3.3Å; E256-I258 HydrophobicContact CG-CG1 4.22Å
257V47.1Very low46.7Very low12 Ų1277.3 Ų77.37%0.07336%0.362CS..  trans-126.2131.2160.5-179.20000105.6F287V257-F287 HydrophobicContact CG2-CE1 3.71Å; V257-F287 HydrophobicContact CG2-CZ 3.76Å
258I50Low47.2Very low35 Ų3579.9 Ų79.918%0.17938%0.38CS..BIsolated β-bridgetrans-117.798.3176-54.6176.1000107.3W141 E256 I260W141-I258 HydrophobicContact CH2-CD1 3.97Å; W141-I258 HydrophobicContact CH2-CG1 4.15Å; W141-I258 HydrophobicContact CH2-CG2 4.16Å; W141-I258 HydrophobicContact CZ3-CD1 3.9Å; W141-I258 HydrophobicContact CZ3-CG1 4.33Å; E256-I258 HydrophobicContact CG-CG1 4.22Å; I258-I260 HydrophobicContact CG2-CD1 4.35Å; I258-I260 HydrophobicContact CG2-CG1 3.89Å
259L51.1Low47.7Very low7 Ų777.7 Ų77.74%0.03738%0.377CS..  trans-67.1134162.8177.260.3000108.5L26 V30 V261 L282L26-L259 HydrophobicContact CD2-CB 4.34Å; L26-L259 HydrophobicContact CD2-CD2 4.05Å; L26-L259 HydrophobicContact CG-CD2 4.09Å; V30-L259 HydrophobicContact CG2-CD2 4.18Å; L259-V261 HydrophobicContact CD1-CG2 4.13Å; L259-V261 HydrophobicContact CD2-CG2 4.09Å; L259-V261 HydrophobicContact CG-CG2 4.02Å; L259-L282 HydrophobicContact CD1-CD1 3.42Å; L259-L282 VanDerWaalsContact CD1-CD1 3.42Å; L259-L282 HydrophobicContact CD1-CG 4.28Å
260I50.7Low47.9Very low3 Ų376.7 Ų76.72%0.01538%0.379CS..  trans-126.9111.7168-53.8-179.1000107.4I148 F240 I258 F262I148-I260 HydrophobicContact CG2-CD1 4Å; F240-I260 HydrophobicContact CD2-CG2 4.01Å; F240-I260 HydrophobicContact CE2-CB 4.37Å; F240-I260 HydrophobicContact CE2-CD1 4.25Å; F240-I260 HydrophobicContact CE2-CG1 3.97Å; F240-I260 HydrophobicContact CE2-CG2 3.76Å; F240-I260 HydrophobicContact CZ-CG1 4.5Å; I258-I260 HydrophobicContact CG2-CD1 4.35Å; I258-I260 HydrophobicContact CG2-CG1 3.89Å; I260-F262 HydrophobicContact CB-CE2 4.42Å; I260-F262 HydrophobicContact CG2-CD2 3.87Å; I260-F262 HydrophobicContact CG2-CE1 4.14Å; I260-F262 HydrophobicContact CG2-CE2 3.39Å; I260-F262 HydrophobicContact CG2-CG 4.43Å; I260-F262 HydrophobicContact CG2-CZ 3.55Å
261V49.4Very low48.2Very low17 Ų1773.2 Ų73.210%0.10336%0.361CS..EExtended strand (participates in β ladder)trans-99.6118.8168.6-176.50000107.5I241 L259I241-V261 HydrophobicContact CD1-CB 4.4Å; L259-V261 HydrophobicContact CD1-CG2 4.13Å; L259-V261 HydrophobicContact CD2-CG2 4.09Å; L259-V261 HydrophobicContact CG-CG2 4.02Å
262F49Very low48.5Very low50 Ų5077 Ų7722%0.21937%0.37CS..EExtended strand (participates in β ladder)trans-96.4136.3167-66.8-77.9000109.9V152 I260V152-F262 HydrophobicContact CB-CZ 4.36Å; V152-F262 HydrophobicContact CG1-CE2 3.82Å; V152-F262 HydrophobicContact CG1-CZ 3.75Å; I260-F262 HydrophobicContact CB-CE2 4.42Å; I260-F262 HydrophobicContact CG2-CD2 3.87Å; I260-F262 HydrophobicContact CG2-CE1 4.14Å; I260-F262 HydrophobicContact CG2-CE2 3.39Å; I260-F262 HydrophobicContact CG2-CG 4.43Å; I260-F262 HydrophobicContact CG2-CZ 3.55Å
263W46.8Very low48.3Very low27 Ų2775.2 Ų75.210%0.10238%0.383CS..PPolyproline II helixtrans-103.6141.3167.8-6779.8000110F35 L239 Y265 F280F35-W263 HydrophobicContact CZ-CH2 4.32Å; L239-W263 HydrophobicContact CB-CG 4.5Å; W263-Y265 HydrophobicContact CB-CE2 4.07Å; W263-Y265 HydrophobicContact CE3-CE1 4.24Å; W263-Y265 AromaticContact CE3-CZ 3.94Å; W263-F280 HydrophobicContact CH2-CD1 4.41Å; W263-F280 AromaticContact CH2-CE1 3.59Å; W263-F280 HydrophobicContact CH2-CE1 3.59Å; W263-F280 HydrophobicContact CH2-CZ 4.41Å; W263-F280 HydrophobicContact CZ2-CE1 4.07Å; W263-F280 AromaticContact CZ3-CE1 3.87Å; W263-F280 HydrophobicContact CZ3-CE1 3.87Å
264R46.8Very low48.3Very low116 Ų11675.9 Ų75.944%0.43840%0.404SS..  trans-119.8131.3166.4-71.6-175.2169.3-172.5-6.4108.2
265Y49.3Very low47.7Very low70 Ų7076.6 Ų76.628%0.27543%0.425SS..  trans-123.2124.3171.7-62.9-67.6000107.7W263 F271W263-Y265 HydrophobicContact CB-CE2 4.07Å; W263-Y265 HydrophobicContact CE3-CE1 4.24Å; W263-Y265 AromaticContact CE3-CZ 3.94Å; Y265-F271 AromaticContact CD1-CE2 3.9Å; Y265-F271 HydrophobicContact CD1-CE2 3.9Å; Y265-F271 HydrophobicContact CD1-CZ 4.13Å; Y265-F271 AromaticContact CE1-CE2 3.82Å; Y265-F271 HydrophobicContact CE1-CE2 3.82Å; Y265-F271 AromaticContact CE1-CZ 3.7Å; Y265-F271 HydrophobicContact CE1-CZ 3.7Å
266D52.1Low47.3Very low175 Ų17577.7 Ų77.794%0.93643%0.431SS*.SBendtrans-75.8-27.3177.6-60.1-49.2000112.1
267D50Low47Very low68 Ų6881 Ų8136%0.36446%0.455SS..  trans-150.9117.7173.7-171.1-25.9000110.3T269 L270D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 VanDerWaalsContact CG-OG1 3.27Å; D267-T269 PolarHBondContact O-N 2.96Å; D267-T269 VanDerWaalsContact OD1-CB 3.29Å; D267-T269 WeakPolarHBondContact OD1-CB 3.26Å; D267-T269 WeakPolarHBondContact OD1-CG2 3.19Å; D267-T269 PolarHBondContact OD1-N 2.75Å; D267-T269 PolarHBondContact OD1-OG1 2.96Å; D267-T269 PolarHBondContact OD2-OG1 3.29Å; D267-L270 HydrophobicContact CB-CD1 3.9Å; D267-L270 HydrophobicContact CB-CG 4.22Å
268P53.1Low46.8Very low72 Ų7281 Ų8147%0.46846%0.458SS..G310 helixtrans-73.1-14178.830.4-35.2000113.9L270P268-L270 VanDerWaalsContact C-N 3.27Å; P268-L270 PolarHBondContact O-N 2.88Å
269T54.1Low46.2Very low105 Ų10585.5 Ų85.564%0.64448%0.478SS*.G310 helixtrans-76-11.8-174.668.20000114.2D267 F271D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 VanDerWaalsContact CG-OG1 3.27Å; D267-T269 PolarHBondContact O-N 2.96Å; D267-T269 VanDerWaalsContact OD1-CB 3.29Å; D267-T269 WeakPolarHBondContact OD1-CB 3.26Å; D267-T269 WeakPolarHBondContact OD1-CG2 3.19Å; D267-T269 PolarHBondContact OD1-N 2.75Å; D267-T269 PolarHBondContact OD1-OG1 2.96Å; D267-T269 PolarHBondContact OD2-OG1 3.29Å; T269-F271 VanDerWaalsContact C-N 3.31Å; T269-F271 PolarHBondContact O-N 3.04Å
270L49.1Very low45.6Very low92 Ų9290 Ų9048%0.48250%0.498SS..G310 helixtrans-79.7-3.8-170.6-65.2173.4000114.8D267 P268 R272 N276D267-L270 HydrophobicContact CB-CD1 3.9Å; D267-L270 HydrophobicContact CB-CG 4.22Å; P268-L270 VanDerWaalsContact C-N 3.27Å; P268-L270 PolarHBondContact O-N 2.88Å; L270-R272 PolarHBondContact O-N 2.93Å; L270-N276 WeakPolarHBondContact CD1-ND2 3.25Å
271F47.9Very low45Very low136 Ų13693.8 Ų93.860%0.59652%0.515SS*.THydrogen-bonded Turntrans-78.323.8-178.7-75.4-77.4000115.8Y265 T269 G273Y265-F271 AromaticContact CD1-CE2 3.9Å; Y265-F271 HydrophobicContact CD1-CE2 3.9Å; Y265-F271 HydrophobicContact CD1-CZ 4.13Å; Y265-F271 AromaticContact CE1-CE2 3.82Å; Y265-F271 HydrophobicContact CE1-CE2 3.82Å; Y265-F271 AromaticContact CE1-CZ 3.7Å; Y265-F271 HydrophobicContact CE1-CZ 3.7Å; T269-F271 VanDerWaalsContact C-N 3.31Å; T269-F271 PolarHBondContact O-N 3.04Å; F271-G273 VanDerWaalsContact C-N 3.3Å
272R55.2Low44.6Very low246 Ų24696.6 Ų96.693%0.92853%0.529SS*.THydrogen-bonded Turntrans-81.3-6.1172.3-148.1173-163.3-84.2-3.5114.3L270L270-R272 PolarHBondContact O-N 2.93Å
273G37.2Very low44.2Very low65 Ų6595.9 Ų95.967%0.6753%0.529SS*.SBendtrans153.2117.2165.600000114.3F271F271-G273 VanDerWaalsContact C-N 3.3Å
274G36.4Very low43.9Very low85 Ų8599.3 Ų99.388%0.87655%0.549SS*.SBendtrans81.685.5161.600000116.8
275G31.8Very low43.6Very low70 Ų7097.4 Ų97.472%0.72255%0.548SS*.  trans96.7109.6151.600000117
276N38.3Very low42.9Very low110 Ų110103 Ų10359%0.58857%0.574SS**  trans-148.4145.2137.6-93.5-42000108.4L270L270-N276 WeakPolarHBondContact CD1-ND2 3.25Å
277V42.5Very low41.9Very low139 Ų13998.2 Ų98.284%0.84255%0.545SS*.  trans-95109-179.9-179.30000108.1
278G41.9Very low40.9Very low12 Ų12104.5 Ų104.512%0.12457%0.569CS.*PPolyproline II helixtrans-72.4142.7170.700000111F280G278-F280 WeakPolarHBondContact O-CE2 3.38Å
279E36.8Very low39.7Very low131 Ų131107 Ų10761%0.61258%0.577SS**PPolyproline II helixtrans-73.4132.2168.3-70-165.3146.100110.7
280F38.5Very low38.3Very low102 Ų102113 Ų11345%0.44759%0.588SS.*PPolyproline II helixtrans-99.6126.2173.7-45-88.7000109.5L31 F35 W263 G278L31-F280 HydrophobicContact CD2-CE1 4.02Å; L31-F280 HydrophobicContact CD2-CZ 4.35Å; F35-F280 HydrophobicContact CZ-CZ 4.37Å; W263-F280 HydrophobicContact CH2-CD1 4.41Å; W263-F280 AromaticContact CH2-CE1 3.59Å; W263-F280 HydrophobicContact CH2-CE1 3.59Å; W263-F280 HydrophobicContact CH2-CZ 4.41Å; W263-F280 HydrophobicContact CZ2-CE1 4.07Å; W263-F280 AromaticContact CZ3-CE1 3.87Å; W263-F280 HydrophobicContact CZ3-CE1 3.87Å; G278-F280 WeakPolarHBondContact O-CE2 3.38Å
281Q40.1Very low37.4Very low82 Ų82119 Ų11938%0.38362%0.618SS.*EExtended strand (participates in β ladder)trans-116.4117.8167.2-68-171.836.700110.2
282L39.2Very low36.9Very low75 Ų75118.2 Ų118.239%0.39362%0.62SS.*EExtended strand (participates in β ladder)trans-88.9129.6171.8-160.898.2000108.6I27 L259I27-L282 HydrophobicContact CD1-CD1 3.8Å; I27-L282 HydrophobicContact CD1-CD2 4.38Å; I27-L282 HydrophobicContact CG1-CD1 3.93Å; L259-L282 HydrophobicContact CD1-CD1 3.42Å; L259-L282 VanDerWaalsContact CD1-CD1 3.42Å; L259-L282 HydrophobicContact CD1-CG 4.28Å
283T41.7Very low35.9Very low35 Ų35111.5 Ų111.522%0.21560%0.603CS.*  trans-125.898.7177.746.70000111.9N285T283-N285 PolarHBondContact O-N 3.37Å; T283-N285 VanDerWaalsContact O-N 3.15Å; T283-N285 PolarHBondContact O-ND2 3.3Å
284D41Very low35.8Very low99 Ų99114.1 Ų114.153%0.52960%0.6SS.*  trans-72.1102.5179.7-84.5-32000112.3Q23 F286Q23-D284 PolarHBondContact NE2-OD1 3.16Å; D284-F286 PolarHBondContact O-N 2.95Å; D284-F286 VanDerWaalsContact O-N 3.14Å
285N39.2Very low35.8Very low77 Ų77115.8 Ų115.841%0.41258%0.583SS.*  trans-86.680.5177.7-81.2-80.7000112.4T283T283-N285 PolarHBondContact O-N 3.37Å; T283-N285 VanDerWaalsContact O-N 3.15Å; T283-N285 PolarHBondContact O-ND2 3.3Å
286F35.6Very low36Very low187 Ų187118.6 Ų118.682%0.8258%0.575SS**  trans41.899.7156.9-63.4-82.3000119.1D284 K288D284-F286 PolarHBondContact O-N 2.95Å; D284-F286 VanDerWaalsContact O-N 3.14Å; F286-K288 PolarHBondContact O-N 2.99Å
287F30.7Very low35.9Very low74 Ų74119.2 Ų119.233%0.32557%0.574SS.*  trans-63.4100159.9-73.9-79.1000112.1M19 L254 V257 I289M19-F287 HydrophobicContact CE-CD2 3.68Å; M19-F287 HydrophobicContact CE-CE2 3.69Å; M19-F287 HydrophobicContact CE-CG 4.21Å; M19-F287 HydrophobicContact CE-CZ 4.22Å; M19-F287 HydrophobicContact CG-CE2 4.04Å; M19-F287 HydrophobicContact CG-CZ 4.44Å; M19-F287 HydrophobicContact SD-CD2 3.72Å; M19-F287 HydrophobicContact SD-CE2 3.43Å; M19-F287 WeakPolarHBondContact SD-CE2 3.29Å; M19-F287 HydrophobicContact SD-CZ 4.29Å; L254-F287 HydrophobicContact CD1-CE1 4.09Å; L254-F287 HydrophobicContact CD2-CD1 4.07Å; L254-F287 HydrophobicContact CD2-CE1 3.98Å; L254-F287 HydrophobicContact CG-CE1 4.48Å; V257-F287 HydrophobicContact CG2-CE1 3.71Å; V257-F287 HydrophobicContact CG2-CZ 3.76Å; F287-I289 VanDerWaalsContact C-N 3.33Å; F287-I289 PolarHBondContact O-N 3.13Å
288K29.4Very low35.4Very low201 Ų201117.8 Ų117.887%0.87456%0.555SS**  trans-77.782.1169.3-170.2171-175167.90111.1F286 R290F286-K288 PolarHBondContact O-N 2.99Å; K288-R290 PolarHBondContact O-N 3.28Å; K288-R290 VanDerWaalsContact O-N 3.08Å
289I27Very low34.9Very low125 Ų125125.9 Ų125.964%0.64159%0.588SS**  trans-63.2110.2169.6-58.5175.6000108.7F287 I291F287-I289 VanDerWaalsContact C-N 3.33Å; F287-I289 PolarHBondContact O-N 3.13Å; I289-I291 HydrophobicContact CG2-CG1 4.11Å
290R25.4Very low34.8Very low231 Ų231125.5 Ų125.587%0.87259%0.586SS**  trans-87.4117.5162176.7-177.8-90.8166.5-8.4107.7K288K288-R290 PolarHBondContact O-N 3.28Å; K288-R290 VanDerWaalsContact O-N 3.08Å
291I29.7Very low34.4Very low218 Ų218127.6 Ų127.6100%1.11860%0.598SS**  trans-850166.1-53178.1000108.2I289I289-I291 HydrophobicContact CG2-CG1 4.11Å

Retrieved 291 of 291 residues in 129.6 ms (Link to these results)