A0A5K4ENF2_SCHMA Loading...

Putative heparan sulfate n-deacetylase/n-sulfotransferase

AlphaFold DB (A0A5K4EMH1), UniProt , Accession A0A5K4ENF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 421 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
1M68.5Low85.8Confident219 Ų219142.4 Ų142.4100%1.07966%0.657SS**  0-39.70-140.9162.183.300113.5L3 L5M1-L3 PolarHBondContact O-N 3.06Å; M1-L5 PolarHBondContact O-N 3.29Å
2H79.5Confident86.4Confident144 Ų144136.5 Ų136.567%0.66764%0.639SS**Hα-helixtrans-62.4-35.6-176.9-85.9-79.4000116.5L5 R6H2-L5 PolarHBondContact O-N 3.36Å; H2-R6 WeakPolarHBondContact O-CG 3.23Å; H2-R6 PolarHBondContact O-N 3.48Å
3L82.2Confident86.8Confident128 Ų128131.7 Ų131.767%0.6762%0.619SS**Hα-helixtrans-68.7-42.2-177.9-170.266.6000112.3M1 L5 R6 I7M1-L3 PolarHBondContact O-N 3.06Å; L3-L5 VanDerWaalsContact C-N 3.27Å; L3-L5 PolarHBondContact O-N 3.37Å; L3-R6 PolarHBondContact O-N 2.97Å; L3-I7 HydrophobicContact CD1-CD1 4.47Å; L3-I7 HydrophobicContact CG-CD1 3.97Å; L3-I7 WeakPolarHBondContact O-CG1 3.35Å; L3-I7 PolarHBondContact O-N 3.34Å
4K85.1Confident87.3Confident166 Ų166129.9 Ų129.972%0.72262%0.615SS**Hα-helixtrans-60.4-37.2174.5-85-173.3175.2179.40111.9R8K4-R8 WeakPolarHBondContact O-CB 3.48Å; K4-R8 WeakPolarHBondContact O-CG 3.32Å; K4-R8 PolarHBondContact O-N 3.35Å
5L87.2Confident87.6Confident118 Ų118127.6 Ų127.662%0.61861%0.607SS**Hα-helixtrans-69.9-42.5178.4-162.173.3000111.7M1 H2 L3 R8 F9M1-L5 PolarHBondContact O-N 3.29Å; H2-L5 PolarHBondContact O-N 3.36Å; L3-L5 VanDerWaalsContact C-N 3.27Å; L3-L5 PolarHBondContact O-N 3.37Å; L5-R8 PolarHBondContact O-N 3.49Å; L5-F9 WeakPolarHBondContact O-CB 3.42Å; L5-F9 PolarHBondContact O-N 2.95Å
6R87.9Confident87.9Confident183 Ų183125.3 Ų125.369%0.69160%0.603SS**Hα-helixtrans-63.8-42.1176.2-73.6-176178-178.40.4112.4H2 L3 F9 L10H2-R6 WeakPolarHBondContact O-CG 3.23Å; H2-R6 PolarHBondContact O-N 3.48Å; L3-R6 PolarHBondContact O-N 2.97Å; R6-F9 PolarHBondContact O-N 3.42Å; R6-L10 PolarHBondContact O-N 3.38Å
7I90.5Very high88.2Confident88 Ų88123.4 Ų123.445%0.45160%0.597SS.*Hα-helixtrans-63.9-44.7176.7-68.5168.5000110.5L3 F9 L10 I11L3-I7 HydrophobicContact CD1-CD1 4.47Å; L3-I7 HydrophobicContact CG-CD1 3.97Å; L3-I7 WeakPolarHBondContact O-CG1 3.35Å; L3-I7 PolarHBondContact O-N 3.34Å; I7-F9 VanDerWaalsContact C-N 3.32Å; I7-F9 PolarHBondContact O-N 3.41Å; I7-L10 PolarHBondContact O-N 2.97Å; I7-I11 HydrophobicContact CG2-CD1 3.66Å; I7-I11 HydrophobicContact CG2-CG1 4.4Å; I7-I11 VanDerWaalsContact O-CG1 3.23Å; I7-I11 WeakPolarHBondContact O-CG1 3.45Å; I7-I11 PolarHBondContact O-N 3.31Å
8R89.2Confident88.3Confident180 Ų180120 Ų12068%0.67959%0.588SS**Hα-helixtrans-59.9-42.6175.4-77.7-179.5176.1-174.1-2.1112.1K4 L5 I11 T12K4-R8 WeakPolarHBondContact O-CB 3.48Å; K4-R8 WeakPolarHBondContact O-CG 3.32Å; K4-R8 PolarHBondContact O-N 3.35Å; L5-R8 PolarHBondContact O-N 3.49Å; R8-I11 PolarHBondContact O-N 3.32Å; R8-T12 WeakPolarHBondContact O-CG2 3.29Å; R8-T12 PolarHBondContact O-N 2.72Å; R8-T12 PolarHBondContact O-OG1 2.95Å; R8-T12 VanDerWaalsContact O-OG1 3.11Å
9F90.1Very high88.4Confident139 Ų139119.5 Ų119.561%0.6159%0.587SS**Hα-helixtrans-64.5-41.5178.7-165.4-105.4000112.4L5 R6 I7 T12 I13L5-F9 WeakPolarHBondContact O-CB 3.42Å; L5-F9 PolarHBondContact O-N 2.95Å; R6-F9 PolarHBondContact O-N 3.42Å; I7-F9 VanDerWaalsContact C-N 3.32Å; I7-F9 PolarHBondContact O-N 3.41Å; F9-T12 VanDerWaalsContact C-OG1 3.3Å; F9-T12 VanDerWaalsContact CA-OG1 3.29Å; F9-T12 WeakPolarHBondContact CA-OG1 3.49Å; F9-T12 PolarHBondContact O-N 2.96Å; F9-T12 PolarHBondContact O-OG1 3.05Å; F9-I13 HydrophobicContact CD1-CD1 3.64Å; F9-I13 HydrophobicContact CE1-CD1 3.37Å; F9-I13 HydrophobicContact CE1-CG1 4.34Å; F9-I13 HydrophobicContact CZ-CD1 4.06Å; F9-I13 WeakPolarHBondContact O-CG1 3.45Å; F9-I13 PolarHBondContact O-N 2.91Å
10L91Very high88.2Confident113 Ų113116.5 Ų116.559%0.59258%0.578SS**Hα-helixtrans-65.3-42.1177-143.1100.4000111.7R6 I7 T12 I13 L14R6-L10 PolarHBondContact O-N 3.38Å; I7-L10 PolarHBondContact O-N 2.97Å; L10-T12 VanDerWaalsContact C-N 3.34Å; L10-T12 PolarHBondContact O-N 3.32Å; L10-I13 PolarHBondContact O-N 2.98Å; L10-L14 HydrophobicContact CD2-CD1 4.3Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3Å
11I93.3Very high88.2Confident88 Ų88115.8 Ų115.845%0.45158%0.575SS.*Hα-helixtrans-62.6-41.6176.3-68.4167000110.6I7 R8 L14 L15I7-I11 HydrophobicContact CG2-CD1 3.66Å; I7-I11 HydrophobicContact CG2-CG1 4.4Å; I7-I11 VanDerWaalsContact O-CG1 3.23Å; I7-I11 WeakPolarHBondContact O-CG1 3.45Å; I7-I11 PolarHBondContact O-N 3.31Å; R8-I11 PolarHBondContact O-N 3.32Å; I11-L14 PolarHBondContact O-N 3.42Å; I11-L15 HydrophobicContact CG2-CD1 4.03Å; I11-L15 WeakPolarHBondContact O-CB 3.28Å; I11-L15 PolarHBondContact O-N 3.11Å
12T92.1Very high89Confident72 Ų72108.1 Ų108.144%0.44255%0.547SS..Hα-helixtrans-64.9-39.9176.745.40000112.5R8 F9 L10 L15 V16R8-T12 WeakPolarHBondContact O-CG2 3.29Å; R8-T12 PolarHBondContact O-N 2.72Å; R8-T12 PolarHBondContact O-OG1 2.95Å; R8-T12 VanDerWaalsContact O-OG1 3.11Å; F9-T12 VanDerWaalsContact C-OG1 3.3Å; F9-T12 VanDerWaalsContact CA-OG1 3.29Å; F9-T12 WeakPolarHBondContact CA-OG1 3.49Å; F9-T12 PolarHBondContact O-N 2.96Å; F9-T12 PolarHBondContact O-OG1 3.05Å; L10-T12 VanDerWaalsContact C-N 3.34Å; L10-T12 PolarHBondContact O-N 3.32Å; T12-L15 PolarHBondContact O-N 3.49Å; T12-V16 VanDerWaalsContact O-CG2 3.29Å; T12-V16 WeakPolarHBondContact O-CG2 3.29Å; T12-V16 PolarHBondContact O-N 3.31Å
13I92.3Very high89.3Confident74 Ų74107.6 Ų107.638%0.37954%0.543SS..Hα-helixtrans-64.4-44.8176.8-72.3170.5000110.9F9 L10 L15 V16 L17F9-I13 HydrophobicContact CD1-CD1 3.64Å; F9-I13 HydrophobicContact CE1-CD1 3.37Å; F9-I13 HydrophobicContact CE1-CG1 4.34Å; F9-I13 HydrophobicContact CZ-CD1 4.06Å; F9-I13 WeakPolarHBondContact O-CG1 3.45Å; F9-I13 PolarHBondContact O-N 2.91Å; L10-I13 PolarHBondContact O-N 2.98Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.96Å; I13-V16 PolarHBondContact O-N 2.79Å; I13-L17 HydrophobicContact CG2-CD1 3.88Å; I13-L17 WeakPolarHBondContact O-CB 3.43Å; I13-L17 PolarHBondContact O-N 3.21Å
14L92.8Very high89.3Confident106 Ų106106.1 Ų106.156%0.55553%0.534SS*.Hα-helixtrans-64.2-38.7178.5-74.3167.3000112L10 I11 L17 S18L10-L14 HydrophobicContact CD2-CD1 4.3Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3Å; I11-L14 PolarHBondContact O-N 3.42Å; L14-L17 PolarHBondContact O-N 3.46Å; L14-S18 WeakPolarHBondContact O-CB 3.29Å; L14-S18 PolarHBondContact O-N 2.93Å
15L93.1Very high88.8Confident96 Ų96107 Ų10750%0.50353%0.534SS..Hα-helixtrans-62.7-47.4174-85.1166.5000111.7I11 T12 I13 L17 S18 I19I11-L15 HydrophobicContact CG2-CD1 4.03Å; I11-L15 WeakPolarHBondContact O-CB 3.28Å; I11-L15 PolarHBondContact O-N 3.11Å; T12-L15 PolarHBondContact O-N 3.49Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.96Å; L15-L17 PolarHBondContact O-N 3.48Å; L15-S18 PolarHBondContact O-N 3.48Å; L15-S18 PolarHBondContact O-OG 3Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.48Å
16V92Very high88.3Confident90 Ų90110.2 Ų110.255%0.54554%0.537SS..Hα-helixtrans-61.5-44.2178.1172.50000111.2T12 I13 S18 I19 S20T12-V16 VanDerWaalsContact O-CG2 3.29Å; T12-V16 WeakPolarHBondContact O-CG2 3.29Å; T12-V16 PolarHBondContact O-N 3.31Å; I13-V16 PolarHBondContact O-N 2.79Å; V16-S18 VanDerWaalsContact C-N 3.35Å; V16-S18 PolarHBondContact O-N 3.49Å; V16-I19 PolarHBondContact O-N 3.4Å; V16-S20 WeakPolarHBondContact O-CB 3.26Å; V16-S20 PolarHBondContact O-N 2.83Å; V16-S20 PolarHBondContact O-OG 3.25Å; V16-S20 VanDerWaalsContact O-OG 3.14Å
17L92.1Very high87.6Confident94 Ų94105.6 Ų105.649%0.49253%0.526SS..Hα-helixtrans-61.2-42.1175.3-84.9161.2000112I13 L14 L15 I19 S20 I21I13-L17 HydrophobicContact CG2-CD1 3.88Å; I13-L17 WeakPolarHBondContact O-CB 3.43Å; I13-L17 PolarHBondContact O-N 3.21Å; L14-L17 PolarHBondContact O-N 3.46Å; L15-L17 PolarHBondContact O-N 3.48Å; L17-I19 PolarHBondContact O-N 3.04Å; L17-S20 PolarHBondContact O-N 3.46Å; L17-I21 WeakPolarHBondContact O-CB 3.49Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.25Å; L17-I21 PolarHBondContact O-N 2.83Å
18S90.9Very high86.4Confident62 Ų62106.6 Ų106.643%0.43453%0.529SS..Hα-helixtrans-64.5-39.4177.981.60000112.4L14 L15 V16 I21 A22L14-S18 WeakPolarHBondContact O-CB 3.29Å; L14-S18 PolarHBondContact O-N 2.93Å; L15-S18 PolarHBondContact O-N 3.48Å; L15-S18 PolarHBondContact O-OG 3Å; V16-S18 VanDerWaalsContact C-N 3.35Å; V16-S18 PolarHBondContact O-N 3.49Å; S18-I21 PolarHBondContact O-N 2.93Å; S18-A22 VanDerWaalsContact O-CB 3.28Å; S18-A22 WeakPolarHBondContact O-CB 3.42Å; S18-A22 PolarHBondContact O-N 3.32Å
19I90Very high84.9Confident111 Ų111104.6 Ų104.657%0.56953%0.525SS*.Hα-helixtrans-67.9-43.1177.7-67.7165000110L15 V16 L17 A22 F23L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.48Å; V16-I19 PolarHBondContact O-N 3.4Å; L17-I19 PolarHBondContact O-N 3.04Å; I19-A22 PolarHBondContact O-N 3.47Å; I19-F23 VanDerWaalsContact O-CB 3.31Å; I19-F23 WeakPolarHBondContact O-CB 3.31Å; I19-F23 PolarHBondContact O-N 2.87Å
20S85.3Confident83Confident58 Ų58103.3 Ų103.341%0.40652%0.524SS..Hα-helixtrans-62.7-43.8176.4-670000112.2V16 L17 F23 I24V16-S20 WeakPolarHBondContact O-CB 3.26Å; V16-S20 PolarHBondContact O-N 2.83Å; V16-S20 PolarHBondContact O-OG 3.25Å; V16-S20 VanDerWaalsContact O-OG 3.14Å; L17-S20 PolarHBondContact O-N 3.46Å; S20-F23 PolarHBondContact O-N 3.31Å; S20-I24 VanDerWaalsContact O-CG1 3.27Å; S20-I24 WeakPolarHBondContact O-CG1 3.48Å; S20-I24 PolarHBondContact O-N 3.14Å
21I87.9Confident80.9Confident102 Ų102106.9 Ų106.952%0.52354%0.535SS..Hα-helixtrans-64.5-44.8176.2-67.5165.1000110.3L17 S18 F23 I24 W25L17-I21 WeakPolarHBondContact O-CB 3.49Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.25Å; L17-I21 PolarHBondContact O-N 2.83Å; S18-I21 PolarHBondContact O-N 2.93Å; I21-F23 VanDerWaalsContact C-N 3.3Å; I21-F23 PolarHBondContact O-N 2.93Å; I21-I24 PolarHBondContact O-N 3.31Å; I21-W25 WeakPolarHBondContact O-CB 3.49Å; I21-W25 PolarHBondContact O-N 3.41Å
22A85.2Confident78.5Confident58 Ų58112.1 Ų112.148%0.47955%0.55SS.*Hα-helixtrans-62.4-36.5176.400000112.2S18 I19 W25 R26S18-A22 VanDerWaalsContact O-CB 3.28Å; S18-A22 WeakPolarHBondContact O-CB 3.42Å; S18-A22 PolarHBondContact O-N 3.32Å; I19-A22 PolarHBondContact O-N 3.47Å; A22-W25 PolarHBondContact O-N 3.36Å; A22-R26 VanDerWaalsContact O-CB 3.26Å; A22-R26 WeakPolarHBondContact O-CB 3.21Å; A22-R26 PolarHBondContact O-N 2.93Å
23F86Confident75.8Confident133 Ų133112.3 Ų112.358%0.58355%0.551SS**Hα-helixtrans-67.7-43.9175.9-171.8-104.7000111.8I19 S20 I21 W25 R26 L27I19-F23 VanDerWaalsContact O-CB 3.31Å; I19-F23 WeakPolarHBondContact O-CB 3.31Å; I19-F23 PolarHBondContact O-N 2.87Å; S20-F23 PolarHBondContact O-N 3.31Å; I21-F23 VanDerWaalsContact C-N 3.3Å; I21-F23 PolarHBondContact O-N 2.93Å; F23-W25 VanDerWaalsContact C-N 3.34Å; F23-W25 PolarHBondContact O-N 3.38Å; F23-R26 PolarHBondContact O-N 3.15Å; F23-L27 HydrophobicContact CD1-CD1 3.58Å; F23-L27 HydrophobicContact CD1-CG 4.38Å; F23-L27 HydrophobicContact CE1-CD1 3.32Å; F23-L27 HydrophobicContact CE1-CG 4.13Å; F23-L27 HydrophobicContact CG-CD1 4.46Å; F23-L27 HydrophobicContact CZ-CD1 4.01Å; F23-L27 HydrophobicContact CZ-CG 4.38Å; F23-L27 WeakPolarHBondContact O-CB 3.42Å; F23-L27 WeakPolarHBondContact O-CG 3.39Å; F23-L27 PolarHBondContact O-N 2.84Å
24I80.7Confident73.1Confident97 Ų97116.1 Ų116.150%0.49757%0.572SS.*Hα-helixtrans-61.4-44.2173.7-66.9164.2000110.4S20 I21 R26 L27 Q28S20-I24 VanDerWaalsContact O-CG1 3.27Å; S20-I24 WeakPolarHBondContact O-CG1 3.48Å; S20-I24 PolarHBondContact O-N 3.14Å; I21-I24 PolarHBondContact O-N 3.31Å; I24-R26 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 2.86Å; I24-L27 PolarHBondContact O-N 3.43Å; I24-Q28 WeakPolarHBondContact O-CG 3.33Å; I24-Q28 PolarHBondContact O-N 3.45Å
25W76.3Confident70.1Confident186 Ų186118.8 Ų118.871%0.70559%0.586SS**Hα-helixtrans-62.7-40.2175.9-115.560.4000112.2I21 A22 F23 Q28 K29I21-W25 WeakPolarHBondContact O-CB 3.49Å; I21-W25 PolarHBondContact O-N 3.41Å; A22-W25 PolarHBondContact O-N 3.36Å; F23-W25 VanDerWaalsContact C-N 3.34Å; F23-W25 PolarHBondContact O-N 3.38Å; W25-Q28 PolarHBondContact O-N 3.36Å; W25-K29 WeakPolarHBondContact O-CB 3.48Å; W25-K29 PolarHBondContact O-N 2.86Å
26R76.4Confident67Low185 Ų185119.9 Ų119.970%0.69860%0.599SS**Hα-helixtrans-68.8-37.8177.1-164.1173.5-173.2175.81.5111.8A22 F23 I24 K29 L30A22-R26 VanDerWaalsContact O-CB 3.26Å; A22-R26 WeakPolarHBondContact O-CB 3.21Å; A22-R26 PolarHBondContact O-N 2.93Å; F23-R26 PolarHBondContact O-N 3.15Å; I24-R26 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 2.86Å; R26-K29 PolarHBondContact O-N 3.08Å; R26-L30 WeakPolarHBondContact O-CB 3.46Å; R26-L30 WeakPolarHBondContact O-CG 3.5Å; R26-L30 PolarHBondContact O-N 3.4Å
27L73.1Confident63.9Low86 Ų86118.2 Ų118.245%0.4560%0.6SS.*Hα-helixtrans-64.8-41.2172.7-83.1165.9000112.1F23 I24 L30 K31F23-L27 HydrophobicContact CD1-CD1 3.58Å; F23-L27 HydrophobicContact CD1-CG 4.38Å; F23-L27 HydrophobicContact CE1-CD1 3.32Å; F23-L27 HydrophobicContact CE1-CG 4.13Å; F23-L27 HydrophobicContact CG-CD1 4.46Å; F23-L27 HydrophobicContact CZ-CD1 4.01Å; F23-L27 HydrophobicContact CZ-CG 4.38Å; F23-L27 WeakPolarHBondContact O-CB 3.42Å; F23-L27 WeakPolarHBondContact O-CG 3.39Å; F23-L27 PolarHBondContact O-N 2.84Å; I24-L27 PolarHBondContact O-N 3.43Å; L27-L30 PolarHBondContact O-N 2.89Å; L27-K31 PolarHBondContact O-N 2.84Å; L27-K31 VanDerWaalsContact O-N 3.11Å
28Q65Low60.8Low109 Ų109121 Ų12151%0.50961%0.614SS.*Hα-helixtrans-64.7-42.9173.2-76.5-178.5-44.500110.7I24 W25 L30 K31 Y32I24-Q28 WeakPolarHBondContact O-CG 3.33Å; I24-Q28 PolarHBondContact O-N 3.45Å; W25-Q28 PolarHBondContact O-N 3.36Å; Q28-L30 PolarHBondContact O-N 3.32Å; Q28-K31 PolarHBondContact O-N 3.33Å; Q28-K31 VanDerWaalsContact O-N 3.12Å; Q28-Y32 WeakPolarHBondContact O-CD2 3.43Å; Q28-Y32 PolarHBondContact O-N 3.5Å
29K58.1Low57.7Low137 Ų137129 Ų12960%0.59664%0.635SS**Hα-helixtrans-64-38.9176.8-154.9172-175.4-179.60112W25 R26 K31 Y32 T33W25-K29 WeakPolarHBondContact O-CB 3.48Å; W25-K29 PolarHBondContact O-N 2.86Å; R26-K29 PolarHBondContact O-N 3.08Å; K29-K31 VanDerWaalsContact C-N 3.27Å; K29-K31 PolarHBondContact O-N 3.12Å; K29-Y32 CarbonylContact O-C 3.49Å; K29-Y32 PolarHBondContact O-N 2.94Å; K29-T33 HydrophobicContact CG-CG2 3.98Å; K29-T33 WeakPolarHBondContact O-CG2 3.27Å; K29-T33 PolarHBondContact O-N 3.38Å; K29-T33 PolarHBondContact O-OG1 3.23Å; K29-T33 VanDerWaalsContact O-OG1 3.08Å
30L49.7Very low54.7Low113 Ų113129.9 Ų129.959%0.59265%0.645SS**Hα-helixtrans-64.3-27.7173.6-78.3164.8000113.4R26 L27 Q28 Y32R26-L30 WeakPolarHBondContact O-CB 3.46Å; R26-L30 WeakPolarHBondContact O-CG 3.5Å; R26-L30 PolarHBondContact O-N 3.4Å; L27-L30 PolarHBondContact O-N 2.89Å; Q28-L30 PolarHBondContact O-N 3.32Å; L30-Y32 VanDerWaalsContact C-N 3.35Å
31K46.1Very low52Low188 Ų188136.4 Ų136.482%0.81767%0.667SS**Hα-helixtrans-77.8-17.9172-95.2-176.4175.8179.30113.8L27 Q28 K29L27-K31 PolarHBondContact O-N 2.84Å; L27-K31 VanDerWaalsContact O-N 3.11Å; Q28-K31 PolarHBondContact O-N 3.33Å; Q28-K31 VanDerWaalsContact O-N 3.12Å; K29-K31 VanDerWaalsContact C-N 3.27Å; K29-K31 PolarHBondContact O-N 3.12Å
32Y43.8Very low48.9Very low198 Ų198140.3 Ų140.378%0.77668%0.68SS**Hα-helixtrans-117-8.5-173.1-81.7-76.6000115Q28 K29 L30Q28-Y32 WeakPolarHBondContact O-CD2 3.43Å; Q28-Y32 PolarHBondContact O-N 3.5Å; K29-Y32 CarbonylContact O-C 3.49Å; K29-Y32 PolarHBondContact O-N 2.94Å; L30-Y32 VanDerWaalsContact C-N 3.35Å
33T36.2Very low46.3Very low75 Ų75147.7 Ų147.746%0.4670%0.695SS.*SBendtrans-92107.5170.953.30000110K29 L35K29-T33 HydrophobicContact CG-CG2 3.98Å; K29-T33 WeakPolarHBondContact O-CG2 3.27Å; K29-T33 PolarHBondContact O-N 3.38Å; K29-T33 PolarHBondContact O-OG1 3.23Å; K29-T33 VanDerWaalsContact O-OG1 3.08Å; T33-L35 PolarHBondContact O-N 3.04Å; T33-L35 VanDerWaalsContact O-N 3.15Å
34D34.7Very low43.4Very low154 Ų154149.4 Ų149.482%0.82470%0.703SS**  trans-11.7100.9163.8-61.8-47.7000114.2P36D34-P36 WeakPolarHBondContact O-CD 3.33Å
35L30.5Very low41Very low162 Ų162149 Ų14985%0.84871%0.708SS**  trans-74.4108.1155.5-100.6132.1000106.7T33 G37T33-L35 PolarHBondContact O-N 3.04Å; T33-L35 VanDerWaalsContact O-N 3.15Å; L35-G37 PolarHBondContact O-N 3.11Å
36P27.2Very low38.9Very low120 Ų120144.9 Ų144.978%0.77970%0.7SS**  trans-83.9111.5178.730.4-19.6000108.2D34D34-P36 WeakPolarHBondContact O-CD 3.33Å
37G28Very low36.6Very low55 Ų55144.5 Ų144.557%0.56770%0.704SS**SBendtrans82.7142.8162.200000116L35L35-G37 PolarHBondContact O-N 3.11Å
38I26.5Very low34.6Very low153 Ų153149.1 Ų149.179%0.78572%0.72SS**  trans75.494.2160.1-42.3159.3000111.4
39W26.4Very low32.7Very low230 Ų230151.6 Ų151.687%0.87173%0.729SS**  cis-142.2129.334-75.560.9000107.4F41W39-F41 PolarHBondContact O-N 2.81Å
40T25.5Very low31.3Very low128 Ų128150 Ų15079%0.78573%0.733SS**  trans-55.5103.9149.5520000105.2K42T40-K42 PolarHBondContact O-N 2.84Å
41F28.6Very low30.3Very low195 Ų195150.1 Ų150.186%0.85574%0.739SS**  trans-58.589.9155.2-161.7-96.7000102.4W39 R43W39-F41 PolarHBondContact O-N 2.81Å; F41-R43 PolarHBondContact O-N 3.13Å
42K23.9Very low29.4Very low185 Ų185147.8 Ų147.880%0.80474%0.735SS**  trans-55.199.9172-158.9177.7-167.6177.4099.6T40 K44T40-K42 PolarHBondContact O-N 2.84Å; K42-K44 PolarHBondContact O-N 2.67Å
43R29Very low28.7Very low212 Ų212143.5 Ų143.580%0.872%0.724SS**  trans-57.595.1171.5-171.9-173.5-87.5179.8-5.899.8F41 S45F41-R43 PolarHBondContact O-N 3.13Å; R43-S45 PolarHBondContact O-N 2.68Å
44K25.3Very low28.4Very low170 Ų170148.2 Ų148.274%0.73974%0.738SS**  trans-51.687.1137.5-92-175.1173.6-176.50100.7K42 D46K42-K44 PolarHBondContact O-N 2.67Å; K44-D46 VanDerWaalsContact CA-N 3.33Å; K44-D46 PolarHBondContact O-N 2.62Å
45S32Very low28.4Very low87 Ų87144.6 Ų144.661%0.60873%0.725SS**  -51.679.811952.50000103.7R43 K47R43-S45 PolarHBondContact O-N 2.68Å; S45-K47 PolarHBondContact O-N 3.37Å
46D31.4Very low28.8Very low101 Ų101140.3 Ų140.354%0.5471%0.705SS.*  -40.6106.4125.4-73.9-23.9000101.3K44 F48K44-D46 VanDerWaalsContact CA-N 3.33Å; K44-D46 PolarHBondContact O-N 2.62Å; D46-F48 HydrophobicContact CB-CD2 4.45Å; D46-F48 PolarHBondContact O-N 3.02Å
47K27.9Very low29.4Very low177 Ų177136.7 Ų136.777%0.7769%0.69SS**  trans-49.181150.6-66.3172.1178.5174.40103.1S45 K49S45-K47 PolarHBondContact O-N 3.37Å; K47-K49 VanDerWaalsContact CA-N 3.31Å; K47-K49 HydrophobicContact CB-CG 4.24Å; K47-K49 PolarHBondContact O-N 3.37Å
48F31Very low30.4Very low182 Ų182136.4 Ų136.480%0.79867%0.672SS**  -46.675.7113.7-69.6-79.5000104D46 P50D46-F48 HydrophobicContact CB-CD2 4.45Å; D46-F48 PolarHBondContact O-N 3.02Å; F48-P50 VanDerWaalsContact C-N 3.27Å; F48-P50 WeakPolarHBondContact O-CD 3.49Å
49K24.5Very low31.6Very low161 Ų161132.8 Ų132.870%0.765%0.652SS**  trans-37.9117.5134.4-73.3-176.9177.1-178.4099.9K47 T51K47-K49 VanDerWaalsContact CA-N 3.31Å; K47-K49 HydrophobicContact CB-CG 4.24Å; K47-K49 PolarHBondContact O-N 3.37Å; K49-T51 VanDerWaalsContact C-N 3.27Å; K49-T51 PolarHBondContact O-N 3.43Å
50P28.4Very low33Very low104 Ų104122 Ų12268%0.67561%0.611SS**  trans-42.9120159.819.9-30.2000102.1F48 L52F48-P50 VanDerWaalsContact C-N 3.27Å; F48-P50 WeakPolarHBondContact O-CD 3.49Å; P50-L52 PolarHBondContact O-N 3Å
51T29.9Very low34.3Very low116 Ų116119.7 Ų119.771%0.71259%0.594SS**  trans-55.199.9159.7-39.4000098.7K49 I53K49-T51 VanDerWaalsContact C-N 3.27Å; K49-T51 PolarHBondContact O-N 3.43Å; T51-I53 PolarHBondContact O-N 3.05Å
52L26.5Very low35.2Very low139 Ų139111.2 Ų111.273%0.72856%0.559SS**  trans-50.783140.7-96.2143.300099.6P50 K54P50-L52 PolarHBondContact O-N 3Å; L52-K54 PolarHBondContact O-N 2.98Å
53I30.4Very low36.2Very low108 Ų108106.9 Ų106.955%0.55454%0.541SS*.  trans-43.3101.3139.9-59.5173.400097.6T51 S55T51-I53 PolarHBondContact O-N 3.05Å; I53-S55 PolarHBondContact O-N 2.99Å
54K29.2Very low36.6Very low174 Ų174102.5 Ų102.576%0.75753%0.534SS*.  trans-48.3107171.1-78.6-179.7174.3-178.40100L52 V56L52-K54 PolarHBondContact O-N 2.98Å; K54-V56 HydrophobicContact CB-CG2 4.35Å; K54-V56 PolarHBondContact O-N 3.41Å
55S35.4Very low37.3Very low78 Ų7897.6 Ų97.655%0.54552%0.515SS..  trans-62.289.9164.651.3000099.3I53 G57I53-S55 PolarHBondContact O-N 2.99Å; S55-G57 PolarHBondContact O-N 2.71Å
56V38.5Very low37.7Very low71 Ų7196.8 Ų96.843%0.4351%0.509SS..  trans-62.399.8163.6-170000099.1K54 Y58K54-V56 HydrophobicContact CB-CG2 4.35Å; K54-V56 PolarHBondContact O-N 3.41Å; V56-Y58 HydrophobicContact CB-CD2 3.93Å; V56-Y58 HydrophobicContact CB-CE2 3.58Å; V56-Y58 HydrophobicContact CG1-CD1 4.43Å; V56-Y58 HydrophobicContact CG1-CD2 3.83Å; V56-Y58 HydrophobicContact CG1-CE1 3.9Å; V56-Y58 HydrophobicContact CG1-CE2 3.24Å; V56-Y58 HydrophobicContact CG1-CG 4.4Å; V56-Y58 WeakPolarHBondContact CG1-OH 3.27Å; V56-Y58 WeakPolarHBondContact O-CD2 3.49Å; V56-Y58 PolarHBondContact O-N 3.05Å
57G39.7Very low38.3Very low45 Ų4595.9 Ų95.946%0.46451%0.507SS..  trans-71.866.7-168.300000107.1S55 Q59S55-G57 PolarHBondContact O-N 2.71Å; G57-Q59 PolarHBondContact O-N 3.15Å
58Y49.2Very low39Very low49 Ų4989.1 Ų89.119%0.19248%0.478CS..  trans-70.776162.8-62.3-59.2000104.8V56 C60 F275 A299 Y301 Y313V56-Y58 HydrophobicContact CB-CD2 3.93Å; V56-Y58 HydrophobicContact CB-CE2 3.58Å; V56-Y58 HydrophobicContact CG1-CD1 4.43Å; V56-Y58 HydrophobicContact CG1-CD2 3.83Å; V56-Y58 HydrophobicContact CG1-CE1 3.9Å; V56-Y58 HydrophobicContact CG1-CE2 3.24Å; V56-Y58 HydrophobicContact CG1-CG 4.4Å; V56-Y58 WeakPolarHBondContact CG1-OH 3.27Å; V56-Y58 WeakPolarHBondContact O-CD2 3.49Å; V56-Y58 PolarHBondContact O-N 3.05Å; Y58-C60 PolarHBondContact O-N 3.34Å; Y58-F275 VanDerWaalsContact O-CZ 3.26Å; Y58-F275 WeakPolarHBondContact O-CZ 3.49Å; Y58-A299 HydrophobicContact CD1-CB 4.23Å; Y58-A299 HydrophobicContact CG-CB 4.44Å; Y58-Y301 HydrophobicContact CD1-CE1 4.24Å; Y58-Y301 HydrophobicContact CE1-CD1 4.23Å; Y58-Y301 AromaticContact CE1-CE1 3.82Å; Y58-Y301 HydrophobicContact CE1-CE1 3.82Å; Y58-Y313 HydrophobicContact CD1-CD2 4.1Å; Y58-Y313 AromaticContact CD1-CE2 3.51Å; Y58-Y313 HydrophobicContact CD1-CE2 3.51Å; Y58-Y313 AromaticContact CD1-CZ 4Å; Y58-Y313 HydrophobicContact CD2-CE2 4.41Å; Y58-Y313 HydrophobicContact CE1-CD2 4.39Å; Y58-Y313 AromaticContact CE1-CE2 3.42Å; Y58-Y313 HydrophobicContact CE1-CE2 3.42Å; Y58-Y313 VanDerWaalsContact CE1-CE2 3.42Å; Y58-Y313 AromaticContact CE1-CZ 3.79Å; Y58-Y313 HydrophobicContact CE2-CE2 4.3Å; Y58-Y313 AromaticContact CE2-CZ 3.82Å; Y58-Y313 VanDerWaalsContact CE2-OH 3.24Å; Y58-Y313 WeakPolarHBondContact CE2-OH 3.45Å; Y58-Y313 HydrophobicContact CG-CE2 4.04Å; Y58-Y313 AromaticContact CZ-CE2 3.82Å; Y58-Y313 AromaticContact CZ-CZ 3.67Å; Y58-Y313 PolarHBondContact OH-OH 2.84Å
59Q51.7Low39.5Very low77 Ų7788.5 Ų88.536%0.3647%0.47SS..  trans-76.7107.1166.9-176.3162.2-28.200104.4G57 D61 N219 A299 N300G57-Q59 PolarHBondContact O-N 3.15Å; Q59-D61 PolarHBondContact O-N 3.06Å; Q59-N219 PolarHBondContact NE2-ND2 3.42Å; Q59-A299 WeakPolarHBondContact O-CA 3.34Å; Q59-N300 PolarHBondContact O-N 3.44Å
60C55.8Low40.6Very low2 Ų284.9 Ų84.91%0.01446%0.462CS..BIsolated β-bridgetrans-62.9127.3157.8-660000106.6Y58 S62 T272 C298 A299Y58-C60 PolarHBondContact O-N 3.34Å; C60-S62 PolarHBondContact O-N 3.3Å; C60-T272 HydrophobicContact CB-CG2 4.1Å; C60-C298 WeakPolarHBondContact CA-O 3.35Å; C60-C298 HydrophobicContact CB-CB 3.74Å; C60-C298 WeakPolarHBondContact CB-O 3.35Å; C60-C298 WeakPolarHBondContact CB-SG 3.38Å; C60-C298 WeakPolarHBondContact SG-CB 3.38Å; C60-C298 CovalentContact SG-SG 2.08Å; C60-C298 PolarHBondContact SG-SG 3.32Å; C60-A299 VanDerWaalsContact SG-CA 3.51Å; C60-A299 PolarHBondContact SG-N 3.27Å
61D52.4Low41.4Very low81 Ų8183.5 Ų83.543%0.43345%0.446SS..  trans-57.793.3-179-101-8.7000108Q59 H63 C298 N300Q59-D61 PolarHBondContact O-N 3.06Å; D61-H63 PolarHBondContact O-N 2.95Å; D61-C298 PolarHBondContact N-O 3.34Å; D61-N300 PolarHBondContact OD1-ND2 3.35Å; D61-N300 PolarHBondContact OD2-ND2 2.69Å
62S48Very low42.1Very low16 Ų1681.5 Ų81.511%0.11243%0.431CS..  trans-80.498.9159.137.50000103.1C60 N64 N219 N271C60-S62 PolarHBondContact O-N 3.3Å; S62-N64 PolarHBondContact O-N 2.96Å; S62-N219 WeakPolarHBondContact OG-CB 3.42Å; S62-N219 PolarHBondContact OG-ND2 3.35Å; S62-N271 WeakPolarHBondContact CB-OD1 3.08Å
63H44.4Very low42.8Very low95 Ų9579.4 Ų79.444%0.4442%0.42SS..  trans-47.8139.2176.3-77.7-65.4000109.9D61 I65 F68D61-H63 PolarHBondContact O-N 2.95Å; H63-I65 PolarHBondContact O-N 3.29Å; H63-F68 HydrophobicContact CB-CE2 3.7Å; H63-F68 HydrophobicContact CB-CZ 4.46Å; H63-F68 WeakPolarHBondContact O-CD2 3.44Å; H63-F68 WeakPolarHBondContact O-CE2 3.42Å
64N37.6Very low43.4Very low120 Ų12079.4 Ų79.464%0.64242%0.42SS*.  trans-22.1100.7-174.6-117.3-21.7000114S62 S66 V67 F68S62-N64 PolarHBondContact O-N 2.96Å; N64-S66 PolarHBondContact O-N 3.09Å; N64-V67 HydrophobicContact CB-CG2 4.4Å; N64-V67 PolarHBondContact O-N 3.3Å; N64-F68 WeakPolarHBondContact O-CD2 3.33Å; N64-F68 PolarHBondContact O-N 3.04Å
65I39.5Very low43.9Very low67 Ų6777.7 Ų77.734%0.34441%0.41SS..Hα-helixtrans-50-23.8175.6-71.7168000111.7H63 F68 R69 N219H63-I65 PolarHBondContact O-N 3.29Å; I65-F68 PolarHBondContact O-N 3.13Å; I65-R69 HydrophobicContact CG2-CG 4.05Å; I65-R69 WeakPolarHBondContact O-CB 3.31Å; I65-R69 WeakPolarHBondContact O-CG 3.42Å; I65-R69 PolarHBondContact O-N 3.47Å; I65-N219 HydrophobicContact CD1-CB 3.96Å
66S41.2Very low44.1Very low69 Ų6977.2 Ų77.248%0.48340%0.404SS..Hα-helixtrans-62.1-44.5174.955.90000113.5N64 F68 T70N64-S66 PolarHBondContact O-N 3.09Å; S66-F68 VanDerWaalsContact C-N 3.34Å; S66-T70 PolarHBondContact O-N 2.8Å; S66-T70 PolarHBondContact O-OG1 3.4Å
67V43.8Very low43.9Very low83 Ų8382.3 Ų82.350%0.50342%0.42SS..Hα-helixtrans-70.1-37.1177.6-1790000110.1N64 T70 Q71N64-V67 HydrophobicContact CB-CG2 4.4Å; N64-V67 PolarHBondContact O-N 3.3Å; V67-T70 PolarHBondContact O-N 2.82Å; V67-Q71 PolarHBondContact O-N 2.88Å
68F42.5Very low43.9Very low35 Ų3584.9 Ų84.915%0.15443%0.426CS..Hα-helixtrans-70.5-37.3175.8-76.6-85000113.3H63 N64 I65 S66 T70 Q71 I72 Q268 V321 L323H63-F68 HydrophobicContact CB-CE2 3.7Å; H63-F68 HydrophobicContact CB-CZ 4.46Å; H63-F68 WeakPolarHBondContact O-CD2 3.44Å; H63-F68 WeakPolarHBondContact O-CE2 3.42Å; N64-F68 WeakPolarHBondContact O-CD2 3.33Å; N64-F68 PolarHBondContact O-N 3.04Å; I65-F68 PolarHBondContact O-N 3.13Å; S66-F68 VanDerWaalsContact C-N 3.34Å; F68-T70 PolarHBondContact O-N 2.62Å; F68-Q71 PolarHBondContact O-N 3.32Å; F68-I72 HydrophobicContact CB-CD1 4.38Å; F68-I72 VanDerWaalsContact O-CB 3.25Å; F68-I72 WeakPolarHBondContact O-CB 3.28Å; F68-I72 VanDerWaalsContact O-CG1 3.23Å; F68-I72 WeakPolarHBondContact O-CG1 3.37Å; F68-I72 PolarHBondContact O-N 3.41Å; F68-Q268 WeakPolarHBondContact CE1-O 3.24Å; F68-Q268 HydrophobicContact CZ-CB 4.31Å; F68-Q268 VanDerWaalsContact CZ-O 3.25Å; F68-Q268 WeakPolarHBondContact CZ-O 3.29Å; F68-V321 HydrophobicContact CE1-CG2 4.33Å; F68-L323 HydrophobicContact CE1-CD1 3.91Å
69R42.1Very low43.1Very low169 Ų16993.5 Ų93.564%0.63846%0.458SS*.Hα-helixtrans-59.3-35.8173.6-85.6-175.6-173.2179.23.7110.6I65 N73I65-R69 HydrophobicContact CG2-CG 4.05Å; I65-R69 WeakPolarHBondContact O-CB 3.31Å; I65-R69 WeakPolarHBondContact O-CG 3.42Å; I65-R69 PolarHBondContact O-N 3.47Å; R69-N73 WeakPolarHBondContact O-CA 2.9Å; R69-N73 WeakPolarHBondContact O-CB 3.37Å; R69-N73 PolarHBondContact O-N 3.23Å; R69-N73 PolarHBondContact O-ND2 3.01Å
70T46.2Very low42.8Very low85 Ų8595.9 Ų95.952%0.52147%0.469SS..Hα-helixtrans-69.2-44.1176.2-31.20000111.4S66 V67 F68 N73 I74S66-T70 PolarHBondContact O-N 2.8Å; S66-T70 PolarHBondContact O-OG1 3.4Å; V67-T70 PolarHBondContact O-N 2.82Å; F68-T70 PolarHBondContact O-N 2.62Å; T70-N73 PolarHBondContact O-N 3.18Å; T70-I74 WeakPolarHBondContact O-CD1 3.42Å; T70-I74 WeakPolarHBondContact O-CG1 3.35Å; T70-I74 PolarHBondContact O-N 3.09Å
71Q45.1Very low41.9Very low75 Ų75103.3 Ų103.335%0.3550%0.504SS..Hα-helixtrans-68.1-46.7176.3-72.3-174.9-8.500112.6V67 F68 N73 I74 Y75V67-Q71 PolarHBondContact O-N 2.88Å; F68-Q71 PolarHBondContact O-N 3.32Å; Q71-N73 VanDerWaalsContact C-N 3.27Å; Q71-N73 PolarHBondContact O-N 3.36Å; Q71-I74 CarbonylContact O-C 3.53Å; Q71-I74 WeakPolarHBondContact O-CA 3.17Å; Q71-I74 WeakPolarHBondContact O-CB 3.28Å; Q71-I74 PolarHBondContact O-N 3.36Å; Q71-Y75 WeakPolarHBondContact O-CD2 2.97Å; Q71-Y75 PolarHBondContact O-N 3.32Å
72I44.4Very low41.4Very low74 Ų74104 Ų10438%0.37952%0.515SS..Hα-helixtrans-57-44171.3-67.5167.1000109.3F68 I74 Y75 T76F68-I72 HydrophobicContact CB-CD1 4.38Å; F68-I72 VanDerWaalsContact O-CB 3.25Å; F68-I72 WeakPolarHBondContact O-CB 3.28Å; F68-I72 VanDerWaalsContact O-CG1 3.23Å; F68-I72 WeakPolarHBondContact O-CG1 3.37Å; F68-I72 PolarHBondContact O-N 3.41Å; I72-I74 VanDerWaalsContact C-N 3.28Å; I72-I74 PolarHBondContact O-N 2.97Å; I72-Y75 CarbonylContact O-C 3.52Å; I72-Y75 PolarHBondContact O-N 3.47Å; I72-Y75 VanDerWaalsContact O-N 3.16Å; I72-T76 HydrophobicContact CG2-CG2 3.96Å; I72-T76 WeakPolarHBondContact O-CB 3.48Å; I72-T76 VanDerWaalsContact O-CG2 3.29Å; I72-T76 WeakPolarHBondContact O-CG2 3.44Å; I72-T76 PolarHBondContact O-N 3.35Å; I72-T76 PolarHBondContact O-OG1 3.35Å
73N41.8Very low41.2Very low95 Ų95106.7 Ų106.751%0.50853%0.528SS..Hα-helixtrans-63.9-31.7175.2-77.9-19.2000112.6R69 T70 Q71 T76 K77R69-N73 WeakPolarHBondContact O-CA 2.9Å; R69-N73 WeakPolarHBondContact O-CB 3.37Å; R69-N73 PolarHBondContact O-N 3.23Å; R69-N73 PolarHBondContact O-ND2 3.01Å; T70-N73 PolarHBondContact O-N 3.18Å; Q71-N73 VanDerWaalsContact C-N 3.27Å; Q71-N73 PolarHBondContact O-N 3.36Å; N73-T76 VanDerWaalsContact CA-OG1 3.29Å; N73-T76 WeakPolarHBondContact CA-OG1 3.43Å; N73-T76 PolarHBondContact O-OG1 3.25Å; N73-K77 WeakPolarHBondContact O-CA 3.45Å; N73-K77 WeakPolarHBondContact O-CB 3.29Å; N73-K77 PolarHBondContact O-N 3.06Å
74I44.2Very low41.6Very low108 Ų108108.2 Ų108.255%0.55455%0.55SS*.Hα-helixtrans-69.5-43.5172.6-70.6159.9000110T70 Q71 I72 K77 V78T70-I74 WeakPolarHBondContact O-CD1 3.42Å; T70-I74 WeakPolarHBondContact O-CG1 3.35Å; T70-I74 PolarHBondContact O-N 3.09Å; Q71-I74 CarbonylContact O-C 3.53Å; Q71-I74 WeakPolarHBondContact O-CA 3.17Å; Q71-I74 WeakPolarHBondContact O-CB 3.28Å; Q71-I74 PolarHBondContact O-N 3.36Å; I72-I74 VanDerWaalsContact C-N 3.28Å; I72-I74 PolarHBondContact O-N 2.97Å; I74-K77 PolarHBondContact O-N 3.2Å; I74-V78 PolarHBondContact O-N 3.35Å
75Y38.8Very low42.4Very low137 Ų137104.7 Ų104.754%0.53753%0.534SS..Hα-helixtrans-68.5-34.9175.4-77.8-73.5000113Q71 I72 V78 L323Q71-Y75 WeakPolarHBondContact O-CD2 2.97Å; Q71-Y75 PolarHBondContact O-N 3.32Å; I72-Y75 CarbonylContact O-C 3.52Å; I72-Y75 PolarHBondContact O-N 3.47Å; I72-Y75 VanDerWaalsContact O-N 3.16Å; Y75-V78 WeakPolarHBondContact O-CB 3.2Å; Y75-V78 PolarHBondContact O-N 3Å; Y75-L323 HydrophobicContact CE2-CD2 4.25Å
76T39.9Very low43.2Very low68 Ų68110.1 Ų110.142%0.41756%0.562SS.*Hα-helixtrans-83.3-21.9174.562.80000112.3I72 N73 V78I72-T76 HydrophobicContact CG2-CG2 3.96Å; I72-T76 WeakPolarHBondContact O-CB 3.48Å; I72-T76 VanDerWaalsContact O-CG2 3.29Å; I72-T76 WeakPolarHBondContact O-CG2 3.44Å; I72-T76 PolarHBondContact O-N 3.35Å; I72-T76 PolarHBondContact O-OG1 3.35Å; N73-T76 VanDerWaalsContact CA-OG1 3.29Å; N73-T76 WeakPolarHBondContact CA-OG1 3.43Å; N73-T76 PolarHBondContact O-OG1 3.25Å; T76-V78 PolarHBondContact O-N 3.49Å
77K33.5Very low44.3Very low179 Ų179114.3 Ų114.378%0.77858%0.579SS**SBendtrans-74-9.9167.9-105.1-175167.7178.40112.9N73 I74 R79N73-K77 WeakPolarHBondContact O-CA 3.45Å; N73-K77 WeakPolarHBondContact O-CB 3.29Å; N73-K77 PolarHBondContact O-N 3.06Å; I74-K77 PolarHBondContact O-N 3.2Å; K77-R79 PolarHBondContact O-N 3.07Å
78V40.2Very low45.6Very low98 Ų98111.3 Ų111.359%0.59456%0.561SS**SBendtrans-65.184.4160.5-173.70000106.5I74 Y75 T76 H80I74-V78 PolarHBondContact O-N 3.35Å; Y75-V78 WeakPolarHBondContact O-CB 3.2Å; Y75-V78 PolarHBondContact O-N 3Å; T76-V78 PolarHBondContact O-N 3.49Å; V78-H80 PolarHBondContact O-N 2.92Å
79R32Very low47.7Very low230 Ų230116 Ų11687%0.86858%0.582SS**  trans-40.8112170.5-139.9178.9-149.1171.24105.7K77 Q81K77-R79 PolarHBondContact O-N 3.07Å; R79-Q81 PolarHBondContact O-N 3.43Å; R79-Q81 VanDerWaalsContact O-N 3.09Å
80H45.4Very low50Low127 Ų127109 Ų10959%0.58856%0.558SS**  trans-44.8120.5-178.8-62.1-66.6000109.1V78 S82V78-H80 PolarHBondContact O-N 2.92Å; H80-S82 PolarHBondContact O-N 3.39Å
81Q38.2Very low52.2Low159 Ų159104.9 Ų104.974%0.74353%0.533SS*.  trans-64.590.4147.4-84.1-179.4-13.300105R79 N83R79-Q81 PolarHBondContact O-N 3.43Å; R79-Q81 VanDerWaalsContact O-N 3.09Å; Q81-N83 PolarHBondContact O-N 3.37Å
82S40.3Very low54.5Low96 Ų96101.3 Ų101.367%0.67152%0.517SS*.  trans-59.287.2159.152.90000106.5H80 S84H80-S82 PolarHBondContact O-N 3.39Å; S82-S84 PolarHBondContact O-N 2.66Å
83N44.6Very low56.9Low71 Ų7197.8 Ų97.838%0.3850%0.499SS..  trans-79.4119169.8-83.9-8.4000109.4Q81 C85Q81-N83 PolarHBondContact O-N 3.37Å; N83-C85 VanDerWaalsContact C-N 3.34Å; N83-C85 PolarHBondContact O-N 3.1Å
84S51.9Low59.4Low127 Ų12793.3 Ų93.389%0.88847%0.474SS*.SBendtrans49.6-14.8153.466.60000123.4S82S82-S84 PolarHBondContact O-N 2.66Å
85C55Low61.7Low46 Ų4688.2 Ų88.231%0.31145%0.448SS..  trans-120.596.8175.6-157.90000112.2N83 D87 C88N83-C85 VanDerWaalsContact C-N 3.34Å; N83-C85 PolarHBondContact O-N 3.1Å; C85-D87 VanDerWaalsContact C-N 3.31Å; C85-C88 HydrophobicContact CB-CB 3.64Å; C85-C88 WeakPolarHBondContact CB-SG 2.92Å; C85-C88 WeakPolarHBondContact SG-CA 3.36Å; C85-C88 WeakPolarHBondContact SG-CB 3.32Å; C85-C88 PolarHBondContact SG-N 3.25Å; C85-C88 CovalentContact SG-SG 2Å; C85-C88 PolarHBondContact SG-SG 3.23Å
86I56Low64.1Low181 Ų18181.7 Ų81.793%0.92842%0.423SS*.SBendtrans-72.6-28.4179.5-64.5167.5000110.7
87D64.3Low66.2Low157 Ų15782.3 Ų82.384%0.8442%0.423SS*.SBendtrans-120.318.2-172.9-158.925.1000113.9C85 K89C85-D87 VanDerWaalsContact C-N 3.31Å; D87-K89 PolarHBondContact O-N 3.06Å
88C71.7Confident68.5Low21 Ų2175.9 Ų75.914%0.14240%0.401CS..PPolyproline II helixtrans-71.8130.3177.6-83.10000110.7C85 S90 E141 R143C85-C88 HydrophobicContact CB-CB 3.64Å; C85-C88 WeakPolarHBondContact CB-SG 2.92Å; C85-C88 WeakPolarHBondContact SG-CA 3.36Å; C85-C88 WeakPolarHBondContact SG-CB 3.32Å; C85-C88 PolarHBondContact SG-N 3.25Å; C85-C88 CovalentContact SG-SG 2Å; C85-C88 PolarHBondContact SG-SG 3.23Å; C88-S90 PolarHBondContact O-N 2Å; C88-E141 PolarHBondContact SG-O 3.2Å; C88-R143 HydrophobicContact CB-CB 4.16Å
89K86Confident70.2Confident133 Ų13378.2 Ų78.258%0.57840%0.403SS*.EExtended strand (participates in β ladder)trans-56.9130169.8-157.7-172.9-161.3-169.70109.5D87 P117 E142 R143D87-K89 PolarHBondContact O-N 3.06Å; K89-P117 HydrophobicContact CD-CB 3.94Å; K89-P117 HydrophobicContact CD-CG 3.55Å; K89-P117 HydrophobicContact CG-CB 4.46Å; K89-P117 HydrophobicContact CG-CG 3.87Å; K89-E142 WeakPolarHBondContact O-CA 3.15Å; K89-E142 WeakPolarHBondContact O-CB 3.39Å; K89-R143 PolarHBondContact O-N 2.92Å
90S89.8Confident72.5Confident21 Ų2171.4 Ų71.415%0.14739%0.39CS..EExtended strand (participates in β ladder)trans-80.5137.7175.8-70.20000110.5C88 R143 R145C88-S90 PolarHBondContact O-N 2Å; S90-R143 WeakPolarHBondContact CA-O 3.08Å; S90-R145 PolarHBondContact OG-NE 2.97Å; S90-R145 VanDerWaalsContact OG-NE 3.09Å
91S92.8Very high74.3Confident0 Ų066.2 Ų66.20%037%0.368CS..EExtended strand (participates in β ladder)trans-140.2166.8-176.4640000114.4P117 E142 R143 R145S91-P117 CarbonylContact C-O 3.57Å; S91-P117 WeakPolarHBondContact CA-O 3.43Å; S91-P117 VanDerWaalsContact CB-O 3.29Å; S91-P117 WeakPolarHBondContact CB-O 3.36Å; S91-E142 WeakPolarHBondContact CB-OE2 3.2Å; S91-E142 PolarHBondContact OG-OE2 2.9Å; S91-R143 PolarHBondContact N-O 2.79Å; S91-R145 PolarHBondContact O-N 2.85Å
92I94.5Very high76.4Confident0 Ų063.1 Ų63.10%036%0.362CS..EExtended strand (participates in β ladder)trans-113.3134.1175-61.3-178.6000109.1V94 I111 I116 P117 H118 H119 I146 I148 I350 F358I92-V94 HydrophobicContact CG2-CG2 4.14Å; I92-I111 HydrophobicContact CG2-CD1 4.32Å; I92-I116 HydrophobicContact CB-CG2 4.47Å; I92-I116 HydrophobicContact CD1-CB 4.43Å; I92-I116 HydrophobicContact CD1-CD1 3.97Å; I92-I116 HydrophobicContact CD1-CG2 3.67Å; I92-I116 HydrophobicContact CG1-CG2 3.71Å; I92-P117 PolarHBondContact N-O 2.65Å; I92-H118 HydrophobicContact CB-CB 4.39Å; I92-H118 CarbonylContact O-C 3.57Å; I92-H118 WeakPolarHBondContact O-CA 3.29Å; I92-H118 WeakPolarHBondContact O-CB 3.33Å; I92-H119 PolarHBondContact O-N 3.2Å; I92-I146 WeakPolarHBondContact CA-O 3.12Å; I92-I146 HydrophobicContact CD1-CD1 4.44Å; I92-I146 HydrophobicContact CG1-CB 4.19Å; I92-I146 HydrophobicContact CG2-CB 4.33Å; I92-I148 HydrophobicContact CG2-CD1 3.8Å; I92-I148 HydrophobicContact CG2-CG1 3.9Å; I92-I350 HydrophobicContact CD1-CG2 3.86Å; I92-F358 HydrophobicContact CD1-CD2 3.96Å; I92-F358 HydrophobicContact CD1-CE2 3.73Å; I92-F358 HydrophobicContact CD1-CZ 4.47Å; I92-F358 HydrophobicContact CG1-CD2 4.17Å; I92-F358 HydrophobicContact CG1-CE2 3.41Å; I92-F358 VanDerWaalsContact CG1-CE2 3.41Å; I92-F358 HydrophobicContact CG1-CZ 3.89Å
93V94.1Very high78.6Confident0 Ų059.3 Ų59.30%034%0.335CS..EExtended strand (participates in β ladder)trans-103.4130.1171178.50000109.1F95 H119 I121 L135 I138 I144 I146 I147 I148V93-F95 HydrophobicContact CG1-CD2 4.42Å; V93-F95 HydrophobicContact CG1-CE1 4.48Å; V93-F95 HydrophobicContact CG1-CE2 3.97Å; V93-F95 HydrophobicContact CG1-CZ 4.01Å; V93-H119 HydrophobicContact CG2-CB 4.29Å; V93-I121 HydrophobicContact CG1-CD1 3.43Å; V93-I121 VanDerWaalsContact CG1-CD1 3.43Å; V93-I121 HydrophobicContact CG1-CG1 4.21Å; V93-L135 HydrophobicContact CB-CD2 4.47Å; V93-L135 HydrophobicContact CG1-CD2 4.12Å; V93-L135 HydrophobicContact CG2-CD2 4.22Å; V93-I138 HydrophobicContact CG2-CD1 4.22Å; V93-I144 HydrophobicContact CB-CG2 4.48Å; V93-I144 HydrophobicContact CG2-CD1 3.79Å; V93-I144 HydrophobicContact CG2-CG1 3.91Å; V93-I144 HydrophobicContact CG2-CG2 3.92Å; V93-I146 PolarHBondContact N-O 3.25Å; V93-I147 HydrophobicContact CB-CG1 4.32Å; V93-I147 CarbonylContact O-C 3.5Å; V93-I147 VanDerWaalsContact O-CA 3.32Å; V93-I147 WeakPolarHBondContact O-CA 3.48Å; V93-I148 PolarHBondContact O-N 2.91Å
94V93.4Very high80.6Confident0 Ų056 Ų560%032%0.317CS..EExtended strand (participates in β ladder)trans-114.9115178-169.50000109I92 T96 L107 I111 H119 I121 I148I92-V94 HydrophobicContact CG2-CG2 4.14Å; V94-T96 HydrophobicContact CB-CG2 4.48Å; V94-T96 HydrophobicContact CG1-CG2 3.71Å; V94-L107 HydrophobicContact CG1-CD1 4.43Å; V94-I111 HydrophobicContact CG2-CD1 3.47Å; V94-I111 VanDerWaalsContact CG2-CD1 3.47Å; V94-H119 PolarHBondContact N-O 2.96Å; V94-I121 PolarHBondContact O-N 3.14Å; V94-I148 CarbonylContact C-O 3.47Å; V94-I148 WeakPolarHBondContact CA-O 3.45Å; V94-I148 HydrophobicContact CG1-CB 4.26Å; V94-I148 HydrophobicContact CG1-CG2 4.39Å; V94-I148 HydrophobicContact CG2-CB 4.33Å
95F92.5Very high82.4Confident1 Ų157.7 Ų57.70%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-88.5118.2170.8-70.6-68000110V93 I121 M123 I131 L135 I147 I148 F149 E150V93-F95 HydrophobicContact CG1-CD2 4.42Å; V93-F95 HydrophobicContact CG1-CE1 4.48Å; V93-F95 HydrophobicContact CG1-CE2 3.97Å; V93-F95 HydrophobicContact CG1-CZ 4.01Å; F95-I121 WeakPolarHBondContact CA-O 3.49Å; F95-I121 HydrophobicContact CD1-CB 3.87Å; F95-I121 HydrophobicContact CD1-CD1 4.25Å; F95-I121 HydrophobicContact CD1-CG2 4.26Å; F95-I121 HydrophobicContact CE1-CB 3.94Å; F95-I121 HydrophobicContact CE1-CD1 3.55Å; F95-I121 HydrophobicContact CE1-CG1 4.34Å; F95-I121 HydrophobicContact CE1-CG2 4.13Å; F95-I121 HydrophobicContact CZ-CD1 3.95Å; F95-M123 HydrophobicContact CB-CG 4.28Å; F95-M123 HydrophobicContact CD1-CE 3.63Å; F95-M123 HydrophobicContact CD1-CG 3.6Å; F95-M123 HydrophobicContact CD1-SD 3.88Å; F95-M123 HydrophobicContact CE1-CE 3.53Å; F95-M123 HydrophobicContact CE1-CG 4.39Å; F95-M123 HydrophobicContact CE1-SD 4.08Å; F95-M123 HydrophobicContact CG-CG 4.31Å; F95-I131 HydrophobicContact CD1-CD1 4.42Å; F95-I131 HydrophobicContact CE1-CD1 3.76Å; F95-I131 HydrophobicContact CE1-CG1 3.76Å; F95-I131 HydrophobicContact CE2-CD1 4.03Å; F95-I131 HydrophobicContact CE2-CG1 4.42Å; F95-I131 HydrophobicContact CZ-CD1 3.54Å; F95-I131 HydrophobicContact CZ-CG1 3.53Å; F95-L135 HydrophobicContact CE2-CD2 4.37Å; F95-L135 HydrophobicContact CZ-CD1 4.21Å; F95-L135 HydrophobicContact CZ-CD2 3.97Å; F95-L135 HydrophobicContact CZ-CG 4.22Å; F95-I147 HydrophobicContact CD2-CG2 3.48Å; F95-I147 VanDerWaalsContact CD2-CG2 3.48Å; F95-I147 HydrophobicContact CE2-CG2 3.54Å; F95-I148 PolarHBondContact N-O 3.32Å; F95-F149 HydrophobicContact CB-CD1 3.72Å; F95-F149 HydrophobicContact CB-CE1 3.94Å; F95-F149 HydrophobicContact CB-CG 4.49Å; F95-F149 AromaticContact CD2-CD1 3.98Å; F95-F149 HydrophobicContact CD2-CD1 3.98Å; F95-F149 AromaticContact CD2-CE1 3.44Å; F95-F149 HydrophobicContact CD2-CE1 3.44Å; F95-F149 VanDerWaalsContact CD2-CE1 3.44Å; F95-F149 HydrophobicContact CD2-CE2 4.37Å; F95-F149 AromaticContact CD2-CZ 3.67Å; F95-F149 HydrophobicContact CD2-CZ 3.67Å; F95-F149 HydrophobicContact CE2-CE1 4.19Å; F95-F149 HydrophobicContact CE2-CZ 4.09Å; F95-F149 HydrophobicContact CG-CD1 4.16Å; F95-F149 AromaticContact CG-CE1 3.86Å; F95-F149 HydrophobicContact CG-CE1 3.86Å; F95-E150 WeakPolarHBondContact O-CB 3.44Å; F95-E150 PolarHBondContact O-N 2.99Å
96T89.8Confident83.9Confident0 Ų058.3 Ų58.30%030%0.3CS..EExtended strand (participates in β ladder)trans-119.1150.7-173.663.20000110.9V94 S104 V120 I121 S122 M123 E150V94-T96 HydrophobicContact CB-CG2 4.48Å; V94-T96 HydrophobicContact CG1-CG2 3.71Å; T96-S104 WeakPolarHBondContact CG2-OG 3.47Å; T96-V120 HydrophobicContact CG2-CG1 3.71Å; T96-I121 PolarHBondContact N-O 2.85Å; T96-I121 PolarHBondContact OG1-O 3.38Å; T96-S122 CarbonylContact O-C 3.57Å; T96-S122 WeakPolarHBondContact O-CA 3.43Å; T96-M123 PolarHBondContact O-N 3.05Å; T96-E150 WeakPolarHBondContact CA-OE2 3.41Å; T96-E150 WeakPolarHBondContact CB-OE2 3.34Å
97L83.3Confident85.6Confident82 Ų8249.7 Ų49.743%0.42926%0.256SS..SBendtrans-70.4-40173.1-70.4169.7000110.8S122 E150 N151 I154 L182L97-S122 PolarHBondContact O-OG 2.82Å; L97-E150 PolarHBondContact N-OE2 3.01Å; L97-N151 HydrophobicContact CD1-CB 3.98Å; L97-N151 HydrophobicContact CD2-CB 4.15Å; L97-N151 HydrophobicContact CG-CB 4.04Å; L97-I154 HydrophobicContact CD2-CD1 3.88Å; L97-I154 HydrophobicContact CD2-CG1 4.35Å; L97-I154 HydrophobicContact CG-CD1 4.45Å; L97-L182 HydrophobicContact CD1-CD1 4.31Å
98S83.1Confident86.8Confident43 Ų4343.1 Ų43.130%0.30122%0.222SC..  trans-148.1142.1174172.50000109.6S100 S101 S104 S122S98-S100 PolarHBondContact O-N 2.73Å; S98-S100 VanDerWaalsContact O-N 3.1Å; S98-S100 PolarHBondContact OG-N 3.38Å; S98-S100 VanDerWaalsContact OG-N 3.15Å; S98-S100 PolarHBondContact OG-OG 2.99Å; S98-S101 PolarHBondContact O-N 2.77Å; S98-S101 VanDerWaalsContact O-N 3.16Å; S98-S104 WeakPolarHBondContact O-CB 3.14Å; S98-S104 PolarHBondContact O-OG 2.91Å; S98-S122 WeakPolarHBondContact CA-OG 3.29Å
99K76Confident87.6Confident147 Ų14746.8 Ų46.864%0.63924%0.237SC*.THydrogen-bonded Turntrans-58-22.6171.8-63.8-170.9177.9-178.60113
100S79.5Confident87.6Confident87 Ų8741.2 Ų41.261%0.60821%0.213SC*.THydrogen-bonded Turntrans-99.2-1.3-178.362.30000114.5S98S98-S100 PolarHBondContact O-N 2.73Å; S98-S100 VanDerWaalsContact O-N 3.1Å; S98-S100 PolarHBondContact OG-N 3.38Å; S98-S100 VanDerWaalsContact OG-N 3.15Å; S98-S100 PolarHBondContact OG-OG 2.99Å
101S82.8Confident87.6Confident18 Ų1840.2 Ų40.213%0.12621%0.206CC..  trans-62.4143.5-178.683.90000110.6S98 T103 S104 R105 E150S98-S101 PolarHBondContact O-N 2.77Å; S98-S101 VanDerWaalsContact O-N 3.16Å; S101-T103 PolarHBondContact O-N 3.06Å; S101-S104 PolarHBondContact O-N 3.05Å; S101-S104 WeakPolarHBondContact OG-CB 3.33Å; S101-S104 PolarHBondContact OG-N 3.35Å; S101-R105 PolarHBondContact O-N 3.31Å; S101-E150 WeakPolarHBondContact CB-OE1 3.4Å; S101-E150 VanDerWaalsContact OG-CD 3.26Å; S101-E150 PolarHBondContact OG-OE1 3.45Å; S101-E150 PolarHBondContact OG-OE2 3.47Å
102P84.1Confident87.3Confident95 Ų9546 Ų4662%0.61723%0.231SC*.Hα-helixtrans-54.4-40.7175.6-26.935000112.5R105 Y106P102-R105 PolarHBondContact O-N 3.11Å; P102-Y106 WeakPolarHBondContact O-CB 3.46Å; P102-Y106 PolarHBondContact O-N 3.23Å
103T85Confident86.7Confident15 Ų1547.8 Ų47.89%0.09224%0.242CC..Hα-helixtrans-61.7-47.5177-45.20000112.1S101 Y106 L107 E150 L182 R335 P336S101-T103 PolarHBondContact O-N 3.06Å; T103-Y106 WeakPolarHBondContact O-CB 3.37Å; T103-Y106 PolarHBondContact O-N 2.94Å; T103-L107 WeakPolarHBondContact O-CG 3.29Å; T103-L107 PolarHBondContact O-N 2.67Å; T103-E150 WeakPolarHBondContact CB-OE1 3.22Å; T103-E150 HydrophobicContact CG2-CG 3.53Å; T103-L182 HydrophobicContact CG2-CD2 4.46Å; T103-R335 HydrophobicContact CG2-CG 4.23Å; T103-P336 HydrophobicContact CG2-CG 3.25Å
104S87.9Confident86.1Confident2 Ų248.3 Ų48.31%0.01425%0.245CC..Hα-helixtrans-60.1-49.1176.41720000111.3T96 S98 S101 Y106 L107 V108T96-S104 WeakPolarHBondContact CG2-OG 3.47Å; S98-S104 WeakPolarHBondContact O-CB 3.14Å; S98-S104 PolarHBondContact O-OG 2.91Å; S101-S104 PolarHBondContact O-N 3.05Å; S101-S104 WeakPolarHBondContact OG-CB 3.33Å; S101-S104 PolarHBondContact OG-N 3.35Å; S104-Y106 VanDerWaalsContact C-N 3.28Å; S104-Y106 PolarHBondContact O-N 2.88Å; S104-L107 PolarHBondContact O-N 2.67Å; S104-V108 WeakPolarHBondContact O-CB 3.23Å; S104-V108 VanDerWaalsContact O-CG2 3.26Å; S104-V108 WeakPolarHBondContact O-CG2 3.44Å; S104-V108 PolarHBondContact O-N 3.41Å
105R88.7Confident85.7Confident163 Ų16352 Ų5262%0.61526%0.264SS*.Hα-helixtrans-57.8-41.9176.7-71.1-167.8-67.1160.7-0.6112S101 P102 H109S101-R105 PolarHBondContact O-N 3.31Å; P102-R105 PolarHBondContact O-N 3.11Å; R105-H109 WeakPolarHBondContact O-CB 3.49Å; R105-H109 PolarHBondContact O-N 3.08Å
106Y87.8Confident85.4Confident58 Ų5852.3 Ų52.323%0.22727%0.266CS..Hα-helixtrans-63.3-48.8177.7175.5-90.1000112.3P102 T103 S104 H109 I110 P336 G337 S343P102-Y106 WeakPolarHBondContact O-CB 3.46Å; P102-Y106 PolarHBondContact O-N 3.23Å; T103-Y106 WeakPolarHBondContact O-CB 3.37Å; T103-Y106 PolarHBondContact O-N 2.94Å; S104-Y106 VanDerWaalsContact C-N 3.28Å; S104-Y106 PolarHBondContact O-N 2.88Å; Y106-H109 PolarHBondContact O-N 3.41Å; Y106-I110 HydrophobicContact CD1-CD1 4.02Å; Y106-I110 HydrophobicContact CE1-CD1 3.34Å; Y106-I110 HydrophobicContact CE1-CG1 4.45Å; Y106-I110 HydrophobicContact CE2-CD1 4.23Å; Y106-I110 VanDerWaalsContact CZ-CD1 3.49Å; Y106-I110 PolarHBondContact O-N 2.94Å; Y106-I110 VanDerWaalsContact O-N 3.09Å; Y106-P336 HydrophobicContact CD1-CB 3.87Å; Y106-P336 HydrophobicContact CD1-CG 4.47Å; Y106-P336 HydrophobicContact CE1-CB 3.76Å; Y106-G337 VanDerWaalsContact CZ-CA 3.42Å; Y106-S343 VanDerWaalsContact OH-CB 3.29Å; Y106-S343 WeakPolarHBondContact OH-CB 3.34Å; Y106-S343 PolarHBondContact OH-OG 2.98Å
107L90.3Very high85.5Confident0 Ų053.6 Ų53.60%027%0.274CS..Hα-helixtrans-61-47.8177.4-69.2174.9000111.6V94 T103 S104 H109 I110 I111 I148 E150 F180 P336 L346V94-L107 HydrophobicContact CG1-CD1 4.43Å; T103-L107 WeakPolarHBondContact O-CG 3.29Å; T103-L107 PolarHBondContact O-N 2.67Å; S104-L107 PolarHBondContact O-N 2.67Å; L107-H109 VanDerWaalsContact C-N 3.28Å; L107-H109 PolarHBondContact O-N 3.38Å; L107-I110 PolarHBondContact O-N 3.38Å; L107-I111 VanDerWaalsContact O-CG1 3.32Å; L107-I111 WeakPolarHBondContact O-CG1 3.43Å; L107-I111 PolarHBondContact O-N 2.9Å; L107-I111 VanDerWaalsContact O-N 3.08Å; L107-I148 HydrophobicContact CD1-CG2 4.24Å; L107-E150 HydrophobicContact CD1-CB 4.29Å; L107-E150 HydrophobicContact CD1-CG 4.4Å; L107-F180 HydrophobicContact CD1-CD2 4.37Å; L107-F180 HydrophobicContact CD1-CE2 4.2Å; L107-F180 HydrophobicContact CD2-CD2 4.46Å; L107-F180 HydrophobicContact CD2-CE2 3.59Å; L107-F180 HydrophobicContact CD2-CZ 3.86Å; L107-P336 HydrophobicContact CD1-CG 4.47Å; L107-P336 HydrophobicContact CD2-CB 4.03Å; L107-P336 HydrophobicContact CD2-CG 4.06Å; L107-P336 HydrophobicContact CG-CG 4.21Å; L107-L346 HydrophobicContact CD2-CD2 3.52Å
108V90.4Very high86Confident19 Ų1952.1 Ų52.112%0.11527%0.265CS..Hα-helixtrans-61.9-38.2178.2171.90000111.1S104 I111 K112 V120S104-V108 WeakPolarHBondContact O-CB 3.23Å; S104-V108 VanDerWaalsContact O-CG2 3.26Å; S104-V108 WeakPolarHBondContact O-CG2 3.44Å; S104-V108 PolarHBondContact O-N 3.41Å; V108-I111 PolarHBondContact O-N 3.3Å; V108-K112 HydrophobicContact CG1-CD 3.95Å; V108-K112 HydrophobicContact CG1-CG 4.27Å; V108-K112 WeakPolarHBondContact O-CB 3.44Å; V108-K112 VanDerWaalsContact O-CG 3.28Å; V108-K112 WeakPolarHBondContact O-CG 3.33Å; V108-K112 PolarHBondContact O-N 3.27Å; V108-V120 HydrophobicContact CG2-CG1 4.4Å; V108-V120 HydrophobicContact CG2-CG2 3.53Å
109H87.5Confident86.4Confident99 Ų9952.8 Ų52.846%0.45826%0.263SS..Hα-helixtrans-62.6-46.4176.7-173.571.7000111.7R105 Y106 L107 I111 K112 V113R105-H109 WeakPolarHBondContact O-CB 3.49Å; R105-H109 PolarHBondContact O-N 3.08Å; Y106-H109 PolarHBondContact O-N 3.41Å; L107-H109 VanDerWaalsContact C-N 3.28Å; L107-H109 PolarHBondContact O-N 3.38Å; H109-I111 VanDerWaalsContact C-N 3.33Å; H109-I111 PolarHBondContact O-N 2.9Å; H109-K112 PolarHBondContact O-N 3.09Å; H109-V113 VanDerWaalsContact O-CG2 3.31Å; H109-V113 WeakPolarHBondContact O-CG2 3.22Å; H109-V113 PolarHBondContact O-N 3.39Å
110I85.9Confident87.2Confident16 Ų1647.8 Ų47.88%0.08225%0.245CC..Hα-helixtrans-58.4-45.3176-70.4176.2000111.2Y106 L107 V113 L114 L346 L347Y106-I110 HydrophobicContact CD1-CD1 4.02Å; Y106-I110 HydrophobicContact CE1-CD1 3.34Å; Y106-I110 HydrophobicContact CE1-CG1 4.45Å; Y106-I110 HydrophobicContact CE2-CD1 4.23Å; Y106-I110 VanDerWaalsContact CZ-CD1 3.49Å; Y106-I110 PolarHBondContact O-N 2.94Å; Y106-I110 VanDerWaalsContact O-N 3.09Å; L107-I110 PolarHBondContact O-N 3.38Å; I110-V113 PolarHBondContact O-N 3.28Å; I110-L114 PolarHBondContact O-N 3.01Å; I110-L346 HydrophobicContact CD1-CD2 3.92Å; I110-L346 HydrophobicContact CG2-CD2 4.29Å; I110-L347 HydrophobicContact CG2-CD2 3.55Å; I110-L347 HydrophobicContact CG2-CG 4.32Å
111I89.5Confident87.7Confident0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-67.3-39.7-179-63.2165000111.5I92 V94 L107 V108 H109 V113 L114 L115 I116 H118 I148 I350I92-I111 HydrophobicContact CG2-CD1 4.32Å; V94-I111 HydrophobicContact CG2-CD1 3.47Å; V94-I111 VanDerWaalsContact CG2-CD1 3.47Å; L107-I111 VanDerWaalsContact O-CG1 3.32Å; L107-I111 WeakPolarHBondContact O-CG1 3.43Å; L107-I111 PolarHBondContact O-N 2.9Å; L107-I111 VanDerWaalsContact O-N 3.08Å; V108-I111 PolarHBondContact O-N 3.3Å; H109-I111 VanDerWaalsContact C-N 3.33Å; H109-I111 PolarHBondContact O-N 2.9Å; I111-V113 VanDerWaalsContact C-N 3.34Å; I111-V113 PolarHBondContact O-N 2.89Å; I111-L114 PolarHBondContact O-N 2.84Å; I111-L115 PolarHBondContact O-N 2.96Å; I111-I116 HydrophobicContact CG2-CB 4.02Å; I111-I116 HydrophobicContact CG2-CG2 4.48Å; I111-I116 PolarHBondContact O-N 3.09Å; I111-H118 HydrophobicContact CG2-CB 3.74Å; I111-I148 HydrophobicContact CD1-CD1 4.01Å; I111-I350 HydrophobicContact CG1-CD1 4.42Å
112K87.8Confident87.9Confident120 Ų12045 Ų4552%0.52222%0.224SC..Hα-helixtrans-61.8-41.1175.2-79.6178.2176.8-177.10112.1V108 H109 L114 L115V108-K112 HydrophobicContact CG1-CD 3.95Å; V108-K112 HydrophobicContact CG1-CG 4.27Å; V108-K112 WeakPolarHBondContact O-CB 3.44Å; V108-K112 VanDerWaalsContact O-CG 3.28Å; V108-K112 WeakPolarHBondContact O-CG 3.33Å; V108-K112 PolarHBondContact O-N 3.27Å; H109-K112 PolarHBondContact O-N 3.09Å; K112-L114 PolarHBondContact O-N 2.83Å; K112-L115 PolarHBondContact O-N 3.32Å
113V81.2Confident87.7Confident39 Ų3941 Ų4124%0.23620%0.197CC..Hα-helixtrans-61.2-34.3176.6168.20000111.4H109 I110 I111 L115 F372 I375H109-V113 VanDerWaalsContact O-CG2 3.31Å; H109-V113 WeakPolarHBondContact O-CG2 3.22Å; H109-V113 PolarHBondContact O-N 3.39Å; I110-V113 PolarHBondContact O-N 3.28Å; I111-V113 VanDerWaalsContact C-N 3.34Å; I111-V113 PolarHBondContact O-N 2.89Å; V113-L115 PolarHBondContact O-N 3.34Å; V113-F372 HydrophobicContact CG1-CE1 3.77Å; V113-F372 HydrophobicContact CG1-CZ 4.03Å; V113-I375 HydrophobicContact CG1-CD1 4.16Å; V113-I375 HydrophobicContact CG2-CD1 3.97Å
114L82.3Confident87.1Confident10 Ų1044.4 Ų44.45%0.05222%0.215CC..THydrogen-bonded Turntrans-77.7-1.5174.7-66.9174.2000114.2I110 I111 K112 I116 L347 I350 A360I110-L114 PolarHBondContact O-N 3.01Å; I111-L114 PolarHBondContact O-N 2.84Å; K112-L114 PolarHBondContact O-N 2.83Å; L114-I116 HydrophobicContact CB-CD1 3.63Å; L114-I116 HydrophobicContact CB-CG1 3.76Å; L114-I116 HydrophobicContact CD1-CD1 3.82Å; L114-I116 HydrophobicContact CG-CD1 4.38Å; L114-I116 PolarHBondContact O-N 3.43Å; L114-L347 HydrophobicContact CD1-CD2 3.27Å; L114-L347 HydrophobicContact CD2-CD2 3.79Å; L114-L347 HydrophobicContact CG-CD2 3.67Å; L114-I350 HydrophobicContact CD1-CD1 4.22Å; L114-I350 HydrophobicContact CD1-CG2 4.4Å; L114-A360 WeakPolarHBondContact CD2-O 3.37Å
115L84.9Confident86.1Confident77 Ų7753 Ų5340%0.40325%0.254SS..THydrogen-bonded Turntrans5431.9-176.4-58.8179.3000113.2I111 K112 V113 P362 P363 H366I111-L115 PolarHBondContact O-N 2.96Å; K112-L115 PolarHBondContact O-N 3.32Å; V113-L115 PolarHBondContact O-N 3.34Å; L115-P362 HydrophobicContact CD1-CB 3.96Å; L115-P363 HydrophobicContact CD1-CG 4.08Å; L115-H366 HydrophobicContact CD1-CB 3.93Å
116I86.6Confident85.1Confident8 Ų848.7 Ų48.74%0.04125%0.254CS..  trans-88.4129.7179.8-60.5169000109.6I92 I111 L114 H118 I350 F358I92-I116 HydrophobicContact CB-CG2 4.47Å; I92-I116 HydrophobicContact CD1-CB 4.43Å; I92-I116 HydrophobicContact CD1-CD1 3.97Å; I92-I116 HydrophobicContact CD1-CG2 3.67Å; I92-I116 HydrophobicContact CG1-CG2 3.71Å; I111-I116 HydrophobicContact CG2-CB 4.02Å; I111-I116 HydrophobicContact CG2-CG2 4.48Å; I111-I116 PolarHBondContact O-N 3.09Å; L114-I116 HydrophobicContact CB-CD1 3.63Å; L114-I116 HydrophobicContact CB-CG1 3.76Å; L114-I116 HydrophobicContact CD1-CD1 3.82Å; L114-I116 HydrophobicContact CG-CD1 4.38Å; L114-I116 PolarHBondContact O-N 3.43Å; I116-H118 PolarHBondContact O-N 2.6Å; I116-H118 PolarHBondContact O-ND1 3.24Å; I116-I350 HydrophobicContact CD1-CG2 3.73Å; I116-F358 HydrophobicContact CB-CD1 4.49Å; I116-F358 HydrophobicContact CD1-CB 3.7Å; I116-F358 HydrophobicContact CD1-CD1 4.09Å; I116-F358 HydrophobicContact CD1-CD2 4.02Å; I116-F358 HydrophobicContact CD1-CG 3.68Å; I116-F358 HydrophobicContact CG1-CB 4.29Å; I116-F358 HydrophobicContact CG1-CD1 3.92Å; I116-F358 HydrophobicContact CG1-CE1 4.46Å; I116-F358 HydrophobicContact CG1-CG 4.05Å; I116-F358 HydrophobicContact CG2-CD1 3.81Å; I116-F358 HydrophobicContact CG2-CD2 4.27Å; I116-F358 HydrophobicContact CG2-CE1 3.49Å; I116-F358 VanDerWaalsContact CG2-CE1 3.49Å; I116-F358 HydrophobicContact CG2-CE2 4Å; I116-F358 HydrophobicContact CG2-CG 4.21Å; I116-F358 HydrophobicContact CG2-CZ 3.6Å
117P90.3Very high84.3Confident28 Ų2850.1 Ų50.118%0.18226%0.263CS..  trans-58.7131.1171.3-22.835.6000110.3K89 S91 I92K89-P117 HydrophobicContact CD-CB 3.94Å; K89-P117 HydrophobicContact CD-CG 3.55Å; K89-P117 HydrophobicContact CG-CB 4.46Å; K89-P117 HydrophobicContact CG-CG 3.87Å; S91-P117 CarbonylContact C-O 3.57Å; S91-P117 WeakPolarHBondContact CA-O 3.43Å; S91-P117 VanDerWaalsContact CB-O 3.29Å; S91-P117 WeakPolarHBondContact CB-O 3.36Å; I92-P117 PolarHBondContact N-O 2.65Å
118H93.5Very high83.4Confident51 Ų5151.1 Ų51.124%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-147.7150.5-175.561.5-79.7000113.4I92 I111 I116I92-H118 HydrophobicContact CB-CB 4.39Å; I92-H118 CarbonylContact O-C 3.57Å; I92-H118 WeakPolarHBondContact O-CA 3.29Å; I92-H118 WeakPolarHBondContact O-CB 3.33Å; I111-H118 HydrophobicContact CG2-CB 3.74Å; I116-H118 PolarHBondContact O-N 2.6Å; I116-H118 PolarHBondContact O-ND1 3.24Å
119H92.5Very high82.8Confident57 Ų5753.3 Ų53.326%0.26428%0.284SS..EExtended strand (participates in β ladder)trans-114.2129.9174-63.4-82.7000109.3I92 V93 V94 I138 E142I92-H119 PolarHBondContact O-N 3.2Å; V93-H119 HydrophobicContact CG2-CB 4.29Å; V94-H119 PolarHBondContact N-O 2.96Å; H119-I138 HydrophobicContact CB-CD1 4.09Å; H119-E142 IonicContact CD2-OE2 2.67Å; H119-E142 PolarHBondContact CD2-OE2 3.07Å; H119-E142 IonicContact CE1-OE2 3.61Å; H119-E142 VanDerWaalsContact NE2-CD 3.32Å; H119-E142 IonicContact NE2-OE1 3.43Å; H119-E142 IonicContact NE2-OE2 3.28Å; H119-E142 PolarHBondContact NE2-OE2 3.3Å
120V91.9Very high82.6Confident41 Ų4155 Ų5525%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-108.4112.5176.1-173.30000108.8T96 V108T96-V120 HydrophobicContact CG2-CG1 3.71Å; V108-V120 HydrophobicContact CG2-CG1 4.4Å; V108-V120 HydrophobicContact CG2-CG2 3.53Å
121I89.8Confident82.6Confident15 Ų1554.3 Ų54.38%0.07729%0.286CS..EExtended strand (participates in β ladder)trans-110.8114.4-178.5-49.6166.8000107.9V93 V94 F95 T96 M123 L134 I138V93-I121 HydrophobicContact CG1-CD1 3.43Å; V93-I121 VanDerWaalsContact CG1-CD1 3.43Å; V93-I121 HydrophobicContact CG1-CG1 4.21Å; V94-I121 PolarHBondContact O-N 3.14Å; F95-I121 WeakPolarHBondContact CA-O 3.49Å; F95-I121 HydrophobicContact CD1-CB 3.87Å; F95-I121 HydrophobicContact CD1-CD1 4.25Å; F95-I121 HydrophobicContact CD1-CG2 4.26Å; F95-I121 HydrophobicContact CE1-CB 3.94Å; F95-I121 HydrophobicContact CE1-CD1 3.55Å; F95-I121 HydrophobicContact CE1-CG1 4.34Å; F95-I121 HydrophobicContact CE1-CG2 4.13Å; F95-I121 HydrophobicContact CZ-CD1 3.95Å; T96-I121 PolarHBondContact N-O 2.85Å; T96-I121 PolarHBondContact OG1-O 3.38Å; I121-M123 HydrophobicContact CB-CE 4.18Å; I121-M123 HydrophobicContact CG2-CE 3.18Å; I121-M123 PolarHBondContact O-N 3.01Å; I121-L134 HydrophobicContact CB-CD2 4.29Å; I121-L134 HydrophobicContact CD1-CD2 3.48Å; I121-L134 VanDerWaalsContact CD1-CD2 3.48Å; I121-L134 HydrophobicContact CD1-CG 3.9Å; I121-L134 HydrophobicContact CG1-CD2 3.88Å; I121-L134 HydrophobicContact CG2-CD2 3.42Å; I121-L134 VanDerWaalsContact CG2-CD2 3.42Å; I121-I138 HydrophobicContact CD1-CD1 4.1Å
122S87.9Confident82.4Confident31 Ų3154.7 Ų54.722%0.21729%0.289CS..EExtended strand (participates in β ladder)trans-75.1124.4170.4-152.50000108.1T96 L97 S98 Q127T96-S122 CarbonylContact O-C 3.57Å; T96-S122 WeakPolarHBondContact O-CA 3.43Å; L97-S122 PolarHBondContact O-OG 2.82Å; S98-S122 WeakPolarHBondContact CA-OG 3.29Å; S122-Q127 PolarHBondContact O-OE1 2.67Å
123M79.3Confident82.3Confident13 Ų1353.9 Ų53.96%0.06429%0.291CS..  trans-96.7112.3175.4-71.5-77.6114.900108.7F95 T96 I121 Q127 L128 I131 I154F95-M123 HydrophobicContact CB-CG 4.28Å; F95-M123 HydrophobicContact CD1-CE 3.63Å; F95-M123 HydrophobicContact CD1-CG 3.6Å; F95-M123 HydrophobicContact CD1-SD 3.88Å; F95-M123 HydrophobicContact CE1-CE 3.53Å; F95-M123 HydrophobicContact CE1-CG 4.39Å; F95-M123 HydrophobicContact CE1-SD 4.08Å; F95-M123 HydrophobicContact CG-CG 4.31Å; T96-M123 PolarHBondContact O-N 3.05Å; I121-M123 HydrophobicContact CB-CE 4.18Å; I121-M123 HydrophobicContact CG2-CE 3.18Å; I121-M123 PolarHBondContact O-N 3.01Å; M123-Q127 HydrophobicContact CE-CB 4.46Å; M123-L128 HydrophobicContact CB-CD2 4.3Å; M123-L128 HydrophobicContact CG-CD2 4.35Å; M123-L128 HydrophobicContact SD-CD2 3.73Å; M123-I131 HydrophobicContact SD-CD1 4.36Å; M123-I154 HydrophobicContact CB-CD1 4.29Å; M123-I154 HydrophobicContact CG-CG2 4.4Å
124N73.7Confident82.5Confident86 Ų8655 Ų5546%0.4630%0.295SS..  trans-96.7163.8155.968.523.4000108.9A126 Q127 L128N124-A126 PolarHBondContact O-N 2.85Å; N124-A126 VanDerWaalsContact O-N 3.13Å; N124-A126 WeakPolarHBondContact OD1-CB 3.39Å; N124-A126 PolarHBondContact OD1-N 3.49Å; N124-A126 VanDerWaalsContact OD1-N 3.16Å; N124-Q127 PolarHBondContact O-N 3.07Å; N124-Q127 WeakPolarHBondContact OD1-CB 3.26Å; N124-Q127 VanDerWaalsContact OD1-CG 3.27Å; N124-Q127 WeakPolarHBondContact OD1-CG 3.48Å; N124-Q127 PolarHBondContact OD1-N 3.29Å; N124-L128 PolarHBondContact O-N 3.15Å
125H65.8Low82.8Confident181 Ų18154.7 Ų54.784%0.83829%0.293SS*.THydrogen-bonded Turntrans-54.7-33.4179.5-83.5-73.4000113.2Q127H125-Q127 VanDerWaalsContact C-N 3.35Å; H125-Q127 PolarHBondContact O-N 2.91Å
126A67.5Low82.8Confident74 Ų7454 Ų5461%0.61229%0.29SS*.THydrogen-bonded Turntrans-71.5-24.9179.700000113.9N124 S129N124-A126 PolarHBondContact O-N 2.85Å; N124-A126 VanDerWaalsContact O-N 3.13Å; N124-A126 WeakPolarHBondContact OD1-CB 3.39Å; N124-A126 PolarHBondContact OD1-N 3.49Å; N124-A126 VanDerWaalsContact OD1-N 3.16Å; A126-S129 PolarHBondContact O-OG 3.36Å
127Q71Confident82.9Confident87 Ų8756.2 Ų56.241%0.40731%0.306SS..THydrogen-bonded Turntrans-90.3-13-178.1-76.1-173.4-30.100113.8S122 M123 N124 H125 S129 K130S122-Q127 PolarHBondContact O-OE1 2.67Å; M123-Q127 HydrophobicContact CE-CB 4.46Å; N124-Q127 PolarHBondContact O-N 3.07Å; N124-Q127 WeakPolarHBondContact OD1-CB 3.26Å; N124-Q127 VanDerWaalsContact OD1-CG 3.27Å; N124-Q127 WeakPolarHBondContact OD1-CG 3.48Å; N124-Q127 PolarHBondContact OD1-N 3.29Å; H125-Q127 VanDerWaalsContact C-N 3.35Å; H125-Q127 PolarHBondContact O-N 2.91Å; Q127-S129 PolarHBondContact O-N 3.02Å; Q127-K130 PolarHBondContact O-N 3.34Å
128L72.3Confident82.6Confident22 Ų2255.6 Ų55.612%0.11530%0.301CS..G310 helixtrans-58.9-32.3176.4-66.1172.8000112.3M123 N124 K130 I131 I154 L158M123-L128 HydrophobicContact CB-CD2 4.3Å; M123-L128 HydrophobicContact CG-CD2 4.35Å; M123-L128 HydrophobicContact SD-CD2 3.73Å; N124-L128 PolarHBondContact O-N 3.15Å; L128-K130 PolarHBondContact O-N 3.18Å; L128-I131 WeakPolarHBondContact O-CG2 3.38Å; L128-I131 PolarHBondContact O-N 2.87Å; L128-I154 HydrophobicContact CD2-CG2 3.68Å; L128-L158 HydrophobicContact CB-CD2 4.23Å; L128-L158 HydrophobicContact CD2-CD2 3.81Å
129S77.9Confident82.2Confident64 Ų6455 Ų5545%0.44830%0.302SS..G310 helixtrans-67.1-23.2178.259.90000113.7A126 Q127A126-S129 PolarHBondContact O-OG 3.36Å; Q127-S129 PolarHBondContact O-N 3.02Å
130K83.4Confident81.7Confident136 Ų13659.7 Ų59.759%0.59133%0.325SS*.G310 helixtrans-103.67.5-175.9-60.3-175178.8-1760113.6Q127 L128 S132 D133 L134Q127-K130 PolarHBondContact O-N 3.34Å; L128-K130 PolarHBondContact O-N 3.18Å; K130-S132 VanDerWaalsContact C-N 3.28Å; K130-S132 PolarHBondContact O-N 3.17Å; K130-D133 PolarHBondContact O-N 3.44Å; K130-L134 WeakPolarHBondContact O-CB 3.06Å; K130-L134 PolarHBondContact O-N 3.24Å
131I85.5Confident81.2Confident0 Ų065 Ų650%035%0.347CS..Hα-helixtrans-59.2-40.1-175.1-164.6169.8000112.1F95 M123 L128 L135 L158 Q162 L166F95-I131 HydrophobicContact CD1-CD1 4.42Å; F95-I131 HydrophobicContact CE1-CD1 3.76Å; F95-I131 HydrophobicContact CE1-CG1 3.76Å; F95-I131 HydrophobicContact CE2-CD1 4.03Å; F95-I131 HydrophobicContact CE2-CG1 4.42Å; F95-I131 HydrophobicContact CZ-CD1 3.54Å; F95-I131 HydrophobicContact CZ-CG1 3.53Å; M123-I131 HydrophobicContact SD-CD1 4.36Å; L128-I131 WeakPolarHBondContact O-CG2 3.38Å; L128-I131 PolarHBondContact O-N 2.87Å; I131-L135 HydrophobicContact CG1-CD1 4.11Å; I131-L135 WeakPolarHBondContact O-CB 3.34Å; I131-L135 VanDerWaalsContact O-CG 3.24Å; I131-L135 WeakPolarHBondContact O-CG 3.04Å; I131-L135 PolarHBondContact O-N 3.34Å; I131-L158 HydrophobicContact CD1-CD1 4.38Å; I131-L158 HydrophobicContact CD1-CD2 4.31Å; I131-L158 HydrophobicContact CG2-CD2 4.41Å; I131-Q162 HydrophobicContact CG2-CB 4.19Å; I131-Q162 HydrophobicContact CG2-CG 4.46Å; I131-L166 HydrophobicContact CD1-CD2 4.42Å
132S84.5Confident81Confident8 Ų865.9 Ų65.96%0.05635%0.351CS..Hα-helixtrans-65.1-47.6179-175.20000111.2K130 L134 L135 N136K130-S132 VanDerWaalsContact C-N 3.28Å; K130-S132 PolarHBondContact O-N 3.17Å; S132-L134 VanDerWaalsContact C-N 3.32Å; S132-L134 PolarHBondContact O-N 2.9Å; S132-L135 PolarHBondContact O-N 3.28Å; S132-N136 WeakPolarHBondContact O-CB 3.39Å; S132-N136 PolarHBondContact O-N 2.85Å; S132-N136 PolarHBondContact O-ND2 3.2Å; S132-N136 PolarHBondContact OG-ND2 3.06Å
133D86Confident81Confident104 Ų10467.9 Ų67.956%0.55635%0.353SS*.Hα-helixtrans-61.1-42.8179.6-59.3-28.6000111.5K130 N136 S137K130-D133 PolarHBondContact O-N 3.44Å; D133-N136 PolarHBondContact O-N 3.48Å; D133-S137 PolarHBondContact O-N 2.9Å; D133-S137 PolarHBondContact O-OG 2.94Å
134L86.7Confident81.7Confident63 Ų6367.5 Ų67.533%0.3335%0.351SS..Hα-helixtrans-66.7-40.3178.4-178.258.6000112.5I121 K130 S132 N136 S137 I138I121-L134 HydrophobicContact CB-CD2 4.29Å; I121-L134 HydrophobicContact CD1-CD2 3.48Å; I121-L134 VanDerWaalsContact CD1-CD2 3.48Å; I121-L134 HydrophobicContact CD1-CG 3.9Å; I121-L134 HydrophobicContact CG1-CD2 3.88Å; I121-L134 HydrophobicContact CG2-CD2 3.42Å; I121-L134 VanDerWaalsContact CG2-CD2 3.42Å; K130-L134 WeakPolarHBondContact O-CB 3.06Å; K130-L134 PolarHBondContact O-N 3.24Å; S132-L134 VanDerWaalsContact C-N 3.32Å; S132-L134 PolarHBondContact O-N 2.9Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-S137 PolarHBondContact O-N 2.68Å; L134-S137 PolarHBondContact O-OG 2.95Å; L134-I138 HydrophobicContact CD1-CD1 4.43Å; L134-I138 HydrophobicContact CG-CD1 4.37Å; L134-I138 WeakPolarHBondContact O-CD1 3.4Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.29Å; L134-I138 PolarHBondContact O-N 3.48Å; L134-I138 VanDerWaalsContact O-N 3.11Å
135L87.4Confident82.6Confident2 Ų265 Ų651%0.0134%0.335CS..Hα-helixtrans-68.9-36.1175.2-71.3172.8000111.5V93 F95 I131 S132 I138 S139 I144 I147 L166 L169V93-L135 HydrophobicContact CB-CD2 4.47Å; V93-L135 HydrophobicContact CG1-CD2 4.12Å; V93-L135 HydrophobicContact CG2-CD2 4.22Å; F95-L135 HydrophobicContact CE2-CD2 4.37Å; F95-L135 HydrophobicContact CZ-CD1 4.21Å; F95-L135 HydrophobicContact CZ-CD2 3.97Å; F95-L135 HydrophobicContact CZ-CG 4.22Å; I131-L135 HydrophobicContact CG1-CD1 4.11Å; I131-L135 WeakPolarHBondContact O-CB 3.34Å; I131-L135 VanDerWaalsContact O-CG 3.24Å; I131-L135 WeakPolarHBondContact O-CG 3.04Å; I131-L135 PolarHBondContact O-N 3.34Å; S132-L135 PolarHBondContact O-N 3.28Å; L135-I138 PolarHBondContact O-N 3.2Å; L135-S139 VanDerWaalsContact O-CB 3.23Å; L135-S139 WeakPolarHBondContact O-CB 3Å; L135-S139 PolarHBondContact O-N 2.87Å; L135-S139 PolarHBondContact O-OG 2.88Å; L135-I144 HydrophobicContact CB-CD1 4.49Å; L135-I144 HydrophobicContact CD2-CD1 3.73Å; L135-I147 HydrophobicContact CD1-CD1 4.38Å; L135-I147 HydrophobicContact CD2-CD1 4.41Å; L135-L166 HydrophobicContact CD1-CD1 3.41Å; L135-L166 VanDerWaalsContact CD1-CD1 3.41Å; L135-L169 HydrophobicContact CB-CD1 4.13Å; L135-L169 HydrophobicContact CD1-CD1 4.46Å
136N86.3Confident84Confident63 Ų6356.3 Ų56.334%0.33730%0.295SS..Hα-helixtrans-66.6-41.2175.2-73.2-34.9000111.5S132 D133 L134 S139 Q140S132-N136 WeakPolarHBondContact O-CB 3.39Å; S132-N136 PolarHBondContact O-N 2.85Å; S132-N136 PolarHBondContact O-ND2 3.2Å; S132-N136 PolarHBondContact OG-ND2 3.06Å; D133-N136 PolarHBondContact O-N 3.48Å; L134-N136 VanDerWaalsContact C-N 3.34Å; N136-S139 PolarHBondContact O-N 3.48Å; N136-Q140 WeakPolarHBondContact O-CG 3.42Å; N136-Q140 PolarHBondContact O-N 3.49Å
137S87Confident85.4Confident54 Ų5452.9 Ų52.938%0.37827%0.267SS..Hα-helixtrans-63.6-42.1175.965.20000111.8D133 L134 S139 Q140D133-S137 PolarHBondContact O-N 2.9Å; D133-S137 PolarHBondContact O-OG 2.94Å; L134-S137 PolarHBondContact O-N 2.68Å; L134-S137 PolarHBondContact O-OG 2.95Å; S137-S139 VanDerWaalsContact C-N 3.31Å; S137-S139 PolarHBondContact O-N 3.11Å; S137-Q140 WeakPolarHBondContact O-CB 3.42Å; S137-Q140 PolarHBondContact O-N 3.28Å
138I84.3Confident86.6Confident16 Ų1648.7 Ų48.78%0.08225%0.247CC..Hα-helixtrans-64.3-40.7174.2-64.7164.4000110.4V93 H119 I121 L134 L135 Q140 E141 E142 I144V93-I138 HydrophobicContact CG2-CD1 4.22Å; H119-I138 HydrophobicContact CB-CD1 4.09Å; I121-I138 HydrophobicContact CD1-CD1 4.1Å; L134-I138 HydrophobicContact CD1-CD1 4.43Å; L134-I138 HydrophobicContact CG-CD1 4.37Å; L134-I138 WeakPolarHBondContact O-CD1 3.4Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.29Å; L134-I138 PolarHBondContact O-N 3.48Å; L134-I138 VanDerWaalsContact O-N 3.11Å; L135-I138 PolarHBondContact O-N 3.2Å; I138-Q140 PolarHBondContact O-N 3.39Å; I138-Q140 VanDerWaalsContact O-N 3.15Å; I138-E141 PolarHBondContact O-N 3.07Å; I138-E142 HydrophobicContact CG2-CB 4.38Å; I138-E142 PolarHBondContact O-N 3.19Å; I138-I144 HydrophobicContact CB-CD1 4.13Å; I138-I144 HydrophobicContact CG2-CD1 3.83Å; I138-I144 HydrophobicContact CG2-CG1 3.79Å
139S85.3Confident87.7Confident37 Ų3747.7 Ų47.726%0.25924%0.242SC..Hα-helixtrans-67.5-11.7-178.5-60.30000114.2L135 N136 S137 E142L135-S139 VanDerWaalsContact O-CB 3.23Å; L135-S139 WeakPolarHBondContact O-CB 3Å; L135-S139 PolarHBondContact O-N 2.87Å; L135-S139 PolarHBondContact O-OG 2.88Å; N136-S139 PolarHBondContact O-N 3.48Å; S137-S139 VanDerWaalsContact C-N 3.31Å; S137-S139 PolarHBondContact O-N 3.11Å; S139-E142 CarbonylContact C-O 3.56Å; S139-E142 VanDerWaalsContact CA-O 3.29Å; S139-E142 WeakPolarHBondContact CA-O 3.17Å
140Q82Confident88.4Confident157 Ų15744.9 Ų44.973%0.73422%0.222SC*.Hα-helixtrans-75.9-36.5174.5-74.3174.1-9.100112.3N136 S137 I138N136-Q140 WeakPolarHBondContact O-CG 3.42Å; N136-Q140 PolarHBondContact O-N 3.49Å; S137-Q140 WeakPolarHBondContact O-CB 3.42Å; S137-Q140 PolarHBondContact O-N 3.28Å; I138-Q140 PolarHBondContact O-N 3.39Å; I138-Q140 VanDerWaalsContact O-N 3.15Å
141E81.7Confident88.8Confident153 Ų15339.4 Ų39.472%0.71520%0.199SC*.Hα-helixtrans-103.9-30.9-175.7-63.1-179.4179.100112.5C88 I138C88-E141 PolarHBondContact SG-O 3.2Å; I138-E141 PolarHBondContact O-N 3.07Å
142E85.5Confident89.3Confident33 Ų3339.4 Ų39.415%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-131.5155.9-173.3-63.9-170.4170.800111.9K89 S91 H119 I138 S139K89-E142 WeakPolarHBondContact O-CA 3.15Å; K89-E142 WeakPolarHBondContact O-CB 3.39Å; S91-E142 WeakPolarHBondContact CB-OE2 3.2Å; S91-E142 PolarHBondContact OG-OE2 2.9Å; H119-E142 IonicContact CD2-OE2 2.67Å; H119-E142 PolarHBondContact CD2-OE2 3.07Å; H119-E142 IonicContact CE1-OE2 3.61Å; H119-E142 VanDerWaalsContact NE2-CD 3.32Å; H119-E142 IonicContact NE2-OE1 3.43Å; H119-E142 IonicContact NE2-OE2 3.28Å; H119-E142 PolarHBondContact NE2-OE2 3.3Å; I138-E142 HydrophobicContact CG2-CB 4.38Å; I138-E142 PolarHBondContact O-N 3.19Å; S139-E142 CarbonylContact C-O 3.56Å; S139-E142 VanDerWaalsContact CA-O 3.29Å; S139-E142 WeakPolarHBondContact CA-O 3.17Å
143R88.8Confident89.7Confident72 Ų7239.3 Ų39.327%0.27220%0.198SC..EExtended strand (participates in β ladder)trans-101102.1176.5-166.2159.1174.2-153.5-4.8110.6C88 K89 S90 S91 R145C88-R143 HydrophobicContact CB-CB 4.16Å; K89-R143 PolarHBondContact O-N 2.92Å; S90-R143 WeakPolarHBondContact CA-O 3.08Å; S91-R143 PolarHBondContact N-O 2.79Å; R143-R145 VanDerWaalsContact CZ-CZ 3.47Å; R143-R145 VanDerWaalsContact NE-CZ 3.29Å; R143-R145 VanDerWaalsContact NH2-NH1 3.14Å; R143-R145 PolarHBondContact O-N 2.59Å
144I92.7Very high89.9Confident5 Ų535.2 Ų35.23%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-64.1123.8176.2-55.1172.2000109.2V93 L135 I138 I147 I175V93-I144 HydrophobicContact CB-CG2 4.48Å; V93-I144 HydrophobicContact CG2-CD1 3.79Å; V93-I144 HydrophobicContact CG2-CG1 3.91Å; V93-I144 HydrophobicContact CG2-CG2 3.92Å; L135-I144 HydrophobicContact CB-CD1 4.49Å; L135-I144 HydrophobicContact CD2-CD1 3.73Å; I138-I144 HydrophobicContact CB-CD1 4.13Å; I138-I144 HydrophobicContact CG2-CD1 3.83Å; I138-I144 HydrophobicContact CG2-CG1 3.79Å; I144-I147 HydrophobicContact CG2-CG1 3.99Å; I144-I175 HydrophobicContact CB-CD1 4.19Å; I144-I175 HydrophobicContact CG2-CD1 4.09Å; I144-I175 HydrophobicContact CG2-CG2 4.12Å
145R93Very high90.2Very high33 Ų3332.4 Ų32.413%0.12516%0.161CC..EExtended strand (participates in β ladder)trans-105-38.2178-60.3-52.7-175.61756.3113.1S90 S91 R143 I175 G176 I357 F358S90-R145 PolarHBondContact OG-NE 2.97Å; S90-R145 VanDerWaalsContact OG-NE 3.09Å; S91-R145 PolarHBondContact O-N 2.85Å; R143-R145 VanDerWaalsContact CZ-CZ 3.47Å; R143-R145 VanDerWaalsContact NE-CZ 3.29Å; R143-R145 VanDerWaalsContact NH2-NH1 3.14Å; R143-R145 PolarHBondContact O-N 2.59Å; R145-I175 WeakPolarHBondContact O-CA 3.12Å; R145-G176 PolarHBondContact O-N 2.98Å; R145-I357 HydrophobicContact CG-CD1 4.28Å; R145-I357 VanDerWaalsContact CZ-CD1 3.42Å; R145-I357 VanDerWaalsContact NE-CD1 3.31Å; R145-F358 HydrophobicContact CB-CE2 3.82Å; R145-F358 HydrophobicContact CB-CZ 4.09Å; R145-F358 HydrophobicContact CG-CE2 4.17Å; R145-F358 HydrophobicContact CG-CZ 3.99Å
146I95.9Very high90.5Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-136.5137.2-175.3-56.8177.4000108.7I92 V93 I148 G176 V178 I350 L353 F358I92-I146 WeakPolarHBondContact CA-O 3.12Å; I92-I146 HydrophobicContact CD1-CD1 4.44Å; I92-I146 HydrophobicContact CG1-CB 4.19Å; I92-I146 HydrophobicContact CG2-CB 4.33Å; V93-I146 PolarHBondContact N-O 3.25Å; I146-I148 HydrophobicContact CG2-CG1 3.86Å; I146-G176 CarbonylContact C-O 3.5Å; I146-G176 VanDerWaalsContact CA-O 3.23Å; I146-G176 WeakPolarHBondContact CA-O 3.45Å; I146-V178 HydrophobicContact CG2-CG2 3.96Å; I146-I350 HydrophobicContact CD1-CB 4.32Å; I146-I350 HydrophobicContact CD1-CG2 4.1Å; I146-I350 WeakPolarHBondContact CD1-O 3.08Å; I146-L353 HydrophobicContact CD1-CB 3.93Å; I146-L353 HydrophobicContact CG1-CB 4.17Å; I146-F358 HydrophobicContact CD1-CD2 4.25Å; I146-F358 HydrophobicContact CD1-CE2 4.36Å
147I96.2Very high90.7Very high1 Ų135.3 Ų35.31%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-110.9125.7166.7-67169.4000108.3V93 F95 L135 I144 F149 L166 I175 G176 V177 V178V93-I147 HydrophobicContact CB-CG1 4.32Å; V93-I147 CarbonylContact O-C 3.5Å; V93-I147 VanDerWaalsContact O-CA 3.32Å; V93-I147 WeakPolarHBondContact O-CA 3.48Å; F95-I147 HydrophobicContact CD2-CG2 3.48Å; F95-I147 VanDerWaalsContact CD2-CG2 3.48Å; F95-I147 HydrophobicContact CE2-CG2 3.54Å; L135-I147 HydrophobicContact CD1-CD1 4.38Å; L135-I147 HydrophobicContact CD2-CD1 4.41Å; I144-I147 HydrophobicContact CG2-CG1 3.99Å; I147-F149 HydrophobicContact CB-CE2 4.5Å; I147-F149 HydrophobicContact CG2-CD2 3.96Å; I147-F149 HydrophobicContact CG2-CE2 3.41Å; I147-F149 VanDerWaalsContact CG2-CE2 3.41Å; I147-F149 HydrophobicContact CG2-CZ 3.79Å; I147-L166 HydrophobicContact CD1-CD1 3.89Å; I147-I175 HydrophobicContact CB-CG2 4.34Å; I147-I175 HydrophobicContact CD1-CD1 4.41Å; I147-I175 HydrophobicContact CD1-CG2 3.89Å; I147-I175 HydrophobicContact CG1-CG2 3.74Å; I147-G176 PolarHBondContact N-O 3.49Å; I147-V177 CarbonylContact O-C 3.57Å; I147-V177 WeakPolarHBondContact O-CA 3.24Å; I147-V178 PolarHBondContact O-N 2.92Å
148I96.2Very high90.8Very high0 Ų033.2 Ų33.20%016%0.162CC..EExtended strand (participates in β ladder)trans-110.3122.5177.9-53.5-174.9000108.8I92 V93 V94 F95 L107 I111 I146 V178 F180 I350I92-I148 HydrophobicContact CG2-CD1 3.8Å; I92-I148 HydrophobicContact CG2-CG1 3.9Å; V93-I148 PolarHBondContact O-N 2.91Å; V94-I148 CarbonylContact C-O 3.47Å; V94-I148 WeakPolarHBondContact CA-O 3.45Å; V94-I148 HydrophobicContact CG1-CB 4.26Å; V94-I148 HydrophobicContact CG1-CG2 4.39Å; V94-I148 HydrophobicContact CG2-CB 4.33Å; F95-I148 PolarHBondContact N-O 3.32Å; L107-I148 HydrophobicContact CD1-CG2 4.24Å; I111-I148 HydrophobicContact CD1-CD1 4.01Å; I146-I148 HydrophobicContact CG2-CG1 3.86Å; I148-V178 CarbonylContact C-O 3.54Å; I148-V178 WeakPolarHBondContact CA-O 3.01Å; I148-V178 HydrophobicContact CB-CB 4.4Å; I148-V178 HydrophobicContact CG1-CB 4.05Å; I148-V178 HydrophobicContact CG1-CG2 4.31Å; I148-V178 HydrophobicContact CG2-CB 4.22Å; I148-V178 HydrophobicContact CG2-CG1 4.39Å; I148-F180 HydrophobicContact CG2-CD2 4.43Å; I148-F180 HydrophobicContact CG2-CE2 4.04Å; I148-I350 HydrophobicContact CD1-CD1 4.49Å
149F95Very high91.1Very high1 Ų135.1 Ų35.10%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-99113.7171-69.4-86.5000109.8F95 I147 N151 F152 I154 Y155 L166 V177 V178 F180F95-F149 HydrophobicContact CB-CD1 3.72Å; F95-F149 HydrophobicContact CB-CE1 3.94Å; F95-F149 HydrophobicContact CB-CG 4.49Å; F95-F149 AromaticContact CD2-CD1 3.98Å; F95-F149 HydrophobicContact CD2-CD1 3.98Å; F95-F149 AromaticContact CD2-CE1 3.44Å; F95-F149 HydrophobicContact CD2-CE1 3.44Å; F95-F149 VanDerWaalsContact CD2-CE1 3.44Å; F95-F149 HydrophobicContact CD2-CE2 4.37Å; F95-F149 AromaticContact CD2-CZ 3.67Å; F95-F149 HydrophobicContact CD2-CZ 3.67Å; F95-F149 HydrophobicContact CE2-CE1 4.19Å; F95-F149 HydrophobicContact CE2-CZ 4.09Å; F95-F149 HydrophobicContact CG-CD1 4.16Å; F95-F149 AromaticContact CG-CE1 3.86Å; F95-F149 HydrophobicContact CG-CE1 3.86Å; I147-F149 HydrophobicContact CB-CE2 4.5Å; I147-F149 HydrophobicContact CG2-CD2 3.96Å; I147-F149 HydrophobicContact CG2-CE2 3.41Å; I147-F149 VanDerWaalsContact CG2-CE2 3.41Å; I147-F149 HydrophobicContact CG2-CZ 3.79Å; F149-N151 PolarHBondContact O-N 3.29Å; F149-F152 HydrophobicContact CB-CD2 4.28Å; F149-F152 HydrophobicContact CD2-CD2 4.27Å; F149-F152 HydrophobicContact CG-CD2 4.47Å; F149-I154 HydrophobicContact CD1-CB 4.3Å; F149-I154 HydrophobicContact CD1-CG2 4.32Å; F149-I154 HydrophobicContact CE1-CG2 4.27Å; F149-Y155 HydrophobicContact CE2-CD2 4Å; F149-Y155 HydrophobicContact CE2-CG 4.24Å; F149-Y155 AromaticContact CZ-CD2 3.91Å; F149-Y155 HydrophobicContact CZ-CD2 3.91Å; F149-Y155 HydrophobicContact CZ-CG 4.3Å; F149-L166 HydrophobicContact CZ-CD2 4.01Å; F149-V177 HydrophobicContact CD2-CG1 3.8Å; F149-V177 HydrophobicContact CE2-CG1 3.91Å; F149-V178 PolarHBondContact N-O 2.86Å; F149-F180 PolarHBondContact O-N 2.86Å; F149-F180 VanDerWaalsContact O-N 3.09Å
150E92.8Very high91.4Very high4 Ų438.8 Ų38.82%0.01920%0.198CC..SBendtrans-56.6-37.3170.3-174.8-166.3159.300111.3F95 T96 L97 S101 T103 L107 F180 L182F95-E150 WeakPolarHBondContact O-CB 3.44Å; F95-E150 PolarHBondContact O-N 2.99Å; T96-E150 WeakPolarHBondContact CA-OE2 3.41Å; T96-E150 WeakPolarHBondContact CB-OE2 3.34Å; L97-E150 PolarHBondContact N-OE2 3.01Å; S101-E150 WeakPolarHBondContact CB-OE1 3.4Å; S101-E150 VanDerWaalsContact OG-CD 3.26Å; S101-E150 PolarHBondContact OG-OE1 3.45Å; S101-E150 PolarHBondContact OG-OE2 3.47Å; T103-E150 WeakPolarHBondContact CB-OE1 3.22Å; T103-E150 HydrophobicContact CG2-CG 3.53Å; L107-E150 HydrophobicContact CD1-CB 4.29Å; L107-E150 HydrophobicContact CD1-CG 4.4Å; E150-F180 WeakPolarHBondContact O-CB 3.39Å; E150-L182 WeakPolarHBondContact O-CD2 3.29Å
151N92.4Very high91.8Very high22 Ų2236.5 Ų36.512%0.11819%0.191CC..SBendtrans-128.9106.8170.6-175.4-5.7000109L97 F149 A153 I154 F180 L182L97-N151 HydrophobicContact CD1-CB 3.98Å; L97-N151 HydrophobicContact CD2-CB 4.15Å; L97-N151 HydrophobicContact CG-CB 4.04Å; F149-N151 PolarHBondContact O-N 3.29Å; N151-A153 PolarHBondContact O-N 3.22Å; N151-A153 VanDerWaalsContact O-N 3.16Å; N151-A153 WeakPolarHBondContact OD1-CB 3.39Å; N151-A153 PolarHBondContact OD1-N 3.38Å; N151-I154 HydrophobicContact CB-CD1 4.16Å; N151-I154 HydrophobicContact CB-CG1 4.4Å; N151-I154 WeakPolarHBondContact O-CB 3.47Å; N151-I154 WeakPolarHBondContact O-CG1 3.42Å; N151-I154 PolarHBondContact O-N 3.29Å; N151-F180 WeakPolarHBondContact CA-O 3.19Å; N151-L182 HydrophobicContact CB-CD1 3.71Å; N151-L182 HydrophobicContact CB-CG 4.5Å
152F95.3Very high92.2Very high0 Ų030.8 Ų30.80%016%0.164CC..THydrogen-bonded Turntrans-65.1-17.4-178.7-166.6-108.8000113.1F149 I154 Y155 T156 V177 F180 L181 I197 L200 L331F149-F152 HydrophobicContact CB-CD2 4.28Å; F149-F152 HydrophobicContact CD2-CD2 4.27Å; F149-F152 HydrophobicContact CG-CD2 4.47Å; F152-I154 PolarHBondContact O-N 2.95Å; F152-Y155 HydrophobicContact CD2-CD1 4.32Å; F152-Y155 AromaticContact CE1-CD1 3.95Å; F152-Y155 HydrophobicContact CE1-CD1 3.95Å; F152-Y155 AromaticContact CE2-CD1 3.52Å; F152-Y155 HydrophobicContact CE2-CD1 3.52Å; F152-Y155 HydrophobicContact CE2-CE1 4.22Å; F152-Y155 AromaticContact CE2-CG 3.96Å; F152-Y155 HydrophobicContact CE2-CG 3.96Å; F152-Y155 AromaticContact CZ-CD1 3.31Å; F152-Y155 HydrophobicContact CZ-CD1 3.31Å; F152-Y155 AromaticContact CZ-CE1 3.77Å; F152-Y155 HydrophobicContact CZ-CE1 3.77Å; F152-Y155 HydrophobicContact CZ-CG 4.21Å; F152-Y155 WeakPolarHBondContact O-CB 3.49Å; F152-Y155 PolarHBondContact O-N 3.15Å; F152-T156 HydrophobicContact CD1-CG2 4Å; F152-T156 HydrophobicContact CE1-CG2 3.87Å; F152-T156 PolarHBondContact O-N 3.18Å; F152-V177 HydrophobicContact CE2-CG1 4.05Å; F152-F180 WeakPolarHBondContact CB-O 3.34Å; F152-F180 PolarHBondContact N-O 2.81Å; F152-L181 HydrophobicContact CB-CD2 3.99Å; F152-L181 HydrophobicContact CB-CG 4.47Å; F152-L181 HydrophobicContact CD1-CD2 3.87Å; F152-L181 HydrophobicContact CG-CD2 4.36Å; F152-I197 HydrophobicContact CD1-CG2 3.97Å; F152-I197 HydrophobicContact CE1-CG2 3.89Å; F152-L200 HydrophobicContact CE1-CD1 3.93Å; F152-L200 HydrophobicContact CZ-CD1 4.19Å; F152-L331 HydrophobicContact CD1-CD2 4.15Å; F152-L331 HydrophobicContact CD2-CD2 4.08Å; F152-L331 HydrophobicContact CE1-CD2 3.94Å; F152-L331 HydrophobicContact CE2-CD2 3.87Å; F152-L331 HydrophobicContact CG-CD2 4.2Å; F152-L331 HydrophobicContact CZ-CD2 3.79Å
153A92.7Very high92.5Very high5 Ų530.2 Ų30.24%0.04116%0.161CC..Hα-helixtrans-60.2-26.4171.200000112.4N151 Y155 T156 N157 F187N151-A153 PolarHBondContact O-N 3.22Å; N151-A153 VanDerWaalsContact O-N 3.16Å; N151-A153 WeakPolarHBondContact OD1-CB 3.39Å; N151-A153 PolarHBondContact OD1-N 3.38Å; A153-Y155 VanDerWaalsContact C-N 3.34Å; A153-Y155 PolarHBondContact O-N 3.25Å; A153-T156 WeakPolarHBondContact CA-OG1 3.32Å; A153-T156 PolarHBondContact O-N 2.69Å; A153-T156 PolarHBondContact O-OG1 2.99Å; A153-T156 VanDerWaalsContact O-OG1 3.1Å; A153-N157 WeakPolarHBondContact O-CB 3.23Å; A153-N157 PolarHBondContact O-N 3.09Å; A153-N157 PolarHBondContact O-ND2 3.01Å; A153-F187 HydrophobicContact CB-CE2 4.42Å; A153-F187 HydrophobicContact CB-CZ 4.13Å
154I90.9Very high92.7Very high19 Ų1931.6 Ų31.610%0.09717%0.173CC..Hα-helixtrans-58.3-49.2172.3-67.3163000109.9L97 M123 L128 F149 N151 F152 N157 L158L97-I154 HydrophobicContact CD2-CD1 3.88Å; L97-I154 HydrophobicContact CD2-CG1 4.35Å; L97-I154 HydrophobicContact CG-CD1 4.45Å; M123-I154 HydrophobicContact CB-CD1 4.29Å; M123-I154 HydrophobicContact CG-CG2 4.4Å; L128-I154 HydrophobicContact CD2-CG2 3.68Å; F149-I154 HydrophobicContact CD1-CB 4.3Å; F149-I154 HydrophobicContact CD1-CG2 4.32Å; F149-I154 HydrophobicContact CE1-CG2 4.27Å; N151-I154 HydrophobicContact CB-CD1 4.16Å; N151-I154 HydrophobicContact CB-CG1 4.4Å; N151-I154 WeakPolarHBondContact O-CB 3.47Å; N151-I154 WeakPolarHBondContact O-CG1 3.42Å; N151-I154 PolarHBondContact O-N 3.29Å; F152-I154 PolarHBondContact O-N 2.95Å; I154-N157 PolarHBondContact O-N 2.74Å; I154-L158 WeakPolarHBondContact O-CG 3.34Å; I154-L158 PolarHBondContact O-N 3.49Å
155Y92.9Very high92.7Very high4 Ų435 Ų352%0.01619%0.189CC..Hα-helixtrans-63.4-44.9-179.6172.2-101.4000111.7F149 F152 A153 N157 L158 L166 D167 R329F149-Y155 HydrophobicContact CE2-CD2 4Å; F149-Y155 HydrophobicContact CE2-CG 4.24Å; F149-Y155 AromaticContact CZ-CD2 3.91Å; F149-Y155 HydrophobicContact CZ-CD2 3.91Å; F149-Y155 HydrophobicContact CZ-CG 4.3Å; F152-Y155 HydrophobicContact CD2-CD1 4.32Å; F152-Y155 AromaticContact CE1-CD1 3.95Å; F152-Y155 HydrophobicContact CE1-CD1 3.95Å; F152-Y155 AromaticContact CE2-CD1 3.52Å; F152-Y155 HydrophobicContact CE2-CD1 3.52Å; F152-Y155 HydrophobicContact CE2-CE1 4.22Å; F152-Y155 AromaticContact CE2-CG 3.96Å; F152-Y155 HydrophobicContact CE2-CG 3.96Å; F152-Y155 AromaticContact CZ-CD1 3.31Å; F152-Y155 HydrophobicContact CZ-CD1 3.31Å; F152-Y155 AromaticContact CZ-CE1 3.77Å; F152-Y155 HydrophobicContact CZ-CE1 3.77Å; F152-Y155 HydrophobicContact CZ-CG 4.21Å; F152-Y155 WeakPolarHBondContact O-CB 3.49Å; F152-Y155 PolarHBondContact O-N 3.15Å; A153-Y155 VanDerWaalsContact C-N 3.34Å; A153-Y155 PolarHBondContact O-N 3.25Å; Y155-N157 VanDerWaalsContact C-N 3.28Å; Y155-N157 PolarHBondContact O-N 3.5Å; Y155-L158 HydrophobicContact CD2-CD1 4.28Å; Y155-L158 PolarHBondContact O-N 3.38Å; Y155-L166 HydrophobicContact CD2-CD2 3.67Å; Y155-L166 HydrophobicContact CE2-CD2 3.81Å; Y155-L166 HydrophobicContact CE2-CG 4.43Å; Y155-D167 WeakPolarHBondContact CE2-OD1 3.37Å; Y155-D167 PolarHBondContact OH-OD1 2.77Å; Y155-R329 PolarHBondContact OH-NH2 3.08Å
156T93.1Very high92.7Very high16 Ų1633.5 Ų33.510%0.09818%0.183CC..Hα-helixtrans-68.5-28.4-178.759.70000113.1F152 A153 F187 I197F152-T156 HydrophobicContact CD1-CG2 4Å; F152-T156 HydrophobicContact CE1-CG2 3.87Å; F152-T156 PolarHBondContact O-N 3.18Å; A153-T156 WeakPolarHBondContact CA-OG1 3.32Å; A153-T156 PolarHBondContact O-N 2.69Å; A153-T156 PolarHBondContact O-OG1 2.99Å; A153-T156 VanDerWaalsContact O-OG1 3.1Å; T156-F187 HydrophobicContact CG2-CE1 4.41Å; T156-I197 HydrophobicContact CG2-CG2 3.91Å
157N90Very high92.7Very high110 Ų11034.4 Ų34.459%0.58819%0.188SC*.THydrogen-bonded Turntrans-98.78-176.8-59.9-14.3000113A153 I154 Y155A153-N157 WeakPolarHBondContact O-CB 3.23Å; A153-N157 PolarHBondContact O-N 3.09Å; A153-N157 PolarHBondContact O-ND2 3.01Å; I154-N157 PolarHBondContact O-N 2.74Å; Y155-N157 VanDerWaalsContact C-N 3.28Å; Y155-N157 PolarHBondContact O-N 3.5Å
158L90.2Very high92.5Very high9 Ų937.6 Ų37.65%0.04721%0.208CC..SBendtrans-58.2140.9170.6-79.4171.8000109.8L128 I131 I154 Y155 K163 L166L128-L158 HydrophobicContact CB-CD2 4.23Å; L128-L158 HydrophobicContact CD2-CD2 3.81Å; I131-L158 HydrophobicContact CD1-CD1 4.38Å; I131-L158 HydrophobicContact CD1-CD2 4.31Å; I131-L158 HydrophobicContact CG2-CD2 4.41Å; I154-L158 WeakPolarHBondContact O-CG 3.34Å; I154-L158 PolarHBondContact O-N 3.49Å; Y155-L158 HydrophobicContact CD2-CD1 4.28Å; Y155-L158 PolarHBondContact O-N 3.38Å; L158-K163 HydrophobicContact CB-CB 3.89Å; L158-K163 HydrophobicContact CB-CG 4.49Å; L158-L166 HydrophobicContact CD1-CD2 3.6Å
159P90.4Very high92.3Very high57 Ų5738.7 Ų38.737%0.3721%0.214SC..  trans-60.4148.9173.2-10.721.4000110.4L161 Q162 K163P159-L161 VanDerWaalsContact C-N 3.28Å; P159-L161 PolarHBondContact O-N 2.68Å; P159-L161 VanDerWaalsContact O-N 3.1Å; P159-Q162 VanDerWaalsContact CB-OE1 3.31Å; P159-Q162 PolarHBondContact O-N 3.03Å; P159-Q162 VanDerWaalsContact O-N 3.09Å; P159-K163 PolarHBondContact O-N 2.76Å
160P91Very high92.2Very high113 Ų11338.7 Ų38.773%0.73421%0.214SC*.Hα-helixtrans-54.7-38.6-167.3-29.735.3000114.7L164P160-L164 WeakPolarHBondContact O-CB 3.24Å; P160-L164 PolarHBondContact O-N 3.38Å
161L91.1Very high92.2Very high110 Ų11043.5 Ų43.558%0.57624%0.235SC*.Hα-helixtrans-65.8-48.7179.2-178.963.8000112P159 K163 L164 Q165P159-L161 VanDerWaalsContact C-N 3.28Å; P159-L161 PolarHBondContact O-N 2.68Å; P159-L161 VanDerWaalsContact O-N 3.1Å; L161-K163 VanDerWaalsContact C-N 3.33Å; L161-K163 PolarHBondContact O-N 3.34Å; L161-L164 PolarHBondContact O-N 3.4Å; L161-Q165 WeakPolarHBondContact O-CG 3.36Å; L161-Q165 PolarHBondContact O-N 3.4Å
162Q90Very high92.1Very high33 Ų3348 Ų4815%0.15425%0.253CS..Hα-helixtrans-65.7-38.7179.2-73.974.312.600111.2I131 P159 Q165 L166I131-Q162 HydrophobicContact CG2-CB 4.19Å; I131-Q162 HydrophobicContact CG2-CG 4.46Å; P159-Q162 VanDerWaalsContact CB-OE1 3.31Å; P159-Q162 PolarHBondContact O-N 3.03Å; P159-Q162 VanDerWaalsContact O-N 3.09Å; Q162-Q165 PolarHBondContact O-N 2.55Å; Q162-L166 WeakPolarHBondContact O-CB 3.12Å; Q162-L166 PolarHBondContact O-N 3.25Å
163K92.7Very high91.8Very high20 Ų2051.2 Ų51.29%0.08727%0.266CS..Hα-helixtrans-61.2-47.5174-170.2-178.8175.7-169.40111.2L158 P159 L161 Q165 L166 D167 E199L158-K163 HydrophobicContact CB-CB 3.89Å; L158-K163 HydrophobicContact CB-CG 4.49Å; P159-K163 PolarHBondContact O-N 2.76Å; L161-K163 VanDerWaalsContact C-N 3.33Å; L161-K163 PolarHBondContact O-N 3.34Å; K163-Q165 VanDerWaalsContact C-N 3.33Å; K163-Q165 PolarHBondContact O-N 3.14Å; K163-L166 PolarHBondContact O-N 2.9Å; K163-D167 WeakPolarHBondContact O-CB 3.47Å; K163-D167 VanDerWaalsContact O-CG 3.23Å; K163-D167 PolarHBondContact O-N 3.3Å; K163-E199 IonicContact NZ-OE2 2.69Å; K163-E199 PolarHBondContact NZ-OE2 2.61Å
164L93.2Very high91.6Very high102 Ų10254.3 Ų54.353%0.53428%0.282SS..Hα-helixtrans-60-41.1177.4178.363.3000112.5P160 L161 T168P160-L164 WeakPolarHBondContact O-CB 3.24Å; P160-L164 PolarHBondContact O-N 3.38Å; L161-L164 PolarHBondContact O-N 3.4Å; L164-T168 WeakPolarHBondContact O-CB 3.37Å; L164-T168 PolarHBondContact O-N 2.65Å; L164-T168 PolarHBondContact O-OG1 3.24Å
165Q92.1Very high91.8Very high76 Ų7653.7 Ų53.736%0.35528%0.279SS..Hα-helixtrans-63.2-47.8175.7-73.1178-38.300111.5L161 Q162 K163 T168 L169L161-Q165 WeakPolarHBondContact O-CG 3.36Å; L161-Q165 PolarHBondContact O-N 3.4Å; Q162-Q165 PolarHBondContact O-N 2.55Å; K163-Q165 VanDerWaalsContact C-N 3.33Å; K163-Q165 PolarHBondContact O-N 3.14Å; Q165-T168 WeakPolarHBondContact O-CB 3.43Å; Q165-T168 PolarHBondContact O-N 2.83Å; Q165-L169 WeakPolarHBondContact O-CG 3.24Å; Q165-L169 PolarHBondContact O-N 3.15Å
166L93Very high91.9Very high1 Ų153.6 Ų53.61%0.00528%0.279CS..Hα-helixtrans-59.8-46.8176.2176.560.6000111.5I131 L135 I147 F149 Y155 L158 Q162 K163 T168 L169 C170I131-L166 HydrophobicContact CD1-CD2 4.42Å; L135-L166 HydrophobicContact CD1-CD1 3.41Å; L135-L166 VanDerWaalsContact CD1-CD1 3.41Å; I147-L166 HydrophobicContact CD1-CD1 3.89Å; F149-L166 HydrophobicContact CZ-CD2 4.01Å; Y155-L166 HydrophobicContact CD2-CD2 3.67Å; Y155-L166 HydrophobicContact CE2-CD2 3.81Å; Y155-L166 HydrophobicContact CE2-CG 4.43Å; L158-L166 HydrophobicContact CD1-CD2 3.6Å; Q162-L166 WeakPolarHBondContact O-CB 3.12Å; Q162-L166 PolarHBondContact O-N 3.25Å; K163-L166 PolarHBondContact O-N 2.9Å; L166-T168 VanDerWaalsContact C-N 3.28Å; L166-T168 PolarHBondContact O-N 3.01Å; L166-L169 WeakPolarHBondContact O-CB 3.47Å; L166-L169 PolarHBondContact O-N 3.44Å; L166-L169 VanDerWaalsContact O-N 3.15Å; L166-C170 PolarHBondContact O-N 3.01Å; L166-C170 PolarHBondContact O-SG 3Å; L166-C170 VanDerWaalsContact O-SG 3.35Å
167D94.7Very high92.1Very high19 Ų1952.9 Ų52.910%0.10228%0.275CS..Hα-helixtrans-62.7-37.7179.1-71.8-13.5000111.7Y155 K163 C170 K171 I327Y155-D167 WeakPolarHBondContact CE2-OD1 3.37Å; Y155-D167 PolarHBondContact OH-OD1 2.77Å; K163-D167 WeakPolarHBondContact O-CB 3.47Å; K163-D167 VanDerWaalsContact O-CG 3.23Å; K163-D167 PolarHBondContact O-N 3.3Å; D167-C170 PolarHBondContact O-N 2.98Å; D167-K171 WeakPolarHBondContact O-CB 3.34Å; D167-K171 VanDerWaalsContact O-CE 3.24Å; D167-K171 WeakPolarHBondContact O-CE 3.43Å; D167-K171 WeakPolarHBondContact O-CG 3.35Å; D167-K171 PolarHBondContact O-N 2.8Å; D167-I327 HydrophobicContact CB-CD1 3.69Å; D167-I327 VanDerWaalsContact OD1-CD1 3.31Å; D167-I327 WeakPolarHBondContact OD1-CD1 3.47Å
168T93.2Very high92.4Very high69 Ų6947.7 Ų47.742%0.42325%0.247SC..Hα-helixtrans-64.1-43.2174.4-600000111.3L164 Q165 L166 K172L164-T168 WeakPolarHBondContact O-CB 3.37Å; L164-T168 PolarHBondContact O-N 2.65Å; L164-T168 PolarHBondContact O-OG1 3.24Å; Q165-T168 WeakPolarHBondContact O-CB 3.43Å; Q165-T168 PolarHBondContact O-N 2.83Å; L166-T168 VanDerWaalsContact C-N 3.28Å; L166-T168 PolarHBondContact O-N 3.01Å; T168-K172 WeakPolarHBondContact O-CB 3.08Å; T168-K172 PolarHBondContact O-N 2.93Å
169L91.1Very high92.7Very high22 Ų2247.2 Ų47.212%0.11524%0.244CC..Hα-helixtrans-62.6-46.9174.6-70.8173.2000111.5L135 Q165 L166 K171 K172 Y173L135-L169 HydrophobicContact CB-CD1 4.13Å; L135-L169 HydrophobicContact CD1-CD1 4.46Å; Q165-L169 WeakPolarHBondContact O-CG 3.24Å; Q165-L169 PolarHBondContact O-N 3.15Å; L166-L169 WeakPolarHBondContact O-CB 3.47Å; L166-L169 PolarHBondContact O-N 3.44Å; L166-L169 VanDerWaalsContact O-N 3.15Å; L169-K171 PolarHBondContact O-N 2.84Å; L169-K172 PolarHBondContact O-N 3.07Å; L169-Y173 HydrophobicContact CD2-CD2 4.27Å; L169-Y173 HydrophobicContact CD2-CE2 3.81Å; L169-Y173 WeakPolarHBondContact O-CD2 3.08Å; L169-Y173 PolarHBondContact O-N 3.48Å
170C93.4Very high93Very high2 Ų244.6 Ų44.61%0.01423%0.227CC..Hα-helixtrans-59.8-44.5179.1-70.60000111.9L166 D167 N174 I175 I327L166-C170 PolarHBondContact O-N 3.01Å; L166-C170 PolarHBondContact O-SG 3Å; L166-C170 VanDerWaalsContact O-SG 3.35Å; D167-C170 PolarHBondContact O-N 2.98Å; C170-N174 CarbonylContact O-C 3.27Å; C170-N174 WeakPolarHBondContact O-CA 3.36Å; C170-N174 PolarHBondContact O-N 2.85Å; C170-I175 HydrophobicContact CB-CB 4.31Å; C170-I175 PolarHBondContact O-N 2.93Å; C170-I327 HydrophobicContact CB-CD1 3.97Å; C170-I327 HydrophobicContact CB-CG1 4.04Å; C170-I327 HydrophobicContact CB-CG2 4.22Å
171K93.6Very high93.1Very high104 Ų10439.2 Ų39.245%0.45219%0.192SC..Hα-helixtrans-65.5-51175.1-76.6-179-78-163.30112.3D167 L169 Y173 N174 D325 I327D167-K171 WeakPolarHBondContact O-CB 3.34Å; D167-K171 VanDerWaalsContact O-CE 3.24Å; D167-K171 WeakPolarHBondContact O-CE 3.43Å; D167-K171 WeakPolarHBondContact O-CG 3.35Å; D167-K171 PolarHBondContact O-N 2.8Å; L169-K171 PolarHBondContact O-N 2.84Å; K171-Y173 VanDerWaalsContact C-N 3.28Å; K171-Y173 PolarHBondContact O-N 3.32Å; K171-N174 PolarHBondContact O-N 3.27Å; K171-D325 WeakPolarHBondContact CD-O 3.41Å; K171-I327 HydrophobicContact CG-CG1 3.89Å
172K89.6Confident93.1Very high118 Ų11834.4 Ų34.451%0.51317%0.167SC..Hα-helixtrans-57.8-41.7-175.4-178.1179.3-179.8-173.40111.9T168 L169T168-K172 WeakPolarHBondContact O-CB 3.08Å; T168-K172 PolarHBondContact O-N 2.93Å; L169-K172 PolarHBondContact O-N 3.07Å
173Y88.4Confident93.2Very high66 Ų6633 Ų3326%0.25916%0.16SC..Hα-helixtrans-102.92-177.3-59.4-61.1000113.9L169 K171L169-Y173 HydrophobicContact CD2-CD2 4.27Å; L169-Y173 HydrophobicContact CD2-CE2 3.81Å; L169-Y173 WeakPolarHBondContact O-CD2 3.08Å; L169-Y173 PolarHBondContact O-N 3.48Å; K171-Y173 VanDerWaalsContact C-N 3.28Å; K171-Y173 PolarHBondContact O-N 3.32Å
174N89.5Confident93.1Very high70 Ų7032 Ų3237%0.37416%0.156SC..THydrogen-bonded Turntrans50.359.5-175178.294.1000110.5C170 K171 K355C170-N174 CarbonylContact O-C 3.27Å; C170-N174 WeakPolarHBondContact O-CA 3.36Å; C170-N174 PolarHBondContact O-N 2.85Å; K171-N174 PolarHBondContact O-N 3.27Å; N174-K355 WeakPolarHBondContact ND2-CE 3.38Å; N174-K355 PolarHBondContact ND2-NZ 2.86Å; N174-K355 PolarHBondContact OD1-NZ 2.86Å
175I94Very high92.9Very high7 Ų731 Ų314%0.03615%0.148CC..  trans-85.1124.7176.8-55.2178.4000107.8I144 R145 I147 C170I144-I175 HydrophobicContact CB-CD1 4.19Å; I144-I175 HydrophobicContact CG2-CD1 4.09Å; I144-I175 HydrophobicContact CG2-CG2 4.12Å; R145-I175 WeakPolarHBondContact O-CA 3.12Å; I147-I175 HydrophobicContact CB-CG2 4.34Å; I147-I175 HydrophobicContact CD1-CD1 4.41Å; I147-I175 HydrophobicContact CD1-CG2 3.89Å; I147-I175 HydrophobicContact CG1-CG2 3.74Å; C170-I175 HydrophobicContact CB-CB 4.31Å; C170-I175 PolarHBondContact O-N 2.93Å
176G95.2Very high92.7Very high2 Ų228.8 Ų28.82%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-76.7142.7172.600000111.1R145 I146 I147R145-G176 PolarHBondContact O-N 2.98Å; I146-G176 CarbonylContact C-O 3.5Å; I146-G176 VanDerWaalsContact CA-O 3.23Å; I146-G176 WeakPolarHBondContact CA-O 3.45Å; I147-G176 PolarHBondContact N-O 3.49Å
177V97.5Very high92.6Very high1 Ų131 Ų311%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-111.9131.4178.8-178.30000110.8I147 F149 F152 I327 Q328 R329 V330I147-V177 CarbonylContact O-C 3.57Å; I147-V177 WeakPolarHBondContact O-CA 3.24Å; F149-V177 HydrophobicContact CD2-CG1 3.8Å; F149-V177 HydrophobicContact CE2-CG1 3.91Å; F152-V177 HydrophobicContact CE2-CG1 4.05Å; V177-I327 HydrophobicContact CG2-CG2 3.82Å; V177-Q328 PolarHBondContact N-O 3.4Å; V177-R329 HydrophobicContact CB-CB 4.27Å; V177-R329 HydrophobicContact CB-CG 4.06Å; V177-R329 CarbonylContact O-C 3.54Å; V177-R329 WeakPolarHBondContact O-CA 3.34Å; V177-V330 PolarHBondContact O-N 2.9Å
178V97.4Very high92.2Very high0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-109.9128.2168.5-176.20000108.3I146 I147 I148 F149 F180 V330 F332 L346 T349 L353I146-V178 HydrophobicContact CG2-CG2 3.96Å; I147-V178 PolarHBondContact O-N 2.92Å; I148-V178 CarbonylContact C-O 3.54Å; I148-V178 WeakPolarHBondContact CA-O 3.01Å; I148-V178 HydrophobicContact CB-CB 4.4Å; I148-V178 HydrophobicContact CG1-CB 4.05Å; I148-V178 HydrophobicContact CG1-CG2 4.31Å; I148-V178 HydrophobicContact CG2-CB 4.22Å; I148-V178 HydrophobicContact CG2-CG1 4.39Å; F149-V178 PolarHBondContact N-O 2.86Å; V178-F180 HydrophobicContact CG1-CE2 4Å; V178-F180 HydrophobicContact CG1-CZ 4.34Å; V178-V330 WeakPolarHBondContact CA-O 3.4Å; V178-F332 HydrophobicContact CG1-CD2 4.09Å; V178-F332 HydrophobicContact CG1-CE2 3.89Å; V178-L346 HydrophobicContact CG1-CD1 4.11Å; V178-T349 HydrophobicContact CG2-CG2 3.65Å; V178-L353 HydrophobicContact CG2-CD1 3.57Å
179G96.5Very high91.6Very high0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-127128.1-178.700000112.2V330 L331 F332G179-V330 PolarHBondContact N-O 3.21Å; G179-L331 WeakPolarHBondContact O-CA 3.39Å; G179-F332 PolarHBondContact O-N 3.04Å
180F95.2Very high91.2Very high1 Ų138.7 Ų38.70%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-100.7128.1169-65.3-85000110.1L107 I148 F149 E150 N151 F152 V178 L182 F332 P336 L346L107-F180 HydrophobicContact CD1-CD2 4.37Å; L107-F180 HydrophobicContact CD1-CE2 4.2Å; L107-F180 HydrophobicContact CD2-CD2 4.46Å; L107-F180 HydrophobicContact CD2-CE2 3.59Å; L107-F180 HydrophobicContact CD2-CZ 3.86Å; I148-F180 HydrophobicContact CG2-CD2 4.43Å; I148-F180 HydrophobicContact CG2-CE2 4.04Å; F149-F180 PolarHBondContact O-N 2.86Å; F149-F180 VanDerWaalsContact O-N 3.09Å; E150-F180 WeakPolarHBondContact O-CB 3.39Å; N151-F180 WeakPolarHBondContact CA-O 3.19Å; F152-F180 WeakPolarHBondContact CB-O 3.34Å; F152-F180 PolarHBondContact N-O 2.81Å; V178-F180 HydrophobicContact CG1-CE2 4Å; V178-F180 HydrophobicContact CG1-CZ 4.34Å; F180-L182 HydrophobicContact CB-CD2 4.36Å; F180-F332 HydrophobicContact CD1-CB 3.42Å; F180-F332 VanDerWaalsContact CD1-CB 3.42Å; F180-F332 HydrophobicContact CD1-CD2 4.16Å; F180-F332 AromaticContact CD1-CG 3.84Å; F180-F332 HydrophobicContact CD1-CG 3.84Å; F180-F332 HydrophobicContact CE1-CB 3.64Å; F180-F332 AromaticContact CE1-CD1 3.98Å; F180-F332 HydrophobicContact CE1-CD1 3.98Å; F180-F332 AromaticContact CE1-CD2 3.68Å; F180-F332 HydrophobicContact CE1-CD2 3.68Å; F180-F332 HydrophobicContact CE1-CE2 4.33Å; F180-F332 AromaticContact CE1-CG 3.49Å; F180-F332 HydrophobicContact CE1-CG 3.49Å; F180-F332 VanDerWaalsContact CE1-CG 3.49Å; F180-F332 HydrophobicContact CG-CB 4.33Å; F180-F332 HydrophobicContact CZ-CD2 4Å; F180-F332 HydrophobicContact CZ-CE2 4.33Å; F180-F332 HydrophobicContact CZ-CG 4.26Å; F180-P336 HydrophobicContact CD1-CB 3.99Å; F180-P336 VanDerWaalsContact CD1-CD 3.48Å; F180-P336 HydrophobicContact CD1-CG 3.96Å; F180-P336 HydrophobicContact CD2-CG 4.39Å; F180-P336 HydrophobicContact CE1-CB 3.57Å; F180-P336 HydrophobicContact CE1-CG 4.01Å; F180-P336 HydrophobicContact CE2-CB 4.49Å; F180-P336 HydrophobicContact CE2-CG 4.43Å; F180-P336 HydrophobicContact CG-CG 4.16Å; F180-P336 HydrophobicContact CZ-CB 3.85Å; F180-P336 HydrophobicContact CZ-CG 4.24Å; F180-L346 HydrophobicContact CZ-CD1 4.09Å; F180-L346 HydrophobicContact CZ-CD2 4.27Å
181L94.3Very high90.8Very high0 Ų039.8 Ų39.80%021%0.208CC..  trans-93.70.3-176.8-65.4157.2000113F152 D183 G184 F187 I197 I204 L260 L331 F332F152-L181 HydrophobicContact CB-CD2 3.99Å; F152-L181 HydrophobicContact CB-CG 4.47Å; F152-L181 HydrophobicContact CD1-CD2 3.87Å; F152-L181 HydrophobicContact CG-CD2 4.36Å; L181-D183 VanDerWaalsContact C-N 3.3Å; L181-D183 PolarHBondContact O-N 2.8Å; L181-G184 WeakPolarHBondContact O-CA 3.39Å; L181-G184 PolarHBondContact O-N 2.96Å; L181-F187 HydrophobicContact CB-CE2 4.48Å; L181-F187 HydrophobicContact CD2-CD2 4.46Å; L181-F187 HydrophobicContact CD2-CE2 3.35Å; L181-F187 HydrophobicContact CD2-CZ 3.62Å; L181-I197 HydrophobicContact CD1-CD1 3.81Å; L181-I197 HydrophobicContact CD2-CD1 3.99Å; L181-I197 HydrophobicContact CD2-CG1 4.39Å; L181-I197 HydrophobicContact CD2-CG2 4.09Å; L181-I204 HydrophobicContact CB-CD1 3.7Å; L181-I204 HydrophobicContact CD1-CD1 4.15Å; L181-I204 HydrophobicContact CD2-CD1 4.46Å; L181-I204 HydrophobicContact CG-CD1 4.32Å; L181-L260 HydrophobicContact CD1-CD1 4Å; L181-L260 HydrophobicContact CD1-CD2 3.36Å; L181-L260 HydrophobicContact CD1-CG 4.09Å; L181-L331 HydrophobicContact CD1-CB 4.42Å; L181-F332 PolarHBondContact N-O 3.44Å
182L91.4Very high90.3Very high9 Ų935.5 Ų35.55%0.04719%0.193CC..G310 helixtrans48.150173.9-56.8-177.7000112.7L97 T103 E150 N151 F180 G184 E185 R335L97-L182 HydrophobicContact CD1-CD1 4.31Å; T103-L182 HydrophobicContact CG2-CD2 4.46Å; E150-L182 WeakPolarHBondContact O-CD2 3.29Å; N151-L182 HydrophobicContact CB-CD1 3.71Å; N151-L182 HydrophobicContact CB-CG 4.5Å; F180-L182 HydrophobicContact CB-CD2 4.36Å; L182-G184 PolarHBondContact O-N 2.59Å; L182-G184 VanDerWaalsContact O-N 3.07Å; L182-E185 WeakPolarHBondContact O-CB 3.23Å; L182-E185 VanDerWaalsContact O-CG 3.27Å; L182-E185 WeakPolarHBondContact O-CG 3.25Å; L182-E185 PolarHBondContact O-N 2.77Å; L182-E185 VanDerWaalsContact O-N 3.15Å; L182-R335 HydrophobicContact CD2-CB 4.07Å; L182-R335 HydrophobicContact CD2-CG 3.88Å
183D90.9Very high90.2Very high3 Ų331.4 Ų31.42%0.01618%0.178CC..G310 helixtrans62.220.3177.5-51.1-61.5000113.6L181 R206 I238 C256 A258 A333 F334L181-D183 VanDerWaalsContact C-N 3.3Å; L181-D183 PolarHBondContact O-N 2.8Å; D183-R206 PolarHBondContact O-NE 3.05Å; D183-R206 PolarHBondContact O-NH2 3.44Å; D183-I238 WeakPolarHBondContact OD1-CD1 3.14Å; D183-C256 WeakPolarHBondContact CB-O 3.21Å; D183-A258 VanDerWaalsContact C-CB 3.44Å; D183-A333 WeakPolarHBondContact CA-O 3.26Å; D183-A333 PolarHBondContact N-O 3.39Å; D183-F334 WeakPolarHBondContact OD1-CA 3.24Å; D183-F334 WeakPolarHBondContact OD1-CB 3.46Å
184G91.2Very high90.2Very high0 Ų032 Ų320%018%0.18CC..G310 helixtrans82.36.1179.800000115.3L181 L182 G186 F187 T188L181-G184 WeakPolarHBondContact O-CA 3.39Å; L181-G184 PolarHBondContact O-N 2.96Å; L182-G184 PolarHBondContact O-N 2.59Å; L182-G184 VanDerWaalsContact O-N 3.07Å; G184-G186 PolarHBondContact O-N 3.34Å; G184-G186 VanDerWaalsContact O-N 3.12Å; G184-F187 PolarHBondContact O-N 2.87Å; G184-T188 PolarHBondContact O-N 3.47Å; G184-T188 VanDerWaalsContact O-N 3.17Å
185E88.7Confident90.4Very high80 Ų8029.9 Ų29.937%0.37417%0.171SC..THydrogen-bonded Turntrans-55.8-29.7-179-70174.8170.300113.8L182 F187 R206 R335L182-E185 WeakPolarHBondContact O-CB 3.23Å; L182-E185 VanDerWaalsContact O-CG 3.27Å; L182-E185 WeakPolarHBondContact O-CG 3.25Å; L182-E185 PolarHBondContact O-N 2.77Å; L182-E185 VanDerWaalsContact O-N 3.15Å; E185-F187 VanDerWaalsContact C-N 3.31Å; E185-F187 PolarHBondContact O-N 2.88Å; E185-R206 VanDerWaalsContact CA-NH1 3.26Å; E185-R335 IonicContact OE1-NH2 3.79Å; E185-R335 PolarHBondContact OE1-NH2 3.49Å; E185-R335 IonicContact OE2-NH2 2.67Å; E185-R335 PolarHBondContact OE2-NH2 3.18Å
186G87.9Confident90.4Very high31 Ų3134.1 Ų34.132%0.3219%0.189SC..THydrogen-bonded Turntrans-78.5-5.717800000115.7G184G184-G186 PolarHBondContact O-N 3.34Å; G184-G186 VanDerWaalsContact O-N 3.12Å
187F90.4Very high90.4Very high46 Ų4634 Ų3420%0.20219%0.188CC..THydrogen-bonded Turntrans-122.3-41.9-173.8-56.1-84000112.9A153 T156 L181 G184 E185 I197 I204A153-F187 HydrophobicContact CB-CE2 4.42Å; A153-F187 HydrophobicContact CB-CZ 4.13Å; T156-F187 HydrophobicContact CG2-CE1 4.41Å; L181-F187 HydrophobicContact CB-CE2 4.48Å; L181-F187 HydrophobicContact CD2-CD2 4.46Å; L181-F187 HydrophobicContact CD2-CE2 3.35Å; L181-F187 HydrophobicContact CD2-CZ 3.62Å; G184-F187 PolarHBondContact O-N 2.87Å; E185-F187 VanDerWaalsContact C-N 3.31Å; E185-F187 PolarHBondContact O-N 2.88Å; F187-I197 HydrophobicContact CE1-CB 4.43Å; F187-I197 HydrophobicContact CE1-CG2 4.11Å; F187-I197 HydrophobicContact CZ-CG1 4.49Å; F187-I197 HydrophobicContact CZ-CG2 3.94Å; F187-I204 HydrophobicContact CB-CG2 4.05Å; F187-I204 HydrophobicContact CD2-CD1 4.24Å; F187-I204 HydrophobicContact CD2-CG2 4.08Å; F187-I204 HydrophobicContact CG-CG2 4.07Å
188T86.3Confident90.1Very high24 Ų2435.4 Ų35.415%0.14720%0.202CC..  trans-153.3147179.6171.20000109.3G184 E190 T193 S195 R206G184-T188 PolarHBondContact O-N 3.47Å; G184-T188 VanDerWaalsContact O-N 3.17Å; T188-E190 PolarHBondContact OG1-N 3.33Å; T188-T193 WeakPolarHBondContact CG2-OG1 3.37Å; T188-T193 PolarHBondContact OG1-OG1 3.49Å; T188-S195 WeakPolarHBondContact CB-OG 3.43Å; T188-S195 VanDerWaalsContact CG2-OG 3.24Å; T188-S195 WeakPolarHBondContact CG2-OG 3.43Å; T188-R206 HydrophobicContact CG2-CG 3.84Å; T188-R206 WeakPolarHBondContact O-CD 3.39Å; T188-R206 PolarHBondContact O-NH1 2.87Å
189T81.6Confident89.9Confident118 Ų11841 Ų4172%0.72423%0.229SC*.  trans-95.2-17.1177.5510000113.1
190E83.2Confident89.9Confident130 Ų13041.4 Ų41.461%0.60723%0.231SC*.SBendtrans-90.4131.6-170.3-67.7179.6-171.100112.7T188 T193T188-E190 PolarHBondContact OG1-N 3.33Å; E190-T193 HydrophobicContact CB-CG2 3.55Å; E190-T193 PolarHBondContact O-OG1 2.82Å
191G84.4Confident89.8Confident26 Ų2641.6 Ų41.627%0.26823%0.232SC..THydrogen-bonded Turntrans-69.1138.1174.900000112.9
192G83.5Confident89.8Confident14 Ų1441.6 Ų41.614%0.14423%0.232CC..THydrogen-bonded Turntrans8210.9-17700000114.5R206G192-R206 WeakPolarHBondContact CA-O 3.49Å; G192-R206 PolarHBondContact N-O 3.5Å
193T87Confident90Very high32 Ų3244.7 Ų44.720%0.19624%0.244CC..  trans-97.115817863.30000112T188 E190 R206T188-T193 WeakPolarHBondContact CG2-OG1 3.37Å; T188-T193 PolarHBondContact OG1-OG1 3.49Å; E190-T193 HydrophobicContact CB-CG2 3.55Å; E190-T193 PolarHBondContact O-OG1 2.82Å; T193-R206 PolarHBondContact O-N 2.98Å
194W88.9Confident90.1Very high77 Ų7744.5 Ų44.529%0.29224%0.243SC..EExtended strand (participates in β ladder)trans-117.6134.3-179.4-60.579.1000108.3I204 H205 V261 V293 D294W194-I204 WeakPolarHBondContact CA-O 3.5Å; W194-H205 HydrophobicContact CD2-CB 4.04Å; W194-H205 AromaticContact CD2-CD2 3.89Å; W194-H205 AromaticContact CD2-CG 3.99Å; W194-H205 AromaticContact CE2-CD2 3.37Å; W194-H205 AromaticContact CE2-CG 3.64Å; W194-H205 AromaticContact CE2-NE2 3.71Å; W194-H205 HydrophobicContact CE3-CB 3.67Å; W194-H205 HydrophobicContact CH2-CB 3.65Å; W194-H205 AromaticContact CH2-CD2 4Å; W194-H205 AromaticContact CH2-CE1 3.89Å; W194-H205 AromaticContact CH2-CG 3.4Å; W194-H205 VanDerWaalsContact CH2-CG 3.4Å; W194-H205 AromaticContact CH2-ND1 3.34Å; W194-H205 VanDerWaalsContact CH2-ND1 3.34Å; W194-H205 WeakPolarHBondContact CH2-ND1 3.16Å; W194-H205 HydrophobicContact CZ2-CB 3.99Å; W194-H205 AromaticContact CZ2-CD2 3.4Å; W194-H205 WeakPolarHBondContact CZ2-CD2 3.48Å; W194-H205 AromaticContact CZ2-CE1 3.37Å; W194-H205 WeakPolarHBondContact CZ2-CE1 3.21Å; W194-H205 AromaticContact CZ2-CG 3.3Å; W194-H205 AromaticContact CZ2-ND1 3.29Å; W194-H205 VanDerWaalsContact CZ2-ND1 3.29Å; W194-H205 WeakPolarHBondContact CZ2-ND1 3.33Å; W194-H205 AromaticContact CZ2-NE2 3.47Å; W194-H205 WeakPolarHBondContact CZ2-NE2 3.46Å; W194-H205 HydrophobicContact CZ3-CB 3.48Å; W194-H205 VanDerWaalsContact CZ3-CB 3.48Å; W194-H205 AromaticContact CZ3-CG 3.79Å; W194-H205 AromaticContact NE1-CD2 3.68Å; W194-H205 AromaticContact NE1-NE2 3.85Å; W194-V261 HydrophobicContact CH2-CG2 4.13Å; W194-V261 HydrophobicContact CZ3-CB 3.98Å; W194-V261 HydrophobicContact CZ3-CG1 4.42Å; W194-V261 HydrophobicContact CZ3-CG2 3.7Å; W194-V293 HydrophobicContact CE3-CG1 3.83Å; W194-V293 HydrophobicContact CH2-CG1 4.21Å; W194-V293 HydrophobicContact CZ3-CG1 3.58Å; W194-D294 VanDerWaalsContact CH2-CA 3.5Å; W194-D294 HydrophobicContact CH2-CB 4.16Å; W194-D294 HydrophobicContact CZ2-CB 3.38Å
195S92.8Very high90.2Very high26 Ų2645.5 Ų45.518%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-138.3146.5176.5-56.80000110.4T188 Y203 I204T188-S195 WeakPolarHBondContact CB-OG 3.43Å; T188-S195 VanDerWaalsContact CG2-OG 3.24Å; T188-S195 WeakPolarHBondContact CG2-OG 3.43Å; S195-Y203 CarbonylContact O-C 3.54Å; S195-Y203 WeakPolarHBondContact O-CA 3.46Å; S195-I204 PolarHBondContact N-O 2.92Å; S195-I204 WeakPolarHBondContact O-CG2 3.46Å; S195-I204 PolarHBondContact O-N 2.86Å
196K93.9Very high90.3Very high96 Ų9642.3 Ų42.342%0.41723%0.232SC..EExtended strand (participates in β ladder)trans-76.8139.4173.6-171.8-178177.2-166.70109.6G198 E199 L200 F263K196-G198 WeakPolarHBondContact CD-O 3.49Å; K196-G198 WeakPolarHBondContact CE-O 3Å; K196-G198 WeakPolarHBondContact CG-O 3.13Å; K196-G198 PolarHBondContact O-N 3.47Å; K196-G198 VanDerWaalsContact O-N 3.14Å; K196-E199 VanDerWaalsContact CE-O 3.3Å; K196-E199 WeakPolarHBondContact CE-O 3.47Å; K196-E199 PolarHBondContact NZ-O 2.88Å; K196-E199 VanDerWaalsContact NZ-O 3.08Å; K196-L200 WeakPolarHBondContact CE-O 3.12Å; K196-F263 HydrophobicContact CD-CZ 3.97Å; K196-F263 HydrophobicContact CG-CZ 3.95Å
197I94.9Very high90.4Very high0 Ų041.1 Ų41.10%022%0.218CC..  trans-85.684.3175.6-58.9173.2000109.1F152 T156 L181 F187 E199 L200 L202 I204 L260F152-I197 HydrophobicContact CD1-CG2 3.97Å; F152-I197 HydrophobicContact CE1-CG2 3.89Å; T156-I197 HydrophobicContact CG2-CG2 3.91Å; L181-I197 HydrophobicContact CD1-CD1 3.81Å; L181-I197 HydrophobicContact CD2-CD1 3.99Å; L181-I197 HydrophobicContact CD2-CG1 4.39Å; L181-I197 HydrophobicContact CD2-CG2 4.09Å; F187-I197 HydrophobicContact CE1-CB 4.43Å; F187-I197 HydrophobicContact CE1-CG2 4.11Å; F187-I197 HydrophobicContact CZ-CG1 4.49Å; F187-I197 HydrophobicContact CZ-CG2 3.94Å; I197-E199 PolarHBondContact O-N 3.36Å; I197-L200 HydrophobicContact CG2-CD1 4.28Å; I197-L200 WeakPolarHBondContact O-CB 3.43Å; I197-L200 PolarHBondContact O-N 2.93Å; I197-L200 VanDerWaalsContact O-N 3.11Å; I197-L202 HydrophobicContact CD1-CB 4.42Å; I197-L202 HydrophobicContact CD1-CD2 3.78Å; I197-L202 HydrophobicContact CD1-CG 3.88Å; I197-L202 PolarHBondContact N-O 3.45Å; I197-I204 HydrophobicContact CD1-CB 4Å; I197-I204 HydrophobicContact CG1-CB 3.96Å; I197-I204 HydrophobicContact CG1-CG2 4.08Å; I197-L260 HydrophobicContact CD1-CD2 3.39Å
198G92.5Very high90.1Very high30 Ų3047.7 Ų47.731%0.30924%0.242SC..THydrogen-bonded Turntrans55.9-122-177.300000111.9K196K196-G198 WeakPolarHBondContact CD-O 3.49Å; K196-G198 WeakPolarHBondContact CE-O 3Å; K196-G198 WeakPolarHBondContact CG-O 3.13Å; K196-G198 PolarHBondContact O-N 3.47Å; K196-G198 VanDerWaalsContact O-N 3.14Å
199E92.9Very high90.1Very high118 Ų11854.3 Ų54.355%0.55127%0.268SS*.THydrogen-bonded Turntrans-91.1-16.9-179.9-70.3169.716800113.6K163 K196 I197K163-E199 IonicContact NZ-OE2 2.69Å; K163-E199 PolarHBondContact NZ-OE2 2.61Å; K196-E199 VanDerWaalsContact CE-O 3.3Å; K196-E199 WeakPolarHBondContact CE-O 3.47Å; K196-E199 PolarHBondContact NZ-O 2.88Å; K196-E199 VanDerWaalsContact NZ-O 3.08Å; I197-E199 PolarHBondContact O-N 3.36Å
200L95.5Very high90.2Very high8 Ų850.6 Ų50.64%0.04225%0.247CC..SBendtrans-61.6142-175.7-61.1176.6000110.5F152 K196 I197 L202 F324 L331F152-L200 HydrophobicContact CE1-CD1 3.93Å; F152-L200 HydrophobicContact CZ-CD1 4.19Å; K196-L200 WeakPolarHBondContact CE-O 3.12Å; I197-L200 HydrophobicContact CG2-CD1 4.28Å; I197-L200 WeakPolarHBondContact O-CB 3.43Å; I197-L200 PolarHBondContact O-N 2.93Å; I197-L200 VanDerWaalsContact O-N 3.11Å; L200-L202 HydrophobicContact CB-CB 4.27Å; L200-L202 PolarHBondContact O-N 3.1Å; L200-F324 HydrophobicContact CD2-CD1 4.22Å; L200-L331 HydrophobicContact CD1-CD1 4.38Å
201P94.3Very high90.4Very high6 Ų644.6 Ų44.64%0.03922%0.219CC..SBendtrans-75.658175.730.5-34.4000111.4F263 N266 F269 Y270 F324P201-F263 HydrophobicContact CB-CB 4.22Å; P201-F263 HydrophobicContact CB-CD2 3.59Å; P201-F263 HydrophobicContact CB-CE2 4.1Å; P201-F263 HydrophobicContact CB-CG 3.92Å; P201-F263 WeakPolarHBondContact O-CD1 3.44Å; P201-F263 WeakPolarHBondContact O-CG 3.41Å; P201-F263 PolarHBondContact O-N 3.16Å; P201-N266 HydrophobicContact CB-CB 3.77Å; P201-N266 HydrophobicContact CG-CB 3.89Å; P201-F269 HydrophobicContact CG-CD2 3.85Å; P201-F269 HydrophobicContact CG-CE2 4.28Å; P201-Y270 VanDerWaalsContact CD-OH 3.24Å; P201-Y270 WeakPolarHBondContact CD-OH 3.27Å; P201-Y270 HydrophobicContact CG-CE2 4.23Å; P201-Y270 WeakPolarHBondContact CG-OH 3.32Å; P201-Y270 WeakPolarHBondContact O-CE2 3.21Å; P201-F324 HydrophobicContact CG-CD2 4.11Å; P201-F324 HydrophobicContact CG-CG 4.32Å
202L94.5Very high90.5Very high0 Ų048 Ų480%023%0.227CC..EExtended strand (participates in β ladder)trans-143.8130.3-171.6-171.461.5000110.3I197 L200 L260 P262 Y270 L318 L331I197-L202 HydrophobicContact CD1-CB 4.42Å; I197-L202 HydrophobicContact CD1-CD2 3.78Å; I197-L202 HydrophobicContact CD1-CG 3.88Å; I197-L202 PolarHBondContact N-O 3.45Å; L200-L202 HydrophobicContact CB-CB 4.27Å; L200-L202 PolarHBondContact O-N 3.1Å; L202-L260 HydrophobicContact CD1-CB 4.33Å; L202-L260 HydrophobicContact CD2-CD2 3.96Å; L202-L260 HydrophobicContact CG-CD2 4.23Å; L202-P262 HydrophobicContact CD1-CB 4.36Å; L202-P262 HydrophobicContact CD1-CG 3.98Å; L202-Y270 HydrophobicContact CB-CE1 4.45Å; L202-Y270 HydrophobicContact CD1-CE1 4.45Å; L202-Y270 HydrophobicContact CD1-CE2 4.48Å; L202-Y270 HydrophobicContact CD2-CE1 4.07Å; L202-L318 HydrophobicContact CD1-CD2 3.49Å; L202-L318 VanDerWaalsContact CD1-CD2 3.49Å; L202-L318 HydrophobicContact CD2-CD2 3.84Å; L202-L318 HydrophobicContact CG-CD2 4.35Å; L202-L331 HydrophobicContact CD2-CD1 3.65Å
203Y94.1Very high90.6Very high73 Ų7347.3 Ų47.329%0.28622%0.221SC..EExtended strand (participates in β ladder)trans-94.5141.9170.2-64.5-67000110.9S195 L260 V261 F263 V293S195-Y203 CarbonylContact O-C 3.54Å; S195-Y203 WeakPolarHBondContact O-CA 3.46Å; Y203-L260 WeakPolarHBondContact O-CA 3.24Å; Y203-V261 PolarHBondContact N-O 2.77Å; Y203-V261 PolarHBondContact O-N 3.1Å; Y203-F263 AromaticContact CD1-CE1 3.73Å; Y203-F263 HydrophobicContact CD1-CE1 3.73Å; Y203-F263 HydrophobicContact CD1-CZ 4.48Å; Y203-F263 AromaticContact CD2-CD1 3.44Å; Y203-F263 HydrophobicContact CD2-CD1 3.44Å; Y203-F263 VanDerWaalsContact CD2-CD1 3.44Å; Y203-F263 AromaticContact CD2-CE1 3.42Å; Y203-F263 HydrophobicContact CD2-CE1 3.42Å; Y203-F263 VanDerWaalsContact CD2-CE1 3.42Å; Y203-F263 HydrophobicContact CE1-CD1 4.37Å; Y203-F263 AromaticContact CE1-CE1 3.49Å; Y203-F263 HydrophobicContact CE1-CE1 3.49Å; Y203-F263 VanDerWaalsContact CE1-CE1 3.49Å; Y203-F263 AromaticContact CE1-CZ 3.93Å; Y203-F263 HydrophobicContact CE1-CZ 3.93Å; Y203-F263 AromaticContact CE2-CD1 3.18Å; Y203-F263 HydrophobicContact CE2-CD1 3.18Å; Y203-F263 AromaticContact CE2-CE1 3.17Å; Y203-F263 HydrophobicContact CE2-CE1 3.17Å; Y203-F263 HydrophobicContact CE2-CG 4.18Å; Y203-F263 HydrophobicContact CE2-CZ 4.11Å; Y203-F263 HydrophobicContact CG-CD1 4.14Å; Y203-F263 AromaticContact CG-CE1 3.69Å; Y203-F263 HydrophobicContact CG-CE1 3.69Å; Y203-F263 AromaticContact CZ-CD1 3.7Å; Y203-F263 AromaticContact CZ-CE1 3.19Å; Y203-F263 AromaticContact CZ-CZ 3.72Å; Y203-V293 HydrophobicContact CD2-CG1 3.93Å; Y203-V293 HydrophobicContact CE2-CG1 4.31Å; Y203-V293 HydrophobicContact CE2-CG2 4.45Å
204I94.4Very high90.5Very high0 Ų045.9 Ų45.90%021%0.212CC..EExtended strand (participates in β ladder)trans-97129.6158.1-172.8153.5000109.1L181 F187 W194 S195 I197 A258 T259L181-I204 HydrophobicContact CB-CD1 3.7Å; L181-I204 HydrophobicContact CD1-CD1 4.15Å; L181-I204 HydrophobicContact CD2-CD1 4.46Å; L181-I204 HydrophobicContact CG-CD1 4.32Å; F187-I204 HydrophobicContact CB-CG2 4.05Å; F187-I204 HydrophobicContact CD2-CD1 4.24Å; F187-I204 HydrophobicContact CD2-CG2 4.08Å; F187-I204 HydrophobicContact CG-CG2 4.07Å; W194-I204 WeakPolarHBondContact CA-O 3.5Å; S195-I204 PolarHBondContact N-O 2.92Å; S195-I204 WeakPolarHBondContact O-CG2 3.46Å; S195-I204 PolarHBondContact O-N 2.86Å; I197-I204 HydrophobicContact CD1-CB 4Å; I197-I204 HydrophobicContact CG1-CB 3.96Å; I197-I204 HydrophobicContact CG1-CG2 4.08Å; I204-A258 HydrophobicContact CD1-CB 3.8Å; I204-A258 HydrophobicContact CG1-CB 3.74Å; I204-T259 WeakPolarHBondContact CA-O 3.38Å
205H92.3Very high90.3Very high21 Ų2143.1 Ų43.110%0.09720%0.201CC..EExtended strand (participates in β ladder)trans-111.9112.2175.8176.6-152.4000109.1W194 L207 A258 T259 Q314W194-H205 HydrophobicContact CD2-CB 4.04Å; W194-H205 AromaticContact CD2-CD2 3.89Å; W194-H205 AromaticContact CD2-CG 3.99Å; W194-H205 AromaticContact CE2-CD2 3.37Å; W194-H205 AromaticContact CE2-CG 3.64Å; W194-H205 AromaticContact CE2-NE2 3.71Å; W194-H205 HydrophobicContact CE3-CB 3.67Å; W194-H205 HydrophobicContact CH2-CB 3.65Å; W194-H205 AromaticContact CH2-CD2 4Å; W194-H205 AromaticContact CH2-CE1 3.89Å; W194-H205 AromaticContact CH2-CG 3.4Å; W194-H205 VanDerWaalsContact CH2-CG 3.4Å; W194-H205 AromaticContact CH2-ND1 3.34Å; W194-H205 VanDerWaalsContact CH2-ND1 3.34Å; W194-H205 WeakPolarHBondContact CH2-ND1 3.16Å; W194-H205 HydrophobicContact CZ2-CB 3.99Å; W194-H205 AromaticContact CZ2-CD2 3.4Å; W194-H205 WeakPolarHBondContact CZ2-CD2 3.48Å; W194-H205 AromaticContact CZ2-CE1 3.37Å; W194-H205 WeakPolarHBondContact CZ2-CE1 3.21Å; W194-H205 AromaticContact CZ2-CG 3.3Å; W194-H205 AromaticContact CZ2-ND1 3.29Å; W194-H205 VanDerWaalsContact CZ2-ND1 3.29Å; W194-H205 WeakPolarHBondContact CZ2-ND1 3.33Å; W194-H205 AromaticContact CZ2-NE2 3.47Å; W194-H205 WeakPolarHBondContact CZ2-NE2 3.46Å; W194-H205 HydrophobicContact CZ3-CB 3.48Å; W194-H205 VanDerWaalsContact CZ3-CB 3.48Å; W194-H205 AromaticContact CZ3-CG 3.79Å; W194-H205 AromaticContact NE1-CD2 3.68Å; W194-H205 AromaticContact NE1-NE2 3.85Å; H205-L207 WeakPolarHBondContact CE1-CD2 2.87Å; H205-L207 WeakPolarHBondContact ND1-CD2 3.49Å; H205-A258 CarbonylContact O-C 3.46Å; H205-A258 VanDerWaalsContact O-CA 3.23Å; H205-A258 WeakPolarHBondContact O-CA 3.47Å; H205-T259 PolarHBondContact N-O 3.19Å; H205-T259 PolarHBondContact O-N 2.86Å; H205-Q314 PolarHBondContact ND1-OE1 2.87Å
206R91.2Very high89.9Confident13 Ų1342 Ų425%0.04919%0.194CC..EExtended strand (participates in β ladder)trans-80.6123.4171.9-69.1-161.673148.19.9108.9D183 E185 T188 G192 T193 C256D183-R206 PolarHBondContact O-NE 3.05Å; D183-R206 PolarHBondContact O-NH2 3.44Å; E185-R206 VanDerWaalsContact CA-NH1 3.26Å; T188-R206 HydrophobicContact CG2-CG 3.84Å; T188-R206 WeakPolarHBondContact O-CD 3.39Å; T188-R206 PolarHBondContact O-NH1 2.87Å; G192-R206 WeakPolarHBondContact CA-O 3.49Å; G192-R206 PolarHBondContact N-O 3.5Å; T193-R206 PolarHBondContact O-N 2.98Å; R206-C256 HydrophobicContact CB-CB 4.48Å
207L89.3Confident89.3Confident6 Ų637.5 Ų37.53%0.03117%0.174CC..  trans-80.2148.5-176.3-56.1179.3000111.2H205 K209 P211 C255 C256 M257 T259 T278H205-L207 WeakPolarHBondContact CE1-CD2 2.87Å; H205-L207 WeakPolarHBondContact ND1-CD2 3.49Å; L207-K209 VanDerWaalsContact C-N 3.35Å; L207-K209 WeakPolarHBondContact CB-O 3.43Å; L207-P211 HydrophobicContact CD1-CB 3.56Å; L207-P211 HydrophobicContact CD1-CG 3.65Å; L207-C255 PolarHBondContact O-SG 2.89Å; L207-C256 WeakPolarHBondContact O-CA 3.25Å; L207-C256 WeakPolarHBondContact O-CB 3.39Å; L207-C256 PolarHBondContact O-SG 3.38Å; L207-M257 WeakPolarHBondContact CB-O 3.09Å; L207-M257 WeakPolarHBondContact CG-O 3.12Å; L207-M257 PolarHBondContact N-O 3.29Å; L207-T259 HydrophobicContact CD1-CG2 4Å; L207-T259 HydrophobicContact CD2-CG2 4.41Å; L207-T259 HydrophobicContact CG-CG2 4.41Å; L207-T278 HydrophobicContact CD1-CG2 4.01Å; L207-T278 HydrophobicContact CD2-CG2 3.83Å
208R85.9Confident88.1Confident183 Ų18340.5 Ų40.569%0.69119%0.19SC*.SBendtrans-80-21.5171.1-66.1-173.9-175.2137.93.3113.1C255R208-C255 PolarHBondContact O-SG 2.69Å
209K85Confident86.9Confident163 Ų16342 Ų4271%0.70919%0.19SC*.SBendtrans-134.6149.9-174.4-64.4-176.8-179.5-179.70109L207L207-K209 VanDerWaalsContact C-N 3.35Å; L207-K209 WeakPolarHBondContact CB-O 3.43Å
210P84.3Confident85.9Confident41 Ų4136.8 Ų36.827%0.26617%0.168SC..PPolyproline II helixtrans-52.1129.5168.6-27.536.3000110.7T235 T253P210-T235 HydrophobicContact CB-CG2 3.57Å; P210-T253 HydrophobicContact CG-CG2 4.24Å
211P87.9Confident84.7Confident3 Ų339 Ų392%0.01918%0.184CC..PPolyproline II helixtrans-75.5162.3178.333.5-34.6000110.9L207 L236 M257 T276 K277L207-P211 HydrophobicContact CD1-CB 3.56Å; L207-P211 HydrophobicContact CD1-CG 3.65Å; P211-L236 HydrophobicContact CG-CB 4.27Å; P211-L236 HydrophobicContact CG-CD1 4.31Å; P211-L236 PolarHBondContact O-N 3.36Å; P211-M257 HydrophobicContact CG-CB 4.3Å; P211-M257 HydrophobicContact CG-CG 4.43Å; P211-M257 HydrophobicContact CG-SD 3.72Å; P211-T276 HydrophobicContact CB-CG2 3.54Å; P211-T276 WeakPolarHBondContact CB-OG1 3.41Å; P211-T276 HydrophobicContact CG-CG2 3.92Å; P211-K277 WeakPolarHBondContact CB-O 3.24Å
212Q85.9Confident83.3Confident97 Ų9738.8 Ų38.845%0.45318%0.182SC..EExtended strand (participates in β ladder)trans-102.5118-176.5-68.8175.86.600110.7Y215 T276 K277Q212-Y215 WeakPolarHBondContact O-CE2 3.34Å; Q212-T276 PolarHBondContact O-OG1 2.89Å; Q212-K277 HydrophobicContact CB-CB 4.22Å; Q212-K277 PolarHBondContact N-O 2.85Å; Q212-K277 WeakPolarHBondContact O-CB 3.33Å; Q212-K277 PolarHBondContact O-N 2.94Å; Q212-K277 VanDerWaalsContact O-N 3.08Å
213G84.5Confident81.9Confident0 Ų039.5 Ų39.50%019%0.186CC..EExtended strand (participates in β ladder)trans78.1153.417100000115.6N232 N234 L236 T276G213-N232 CarbonylContact C-O 3.51Å; G213-N232 VanDerWaalsContact C-O 3.27Å; G213-N232 WeakPolarHBondContact CA-O 3.45Å; G213-N234 WeakPolarHBondContact CA-O 3.33Å; G213-N234 PolarHBondContact N-O 2.94Å; G213-L236 WeakPolarHBondContact O-CD1 3.39Å; G213-T276 WeakPolarHBondContact O-CB 3.2Å; G213-T276 PolarHBondContact O-OG1 2.97Å
214F86.1Confident80.4Confident2 Ų244.3 Ų44.31%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-113.7115.2172.3-166.2-79.3000108.5T216 M231 N232 L236 A274 L316 F334 I339 L341 L345F214-T216 HydrophobicContact CD1-CG2 4.39Å; F214-T216 HydrophobicContact CE1-CG2 4.01Å; F214-M231 WeakPolarHBondContact O-CA 3.48Å; F214-N232 PolarHBondContact N-O 2.92Å; F214-N232 PolarHBondContact O-N 3.32Å; F214-L236 HydrophobicContact CB-CD1 4.2Å; F214-L236 HydrophobicContact CB-CD2 3.9Å; F214-L236 HydrophobicContact CD2-CD1 4.11Å; F214-A274 HydrophobicContact CE1-CB 3.61Å; F214-A274 HydrophobicContact CE2-CB 4.3Å; F214-A274 HydrophobicContact CZ-CB 3.45Å; F214-A274 VanDerWaalsContact CZ-CB 3.45Å; F214-L316 HydrophobicContact CD2-CD1 3.43Å; F214-L316 VanDerWaalsContact CD2-CD1 3.43Å; F214-L316 HydrophobicContact CE2-CD1 3.59Å; F214-L316 HydrophobicContact CG-CD1 4.31Å; F214-F334 HydrophobicContact CE2-CE1 4.44Å; F214-F334 HydrophobicContact CE2-CZ 4.3Å; F214-I339 HydrophobicContact CD2-CD1 3.99Å; F214-I339 HydrophobicContact CD2-CG2 4.4Å; F214-I339 HydrophobicContact CE2-CD1 4.29Å; F214-L341 HydrophobicContact CD1-CD2 3.85Å; F214-L341 HydrophobicContact CE1-CB 4.23Å; F214-L341 HydrophobicContact CE1-CD2 3.98Å; F214-L341 HydrophobicContact CZ-CB 4.41Å; F214-L345 HydrophobicContact CE1-CD1 4.02Å; F214-L345 HydrophobicContact CZ-CD1 3.52Å
215Y84.4Confident78.7Confident19 Ų1947.3 Ų47.38%0.07523%0.229CC..EExtended strand (participates in β ladder)trans-114.9138.8-178.6-50-97.7000109.1Q212 M231 A274 F275 K277 Y313Q212-Y215 WeakPolarHBondContact O-CE2 3.34Å; Y215-M231 HydrophobicContact CD1-CB 3.98Å; Y215-M231 HydrophobicContact CD1-CE 3.67Å; Y215-M231 HydrophobicContact CD1-CG 3.5Å; Y215-M231 VanDerWaalsContact CD1-CG 3.5Å; Y215-M231 HydrophobicContact CD1-SD 4.04Å; Y215-M231 HydrophobicContact CE1-CB 4.35Å; Y215-M231 HydrophobicContact CE1-CE 3.5Å; Y215-M231 HydrophobicContact CE1-CG 3.38Å; Y215-M231 HydrophobicContact CE1-SD 3.51Å; Y215-M231 VanDerWaalsContact CE1-SD 3.51Å; Y215-A274 CarbonylContact O-C 3.55Å; Y215-A274 WeakPolarHBondContact O-CA 3.32Å; Y215-A274 WeakPolarHBondContact O-CB 3.19Å; Y215-F275 HydrophobicContact CD1-CE2 4.41Å; Y215-F275 HydrophobicContact CD2-CD2 4.07Å; Y215-F275 HydrophobicContact CD2-CE2 4.08Å; Y215-F275 WeakPolarHBondContact CD2-O 3.31Å; Y215-F275 HydrophobicContact CG-CD2 4.12Å; Y215-F275 AromaticContact CG-CE2 3.72Å; Y215-F275 HydrophobicContact CG-CE2 3.72Å; Y215-F275 HydrophobicContact CG-CZ 4.17Å; Y215-F275 PolarHBondContact N-O 3.32Å; Y215-F275 PolarHBondContact O-N 3.06Å; Y215-K277 HydrophobicContact CE2-CB 4.46Å; Y215-Y313 HydrophobicContact CD2-CD1 4.38Å; Y215-Y313 HydrophobicContact CD2-CE1 4.23Å; Y215-Y313 HydrophobicContact CE1-CE1 4.48Å; Y215-Y313 HydrophobicContact CE2-CD1 4.3Å; Y215-Y313 AromaticContact CE2-CE1 3.82Å; Y215-Y313 HydrophobicContact CE2-CE1 3.82Å; Y215-Y313 AromaticContact CZ-CE1 3.99Å
216T83.5Confident77.3Confident4 Ų446.9 Ų46.93%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-103.9135.4173.953.90000109.6F214 L223 R227 G229 R230F214-T216 HydrophobicContact CD1-CG2 4.39Å; F214-T216 HydrophobicContact CE1-CG2 4.01Å; T216-L223 HydrophobicContact CG2-CD1 4.3Å; T216-R227 PolarHBondContact OG1-O 3.16Å; T216-G229 WeakPolarHBondContact O-CA 3.34Å; T216-G229 PolarHBondContact O-N 3.18Å; T216-G229 PolarHBondContact OG1-N 3.02Å; T216-G229 VanDerWaalsContact OG1-N 3.15Å; T216-R230 PolarHBondContact N-O 3.39Å; T216-R230 WeakPolarHBondContact OG1-CA 3.27Å; T216-R230 WeakPolarHBondContact OG1-CB 3.5Å; T216-R230 PolarHBondContact OG1-N 3.41Å; T216-R230 PolarHBondContact OG1-O 3.39Å
217S81.3Confident76.1Confident0 Ų050.8 Ų50.80%024%0.242CC..  trans-66.1142.5-179.5-179.40000111.1N219 S228 T272 I273S217-N219 VanDerWaalsContact C-N 3.27Å; S217-N219 PolarHBondContact O-N 3.29Å; S217-S228 VanDerWaalsContact O-CB 3.24Å; S217-S228 WeakPolarHBondContact O-CB 3.45Å; S217-T272 WeakPolarHBondContact CB-O 3.12Å; S217-T272 PolarHBondContact OG-O 3.44Å; S217-I273 PolarHBondContact N-O 2.9Å
218L69.8Low74.9Confident63 Ų6352.9 Ų52.933%0.3326%0.257SS..THydrogen-bonded Turntrans-64.1-32.2180-74.3168.9000112.7S228L218-S228 WeakPolarHBondContact O-CB 3.19Å; L218-S228 PolarHBondContact O-OG 2.74Å
219N68Low73.8Confident61 Ų6145.6 Ų45.633%0.32624%0.239SC..THydrogen-bonded Turntrans-113.315.9-169.7-77-10.7000113.6Q59 S62 I65 S217 S221Q59-N219 PolarHBondContact NE2-ND2 3.42Å; S62-N219 WeakPolarHBondContact OG-CB 3.42Å; S62-N219 PolarHBondContact OG-ND2 3.35Å; I65-N219 HydrophobicContact CD1-CB 3.96Å; S217-N219 VanDerWaalsContact C-N 3.27Å; S217-N219 PolarHBondContact O-N 3.29Å; N219-S221 PolarHBondContact O-N 2.71Å
220A72.8Confident72.9Confident10 Ų1043.3 Ų43.38%0.08323%0.226CC..  trans-66.6130.2179.100000111.4I222 L223 I273A220-I222 VanDerWaalsContact C-N 3.28Å; A220-I222 PolarHBondContact O-N 2.77Å; A220-L223 HydrophobicContact CB-CD1 3.58Å; A220-L223 HydrophobicContact CB-CG 3.61Å; A220-I273 HydrophobicContact CB-CG2 4.43Å
221S69.7Low72.1Confident54 Ų5445 Ų4538%0.37823%0.232SC..SBendtrans-66.8-26.8-177.852.20000113.7N219 E319 Y352N219-S221 PolarHBondContact O-N 2.71Å; S221-E319 PolarHBondContact OG-OE2 3.18Å; S221-Y352 PolarHBondContact OG-OH 3.03Å
222I64Low71.4Confident1 Ų147.6 Ų47.61%0.00525%0.245CC..SBendtrans-86.7-34.4-171.3-69.9151.2000112.5A220 R224 I273 E319 V330 D348 Y352A220-I222 VanDerWaalsContact C-N 3.28Å; A220-I222 PolarHBondContact O-N 2.77Å; I222-R224 PolarHBondContact O-N 3.37Å; I222-I273 HydrophobicContact CD1-CD1 3.29Å; I222-I273 HydrophobicContact CD1-CG1 3.8Å; I222-E319 HydrophobicContact CD1-CB 4.2Å; I222-E319 HydrophobicContact CD1-CG 4.46Å; I222-V330 HydrophobicContact CD1-CG2 3.61Å; I222-D348 HydrophobicContact CG2-CB 3.73Å; I222-D348 WeakPolarHBondContact O-CB 3.49Å; I222-Y352 HydrophobicContact CB-CG 4.32Å; I222-Y352 HydrophobicContact CD1-CD1 3.86Å; I222-Y352 HydrophobicContact CD1-CE1 3.95Å; I222-Y352 HydrophobicContact CD1-CG 4.49Å; I222-Y352 HydrophobicContact CG1-CD1 3.24Å; I222-Y352 HydrophobicContact CG1-CD2 3.96Å; I222-Y352 HydrophobicContact CG1-CE1 3.58Å; I222-Y352 HydrophobicContact CG1-CE2 4.29Å; I222-Y352 HydrophobicContact CG1-CG 3.41Å; I222-Y352 VanDerWaalsContact CG1-CG 3.41Å
223L65Low70.6Confident16 Ų1646.7 Ų46.78%0.08425%0.25CC..  trans-70.697.2-166.4-54.2178.7000111.5T216 A220 T226 I273 L345T216-L223 HydrophobicContact CG2-CD1 4.3Å; A220-L223 HydrophobicContact CB-CD1 3.58Å; A220-L223 HydrophobicContact CB-CG 3.61Å; L223-T226 WeakPolarHBondContact CD2-OG1 3.41Å; L223-I273 HydrophobicContact CD2-CG2 3.58Å; L223-I273 HydrophobicContact CG-CG2 4.23Å; L223-L345 HydrophobicContact CD2-CD2 3.15Å
224R64Low70.2Confident173 Ų17351.7 Ų51.765%0.65328%0.276SS*.SBendtrans-103.7-53.6173.2-65.5-177.5180-1730.9110.4I222 D348I222-R224 PolarHBondContact O-N 3.37Å; R224-D348 PolarHBondContact N-OD2 3Å; R224-D348 VanDerWaalsContact N-OD2 3.14Å
225A57.9Low69.5Low63 Ų6355.1 Ų55.152%0.52130%0.297SS..SBendtrans-83.6-40.5-179.900000112.1R227 I344 D348A225-R227 PolarHBondContact O-N 3.37Å; A225-I344 HydrophobicContact CB-CG2 3.54Å; A225-D348 WeakPolarHBondContact CB-OD1 3.21Å; A225-D348 PolarHBondContact N-OD1 2.87Å; A225-D348 PolarHBondContact N-OD2 3.4Å
226T62.9Low68.8Low12 Ų1254.8 Ų54.87%0.07430%0.297CS..SBendtrans-67.4-16.8-178.136.50000114.6L223 R230 I344 L345 D348L223-T226 WeakPolarHBondContact CD2-OG1 3.41Å; T226-R230 WeakPolarHBondContact O-CG 3.41Å; T226-I344 HydrophobicContact CG2-CB 3.67Å; T226-I344 HydrophobicContact CG2-CG2 3.41Å; T226-I344 VanDerWaalsContact CG2-CG2 3.41Å; T226-L345 HydrophobicContact CG2-CD2 3.58Å; T226-L345 HydrophobicContact CG2-CG 3.76Å; T226-D348 PolarHBondContact N-OD2 2.68Å; T226-D348 VanDerWaalsContact N-OD2 3.17Å; T226-D348 PolarHBondContact OG1-OD2 3.04Å
227R65.4Low68Low96 Ų9661 Ų6136%0.36233%0.326SS..  trans53.3126.3-173.8-59.3-170.9-177.4-174.7-2.2113.2T216 A225 R230 Y389T216-R227 PolarHBondContact OG1-O 3.16Å; A225-R227 PolarHBondContact O-N 3.37Å; R227-R230 HydrophobicContact CB-CG 4.11Å; R227-R230 WeakPolarHBondContact O-CG 3.33Å; R227-Y389 PolarHBondContact NH1-OH 2.67Å; R227-Y389 PolarHBondContact NH2-OH 2.84Å
228S65.3Low67.1Low49 Ų4962.7 Ų62.734%0.34333%0.334SS..THydrogen-bonded Turntrans-60.7146.3174.1-51.80000112.8S217 L218 R230S217-S228 VanDerWaalsContact O-CB 3.24Å; S217-S228 WeakPolarHBondContact O-CB 3.45Å; L218-S228 WeakPolarHBondContact O-CB 3.19Å; L218-S228 PolarHBondContact O-OG 2.74Å; S228-R230 VanDerWaalsContact C-N 3.32Å; S228-R230 PolarHBondContact O-N 2.83Å
229G62.8Low66.3Low30 Ų3068 Ų6831%0.30936%0.358SS..THydrogen-bonded Turntrans77.88.5175.900000115.7T216T216-G229 WeakPolarHBondContact O-CA 3.34Å; T216-G229 PolarHBondContact O-N 3.18Å; T216-G229 PolarHBondContact OG1-N 3.02Å; T216-G229 VanDerWaalsContact OG1-N 3.15Å
230R65.9Low65.4Low115 Ų11569.4 Ų69.443%0.43436%0.361SS..  trans-69.9145.9168.1-68.1-66.7-166.3161.95111T216 T226 R227 S228T216-R230 PolarHBondContact N-O 3.39Å; T216-R230 WeakPolarHBondContact OG1-CA 3.27Å; T216-R230 WeakPolarHBondContact OG1-CB 3.5Å; T216-R230 PolarHBondContact OG1-N 3.41Å; T216-R230 PolarHBondContact OG1-O 3.39Å; T226-R230 WeakPolarHBondContact O-CG 3.41Å; R227-R230 HydrophobicContact CB-CG 4.11Å; R227-R230 WeakPolarHBondContact O-CG 3.33Å; S228-R230 VanDerWaalsContact C-N 3.32Å; S228-R230 PolarHBondContact O-N 2.83Å
231M68.1Low63.8Low78 Ų7875.6 Ų75.638%0.38439%0.388SS..EExtended strand (participates in β ladder)trans-136.5132.6177.9173.9-172.1-49.900109F214 Y215F214-M231 WeakPolarHBondContact O-CA 3.48Å; Y215-M231 HydrophobicContact CD1-CB 3.98Å; Y215-M231 HydrophobicContact CD1-CE 3.67Å; Y215-M231 HydrophobicContact CD1-CG 3.5Å; Y215-M231 VanDerWaalsContact CD1-CG 3.5Å; Y215-M231 HydrophobicContact CD1-SD 4.04Å; Y215-M231 HydrophobicContact CE1-CB 4.35Å; Y215-M231 HydrophobicContact CE1-CE 3.5Å; Y215-M231 HydrophobicContact CE1-CG 3.38Å; Y215-M231 HydrophobicContact CE1-SD 3.51Å; Y215-M231 VanDerWaalsContact CE1-SD 3.51Å
232N73.2Confident62.4Low56 Ų5675.5 Ų75.530%0.29938%0.383SS..EExtended strand (participates in β ladder)trans-110.6121.8153.5-179.5-10.5000106.2G213 F214 N234G213-N232 CarbonylContact C-O 3.51Å; G213-N232 VanDerWaalsContact C-O 3.27Å; G213-N232 WeakPolarHBondContact CA-O 3.45Å; F214-N232 PolarHBondContact N-O 2.92Å; F214-N232 PolarHBondContact O-N 3.32Å; N232-N234 VanDerWaalsContact C-N 3.33Å; N232-N234 VanDerWaalsContact OD1-CB 3.24Å; N232-N234 WeakPolarHBondContact OD1-CB 3.32Å; N232-N234 PolarHBondContact OD1-N 3.44Å; N232-N234 PolarHBondContact OD1-ND2 2.86Å
233S68.6Low61Low79 Ų7983.7 Ų83.755%0.55242%0.421SS*.EExtended strand (participates in β ladder)trans-85.3-5.9-178.452.80000113.8
234N75.5Confident59.5Low105 Ų10584.5 Ų84.556%0.56143%0.433SS*.EExtended strand (participates in β ladder)trans-66.3150.9-175.8-62.9-10.3000111.3G213 N232 L236G213-N234 WeakPolarHBondContact CA-O 3.33Å; G213-N234 PolarHBondContact N-O 2.94Å; N232-N234 VanDerWaalsContact C-N 3.33Å; N232-N234 VanDerWaalsContact OD1-CB 3.24Å; N232-N234 WeakPolarHBondContact OD1-CB 3.32Å; N232-N234 PolarHBondContact OD1-N 3.44Å; N232-N234 PolarHBondContact OD1-ND2 2.86Å; N234-L236 PolarHBondContact O-N 2.76Å
235T70.7Confident58.4Low73 Ų7382 Ų8245%0.44845%0.449SS..EExtended strand (participates in β ladder)trans-53.5130.8168.8-54.50000109.5P210 E237P210-T235 HydrophobicContact CB-CG2 3.57Å; T235-E237 HydrophobicContact CG2-CG 4.2Å; T235-E237 PolarHBondContact O-N 2.88Å
236L70.1Confident57.6Low12 Ų1281.4 Ų81.46%0.06345%0.449CS..  trans-83.9101.4176.6-60.2-179.1000108.7P211 G213 F214 N234 M257 L316 I339P211-L236 HydrophobicContact CG-CB 4.27Å; P211-L236 HydrophobicContact CG-CD1 4.31Å; P211-L236 PolarHBondContact O-N 3.36Å; G213-L236 WeakPolarHBondContact O-CD1 3.39Å; F214-L236 HydrophobicContact CB-CD1 4.2Å; F214-L236 HydrophobicContact CB-CD2 3.9Å; F214-L236 HydrophobicContact CD2-CD1 4.11Å; N234-L236 PolarHBondContact O-N 2.76Å; L236-M257 HydrophobicContact CB-CE 4.45Å; L236-M257 HydrophobicContact CB-SD 3.59Å; L236-M257 VanDerWaalsContact CB-SD 3.59Å; L236-M257 HydrophobicContact CD1-SD 4.42Å; L236-L316 HydrophobicContact CD1-CD1 3.72Å; L236-I339 HydrophobicContact CD1-CD1 4.1Å; L236-I339 HydrophobicContact CD2-CD1 4.15Å; L236-I339 HydrophobicContact CG-CD1 4.49Å
237E66.5Low56.6Low135 Ų13589.6 Ų89.663%0.63149%0.492SS*.  trans-99.2130.5171.3-64.5-174.7-179.900109.2T235 E239T235-E237 HydrophobicContact CG2-CG 4.2Å; T235-E237 PolarHBondContact O-N 2.88Å; E237-E239 PolarHBondContact O-N 2.68Å
238I62.2Low55.3Low36 Ų3691.8 Ų91.819%0.18551%0.507CS..  trans-82.2110.9166.4-60.9176.2000106.3D183 K240 M257D183-I238 WeakPolarHBondContact OD1-CD1 3.14Å; I238-K240 PolarHBondContact O-N 2.65Å; I238-M257 HydrophobicContact CD1-CE 4.06Å; I238-M257 HydrophobicContact CD1-CG 3.78Å; I238-M257 HydrophobicContact CG1-CE 3.96Å; I238-M257 HydrophobicContact CG1-CG 4.01Å; I238-M257 HydrophobicContact CG1-SD 4.32Å
239E54Low54Low175 Ų17595.9 Ų95.982%0.81852%0.524SS*.  trans-61.9100.7167.8-74-177-176.300109E237E237-E239 PolarHBondContact O-N 2.68Å
240K48.2Very low52.6Low90 Ų90100.7 Ų100.739%0.39154%0.538SS..  trans-98.1102164.1-162176.2177.2-176.40107.4I238 I242 V254I238-K240 PolarHBondContact O-N 2.65Å; K240-I242 VanDerWaalsContact C-N 3.3Å; K240-I242 HydrophobicContact CB-CG1 4.42Å; K240-I242 HydrophobicContact CD-CD1 4.1Å; K240-I242 HydrophobicContact CD-CG1 3.92Å; K240-I242 HydrophobicContact CG-CD1 4.49Å; K240-I242 HydrophobicContact CG-CG1 3.81Å; K240-I242 PolarHBondContact O-N 2.92Å; K240-V254 HydrophobicContact CB-CG2 3.89Å; K240-V254 HydrophobicContact CD-CG2 3.52Å; K240-V254 HydrophobicContact CG-CG2 4.33Å
241Q39.9Very low51.2Low140 Ų140100.3 Ų100.365%0.65455%0.549SS*.  trans-68.594.7161.4-70.5-161.1-13.600107.7H243Q241-H243 PolarHBondContact O-N 3.31Å
242I40Very low49.9Very low52 Ų52103.3 Ų103.327%0.26756%0.562SS.*  trans-82.8112.4164.5-55.9-176.7000105.6K240 G244 Q252K240-I242 VanDerWaalsContact C-N 3.3Å; K240-I242 HydrophobicContact CB-CG1 4.42Å; K240-I242 HydrophobicContact CD-CD1 4.1Å; K240-I242 HydrophobicContact CD-CG1 3.92Å; K240-I242 HydrophobicContact CG-CD1 4.49Å; K240-I242 HydrophobicContact CG-CG1 3.81Å; K240-I242 PolarHBondContact O-N 2.92Å; I242-G244 PolarHBondContact O-N 3.34Å; I242-Q252 HydrophobicContact CD1-CB 3.57Å
243H34.8Very low48.5Very low173 Ų173105.2 Ų105.280%0.80158%0.576SS**  trans-63.894.2161.9-73.2-69.7000107.2Q241Q241-H243 PolarHBondContact O-N 3.31Å
244G34.5Very low47.8Very low33 Ų33103 Ų10334%0.3456%0.56SS.*  trans-59.6141.3165.600000108.8I242 G246I242-G244 PolarHBondContact O-N 3.34Å; G244-G246 VanDerWaalsContact C-N 3.25Å; G244-G246 CarbonylContact C-O 3.55Å; G244-G246 PolarHBondContact O-N 2.94Å; G244-G246 VanDerWaalsContact O-O 3.06Å
245A39.5Very low47Very low120 Ų120100.3 Ų100.399%0.99255%0.548SS*.SBendtrans-64.695.2161.800000107.2
246G40.9Very low47Very low51 Ų5197.4 Ų97.453%0.52653%0.531SS..SBendtrans120.4136.4-17000000110.4G244 Q248G244-G246 VanDerWaalsContact C-N 3.25Å; G244-G246 CarbonylContact C-O 3.55Å; G244-G246 PolarHBondContact O-N 2.94Å; G244-G246 VanDerWaalsContact O-O 3.06Å; G246-Q248 PolarHBondContact O-N 2.85Å
247N43.1Very low47.7Very low183 Ų18397 Ų9798%0.97953%0.529SS*.SBendtrans-62.628.2-173.3-75.7-16.7000116
248Q38.5Very low49Very low142 Ų14290.6 Ų90.666%0.66450%0.499SS*.  trans-101.7110.2171.4-63.9-171.1-9.100108.7G246 Q250G246-Q248 PolarHBondContact O-N 2.85Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.79Å
249L37.7Very low50.5Low136 Ų13688.9 Ų88.971%0.71249%0.49SS*.  trans-58.695.7164.2-112.689.3000107.7T251L249-T251 PolarHBondContact O-N 2.84Å
250Q33.9Very low52.4Low130 Ų13080.6 Ų80.661%0.60745%0.451SS*.  trans-90.8100.1167.6-68.3-171.212.200107.3Q248 Q252Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.79Å; Q250-Q252 PolarHBondContact O-N 3.43Å
251T36Very low54.5Low108 Ų10876.7 Ų76.766%0.66344%0.435SS*.  trans-69.581.516552.20000107.5L249 T253L249-T251 PolarHBondContact O-N 2.84Å; T251-T253 PolarHBondContact O-N 3.35Å
252Q40.4Very low57Low140 Ų14071 Ų7165%0.65441%0.41SS*.  trans-65.7105.5165.8-164.9176.826.200105.9I242 Q250 V254I242-Q252 HydrophobicContact CD1-CB 3.57Å; Q250-Q252 PolarHBondContact O-N 3.43Å; Q252-V254 PolarHBondContact O-N 2.87Å
253T43.4Very low59.3Low96 Ų9670.7 Ų70.759%0.58941%0.407SS*.  trans-54.7108175.8-44.10000107.1P210 T251 C255P210-T253 HydrophobicContact CG-CG2 4.24Å; T251-T253 PolarHBondContact O-N 3.35Å; T253-C255 VanDerWaalsContact C-N 3.31Å; T253-C255 PolarHBondContact O-N 3.15Å
254V53Low61.6Low34 Ų3464.7 Ų64.721%0.20638%0.382CS..  trans-61.3102.5169.2-179.90000104.3K240 Q252 C256K240-V254 HydrophobicContact CB-CG2 3.89Å; K240-V254 HydrophobicContact CD-CG2 3.52Å; K240-V254 HydrophobicContact CG-CG2 4.33Å; Q252-V254 PolarHBondContact O-N 2.87Å; V254-C256 PolarHBondContact O-N 2.98Å
255C60Low64Low47 Ų4769.4 Ų69.432%0.31840%0.4SS..  trans-52.5-31.3-171.2125.40000112L207 R208 T253L207-C255 PolarHBondContact O-SG 2.89Å; R208-C255 PolarHBondContact O-SG 2.69Å; T253-C255 VanDerWaalsContact C-N 3.31Å; T253-C255 PolarHBondContact O-N 3.15Å
256C69.4Low66.3Low13 Ų1365.4 Ų65.49%0.08836%0.362CS..  trans-130.488.8-150.8-28.50000108.4D183 R206 L207 V254D183-C256 WeakPolarHBondContact CB-O 3.21Å; R206-C256 HydrophobicContact CB-CB 4.48Å; L207-C256 WeakPolarHBondContact O-CA 3.25Å; L207-C256 WeakPolarHBondContact O-CB 3.39Å; L207-C256 PolarHBondContact O-SG 3.38Å; V254-C256 PolarHBondContact O-N 2.98Å
257M86.5Confident68.4Low4 Ų465.2 Ų65.22%0.0235%0.346CS..  trans-60.5160.4147.2-61.3-164.285.400108.5L207 P211 L236 I238 F334 I339L207-M257 WeakPolarHBondContact CB-O 3.09Å; L207-M257 WeakPolarHBondContact CG-O 3.12Å; L207-M257 PolarHBondContact N-O 3.29Å; P211-M257 HydrophobicContact CG-CB 4.3Å; P211-M257 HydrophobicContact CG-CG 4.43Å; P211-M257 HydrophobicContact CG-SD 3.72Å; L236-M257 HydrophobicContact CB-CE 4.45Å; L236-M257 HydrophobicContact CB-SD 3.59Å; L236-M257 VanDerWaalsContact CB-SD 3.59Å; L236-M257 HydrophobicContact CD1-SD 4.42Å; I238-M257 HydrophobicContact CD1-CE 4.06Å; I238-M257 HydrophobicContact CD1-CG 3.78Å; I238-M257 HydrophobicContact CG1-CE 3.96Å; I238-M257 HydrophobicContact CG1-CG 4.01Å; I238-M257 HydrophobicContact CG1-SD 4.32Å; M257-F334 HydrophobicContact CE-CB 3.99Å; M257-F334 HydrophobicContact CE-CG 4.17Å; M257-I339 HydrophobicContact CE-CD1 3.82Å
258A92.3Very high70.4Confident0 Ų059.8 Ų59.80%032%0.315CS..EExtended strand (participates in β ladder)trans-114.8160.5171.200000112.2D183 I204 H205 A333D183-A258 VanDerWaalsContact C-CB 3.44Å; I204-A258 HydrophobicContact CD1-CB 3.8Å; I204-A258 HydrophobicContact CG1-CB 3.74Å; H205-A258 CarbonylContact O-C 3.46Å; H205-A258 VanDerWaalsContact O-CA 3.23Å; H205-A258 WeakPolarHBondContact O-CA 3.47Å; A258-A333 HydrophobicContact CB-CB 4.43Å; A258-A333 WeakPolarHBondContact O-CB 2.98Å
259T93.9Very high72.8Confident0 Ų054.5 Ų54.50%029%0.29CS..EExtended strand (participates in β ladder)trans-131.5167171600000110.4I204 H205 L207 T276 T278 Q314 S315 L316I204-T259 WeakPolarHBondContact CA-O 3.38Å; H205-T259 PolarHBondContact N-O 3.19Å; H205-T259 PolarHBondContact O-N 2.86Å; L207-T259 HydrophobicContact CD1-CG2 4Å; L207-T259 HydrophobicContact CD2-CG2 4.41Å; L207-T259 HydrophobicContact CG-CG2 4.41Å; T259-T276 HydrophobicContact CG2-CG2 3.78Å; T259-T278 HydrophobicContact CG2-CG2 3.92Å; T259-Q314 HydrophobicContact CG2-CB 3.97Å; T259-Q314 PolarHBondContact OG1-OE1 3.07Å; T259-S315 CarbonylContact C-O 3.46Å; T259-S315 VanDerWaalsContact CA-O 3.25Å; T259-S315 WeakPolarHBondContact CA-O 3.19Å; T259-S315 WeakPolarHBondContact CB-O 3.19Å; T259-L316 HydrophobicContact CG2-CD2 4.19Å
260L94.5Very high75.3Confident1 Ų148.8 Ų48.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-116.2131.3-176.4-68.4173.4000110.1L181 I197 L202 Y203 S315 L318 L331 A333L181-L260 HydrophobicContact CD1-CD1 4Å; L181-L260 HydrophobicContact CD1-CD2 3.36Å; L181-L260 HydrophobicContact CD1-CG 4.09Å; I197-L260 HydrophobicContact CD1-CD2 3.39Å; L202-L260 HydrophobicContact CD1-CB 4.33Å; L202-L260 HydrophobicContact CD2-CD2 3.96Å; L202-L260 HydrophobicContact CG-CD2 4.23Å; Y203-L260 WeakPolarHBondContact O-CA 3.24Å; L260-S315 PolarHBondContact N-O 2.86Å; L260-S315 WeakPolarHBondContact O-CB 3.46Å; L260-S315 PolarHBondContact O-N 3.07Å; L260-L318 HydrophobicContact CB-CB 4.47Å; L260-L318 HydrophobicContact CB-CD2 4.25Å; L260-L318 HydrophobicContact CD1-CB 3.73Å; L260-L318 HydrophobicContact CD1-CD2 4.46Å; L260-L331 HydrophobicContact CD1-CB 3.88Å; L260-A333 HydrophobicContact CD1-CB 4.33Å; L260-A333 HydrophobicContact CG-CB 3.98Å
261V92.5Very high77.9Confident8 Ų843.7 Ų43.75%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-134.1108.7-179.1-176.40000109.8W194 Y203 V293 Q314W194-V261 HydrophobicContact CH2-CG2 4.13Å; W194-V261 HydrophobicContact CZ3-CB 3.98Å; W194-V261 HydrophobicContact CZ3-CG1 4.42Å; W194-V261 HydrophobicContact CZ3-CG2 3.7Å; Y203-V261 PolarHBondContact N-O 2.77Å; Y203-V261 PolarHBondContact O-N 3.1Å; V261-V293 HydrophobicContact CG1-CG1 3.93Å; V261-Q314 HydrophobicContact CG2-CB 4.26Å; V261-Q314 HydrophobicContact CG2-CG 3.92Å
262P91.8Very high80.5Confident21 Ų2139.2 Ų39.214%0.13621%0.208CC..EExtended strand (participates in β ladder)trans-59152.1174.4-28.437.1000113.3L202 K267 Y270 L318L202-P262 HydrophobicContact CD1-CB 4.36Å; L202-P262 HydrophobicContact CD1-CG 3.98Å; P262-K267 HydrophobicContact CB-CG 4.26Å; P262-Y270 HydrophobicContact CB-CD2 3.58Å; P262-Y270 HydrophobicContact CB-CE2 4.04Å; P262-Y270 HydrophobicContact CB-CG 4.38Å; P262-Y270 HydrophobicContact CG-CD2 3.66Å; P262-Y270 HydrophobicContact CG-CE2 4.42Å; P262-Y270 HydrophobicContact CG-CG 3.96Å; P262-L318 HydrophobicContact CG-CD2 4.17Å
263F88.8Confident82.8Confident44 Ų4432.5 Ų32.519%0.19318%0.177CC..  trans-64145.3169.5-67.26.7000109.8K196 P201 Y203 N265 N266 K267K196-F263 HydrophobicContact CD-CZ 3.97Å; K196-F263 HydrophobicContact CG-CZ 3.95Å; P201-F263 HydrophobicContact CB-CB 4.22Å; P201-F263 HydrophobicContact CB-CD2 3.59Å; P201-F263 HydrophobicContact CB-CE2 4.1Å; P201-F263 HydrophobicContact CB-CG 3.92Å; P201-F263 WeakPolarHBondContact O-CD1 3.44Å; P201-F263 WeakPolarHBondContact O-CG 3.41Å; P201-F263 PolarHBondContact O-N 3.16Å; Y203-F263 AromaticContact CD1-CE1 3.73Å; Y203-F263 HydrophobicContact CD1-CE1 3.73Å; Y203-F263 HydrophobicContact CD1-CZ 4.48Å; Y203-F263 AromaticContact CD2-CD1 3.44Å; Y203-F263 HydrophobicContact CD2-CD1 3.44Å; Y203-F263 VanDerWaalsContact CD2-CD1 3.44Å; Y203-F263 AromaticContact CD2-CE1 3.42Å; Y203-F263 HydrophobicContact CD2-CE1 3.42Å; Y203-F263 VanDerWaalsContact CD2-CE1 3.42Å; Y203-F263 HydrophobicContact CE1-CD1 4.37Å; Y203-F263 AromaticContact CE1-CE1 3.49Å; Y203-F263 HydrophobicContact CE1-CE1 3.49Å; Y203-F263 VanDerWaalsContact CE1-CE1 3.49Å; Y203-F263 AromaticContact CE1-CZ 3.93Å; Y203-F263 HydrophobicContact CE1-CZ 3.93Å; Y203-F263 AromaticContact CE2-CD1 3.18Å; Y203-F263 HydrophobicContact CE2-CD1 3.18Å; Y203-F263 AromaticContact CE2-CE1 3.17Å; Y203-F263 HydrophobicContact CE2-CE1 3.17Å; Y203-F263 HydrophobicContact CE2-CG 4.18Å; Y203-F263 HydrophobicContact CE2-CZ 4.11Å; Y203-F263 HydrophobicContact CG-CD1 4.14Å; Y203-F263 AromaticContact CG-CE1 3.69Å; Y203-F263 HydrophobicContact CG-CE1 3.69Å; Y203-F263 AromaticContact CZ-CD1 3.7Å; Y203-F263 AromaticContact CZ-CE1 3.19Å; Y203-F263 AromaticContact CZ-CZ 3.72Å; F263-N265 VanDerWaalsContact C-N 3.26Å; F263-N265 PolarHBondContact O-N 2.84Å; F263-N265 VanDerWaalsContact O-N 3.16Å; F263-N266 HydrophobicContact CB-CB 4.29Å; F263-N266 CarbonylContact O-C 3.49Å; F263-N266 PolarHBondContact O-N 3Å; F263-K267 PolarHBondContact O-N 2.87Å; F263-K267 VanDerWaalsContact O-N 3.13Å
264T82.7Confident85Confident47 Ų4728 Ų2829%0.28815%0.149SC..G310 helixtrans-51.1-44.8-175.4-400000112.9N266 K296T264-N266 VanDerWaalsContact C-N 3.26Å; T264-N266 PolarHBondContact O-N 2.96Å; T264-K296 PolarHBondContact OG1-NZ 2.98Å
265N85Confident86.7Confident133 Ų13326.5 Ų26.571%0.71114%0.14SC*.G310 helixtrans-82.2-5.5-174.5-57.9-3.8000113F263 Q268F263-N265 VanDerWaalsContact C-N 3.26Å; F263-N265 PolarHBondContact O-N 2.84Å; F263-N265 VanDerWaalsContact O-N 3.16Å; N265-Q268 PolarHBondContact O-NE2 2.75Å; N265-Q268 PolarHBondContact O-OE1 2.56Å
266N88.7Confident88.1Confident36 Ų3624.2 Ų24.219%0.19313%0.125CC..G310 helixtrans-12615.4-174.1-57.7103.3000112.1P201 F263 T264 Q268 F269 Y270P201-N266 HydrophobicContact CB-CB 3.77Å; P201-N266 HydrophobicContact CG-CB 3.89Å; F263-N266 HydrophobicContact CB-CB 4.29Å; F263-N266 CarbonylContact O-C 3.49Å; F263-N266 PolarHBondContact O-N 3Å; T264-N266 VanDerWaalsContact C-N 3.26Å; T264-N266 PolarHBondContact O-N 2.96Å; N266-Q268 VanDerWaalsContact C-OE1 3.27Å; N266-Q268 PolarHBondContact O-N 3.29Å; N266-F269 HydrophobicContact CB-CD2 3.75Å; N266-F269 HydrophobicContact CB-CE2 4.01Å; N266-F269 HydrophobicContact CB-CG 4.25Å; N266-F269 WeakPolarHBondContact ND2-CE2 3.48Å; N266-F269 WeakPolarHBondContact ND2-CZ 3.26Å; N266-F269 WeakPolarHBondContact O-CB 3.38Å; N266-F269 PolarHBondContact O-N 2.91Å; N266-Y270 WeakPolarHBondContact O-CD2 3.5Å
267K84.8Confident89Confident46 Ų4625.2 Ų25.220%0.213%0.128CC..G310 helixtrans-54.3-37.6177.9-74.1-178.7175.4-178.40112.1P262 F263 F269 Y270 Y288P262-K267 HydrophobicContact CB-CG 4.26Å; F263-K267 PolarHBondContact O-N 2.87Å; F263-K267 VanDerWaalsContact O-N 3.13Å; K267-F269 PolarHBondContact O-N 2.9Å; K267-F269 VanDerWaalsContact O-N 3.11Å; K267-Y270 PolarHBondContact O-N 3.27Å; K267-Y270 VanDerWaalsContact O-N 3.08Å; K267-Y270 VanDerWaalsContact O-O 3.13Å; K267-Y288 VanDerWaalsContact NZ-CZ 3.35Å; K267-Y288 PolarHBondContact NZ-OH 3.18Å
268Q84.1Confident89.1Confident69 Ų6926.9 Ų26.932%0.32214%0.138SC..G310 helixtrans-62.1-14.1177.172.4-75.86.500114.5F68 N265 N266 Y270F68-Q268 WeakPolarHBondContact CE1-O 3.24Å; F68-Q268 HydrophobicContact CZ-CB 4.31Å; F68-Q268 VanDerWaalsContact CZ-O 3.25Å; F68-Q268 WeakPolarHBondContact CZ-O 3.29Å; N265-Q268 PolarHBondContact O-NE2 2.75Å; N265-Q268 PolarHBondContact O-OE1 2.56Å; N266-Q268 VanDerWaalsContact C-OE1 3.27Å; N266-Q268 PolarHBondContact O-N 3.29Å; Q268-Y270 PolarHBondContact O-N 2.87Å
269F89.5Confident88.8Confident31 Ų3128.3 Ų28.314%0.13615%0.153CC..G310 helixtrans-79.9-8.6176-61.6-6.9000112.8P201 N266 K267 V321 L323 F324P201-F269 HydrophobicContact CG-CD2 3.85Å; P201-F269 HydrophobicContact CG-CE2 4.28Å; N266-F269 HydrophobicContact CB-CD2 3.75Å; N266-F269 HydrophobicContact CB-CE2 4.01Å; N266-F269 HydrophobicContact CB-CG 4.25Å; N266-F269 WeakPolarHBondContact ND2-CE2 3.48Å; N266-F269 WeakPolarHBondContact ND2-CZ 3.26Å; N266-F269 WeakPolarHBondContact O-CB 3.38Å; N266-F269 PolarHBondContact O-N 2.91Å; K267-F269 PolarHBondContact O-N 2.9Å; K267-F269 VanDerWaalsContact O-N 3.11Å; F269-V321 WeakPolarHBondContact O-CG2 3.04Å; F269-V321 PolarHBondContact O-N 3.19Å; F269-V321 VanDerWaalsContact O-N 3.14Å; F269-L323 HydrophobicContact CB-CB 4.36Å; F269-L323 HydrophobicContact CD1-CB 3.41Å; F269-L323 VanDerWaalsContact CD1-CB 3.41Å; F269-L323 HydrophobicContact CD1-CD1 3.77Å; F269-L323 HydrophobicContact CD1-CG 4.25Å; F269-L323 HydrophobicContact CE1-CB 3.79Å; F269-L323 HydrophobicContact CE1-CD1 4.31Å; F269-L323 HydrophobicContact CG-CB 3.93Å; F269-F324 HydrophobicContact CD2-CB 3.9Å; F269-F324 HydrophobicContact CE2-CB 4.01Å; F269-F324 HydrophobicContact CE2-CD2 4.03Å
270Y90.4Very high88.2Confident17 Ų1734.5 Ų34.57%0.06718%0.182CC..EExtended strand (participates in β ladder)trans-133146.5-171.5-54.8-81.4000112.4P201 L202 P262 N266 K267 Q268 L318 E319 D320P201-Y270 VanDerWaalsContact CD-OH 3.24Å; P201-Y270 WeakPolarHBondContact CD-OH 3.27Å; P201-Y270 HydrophobicContact CG-CE2 4.23Å; P201-Y270 WeakPolarHBondContact CG-OH 3.32Å; P201-Y270 WeakPolarHBondContact O-CE2 3.21Å; L202-Y270 HydrophobicContact CB-CE1 4.45Å; L202-Y270 HydrophobicContact CD1-CE1 4.45Å; L202-Y270 HydrophobicContact CD1-CE2 4.48Å; L202-Y270 HydrophobicContact CD2-CE1 4.07Å; P262-Y270 HydrophobicContact CB-CD2 3.58Å; P262-Y270 HydrophobicContact CB-CE2 4.04Å; P262-Y270 HydrophobicContact CB-CG 4.38Å; P262-Y270 HydrophobicContact CG-CD2 3.66Å; P262-Y270 HydrophobicContact CG-CE2 4.42Å; P262-Y270 HydrophobicContact CG-CG 3.96Å; N266-Y270 WeakPolarHBondContact O-CD2 3.5Å; K267-Y270 PolarHBondContact O-N 3.27Å; K267-Y270 VanDerWaalsContact O-N 3.08Å; K267-Y270 VanDerWaalsContact O-O 3.13Å; Q268-Y270 PolarHBondContact O-N 2.87Å; Y270-L318 HydrophobicContact CD1-CD2 3.43Å; Y270-L318 VanDerWaalsContact CD1-CD2 3.43Å; Y270-L318 HydrophobicContact CD1-CG 4.02Å; Y270-L318 HydrophobicContact CE1-CD2 4.19Å; Y270-L318 HydrophobicContact CG-CD2 3.65Å; Y270-L318 HydrophobicContact CG-CG 4.22Å; Y270-E319 CarbonylContact C-O 3.56Å; Y270-E319 WeakPolarHBondContact CA-O 3.33Å; Y270-D320 HydrophobicContact CD1-CB 3.94Å; Y270-D320 HydrophobicContact CE1-CB 3.88Å
271N89Confident87.2Confident22 Ų2238.6 Ų38.612%0.11820%0.198CC..EExtended strand (participates in β ladder)trans-122.9122.3174.1-178.628.8000109.7S62 I273 E319S62-N271 WeakPolarHBondContact CB-OD1 3.08Å; N271-I273 PolarHBondContact O-N 3.32Å; N271-E319 HydrophobicContact CB-CB 4.16Å; N271-E319 PolarHBondContact N-O 3.39Å; N271-E319 PolarHBondContact ND2-OE2 3.09Å; N271-E319 PolarHBondContact O-N 2.86Å
272T89.5Confident86.1Confident14 Ų1442.6 Ų42.69%0.08623%0.226CC..EExtended strand (participates in β ladder)trans-71.4121.8178-60.90000110.2C60 S217 F275 S315C60-T272 HydrophobicContact CB-CG2 4.1Å; S217-T272 WeakPolarHBondContact CB-O 3.12Å; S217-T272 PolarHBondContact OG-O 3.44Å; T272-F275 HydrophobicContact CG2-CB 3.9Å; T272-F275 HydrophobicContact CG2-CD1 3.85Å; T272-F275 HydrophobicContact CG2-CG 4.3Å; T272-S315 WeakPolarHBondContact CG2-OG 3.41Å; T272-S315 PolarHBondContact OG1-OG 3.34Å
273I89Confident84.9Confident0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans-91.9-49.4175.9-62.4157.2000109.7S217 A220 I222 L223 N271 V317 E319 V330 L345S217-I273 PolarHBondContact N-O 2.9Å; A220-I273 HydrophobicContact CB-CG2 4.43Å; I222-I273 HydrophobicContact CD1-CD1 3.29Å; I222-I273 HydrophobicContact CD1-CG1 3.8Å; L223-I273 HydrophobicContact CD2-CG2 3.58Å; L223-I273 HydrophobicContact CG-CG2 4.23Å; N271-I273 PolarHBondContact O-N 3.32Å; I273-V317 HydrophobicContact CB-CB 4.14Å; I273-V317 HydrophobicContact CB-CG1 4.16Å; I273-V317 WeakPolarHBondContact CB-O 3.19Å; I273-V317 HydrophobicContact CD1-CG1 3.76Å; I273-V317 HydrophobicContact CG2-CB 4.45Å; I273-V317 HydrophobicContact CG2-CG1 4.36Å; I273-V317 PolarHBondContact N-O 3.48Å; I273-E319 HydrophobicContact CD1-CB 3.89Å; I273-E319 HydrophobicContact CG1-CB 4.2Å; I273-V330 HydrophobicContact CD1-CG1 3.68Å; I273-V330 HydrophobicContact CD1-CG2 4.33Å; I273-L345 HydrophobicContact CG2-CD2 4.07Å
274A89.1Confident83.4Confident0 Ų051.9 Ų51.90%026%0.263CS..EExtended strand (participates in β ladder)trans-138.9149.4176.700000110.5F214 Y215 S315 L316 V317 L345F214-A274 HydrophobicContact CE1-CB 3.61Å; F214-A274 HydrophobicContact CE2-CB 4.3Å; F214-A274 HydrophobicContact CZ-CB 3.45Å; F214-A274 VanDerWaalsContact CZ-CB 3.45Å; Y215-A274 CarbonylContact O-C 3.55Å; Y215-A274 WeakPolarHBondContact O-CA 3.32Å; Y215-A274 WeakPolarHBondContact O-CB 3.19Å; A274-S315 CarbonylContact O-C 3.56Å; A274-S315 WeakPolarHBondContact O-CA 3.31Å; A274-L316 HydrophobicContact CB-CB 4.48Å; A274-L316 PolarHBondContact O-N 3.33Å; A274-V317 HydrophobicContact CB-CB 4.13Å; A274-V317 HydrophobicContact CB-CG2 4.11Å; A274-V317 PolarHBondContact N-O 2.93Å; A274-V317 PolarHBondContact O-N 2.74Å; A274-V317 VanDerWaalsContact O-N 3.1Å; A274-L345 HydrophobicContact CB-CD1 4.32Å
275F90.2Very high82Confident3 Ų354 Ų541%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-145.9171.3-176.559.7-85000111.1Y58 Y215 T272 A299 Y313 Q314Y58-F275 VanDerWaalsContact O-CZ 3.26Å; Y58-F275 WeakPolarHBondContact O-CZ 3.49Å; Y215-F275 HydrophobicContact CD1-CE2 4.41Å; Y215-F275 HydrophobicContact CD2-CD2 4.07Å; Y215-F275 HydrophobicContact CD2-CE2 4.08Å; Y215-F275 WeakPolarHBondContact CD2-O 3.31Å; Y215-F275 HydrophobicContact CG-CD2 4.12Å; Y215-F275 AromaticContact CG-CE2 3.72Å; Y215-F275 HydrophobicContact CG-CE2 3.72Å; Y215-F275 HydrophobicContact CG-CZ 4.17Å; Y215-F275 PolarHBondContact N-O 3.32Å; Y215-F275 PolarHBondContact O-N 3.06Å; T272-F275 HydrophobicContact CG2-CB 3.9Å; T272-F275 HydrophobicContact CG2-CD1 3.85Å; T272-F275 HydrophobicContact CG2-CG 4.3Å; F275-A299 HydrophobicContact CE2-CB 4.43Å; F275-Y313 AromaticContact CD2-CD1 3.67Å; F275-Y313 HydrophobicContact CD2-CD1 3.67Å; F275-Y313 AromaticContact CD2-CG 3.97Å; F275-Y313 HydrophobicContact CD2-CG 3.97Å; F275-Y313 AromaticContact CE2-CD1 3.85Å; F275-Y313 HydrophobicContact CE2-CD1 3.85Å; F275-Y313 HydrophobicContact CE2-CE1 4.38Å; F275-Y313 HydrophobicContact CE2-CG 4.15Å; F275-Q314 CarbonylContact C-O 3.56Å; F275-Q314 WeakPolarHBondContact CA-O 3.36Å; F275-Q314 VanDerWaalsContact CB-O 3.22Å; F275-Q314 WeakPolarHBondContact CB-O 3.35Å
276T89.4Confident80.5Confident0 Ų056.2 Ų56.20%028%0.277CS..EExtended strand (participates in β ladder)trans-146.2157.5-177.7-169.30000111.1P211 Q212 G213 T259 T278 Y313 Q314 L316P211-T276 HydrophobicContact CB-CG2 3.54Å; P211-T276 WeakPolarHBondContact CB-OG1 3.41Å; P211-T276 HydrophobicContact CG-CG2 3.92Å; Q212-T276 PolarHBondContact O-OG1 2.89Å; G213-T276 WeakPolarHBondContact O-CB 3.2Å; G213-T276 PolarHBondContact O-OG1 2.97Å; T259-T276 HydrophobicContact CG2-CG2 3.78Å; T276-T278 HydrophobicContact CG2-CG2 3.97Å; T276-Y313 CarbonylContact O-C 3.56Å; T276-Y313 VanDerWaalsContact O-CA 3.24Å; T276-Y313 WeakPolarHBondContact O-CA 3.49Å; T276-Q314 PolarHBondContact N-O 2.67Å; T276-Q314 PolarHBondContact O-N 2.79Å; T276-L316 HydrophobicContact CG2-CD1 4.18Å; T276-L316 HydrophobicContact CG2-CD2 3.83Å; T276-L316 HydrophobicContact CG2-CG 3.8Å
277K88.2Confident78.9Confident33 Ų3358.4 Ų58.414%0.14329%0.292CS..EExtended strand (participates in β ladder)trans-83121.2173.6-175.5-177.6171.6-173.50109P211 Q212 Y215 E280 P311 V312 Y313P211-K277 WeakPolarHBondContact CB-O 3.24Å; Q212-K277 HydrophobicContact CB-CB 4.22Å; Q212-K277 PolarHBondContact N-O 2.85Å; Q212-K277 WeakPolarHBondContact O-CB 3.33Å; Q212-K277 PolarHBondContact O-N 2.94Å; Q212-K277 VanDerWaalsContact O-N 3.08Å; Y215-K277 HydrophobicContact CE2-CB 4.46Å; K277-E280 WeakPolarHBondContact CE-OE1 3.26Å; K277-E280 IonicContact NZ-OE1 2.64Å; K277-E280 PolarHBondContact NZ-OE1 2.81Å; K277-P311 HydrophobicContact CD-CB 4.23Å; K277-P311 HydrophobicContact CG-CB 4.32Å; K277-V312 WeakPolarHBondContact CA-O 3.39Å; K277-Y313 HydrophobicContact CB-CD1 3.95Å; K277-Y313 HydrophobicContact CB-CE1 3.59Å; K277-Y313 HydrophobicContact CG-CE1 4.2Å
278T88.3Confident77.5Confident40 Ų4059.4 Ų59.425%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-103.4-17.7-177.757.50000113.3L207 T259 T276 V312 Q314L207-T278 HydrophobicContact CD1-CG2 4.01Å; L207-T278 HydrophobicContact CD2-CG2 3.83Å; T259-T278 HydrophobicContact CG2-CG2 3.92Å; T276-T278 HydrophobicContact CG2-CG2 3.97Å; T278-V312 PolarHBondContact N-O 3.31Å; T278-V312 PolarHBondContact OG1-O 3.16Å; T278-Q314 HydrophobicContact CG2-CB 3.91Å; T278-Q314 HydrophobicContact CG2-CG 4.16Å
279G84.5Confident76.2Confident30 Ų3062 Ų6231%0.30931%0.311SS..EExtended strand (participates in β ladder)trans-179.7-171.2177.500000113.3P311 V312G279-P311 CarbonylContact O-C 3.59Å; G279-P311 WeakPolarHBondContact O-CA 3.44Å; G279-V312 PolarHBondContact O-N 2.97Å
280E82.7Confident74.7Confident129 Ų12964.1 Ų64.160%0.60333%0.33SS*.EExtended strand (participates in β ladder)trans-132.8137170.6-64.9-176.817600108.9K277 F310 P311K277-E280 WeakPolarHBondContact CE-OE1 3.26Å; K277-E280 IonicContact NZ-OE1 2.64Å; K277-E280 PolarHBondContact NZ-OE1 2.81Å; E280-F310 CarbonylContact C-O 3.59Å; E280-F310 WeakPolarHBondContact CA-O 3.34Å; E280-P311 HydrophobicContact CG-CB 4.36Å
281Y72.9Confident73.5Confident87 Ų8764.6 Ų64.634%0.34133%0.333SS..EExtended strand (participates in β ladder)trans-110.7133.5178.2-179.2-106.3000110M295 T309 F310Y281-M295 HydrophobicContact CD1-SD 4.43Å; Y281-M295 HydrophobicContact CD2-CE 3.61Å; Y281-M295 HydrophobicContact CD2-CG 4.18Å; Y281-M295 HydrophobicContact CD2-SD 3.54Å; Y281-M295 VanDerWaalsContact CD2-SD 3.54Å; Y281-M295 HydrophobicContact CE1-SD 4.24Å; Y281-M295 HydrophobicContact CE2-CE 3.27Å; Y281-M295 HydrophobicContact CE2-SD 3.33Å; Y281-M295 WeakPolarHBondContact CE2-SD 3.49Å; Y281-M295 HydrophobicContact CG-SD 4.09Å; Y281-T309 CarbonylContact O-C 3.48Å; Y281-T309 WeakPolarHBondContact O-CA 3.25Å; Y281-F310 PolarHBondContact N-O 3.38Å; Y281-F310 PolarHBondContact O-N 2.79Å
282S69.8Low72.5Confident92 Ų9266.7 Ų66.764%0.64335%0.348SS*.EExtended strand (participates in β ladder)trans-108.8113.3175.5-177.80000109.1
283G65.5Low71.6Confident19 Ų1968.2 Ų68.220%0.19636%0.357CS..SBendtrans176.1152.2179.100000114M285 G308 F310G283-M285 PolarHBondContact O-N 3.16Å; G283-G308 PolarHBondContact N-O 3.14Å; G283-G308 VanDerWaalsContact N-O 3.08Å; G283-F310 WeakPolarHBondContact O-CE2 3.14Å
284R58.6Low70.5Confident241 Ų24171.6 Ų71.691%0.90938%0.375SS*.  trans-73.4106.4172.8-157.7-173.1-71.2-170.2-0.5107.7Q286R284-Q286 PolarHBondContact O-N 3.03Å; R284-Q286 VanDerWaalsContact O-N 3.12Å
285M53.4Low69.6Low93 Ų9373.5 Ų73.546%0.45839%0.385SS..  trans-60.8109.9-176.4-164.6169.1163.500110G283 Y288 F310G283-M285 PolarHBondContact O-N 3.16Å; M285-Y288 HydrophobicContact CE-CD2 4.01Å; M285-Y288 HydrophobicContact CE-CG 4.39Å; M285-F310 HydrophobicContact CB-CE2 4.47Å
286Q53.5Low68.7Low178 Ų17874.1 Ų74.183%0.83239%0.387SS*.  trans-83.9-45.6-177.5-69.5-175.28.400111.8R284R284-Q286 PolarHBondContact O-N 3.03Å; R284-Q286 VanDerWaalsContact O-N 3.12Å
287T55Low68.2Low82 Ų8274.4 Ų74.450%0.50339%0.389SS..  trans-160142.9164.652.30000109.7D289 S290T287-D289 VanDerWaalsContact C-N 3.26Å; T287-D289 PolarHBondContact O-N 3.48Å; T287-S290 PolarHBondContact O-N 3.23Å; T287-S290 PolarHBondContact O-OG 3.48Å; T287-S290 WeakPolarHBondContact OG1-CB 3.22Å; T287-S290 PolarHBondContact OG1-OG 2.82Å
288Y54.9Low67.8Low68 Ų6874.2 Ų74.227%0.26739%0.392SS..G310 helixtrans-62-32.4-179.6177.3-101.7000113.1K267 M285 S290 L291 S297K267-Y288 VanDerWaalsContact NZ-CZ 3.35Å; K267-Y288 PolarHBondContact NZ-OH 3.18Å; M285-Y288 HydrophobicContact CE-CD2 4.01Å; M285-Y288 HydrophobicContact CE-CG 4.39Å; Y288-S290 VanDerWaalsContact C-N 3.32Å; Y288-S290 PolarHBondContact O-N 3.04Å; Y288-L291 HydrophobicContact CD2-CD1 3.91Å; Y288-L291 WeakPolarHBondContact O-CB 3.19Å; Y288-L291 PolarHBondContact O-N 3.28Å; Y288-S297 PolarHBondContact OH-O 2.88Å
289D57.4Low67.1Low122 Ų12272.4 Ų72.465%0.65238%0.381SS*.G310 helixtrans-70.3-26.4-179.5-66.4-34.1000113.6T287 L291T287-D289 VanDerWaalsContact C-N 3.26Å; T287-D289 PolarHBondContact O-N 3.48Å; D289-L291 VanDerWaalsContact C-N 3.33Å
290S58.5Low66.2Low77 Ų7774.3 Ų74.354%0.53838%0.384SS..G310 helixtrans-85.7-3.4178.161.30000113.8T287 Y288T287-S290 PolarHBondContact O-N 3.23Å; T287-S290 PolarHBondContact O-OG 3.48Å; T287-S290 WeakPolarHBondContact OG1-CB 3.22Å; T287-S290 PolarHBondContact OG1-OG 2.82Å; Y288-S290 VanDerWaalsContact C-N 3.32Å; Y288-S290 PolarHBondContact O-N 3.04Å
291L63.9Low65Low26 Ų2671 Ų7114%0.13637%0.366CS..SBendtrans-66.6135.5177.8-68.6174.5000110.8Y288 D289 M295 K296Y288-L291 HydrophobicContact CD2-CD1 3.91Å; Y288-L291 WeakPolarHBondContact O-CB 3.19Å; Y288-L291 PolarHBondContact O-N 3.28Å; D289-L291 VanDerWaalsContact C-N 3.33Å; L291-M295 HydrophobicContact CB-CB 4.14Å; L291-M295 HydrophobicContact CD2-CB 4.31Å; L291-M295 HydrophobicContact CD2-SD 4.29Å; L291-K296 WeakPolarHBondContact O-CE 3.33Å
292P69.3Low63.9Low66 Ų6671.2 Ų71.243%0.42938%0.38SS..  trans-60.8155.5169.725.3-30.4000110.4D294 M295 K296P292-D294 WeakPolarHBondContact CB-OD1 3.4Å; P292-D294 WeakPolarHBondContact CG-OD1 3.4Å; P292-D294 PolarHBondContact O-N 3.44Å; P292-D294 VanDerWaalsContact O-N 3.14Å; P292-M295 HydrophobicContact CG-CB 4.47Å; P292-M295 HydrophobicContact CG-CE 3.73Å; P292-M295 HydrophobicContact CG-CG 4Å; P292-M295 HydrophobicContact CG-SD 3.55Å; P292-M295 VanDerWaalsContact CG-SD 3.55Å; P292-M295 PolarHBondContact O-N 2.83Å; P292-K296 PolarHBondContact O-N 3.13Å
293V69.3Low62.8Low46 Ų4673.7 Ų73.728%0.27939%0.392SS..G310 helixtrans-58.7-32.1-167.4179.70000112.4W194 Y203 V261 M295 K296W194-V293 HydrophobicContact CE3-CG1 3.83Å; W194-V293 HydrophobicContact CH2-CG1 4.21Å; W194-V293 HydrophobicContact CZ3-CG1 3.58Å; Y203-V293 HydrophobicContact CD2-CG1 3.93Å; Y203-V293 HydrophobicContact CE2-CG1 4.31Å; Y203-V293 HydrophobicContact CE2-CG2 4.45Å; V261-V293 HydrophobicContact CG1-CG1 3.93Å; V293-M295 VanDerWaalsContact C-N 3.26Å; V293-M295 PolarHBondContact O-N 3.44Å; V293-K296 PolarHBondContact O-N 3.16Å
294D67.2Low61.8Low72 Ų7279.9 Ų79.939%0.38542%0.416SS..G310 helixtrans-64.8-25.4175.763-33.6000114.5W194 P292 Q314W194-D294 VanDerWaalsContact CH2-CA 3.5Å; W194-D294 HydrophobicContact CH2-CB 4.16Å; W194-D294 HydrophobicContact CZ2-CB 3.38Å; P292-D294 WeakPolarHBondContact CB-OD1 3.4Å; P292-D294 WeakPolarHBondContact CG-OD1 3.4Å; P292-D294 PolarHBondContact O-N 3.44Å; P292-D294 VanDerWaalsContact O-N 3.14Å; D294-Q314 PolarHBondContact O-NE2 3.43Å
295M68.8Low61.4Low40 Ų4070.6 Ų70.620%0.19739%0.388CS..G310 helixtrans-94.9-3.6178.8-61.1178.6-167.700113.1Y281 L291 P292 V293 S297Y281-M295 HydrophobicContact CD1-SD 4.43Å; Y281-M295 HydrophobicContact CD2-CE 3.61Å; Y281-M295 HydrophobicContact CD2-CG 4.18Å; Y281-M295 HydrophobicContact CD2-SD 3.54Å; Y281-M295 VanDerWaalsContact CD2-SD 3.54Å; Y281-M295 HydrophobicContact CE1-SD 4.24Å; Y281-M295 HydrophobicContact CE2-CE 3.27Å; Y281-M295 HydrophobicContact CE2-SD 3.33Å; Y281-M295 WeakPolarHBondContact CE2-SD 3.49Å; Y281-M295 HydrophobicContact CG-SD 4.09Å; L291-M295 HydrophobicContact CB-CB 4.14Å; L291-M295 HydrophobicContact CD2-CB 4.31Å; L291-M295 HydrophobicContact CD2-SD 4.29Å; P292-M295 HydrophobicContact CG-CB 4.47Å; P292-M295 HydrophobicContact CG-CE 3.73Å; P292-M295 HydrophobicContact CG-CG 4Å; P292-M295 HydrophobicContact CG-SD 3.55Å; P292-M295 VanDerWaalsContact CG-SD 3.55Å; P292-M295 PolarHBondContact O-N 2.83Å; V293-M295 VanDerWaalsContact C-N 3.26Å; V293-M295 PolarHBondContact O-N 3.44Å; M295-S297 PolarHBondContact O-N 3.48Å; M295-S297 VanDerWaalsContact O-N 3.09Å
296K72.9Confident61.3Low16 Ų1675.3 Ų75.37%0.0741%0.408CS..  trans-73.6106178.5-72.9-179.7174.3158.90110.1T264 L291 P292 V293T264-K296 PolarHBondContact OG1-NZ 2.98Å; L291-K296 WeakPolarHBondContact O-CE 3.33Å; P292-K296 PolarHBondContact O-N 3.13Å; V293-K296 PolarHBondContact O-N 3.16Å
297S78.5Confident61.6Low5 Ų570.7 Ų70.74%0.03540%0.395CS..  trans-80.1135.3168.4-176.80000110.3Y288 M295 A299 Y301 Y313Y288-S297 PolarHBondContact OH-O 2.88Å; M295-S297 PolarHBondContact O-N 3.48Å; M295-S297 VanDerWaalsContact O-N 3.09Å; S297-A299 VanDerWaalsContact C-N 3.32Å; S297-A299 PolarHBondContact OG-N 2.96Å; S297-A299 VanDerWaalsContact OG-N 3.17Å; S297-A299 PolarHBondContact OG-O 3.48Å; S297-Y301 PolarHBondContact OG-OH 3.26Å; S297-Y313 CarbonylContact C-O 3.52Å; S297-Y313 VanDerWaalsContact CA-O 3.26Å; S297-Y313 WeakPolarHBondContact CA-O 3.46Å; S297-Y313 PolarHBondContact OG-N 2.08Å
298C78.9Confident62.3Low29 Ų2968.4 Ų68.420%0.19639%0.389CS..SBendtrans-72.4-30.6166.976.40000111.8C60 D61 Y313C60-C298 WeakPolarHBondContact CA-O 3.35Å; C60-C298 HydrophobicContact CB-CB 3.74Å; C60-C298 WeakPolarHBondContact CB-O 3.35Å; C60-C298 WeakPolarHBondContact CB-SG 3.38Å; C60-C298 WeakPolarHBondContact SG-CB 3.38Å; C60-C298 CovalentContact SG-SG 2.08Å; C60-C298 PolarHBondContact SG-SG 3.32Å; D61-C298 PolarHBondContact N-O 3.34Å; C298-Y313 PolarHBondContact N-O 2.88Å
299A73.1Confident63.2Low2 Ų267.6 Ų67.62%0.01739%0.391CS..BIsolated β-bridgetrans-84.5129.5-177.500000110.7Y58 Q59 C60 F275 S297 Y313Y58-A299 HydrophobicContact CD1-CB 4.23Å; Y58-A299 HydrophobicContact CG-CB 4.44Å; Q59-A299 WeakPolarHBondContact O-CA 3.34Å; C60-A299 VanDerWaalsContact SG-CA 3.51Å; C60-A299 PolarHBondContact SG-N 3.27Å; F275-A299 HydrophobicContact CE2-CB 4.43Å; S297-A299 VanDerWaalsContact C-N 3.32Å; S297-A299 PolarHBondContact OG-N 2.96Å; S297-A299 VanDerWaalsContact OG-N 3.17Å; S297-A299 PolarHBondContact OG-O 3.48Å; A299-Y313 HydrophobicContact CB-CD2 3.75Å; A299-Y313 HydrophobicContact CB-CG 4.07Å
300N65.6Low64.1Low70 Ų7063.7 Ų63.737%0.37437%0.368SS..PPolyproline II helixtrans-72.8143.1171.2-91-12.3000111.1Q59 D61Q59-N300 PolarHBondContact O-N 3.44Å; D61-N300 PolarHBondContact OD1-ND2 3.35Å; D61-N300 PolarHBondContact OD2-ND2 2.69Å
301Y57.8Low65.2Low60 Ų6061.2 Ų61.224%0.23535%0.35CS..PPolyproline II helixtrans-97.9135.1171.8-62.9-67.7000109.5Y58 S297 T303 P311 Y313Y58-Y301 HydrophobicContact CD1-CE1 4.24Å; Y58-Y301 HydrophobicContact CE1-CD1 4.23Å; Y58-Y301 AromaticContact CE1-CE1 3.82Å; Y58-Y301 HydrophobicContact CE1-CE1 3.82Å; S297-Y301 PolarHBondContact OG-OH 3.26Å; Y301-T303 PolarHBondContact O-N 3.33Å; Y301-P311 HydrophobicContact CD1-CG 4.39Å; Y301-P311 HydrophobicContact CE1-CG 3.42Å; Y301-P311 VanDerWaalsContact CE1-CG 3.42Å; Y301-P311 PolarHBondContact OH-O 2.8Å; Y301-Y313 HydrophobicContact CE1-CD2 4.22Å; Y301-Y313 AromaticContact CE1-CE2 3.88Å; Y301-Y313 HydrophobicContact CE1-CE2 3.88Å; Y301-Y313 AromaticContact CZ-CD2 3.96Å; Y301-Y313 WeakPolarHBondContact OH-CD2 3.23Å; Y301-Y313 VanDerWaalsContact OH-CE2 3.26Å; Y301-Y313 WeakPolarHBondContact OH-CE2 3.47Å
302S50.7Low66.2Low91 Ų9160.4 Ų60.464%0.63635%0.346SS*.PPolyproline II helixtrans-60.7128.9155.850.70000107.4E304S302-E304 PolarHBondContact O-N 3.31Å
303T46.2Very low67.1Low144 Ų14457.5 Ų57.588%0.88333%0.327SS*.THydrogen-bonded Turntrans-60.410.4-176.943.50000115.4Y301Y301-T303 PolarHBondContact O-N 3.33Å
304E44.6Very low68.2Low150 Ų15055.4 Ų55.470%0.70131%0.314SS*.THydrogen-bonded Turntrans-904-174-64.1-176.8175.100114.4S302 H306S302-E304 PolarHBondContact O-N 3.31Å; E304-H306 PolarHBondContact O-N 3.48Å
305S50.4Low69.4Low45 Ų4552 Ų5232%0.31530%0.296SS..  trans-74.792.6175.362.30000111S307 F310S305-S307 PolarHBondContact O-N 3.08Å; S305-S307 VanDerWaalsContact O-N 3.15Å; S305-F310 WeakPolarHBondContact OG-CD1 3.4Å; S305-F310 WeakPolarHBondContact OG-CE1 3.34Å
306H52.1Low70.5Confident192 Ų19250.1 Ų50.189%0.88929%0.287SS*.THydrogen-bonded Turntrans-63.9-8.8172.1-64.1-60.8000114.2E304 G308E304-H306 PolarHBondContact O-N 3.48Å; H306-G308 PolarHBondContact O-N 2.86Å
307S59.7Low71.5Confident81 Ų8149.4 Ų49.457%0.56628%0.283SS*.THydrogen-bonded Turntrans-82.8-1.9-169.159.80000115.8S305 T309S305-S307 PolarHBondContact O-N 3.08Å; S305-S307 VanDerWaalsContact O-N 3.15Å; S307-T309 PolarHBondContact O-N 3.13Å; S307-T309 PolarHBondContact OG-OG1 3.24Å
308G68.4Low72.2Confident35 Ų3549.2 Ų49.236%0.36128%0.282SS..SBendtrans65-2.1-178.600000115.2G283 H306G283-G308 PolarHBondContact N-O 3.14Å; G283-G308 VanDerWaalsContact N-O 3.08Å; H306-G308 PolarHBondContact O-N 2.86Å
309T73.7Confident72.8Confident50 Ų5048 Ų4831%0.30727%0.274SS..EExtended strand (participates in β ladder)trans-111.6136.7175.153.30000110.4Y281 S307Y281-T309 CarbonylContact O-C 3.48Å; Y281-T309 WeakPolarHBondContact O-CA 3.25Å; S307-T309 PolarHBondContact O-N 3.13Å; S307-T309 PolarHBondContact OG-OG1 3.24Å
310F76.1Confident73.9Confident40 Ų4048 Ų4818%0.17527%0.273CS..EExtended strand (participates in β ladder)trans-127128-179.3-55.7-85.6000108.7E280 Y281 G283 M285 S305E280-F310 CarbonylContact C-O 3.59Å; E280-F310 WeakPolarHBondContact CA-O 3.34Å; Y281-F310 PolarHBondContact N-O 3.38Å; Y281-F310 PolarHBondContact O-N 2.79Å; G283-F310 WeakPolarHBondContact O-CE2 3.14Å; M285-F310 HydrophobicContact CB-CE2 4.47Å; S305-F310 WeakPolarHBondContact OG-CD1 3.4Å; S305-F310 WeakPolarHBondContact OG-CE1 3.34Å
311P82Confident75Confident25 Ų2546.3 Ų46.316%0.16227%0.265CS..EExtended strand (participates in β ladder)trans-64.4168.3170.926.9-28.7000110K277 G279 E280 Y301 Y313K277-P311 HydrophobicContact CD-CB 4.23Å; K277-P311 HydrophobicContact CG-CB 4.32Å; G279-P311 CarbonylContact O-C 3.59Å; G279-P311 WeakPolarHBondContact O-CA 3.44Å; E280-P311 HydrophobicContact CG-CB 4.36Å; Y301-P311 HydrophobicContact CD1-CG 4.39Å; Y301-P311 HydrophobicContact CE1-CG 3.42Å; Y301-P311 VanDerWaalsContact CE1-CG 3.42Å; Y301-P311 PolarHBondContact OH-O 2.8Å; P311-Y313 HydrophobicContact CB-CE2 3.97Å; P311-Y313 HydrophobicContact CG-CE2 3.82Å
312V85.5Confident76.7Confident10 Ų1043.6 Ų43.66%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-126.2124.3174.5179.20000108.1K277 T278 G279 Q314K277-V312 WeakPolarHBondContact CA-O 3.39Å; T278-V312 PolarHBondContact N-O 3.31Å; T278-V312 PolarHBondContact OG1-O 3.16Å; G279-V312 PolarHBondContact O-N 2.97Å; V312-Q314 HydrophobicContact CG1-CG 4.36Å
313Y88.3Confident78.6Confident5 Ų541.3 Ų41.32%0.0224%0.236CC..EExtended strand (participates in β ladder)trans-111.5130.8177-65.2-82000112.3Y58 Y215 F275 T276 K277 S297 C298 A299 Y301 P311Y58-Y313 HydrophobicContact CD1-CD2 4.1Å; Y58-Y313 AromaticContact CD1-CE2 3.51Å; Y58-Y313 HydrophobicContact CD1-CE2 3.51Å; Y58-Y313 AromaticContact CD1-CZ 4Å; Y58-Y313 HydrophobicContact CD2-CE2 4.41Å; Y58-Y313 HydrophobicContact CE1-CD2 4.39Å; Y58-Y313 AromaticContact CE1-CE2 3.42Å; Y58-Y313 HydrophobicContact CE1-CE2 3.42Å; Y58-Y313 VanDerWaalsContact CE1-CE2 3.42Å; Y58-Y313 AromaticContact CE1-CZ 3.79Å; Y58-Y313 HydrophobicContact CE2-CE2 4.3Å; Y58-Y313 AromaticContact CE2-CZ 3.82Å; Y58-Y313 VanDerWaalsContact CE2-OH 3.24Å; Y58-Y313 WeakPolarHBondContact CE2-OH 3.45Å; Y58-Y313 HydrophobicContact CG-CE2 4.04Å; Y58-Y313 AromaticContact CZ-CE2 3.82Å; Y58-Y313 AromaticContact CZ-CZ 3.67Å; Y58-Y313 PolarHBondContact OH-OH 2.84Å; Y215-Y313 HydrophobicContact CD2-CD1 4.38Å; Y215-Y313 HydrophobicContact CD2-CE1 4.23Å; Y215-Y313 HydrophobicContact CE1-CE1 4.48Å; Y215-Y313 HydrophobicContact CE2-CD1 4.3Å; Y215-Y313 AromaticContact CE2-CE1 3.82Å; Y215-Y313 HydrophobicContact CE2-CE1 3.82Å; Y215-Y313 AromaticContact CZ-CE1 3.99Å; F275-Y313 AromaticContact CD2-CD1 3.67Å; F275-Y313 HydrophobicContact CD2-CD1 3.67Å; F275-Y313 AromaticContact CD2-CG 3.97Å; F275-Y313 HydrophobicContact CD2-CG 3.97Å; F275-Y313 AromaticContact CE2-CD1 3.85Å; F275-Y313 HydrophobicContact CE2-CD1 3.85Å; F275-Y313 HydrophobicContact CE2-CE1 4.38Å; F275-Y313 HydrophobicContact CE2-CG 4.15Å; T276-Y313 CarbonylContact O-C 3.56Å; T276-Y313 VanDerWaalsContact O-CA 3.24Å; T276-Y313 WeakPolarHBondContact O-CA 3.49Å; K277-Y313 HydrophobicContact CB-CD1 3.95Å; K277-Y313 HydrophobicContact CB-CE1 3.59Å; K277-Y313 HydrophobicContact CG-CE1 4.2Å; S297-Y313 CarbonylContact C-O 3.52Å; S297-Y313 VanDerWaalsContact CA-O 3.26Å; S297-Y313 WeakPolarHBondContact CA-O 3.46Å; S297-Y313 PolarHBondContact OG-N 2.08Å; C298-Y313 PolarHBondContact N-O 2.88Å; A299-Y313 HydrophobicContact CB-CD2 3.75Å; A299-Y313 HydrophobicContact CB-CG 4.07Å; Y301-Y313 HydrophobicContact CE1-CD2 4.22Å; Y301-Y313 AromaticContact CE1-CE2 3.88Å; Y301-Y313 HydrophobicContact CE1-CE2 3.88Å; Y301-Y313 AromaticContact CZ-CD2 3.96Å; Y301-Y313 WeakPolarHBondContact OH-CD2 3.23Å; Y301-Y313 VanDerWaalsContact OH-CE2 3.26Å; Y301-Y313 WeakPolarHBondContact OH-CE2 3.47Å; P311-Y313 HydrophobicContact CB-CE2 3.97Å; P311-Y313 HydrophobicContact CG-CE2 3.82Å
314Q91.2Very high80.8Confident2 Ų239.1 Ų39.11%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-126.9153.7179-65.8172-11.100110.7H205 T259 V261 F275 T276 T278 D294 V312H205-Q314 PolarHBondContact ND1-OE1 2.87Å; T259-Q314 HydrophobicContact CG2-CB 3.97Å; T259-Q314 PolarHBondContact OG1-OE1 3.07Å; V261-Q314 HydrophobicContact CG2-CB 4.26Å; V261-Q314 HydrophobicContact CG2-CG 3.92Å; F275-Q314 CarbonylContact C-O 3.56Å; F275-Q314 WeakPolarHBondContact CA-O 3.36Å; F275-Q314 VanDerWaalsContact CB-O 3.22Å; F275-Q314 WeakPolarHBondContact CB-O 3.35Å; T276-Q314 PolarHBondContact N-O 2.67Å; T276-Q314 PolarHBondContact O-N 2.79Å; T278-Q314 HydrophobicContact CG2-CB 3.91Å; T278-Q314 HydrophobicContact CG2-CG 4.16Å; D294-Q314 PolarHBondContact O-NE2 3.43Å; V312-Q314 HydrophobicContact CG1-CG 4.36Å
315S92.4Very high83.1Confident1 Ų133.7 Ų33.71%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-76.7133.6-171.1-56.50000111.1T259 L260 T272 A274T259-S315 CarbonylContact C-O 3.46Å; T259-S315 VanDerWaalsContact CA-O 3.25Å; T259-S315 WeakPolarHBondContact CA-O 3.19Å; T259-S315 WeakPolarHBondContact CB-O 3.19Å; L260-S315 PolarHBondContact N-O 2.86Å; L260-S315 WeakPolarHBondContact O-CB 3.46Å; L260-S315 PolarHBondContact O-N 3.07Å; T272-S315 WeakPolarHBondContact CG2-OG 3.41Å; T272-S315 PolarHBondContact OG1-OG 3.34Å; A274-S315 CarbonylContact O-C 3.56Å; A274-S315 WeakPolarHBondContact O-CA 3.31Å
316L92.5Very high85.2Confident0 Ų033.4 Ų33.40%019%0.194CC..EExtended strand (participates in β ladder)trans-92.4-36.8169.6-75.1176.6000111.4F214 L236 T259 A274 T276 A333 F334F214-L316 HydrophobicContact CD2-CD1 3.43Å; F214-L316 VanDerWaalsContact CD2-CD1 3.43Å; F214-L316 HydrophobicContact CE2-CD1 3.59Å; F214-L316 HydrophobicContact CG-CD1 4.31Å; L236-L316 HydrophobicContact CD1-CD1 3.72Å; T259-L316 HydrophobicContact CG2-CD2 4.19Å; A274-L316 HydrophobicContact CB-CB 4.48Å; A274-L316 PolarHBondContact O-N 3.33Å; T276-L316 HydrophobicContact CG2-CD1 4.18Å; T276-L316 HydrophobicContact CG2-CD2 3.83Å; T276-L316 HydrophobicContact CG2-CG 3.8Å; L316-A333 VanDerWaalsContact O-CB 3.31Å; L316-A333 WeakPolarHBondContact O-CB 3.39Å; L316-A333 PolarHBondContact O-N 2.56Å; L316-F334 HydrophobicContact CB-CD1 4.31Å; L316-F334 HydrophobicContact CB-CE1 3.99Å; L316-F334 HydrophobicContact CD2-CD1 4.18Å
317V93.2Very high87.2Confident0 Ų024.4 Ų24.40%015%0.153CC..EExtended strand (participates in β ladder)trans-133.7128177.8-168.60000108.3I273 A274 V330 L331 F332 F334 L345I273-V317 HydrophobicContact CB-CB 4.14Å; I273-V317 HydrophobicContact CB-CG1 4.16Å; I273-V317 WeakPolarHBondContact CB-O 3.19Å; I273-V317 HydrophobicContact CD1-CG1 3.76Å; I273-V317 HydrophobicContact CG2-CB 4.45Å; I273-V317 HydrophobicContact CG2-CG1 4.36Å; I273-V317 PolarHBondContact N-O 3.48Å; A274-V317 HydrophobicContact CB-CB 4.13Å; A274-V317 HydrophobicContact CB-CG2 4.11Å; A274-V317 PolarHBondContact N-O 2.93Å; A274-V317 PolarHBondContact O-N 2.74Å; A274-V317 VanDerWaalsContact O-N 3.1Å; V317-V330 HydrophobicContact CG1-CG1 3.84Å; V317-L331 WeakPolarHBondContact CA-O 3.27Å; V317-F332 HydrophobicContact CB-CD1 4.38Å; V317-F332 HydrophobicContact CB-CE1 4.49Å; V317-F332 HydrophobicContact CG1-CD1 3.88Å; V317-F332 HydrophobicContact CG1-CD2 4.34Å; V317-F332 HydrophobicContact CG1-CE1 3.77Å; V317-F332 HydrophobicContact CG1-CE2 4.24Å; V317-F332 HydrophobicContact CG1-CG 4.17Å; V317-F332 HydrophobicContact CG1-CZ 3.95Å; V317-F332 HydrophobicContact CG2-CD1 3.53Å; V317-F332 HydrophobicContact CG2-CE1 3.8Å; V317-F332 HydrophobicContact CG2-CG 4.3Å; V317-F334 HydrophobicContact CG2-CE1 3.82Å; V317-F334 HydrophobicContact CG2-CZ 4.23Å; V317-L345 HydrophobicContact CG2-CD1 4.05Å
318L92.8Very high88.9Confident1 Ų122.4 Ų22.41%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-130.1129.2-172.2-164.574.7000109.8L202 L260 P262 Y270 V330 L331L202-L318 HydrophobicContact CD1-CD2 3.49Å; L202-L318 VanDerWaalsContact CD1-CD2 3.49Å; L202-L318 HydrophobicContact CD2-CD2 3.84Å; L202-L318 HydrophobicContact CG-CD2 4.35Å; L260-L318 HydrophobicContact CB-CB 4.47Å; L260-L318 HydrophobicContact CB-CD2 4.25Å; L260-L318 HydrophobicContact CD1-CB 3.73Å; L260-L318 HydrophobicContact CD1-CD2 4.46Å; P262-L318 HydrophobicContact CG-CD2 4.17Å; Y270-L318 HydrophobicContact CD1-CD2 3.43Å; Y270-L318 VanDerWaalsContact CD1-CD2 3.43Å; Y270-L318 HydrophobicContact CD1-CG 4.02Å; Y270-L318 HydrophobicContact CE1-CD2 4.19Å; Y270-L318 HydrophobicContact CG-CD2 3.65Å; Y270-L318 HydrophobicContact CG-CG 4.22Å; L318-V330 WeakPolarHBondContact O-CA 3.42Å; L318-L331 PolarHBondContact N-O 3.21Å; L318-L331 PolarHBondContact O-N 2.82Å
319E93.5Very high90.2Very high5 Ų520.8 Ų20.82%0.02312%0.117CC..EExtended strand (participates in β ladder)trans-83.6123.1165.8176.9-179.6-157.900108.3S221 I222 Y270 N271 I273 V321 Q328 R329 Y352S221-E319 PolarHBondContact OG-OE2 3.18Å; I222-E319 HydrophobicContact CD1-CB 4.2Å; I222-E319 HydrophobicContact CD1-CG 4.46Å; Y270-E319 CarbonylContact C-O 3.56Å; Y270-E319 WeakPolarHBondContact CA-O 3.33Å; N271-E319 HydrophobicContact CB-CB 4.16Å; N271-E319 PolarHBondContact N-O 3.39Å; N271-E319 PolarHBondContact ND2-OE2 3.09Å; N271-E319 PolarHBondContact O-N 2.86Å; I273-E319 HydrophobicContact CD1-CB 3.89Å; I273-E319 HydrophobicContact CG1-CB 4.2Å; E319-V321 HydrophobicContact CG-CG1 4.13Å; E319-Q328 PolarHBondContact OE1-NE2 3.4Å; E319-R329 CarbonylContact C-O 3.47Å; E319-R329 WeakPolarHBondContact CA-O 3.42Å; E319-Y352 WeakPolarHBondContact OE1-CE1 3.19Å; E319-Y352 VanDerWaalsContact OE1-CZ 3.23Å; E319-Y352 PolarHBondContact OE1-OH 2.78Å
320D94.2Very high91.3Very high0 Ų018.4 Ų18.40%010%0.103CC..EExtended strand (participates in β ladder)trans-89.4113.9160.7174.34.6000107.3Y270 G322 Q328 R329Y270-D320 HydrophobicContact CD1-CB 3.94Å; Y270-D320 HydrophobicContact CE1-CB 3.88Å; D320-G322 PolarHBondContact O-N 2.93Å; D320-G322 WeakPolarHBondContact OD1-CA 3.44Å; D320-G322 PolarHBondContact OD1-N 3.28Å; D320-Q328 CarbonylContact O-C 3.54Å; D320-Q328 WeakPolarHBondContact O-CA 3.45Å; D320-R329 HydrophobicContact CB-CB 3.93Å; D320-R329 HydrophobicContact CB-CG 4.2Å; D320-R329 PolarHBondContact N-O 2.95Å; D320-R329 PolarHBondContact O-N 3.32Å; D320-R329 IonicContact OD2-CZ 3.07Å; D320-R329 IonicContact OD2-NH1 2.86Å; D320-R329 PolarHBondContact OD2-NH1 3.01Å
321V90.7Very high92.3Very high36 Ų3616.5 Ų16.522%0.2189%0.094CC..  trans-74.7-5.1-178.3-67.10000112.7F68 F269 E319 L323F68-V321 HydrophobicContact CE1-CG2 4.33Å; F269-V321 WeakPolarHBondContact O-CG2 3.04Å; F269-V321 PolarHBondContact O-N 3.19Å; F269-V321 VanDerWaalsContact O-N 3.14Å; E319-V321 HydrophobicContact CG-CG1 4.13Å; V321-L323 HydrophobicContact CG2-CB 4.28Å; V321-L323 HydrophobicContact CG2-CD1 3.84Å; V321-L323 HydrophobicContact CG2-CG 3.63Å
322G92.6Very high93Very high3 Ų315.3 Ų15.33%0.0319%0.087CC..SBendtrans82.520.417900000114D320 F324 G326 I327D320-G322 PolarHBondContact O-N 2.93Å; D320-G322 WeakPolarHBondContact OD1-CA 3.44Å; D320-G322 PolarHBondContact OD1-N 3.28Å; G322-F324 PolarHBondContact O-N 3.24Å; G322-G326 WeakPolarHBondContact O-CA 3.48Å; G322-G326 PolarHBondContact O-N 2.97Å; G322-I327 WeakPolarHBondContact CA-O 3.24Å
323L91.2Very high93.4Very high43 Ų4314.8 Ų14.823%0.2258%0.084CC..THydrogen-bonded Turntrans-69.6-21.8178-75.5179.5000113.5F68 Y75 F269 V321F68-L323 HydrophobicContact CE1-CD1 3.91Å; Y75-L323 HydrophobicContact CE2-CD2 4.25Å; F269-L323 HydrophobicContact CB-CB 4.36Å; F269-L323 HydrophobicContact CD1-CB 3.41Å; F269-L323 VanDerWaalsContact CD1-CB 3.41Å; F269-L323 HydrophobicContact CD1-CD1 3.77Å; F269-L323 HydrophobicContact CD1-CG 4.25Å; F269-L323 HydrophobicContact CE1-CB 3.79Å; F269-L323 HydrophobicContact CE1-CD1 4.31Å; F269-L323 HydrophobicContact CG-CB 3.93Å; V321-L323 HydrophobicContact CG2-CB 4.28Å; V321-L323 HydrophobicContact CG2-CD1 3.84Å; V321-L323 HydrophobicContact CG2-CG 3.63Å
324F91.8Very high93.5Very high98 Ų9814.6 Ų14.643%0.438%0.083SC..THydrogen-bonded Turntrans-78.1-46.4179.4-178.7-110.7000112.6L200 P201 F269 G322L200-F324 HydrophobicContact CD2-CD1 4.22Å; P201-F324 HydrophobicContact CG-CD2 4.11Å; P201-F324 HydrophobicContact CG-CG 4.32Å; F269-F324 HydrophobicContact CD2-CB 3.9Å; F269-F324 HydrophobicContact CE2-CB 4.01Å; F269-F324 HydrophobicContact CE2-CD2 4.03Å; G322-F324 PolarHBondContact O-N 3.24Å
325D93.4Very high93.3Very high36 Ų3618 Ų1819%0.19310%0.096CC..THydrogen-bonded Turntrans-135.93.4-170.158.214.1000114.7K171 I327 R329K171-D325 WeakPolarHBondContact CD-O 3.41Å; D325-I327 PolarHBondContact OD1-N 2.95Å; D325-I327 VanDerWaalsContact OD1-N 3.13Å; D325-R329 IonicContact OD1-CZ 3.62Å; D325-R329 IonicContact OD1-NH1 2.79Å; D325-R329 PolarHBondContact OD1-NH1 3.5Å; D325-R329 IonicContact OD1-NH2 3.44Å; D325-R329 PolarHBondContact OD1-NH2 3.2Å; D325-R329 IonicContact OD2-CZ 3.41Å; D325-R329 VanDerWaalsContact OD2-CZ 3.28Å; D325-R329 IonicContact OD2-NH1 3.78Å; D325-R329 PolarHBondContact OD2-NH1 3.09Å; D325-R329 IonicContact OD2-NH2 2.83Å; D325-R329 PolarHBondContact OD2-NH2 2.75Å
326G93Very high92.9Very high39 Ų3918.3 Ų18.340%0.40210%0.098SC..SBendtrans85.46.917900000115.1G322G322-G326 WeakPolarHBondContact O-CA 3.48Å; G322-G326 PolarHBondContact O-N 2.97Å
327I95.1Very high92Very high3 Ų320.2 Ų20.22%0.01512%0.118CC..  trans-112.7120.2-176.8-59.5168.3000109.7D167 C170 K171 V177 G322 D325 R329D167-I327 HydrophobicContact CB-CD1 3.69Å; D167-I327 VanDerWaalsContact OD1-CD1 3.31Å; D167-I327 WeakPolarHBondContact OD1-CD1 3.47Å; C170-I327 HydrophobicContact CB-CD1 3.97Å; C170-I327 HydrophobicContact CB-CG1 4.04Å; C170-I327 HydrophobicContact CB-CG2 4.22Å; K171-I327 HydrophobicContact CG-CG1 3.89Å; V177-I327 HydrophobicContact CG2-CG2 3.82Å; G322-I327 WeakPolarHBondContact CA-O 3.24Å; D325-I327 PolarHBondContact OD1-N 2.95Å; D325-I327 VanDerWaalsContact OD1-N 3.13Å; I327-R329 HydrophobicContact CG2-CG 4.15Å; I327-R329 PolarHBondContact O-NH1 2.89Å; I327-R329 VanDerWaalsContact O-NH1 3.07Å
328Q95Very high91Very high39 Ų3921.6 Ų21.618%0.18213%0.131CC..  trans-78.6131.6176.4-169.5177.823.300110.6V177 E319 D320 Y352 L353V177-Q328 PolarHBondContact N-O 3.4Å; E319-Q328 PolarHBondContact OE1-NE2 3.4Å; D320-Q328 CarbonylContact O-C 3.54Å; D320-Q328 WeakPolarHBondContact O-CA 3.45Å; Q328-Y352 VanDerWaalsContact NE2-CE1 3.26Å; Q328-Y352 PolarHBondContact NE2-OH 3.11Å; Q328-Y352 VanDerWaalsContact NE2-OH 3.14Å; Q328-L353 HydrophobicContact CG-CD2 3.86Å
329R96.7Very high90.1Very high0 Ų022.3 Ų22.30%014%0.135CC..EExtended strand (participates in β ladder)trans-134.5154.3-179.3-34.6-178.6166.774.2-0.9112.5Y155 V177 E319 D320 D325 I327 L331Y155-R329 PolarHBondContact OH-NH2 3.08Å; V177-R329 HydrophobicContact CB-CB 4.27Å; V177-R329 HydrophobicContact CB-CG 4.06Å; V177-R329 CarbonylContact O-C 3.54Å; V177-R329 WeakPolarHBondContact O-CA 3.34Å; E319-R329 CarbonylContact C-O 3.47Å; E319-R329 WeakPolarHBondContact CA-O 3.42Å; D320-R329 HydrophobicContact CB-CB 3.93Å; D320-R329 HydrophobicContact CB-CG 4.2Å; D320-R329 PolarHBondContact N-O 2.95Å; D320-R329 PolarHBondContact O-N 3.32Å; D320-R329 IonicContact OD2-CZ 3.07Å; D320-R329 IonicContact OD2-NH1 2.86Å; D320-R329 PolarHBondContact OD2-NH1 3.01Å; D325-R329 IonicContact OD1-CZ 3.62Å; D325-R329 IonicContact OD1-NH1 2.79Å; D325-R329 PolarHBondContact OD1-NH1 3.5Å; D325-R329 IonicContact OD1-NH2 3.44Å; D325-R329 PolarHBondContact OD1-NH2 3.2Å; D325-R329 IonicContact OD2-CZ 3.41Å; D325-R329 VanDerWaalsContact OD2-CZ 3.28Å; D325-R329 IonicContact OD2-NH1 3.78Å; D325-R329 PolarHBondContact OD2-NH1 3.09Å; D325-R329 IonicContact OD2-NH2 2.83Å; D325-R329 PolarHBondContact OD2-NH2 2.75Å; I327-R329 HydrophobicContact CG2-CG 4.15Å; I327-R329 PolarHBondContact O-NH1 2.89Å; I327-R329 VanDerWaalsContact O-NH1 3.07Å; R329-L331 HydrophobicContact CB-CD2 4.33Å; R329-L331 HydrophobicContact CB-CG 4.47Å
330V96.6Very high89.1Confident0 Ų030.3 Ų30.30%017%0.165CC..EExtended strand (participates in β ladder)trans-123.2119.9162.8177.30000108.5V177 V178 G179 I222 I273 V317 L318 F332 T349 L353V177-V330 PolarHBondContact O-N 2.9Å; V178-V330 WeakPolarHBondContact CA-O 3.4Å; G179-V330 PolarHBondContact N-O 3.21Å; I222-V330 HydrophobicContact CD1-CG2 3.61Å; I273-V330 HydrophobicContact CD1-CG1 3.68Å; I273-V330 HydrophobicContact CD1-CG2 4.33Å; V317-V330 HydrophobicContact CG1-CG1 3.84Å; L318-V330 WeakPolarHBondContact O-CA 3.42Å; V330-F332 HydrophobicContact CG1-CD2 4.33Å; V330-F332 HydrophobicContact CG1-CE2 3.74Å; V330-F332 HydrophobicContact CG1-CZ 4.28Å; V330-T349 HydrophobicContact CB-CG2 3.61Å; V330-T349 HydrophobicContact CG1-CG2 3.85Å; V330-T349 HydrophobicContact CG2-CG2 3.79Å; V330-L353 HydrophobicContact CB-CD1 4.4Å; V330-L353 HydrophobicContact CG2-CD1 4.11Å; V330-L353 HydrophobicContact CG2-CD2 4.29Å; V330-L353 HydrophobicContact CG2-CG 4.31Å
331L97.1Very high88.3Confident0 Ų031.1 Ų31.10%017%0.17CC..EExtended strand (participates in β ladder)trans-109.4125.6-174.2-58.5179.2000110.1F152 G179 L181 L200 L202 L260 V317 L318 R329F152-L331 HydrophobicContact CD1-CD2 4.15Å; F152-L331 HydrophobicContact CD2-CD2 4.08Å; F152-L331 HydrophobicContact CE1-CD2 3.94Å; F152-L331 HydrophobicContact CE2-CD2 3.87Å; F152-L331 HydrophobicContact CG-CD2 4.2Å; F152-L331 HydrophobicContact CZ-CD2 3.79Å; G179-L331 WeakPolarHBondContact O-CA 3.39Å; L181-L331 HydrophobicContact CD1-CB 4.42Å; L200-L331 HydrophobicContact CD1-CD1 4.38Å; L202-L331 HydrophobicContact CD2-CD1 3.65Å; L260-L331 HydrophobicContact CD1-CB 3.88Å; V317-L331 WeakPolarHBondContact CA-O 3.27Å; L318-L331 PolarHBondContact N-O 3.21Å; L318-L331 PolarHBondContact O-N 2.82Å; R329-L331 HydrophobicContact CB-CD2 4.33Å; R329-L331 HydrophobicContact CB-CG 4.47Å
332F95.8Very high87.7Confident0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-101.7120.4173.1-68-101000108.3V178 G179 F180 L181 V317 V330 F334 L345V178-F332 HydrophobicContact CG1-CD2 4.09Å; V178-F332 HydrophobicContact CG1-CE2 3.89Å; G179-F332 PolarHBondContact O-N 3.04Å; F180-F332 HydrophobicContact CD1-CB 3.42Å; F180-F332 VanDerWaalsContact CD1-CB 3.42Å; F180-F332 HydrophobicContact CD1-CD2 4.16Å; F180-F332 AromaticContact CD1-CG 3.84Å; F180-F332 HydrophobicContact CD1-CG 3.84Å; F180-F332 HydrophobicContact CE1-CB 3.64Å; F180-F332 AromaticContact CE1-CD1 3.98Å; F180-F332 HydrophobicContact CE1-CD1 3.98Å; F180-F332 AromaticContact CE1-CD2 3.68Å; F180-F332 HydrophobicContact CE1-CD2 3.68Å; F180-F332 HydrophobicContact CE1-CE2 4.33Å; F180-F332 AromaticContact CE1-CG 3.49Å; F180-F332 HydrophobicContact CE1-CG 3.49Å; F180-F332 VanDerWaalsContact CE1-CG 3.49Å; F180-F332 HydrophobicContact CG-CB 4.33Å; F180-F332 HydrophobicContact CZ-CD2 4Å; F180-F332 HydrophobicContact CZ-CE2 4.33Å; F180-F332 HydrophobicContact CZ-CG 4.26Å; L181-F332 PolarHBondContact N-O 3.44Å; V317-F332 HydrophobicContact CB-CD1 4.38Å; V317-F332 HydrophobicContact CB-CE1 4.49Å; V317-F332 HydrophobicContact CG1-CD1 3.88Å; V317-F332 HydrophobicContact CG1-CD2 4.34Å; V317-F332 HydrophobicContact CG1-CE1 3.77Å; V317-F332 HydrophobicContact CG1-CE2 4.24Å; V317-F332 HydrophobicContact CG1-CG 4.17Å; V317-F332 HydrophobicContact CG1-CZ 3.95Å; V317-F332 HydrophobicContact CG2-CD1 3.53Å; V317-F332 HydrophobicContact CG2-CE1 3.8Å; V317-F332 HydrophobicContact CG2-CG 4.3Å; V330-F332 HydrophobicContact CG1-CD2 4.33Å; V330-F332 HydrophobicContact CG1-CE2 3.74Å; V330-F332 HydrophobicContact CG1-CZ 4.28Å; F332-F334 HydrophobicContact CD1-CE1 4.44Å; F332-F334 HydrophobicContact CD1-CZ 4.14Å; F332-F334 PolarHBondContact O-N 3.43Å; F332-L345 HydrophobicContact CE1-CB 3.88Å; F332-L345 HydrophobicContact CZ-CB 4.17Å
333A94.5Very high87.2Confident0 Ų031 Ų310%017%0.169CC..SBendtrans-64.9-25.5-178.900000113D183 A258 L260 L316D183-A333 WeakPolarHBondContact CA-O 3.26Å; D183-A333 PolarHBondContact N-O 3.39Å; A258-A333 HydrophobicContact CB-CB 4.43Å; A258-A333 WeakPolarHBondContact O-CB 2.98Å; L260-A333 HydrophobicContact CD1-CB 4.33Å; L260-A333 HydrophobicContact CG-CB 3.98Å; L316-A333 VanDerWaalsContact O-CB 3.31Å; L316-A333 WeakPolarHBondContact O-CB 3.39Å; L316-A333 PolarHBondContact O-N 2.56Å
334F89.9Confident86.9Confident1 Ų131.1 Ų31.10%0.00417%0.17CC..SBendtrans-118.5169.2-169.559.7-86.3000112D183 F214 M257 L316 V317 F332 I339D183-F334 WeakPolarHBondContact OD1-CA 3.24Å; D183-F334 WeakPolarHBondContact OD1-CB 3.46Å; F214-F334 HydrophobicContact CE2-CE1 4.44Å; F214-F334 HydrophobicContact CE2-CZ 4.3Å; M257-F334 HydrophobicContact CE-CB 3.99Å; M257-F334 HydrophobicContact CE-CG 4.17Å; L316-F334 HydrophobicContact CB-CD1 4.31Å; L316-F334 HydrophobicContact CB-CE1 3.99Å; L316-F334 HydrophobicContact CD2-CD1 4.18Å; V317-F334 HydrophobicContact CG2-CE1 3.82Å; V317-F334 HydrophobicContact CG2-CZ 4.23Å; F332-F334 HydrophobicContact CD1-CE1 4.44Å; F332-F334 HydrophobicContact CD1-CZ 4.14Å; F332-F334 PolarHBondContact O-N 3.43Å; F334-I339 HydrophobicContact CE2-CD1 4.4Å
335R87.9Confident86.6Confident72 Ų7226.5 Ų26.527%0.27215%0.15SC..  trans-68.9140179.3-172.9173.2-65.3162.55.3112.7T103 L182 E185T103-R335 HydrophobicContact CG2-CG 4.23Å; L182-R335 HydrophobicContact CD2-CB 4.07Å; L182-R335 HydrophobicContact CD2-CG 3.88Å; E185-R335 IonicContact OE1-NH2 3.79Å; E185-R335 PolarHBondContact OE1-NH2 3.49Å; E185-R335 IonicContact OE2-NH2 2.67Å; E185-R335 PolarHBondContact OE2-NH2 3.18Å
336P82.5Confident86.5Confident9 Ų924.8 Ų24.86%0.05814%0.141CC..THydrogen-bonded Turntrans-65.4144.9175.527.3-33.5000111.3T103 Y106 L107 F180 G338T103-P336 HydrophobicContact CG2-CG 3.25Å; Y106-P336 HydrophobicContact CD1-CB 3.87Å; Y106-P336 HydrophobicContact CD1-CG 4.47Å; Y106-P336 HydrophobicContact CE1-CB 3.76Å; L107-P336 HydrophobicContact CD1-CG 4.47Å; L107-P336 HydrophobicContact CD2-CB 4.03Å; L107-P336 HydrophobicContact CD2-CG 4.06Å; L107-P336 HydrophobicContact CG-CG 4.21Å; F180-P336 HydrophobicContact CD1-CB 3.99Å; F180-P336 VanDerWaalsContact CD1-CD 3.48Å; F180-P336 HydrophobicContact CD1-CG 3.96Å; F180-P336 HydrophobicContact CD2-CG 4.39Å; F180-P336 HydrophobicContact CE1-CB 3.57Å; F180-P336 HydrophobicContact CE1-CG 4.01Å; F180-P336 HydrophobicContact CE2-CB 4.49Å; F180-P336 HydrophobicContact CE2-CG 4.43Å; F180-P336 HydrophobicContact CG-CG 4.16Å; F180-P336 HydrophobicContact CZ-CB 3.85Å; F180-P336 HydrophobicContact CZ-CG 4.24Å; P336-G338 VanDerWaalsContact C-N 3.31Å; P336-G338 PolarHBondContact O-N 3.4Å
337G75.5Confident86.2Confident40 Ų4025.3 Ų25.341%0.41213%0.134SC..THydrogen-bonded Turntrans85.6-8.9179.300000115.1Y106 I339 S342Y106-G337 VanDerWaalsContact CZ-CA 3.42Å; G337-I339 VanDerWaalsContact C-N 3.31Å; G337-I339 PolarHBondContact O-N 2.91Å; G337-S342 PolarHBondContact N-OG 3.02Å
338G70.9Confident85.8Confident28 Ų2825.6 Ų25.629%0.28914%0.136SC..SBendtrans-71.4-22.8175.200000114.3P336P336-G338 VanDerWaalsContact C-N 3.31Å; P336-G338 PolarHBondContact O-N 3.4Å
339I73.7Confident85.6Confident17 Ų1723.8 Ų23.89%0.08713%0.127CC..SBendtrans-136.1128177-59.8171.9000107.5F214 L236 M257 F334 G337 L341 S342F214-I339 HydrophobicContact CD2-CD1 3.99Å; F214-I339 HydrophobicContact CD2-CG2 4.4Å; F214-I339 HydrophobicContact CE2-CD1 4.29Å; L236-I339 HydrophobicContact CD1-CD1 4.1Å; L236-I339 HydrophobicContact CD2-CD1 4.15Å; L236-I339 HydrophobicContact CG-CD1 4.49Å; M257-I339 HydrophobicContact CE-CD1 3.82Å; F334-I339 HydrophobicContact CE2-CD1 4.4Å; G337-I339 VanDerWaalsContact C-N 3.31Å; G337-I339 PolarHBondContact O-N 2.91Å; I339-L341 HydrophobicContact CG2-CB 4.07Å; I339-L341 HydrophobicContact CG2-CD1 4.01Å; I339-L341 PolarHBondContact O-N 2.92Å; I339-S342 WeakPolarHBondContact O-CA 3.4Å; I339-S342 WeakPolarHBondContact O-CB 3.29Å; I339-S342 PolarHBondContact O-N 3.24Å; I339-S342 PolarHBondContact O-OG 3.26Å
340W72.3Confident85.4Confident173 Ų17323.8 Ų23.866%0.65513%0.127SC*.Hα-helixtrans-59.2-31.7-178.370.7-93000113.6S342 S343 I344W340-S342 PolarHBondContact O-N 3Å; W340-S343 WeakPolarHBondContact O-CB 3.39Å; W340-S343 PolarHBondContact O-N 2.94Å; W340-S343 PolarHBondContact O-OG 3.07Å; W340-S343 VanDerWaalsContact O-OG 3.07Å; W340-I344 HydrophobicContact CE3-CD1 3.88Å; W340-I344 HydrophobicContact CZ3-CD1 3.48Å; W340-I344 VanDerWaalsContact CZ3-CD1 3.48Å
341L77.6Confident84.9Confident17 Ų1724.3 Ų24.39%0.08913%0.13CC..Hα-helixtrans-59.3-27.9172.9-74.698.9000112.2F214 I339 S343 I344 L345F214-L341 HydrophobicContact CD1-CD2 3.85Å; F214-L341 HydrophobicContact CE1-CB 4.23Å; F214-L341 HydrophobicContact CE1-CD2 3.98Å; F214-L341 HydrophobicContact CZ-CB 4.41Å; I339-L341 HydrophobicContact CG2-CB 4.07Å; I339-L341 HydrophobicContact CG2-CD1 4.01Å; I339-L341 PolarHBondContact O-N 2.92Å; L341-S343 VanDerWaalsContact C-N 3.27Å; L341-S343 PolarHBondContact O-N 3.22Å; L341-I344 PolarHBondContact O-N 3.15Å; L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 WeakPolarHBondContact O-CG 3.4Å; L341-L345 PolarHBondContact O-N 3.38Å
342S79.1Confident84.4Confident3 Ų326.4 Ų26.42%0.02114%0.139CC..Hα-helixtrans-63.5-32.7176.376.90000112.8G337 I339 W340 L346G337-S342 PolarHBondContact N-OG 3.02Å; I339-S342 WeakPolarHBondContact O-CA 3.4Å; I339-S342 WeakPolarHBondContact O-CB 3.29Å; I339-S342 PolarHBondContact O-N 3.24Å; I339-S342 PolarHBondContact O-OG 3.26Å; W340-S342 PolarHBondContact O-N 3Å; S342-L346 WeakPolarHBondContact O-CB 3.37Å; S342-L346 PolarHBondContact O-N 2.95Å
343S82.7Confident84.2Confident32 Ų3226.6 Ų26.622%0.22414%0.14CC..Hα-helixtrans-62.3-49175.3-34.80000110Y106 W340 L341 L346 L347Y106-S343 VanDerWaalsContact OH-CB 3.29Å; Y106-S343 WeakPolarHBondContact OH-CB 3.34Å; Y106-S343 PolarHBondContact OH-OG 2.98Å; W340-S343 WeakPolarHBondContact O-CB 3.39Å; W340-S343 PolarHBondContact O-N 2.94Å; W340-S343 PolarHBondContact O-OG 3.07Å; W340-S343 VanDerWaalsContact O-OG 3.07Å; L341-S343 VanDerWaalsContact C-N 3.27Å; L341-S343 PolarHBondContact O-N 3.22Å; S343-L346 PolarHBondContact O-N 3.11Å; S343-L347 WeakPolarHBondContact O-CG 3Å; S343-L347 PolarHBondContact O-N 3.21Å
344I83.1Confident83.9Confident47 Ų4726.8 Ų26.824%0.24114%0.141CC..Hα-helixtrans-68.8-39.8-178.6-53.8-175.4000110.8A225 T226 W340 L341 L346 L347 D348A225-I344 HydrophobicContact CB-CG2 3.54Å; T226-I344 HydrophobicContact CG2-CB 3.67Å; T226-I344 HydrophobicContact CG2-CG2 3.41Å; T226-I344 VanDerWaalsContact CG2-CG2 3.41Å; W340-I344 HydrophobicContact CE3-CD1 3.88Å; W340-I344 HydrophobicContact CZ3-CD1 3.48Å; W340-I344 VanDerWaalsContact CZ3-CD1 3.48Å; L341-I344 PolarHBondContact O-N 3.15Å; I344-L346 VanDerWaalsContact C-N 3.31Å; I344-L346 PolarHBondContact O-N 2.87Å; I344-L347 WeakPolarHBondContact O-CB 3.1Å; I344-L347 PolarHBondContact O-N 2.89Å; I344-D348 PolarHBondContact O-N 2.77Å
345L87.2Confident83.6Confident0 Ų031.5 Ų31.50%016%0.161CC..Hα-helixtrans-62.2-38.9174.3-73.9176.5000112.4F214 L223 T226 I273 A274 V317 F332 L341 D348 T349F214-L345 HydrophobicContact CE1-CD1 4.02Å; F214-L345 HydrophobicContact CZ-CD1 3.52Å; L223-L345 HydrophobicContact CD2-CD2 3.15Å; T226-L345 HydrophobicContact CG2-CD2 3.58Å; T226-L345 HydrophobicContact CG2-CG 3.76Å; I273-L345 HydrophobicContact CG2-CD2 4.07Å; A274-L345 HydrophobicContact CB-CD1 4.32Å; V317-L345 HydrophobicContact CG2-CD1 4.05Å; F332-L345 HydrophobicContact CE1-CB 3.88Å; F332-L345 HydrophobicContact CZ-CB 4.17Å; L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 WeakPolarHBondContact O-CG 3.4Å; L341-L345 PolarHBondContact O-N 3.38Å; L345-D348 PolarHBondContact O-N 2.93Å; L345-T349 VanDerWaalsContact O-CB 3.22Å; L345-T349 WeakPolarHBondContact O-CB 3.45Å; L345-T349 PolarHBondContact O-N 3.24Å; L345-T349 PolarHBondContact O-OG1 2.76Å
346L89.8Confident83.1Confident1 Ų129.5 Ų29.51%0.00516%0.163CC..Hα-helixtrans-64.6-42.2175.6178.659.6000111.2L107 I110 V178 F180 S342 S343 I344 T349 I350L107-L346 HydrophobicContact CD2-CD2 3.52Å; I110-L346 HydrophobicContact CD1-CD2 3.92Å; I110-L346 HydrophobicContact CG2-CD2 4.29Å; V178-L346 HydrophobicContact CG1-CD1 4.11Å; F180-L346 HydrophobicContact CZ-CD1 4.09Å; F180-L346 HydrophobicContact CZ-CD2 4.27Å; S342-L346 WeakPolarHBondContact O-CB 3.37Å; S342-L346 PolarHBondContact O-N 2.95Å; S343-L346 PolarHBondContact O-N 3.11Å; I344-L346 VanDerWaalsContact C-N 3.31Å; I344-L346 PolarHBondContact O-N 2.87Å; L346-T349 WeakPolarHBondContact O-CB 3.39Å; L346-T349 PolarHBondContact O-N 2.62Å; L346-I350 HydrophobicContact CD1-CD1 4.18Å; L346-I350 HydrophobicContact CD1-CG1 4.3Å; L346-I350 HydrophobicContact CG-CD1 4.08Å; L346-I350 WeakPolarHBondContact O-CG1 3.34Å; L346-I350 PolarHBondContact O-N 2.96Å
347L87.5Confident83Confident50 Ų5032.4 Ų32.426%0.26218%0.177SC..Hα-helixtrans-58.6-52174.3-67.5178.2000111.6I110 L114 S343 I344 T349 I350 V351I110-L347 HydrophobicContact CG2-CD2 3.55Å; I110-L347 HydrophobicContact CG2-CG 4.32Å; L114-L347 HydrophobicContact CD1-CD2 3.27Å; L114-L347 HydrophobicContact CD2-CD2 3.79Å; L114-L347 HydrophobicContact CG-CD2 3.67Å; S343-L347 WeakPolarHBondContact O-CG 3Å; S343-L347 PolarHBondContact O-N 3.21Å; I344-L347 WeakPolarHBondContact O-CB 3.1Å; I344-L347 PolarHBondContact O-N 2.89Å; L347-T349 VanDerWaalsContact C-N 3.26Å; L347-T349 PolarHBondContact O-N 3.21Å; L347-I350 PolarHBondContact O-N 3.13Å; L347-V351 WeakPolarHBondContact O-CG2 3.38Å; L347-V351 PolarHBondContact O-N 2.99Å
348D86.7Confident83.4Confident9 Ų931.1 Ų31.15%0.04816%0.161CC..Hα-helixtrans-57.8-41.5177-83.3-19.2000110.7I222 R224 A225 T226 I344 L345 V351 Y352I222-D348 HydrophobicContact CG2-CB 3.73Å; I222-D348 WeakPolarHBondContact O-CB 3.49Å; R224-D348 PolarHBondContact N-OD2 3Å; R224-D348 VanDerWaalsContact N-OD2 3.14Å; A225-D348 WeakPolarHBondContact CB-OD1 3.21Å; A225-D348 PolarHBondContact N-OD1 2.87Å; A225-D348 PolarHBondContact N-OD2 3.4Å; T226-D348 PolarHBondContact N-OD2 2.68Å; T226-D348 VanDerWaalsContact N-OD2 3.17Å; T226-D348 PolarHBondContact OG1-OD2 3.04Å; I344-D348 PolarHBondContact O-N 2.77Å; L345-D348 PolarHBondContact O-N 2.93Å; D348-V351 PolarHBondContact O-N 2.94Å; D348-Y352 WeakPolarHBondContact O-CB 3.06Å; D348-Y352 PolarHBondContact O-N 3.17Å
349T91.5Very high83.6Confident0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-62.4-43.9177.7-63.50000112V178 V330 L345 L346 L347 Y352 L353V178-T349 HydrophobicContact CG2-CG2 3.65Å; V330-T349 HydrophobicContact CB-CG2 3.61Å; V330-T349 HydrophobicContact CG1-CG2 3.85Å; V330-T349 HydrophobicContact CG2-CG2 3.79Å; L345-T349 VanDerWaalsContact O-CB 3.22Å; L345-T349 WeakPolarHBondContact O-CB 3.45Å; L345-T349 PolarHBondContact O-N 3.24Å; L345-T349 PolarHBondContact O-OG1 2.76Å; L346-T349 WeakPolarHBondContact O-CB 3.39Å; L346-T349 PolarHBondContact O-N 2.62Å; L347-T349 VanDerWaalsContact C-N 3.26Å; L347-T349 PolarHBondContact O-N 3.21Å; T349-Y352 PolarHBondContact O-N 2.83Å; T349-L353 HydrophobicContact CG2-CD1 3.72Å; T349-L353 HydrophobicContact CG2-CG 4.19Å; T349-L353 WeakPolarHBondContact O-CB 3.09Å; T349-L353 WeakPolarHBondContact O-CG 3.5Å; T349-L353 PolarHBondContact O-N 3.21Å
350I91.1Very high83.3Confident0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-63-45.7177.8-72.3166.9000110.5I92 I111 L114 I116 I146 I148 L346 L347 Y352 S354 F358I92-I350 HydrophobicContact CD1-CG2 3.86Å; I111-I350 HydrophobicContact CG1-CD1 4.42Å; L114-I350 HydrophobicContact CD1-CD1 4.22Å; L114-I350 HydrophobicContact CD1-CG2 4.4Å; I116-I350 HydrophobicContact CD1-CG2 3.73Å; I146-I350 HydrophobicContact CD1-CB 4.32Å; I146-I350 HydrophobicContact CD1-CG2 4.1Å; I146-I350 WeakPolarHBondContact CD1-O 3.08Å; I148-I350 HydrophobicContact CD1-CD1 4.49Å; L346-I350 HydrophobicContact CD1-CD1 4.18Å; L346-I350 HydrophobicContact CD1-CG1 4.3Å; L346-I350 HydrophobicContact CG-CD1 4.08Å; L346-I350 WeakPolarHBondContact O-CG1 3.34Å; L346-I350 PolarHBondContact O-N 2.96Å; L347-I350 PolarHBondContact O-N 3.13Å; I350-Y352 VanDerWaalsContact C-N 3.34Å; I350-Y352 PolarHBondContact O-N 2.87Å; I350-S354 WeakPolarHBondContact O-CB 3.21Å; I350-S354 PolarHBondContact O-N 2.69Å; I350-S354 PolarHBondContact O-OG 3.1Å; I350-F358 HydrophobicContact CG2-CB 4.19Å; I350-F358 HydrophobicContact CG2-CD2 3.97Å; I350-F358 HydrophobicContact CG2-CG 4.49Å
351V86.4Confident82.8Confident11 Ų1133.2 Ų33.27%0.06719%0.189CC..Hα-helixtrans-63.8-42.4177.5174.60000111L347 D348 S354 G356 A360L347-V351 WeakPolarHBondContact O-CG2 3.38Å; L347-V351 PolarHBondContact O-N 2.99Å; D348-V351 PolarHBondContact O-N 2.94Å; V351-S354 PolarHBondContact O-OG 2.64Å; V351-G356 PolarHBondContact O-N 2.79Å; V351-A360 HydrophobicContact CG2-CB 4.11Å
352Y87.8Confident81.8Confident45 Ų4534 Ų3418%0.17620%0.195CC..Hα-helixtrans-65.7-55.2179.8175.5-104.3000112.7S221 I222 E319 Q328 D348 T349 I350 S354 K355S221-Y352 PolarHBondContact OG-OH 3.03Å; I222-Y352 HydrophobicContact CB-CG 4.32Å; I222-Y352 HydrophobicContact CD1-CD1 3.86Å; I222-Y352 HydrophobicContact CD1-CE1 3.95Å; I222-Y352 HydrophobicContact CD1-CG 4.49Å; I222-Y352 HydrophobicContact CG1-CD1 3.24Å; I222-Y352 HydrophobicContact CG1-CD2 3.96Å; I222-Y352 HydrophobicContact CG1-CE1 3.58Å; I222-Y352 HydrophobicContact CG1-CE2 4.29Å; I222-Y352 HydrophobicContact CG1-CG 3.41Å; I222-Y352 VanDerWaalsContact CG1-CG 3.41Å; E319-Y352 WeakPolarHBondContact OE1-CE1 3.19Å; E319-Y352 VanDerWaalsContact OE1-CZ 3.23Å; E319-Y352 PolarHBondContact OE1-OH 2.78Å; Q328-Y352 VanDerWaalsContact NE2-CE1 3.26Å; Q328-Y352 PolarHBondContact NE2-OH 3.11Å; Q328-Y352 VanDerWaalsContact NE2-OH 3.14Å; D348-Y352 WeakPolarHBondContact O-CB 3.06Å; D348-Y352 PolarHBondContact O-N 3.17Å; T349-Y352 PolarHBondContact O-N 2.83Å; I350-Y352 VanDerWaalsContact C-N 3.34Å; I350-Y352 PolarHBondContact O-N 2.87Å; Y352-S354 VanDerWaalsContact C-N 3.27Å; Y352-S354 PolarHBondContact O-N 2.94Å; Y352-K355 PolarHBondContact O-N 2.88Å
353L91.4Very high80.7Confident4 Ų436.8 Ų36.82%0.02121%0.213CC..Hα-helixtrans-68-26.8-177.6-70.3179.9000112.6I146 V178 Q328 V330 T349 K355I146-L353 HydrophobicContact CD1-CB 3.93Å; I146-L353 HydrophobicContact CG1-CB 4.17Å; V178-L353 HydrophobicContact CG2-CD1 3.57Å; Q328-L353 HydrophobicContact CG-CD2 3.86Å; V330-L353 HydrophobicContact CB-CD1 4.4Å; V330-L353 HydrophobicContact CG2-CD1 4.11Å; V330-L353 HydrophobicContact CG2-CD2 4.29Å; V330-L353 HydrophobicContact CG2-CG 4.31Å; T349-L353 HydrophobicContact CG2-CD1 3.72Å; T349-L353 HydrophobicContact CG2-CG 4.19Å; T349-L353 WeakPolarHBondContact O-CB 3.09Å; T349-L353 WeakPolarHBondContact O-CG 3.5Å; T349-L353 PolarHBondContact O-N 3.21Å; L353-K355 PolarHBondContact O-N 3.36Å
354S88Confident79.2Confident3 Ų341.5 Ų41.52%0.02125%0.246CC..THydrogen-bonded Turntrans-75.6-1.817269.70000113.6I350 V351 Y352 G356 I357 F358I350-S354 WeakPolarHBondContact O-CB 3.21Å; I350-S354 PolarHBondContact O-N 2.69Å; I350-S354 PolarHBondContact O-OG 3.1Å; V351-S354 PolarHBondContact O-OG 2.64Å; Y352-S354 VanDerWaalsContact C-N 3.27Å; Y352-S354 PolarHBondContact O-N 2.94Å; S354-G356 PolarHBondContact O-N 2.88Å; S354-I357 VanDerWaalsContact O-CB 3.28Å; S354-I357 WeakPolarHBondContact O-CB 3.3Å; S354-I357 WeakPolarHBondContact O-CD1 3.47Å; S354-I357 WeakPolarHBondContact O-CG1 3.12Å; S354-I357 PolarHBondContact O-N 2.82Å; S354-F358 PolarHBondContact OG-N 3.14Å; S354-F358 VanDerWaalsContact OG-N 3.11Å
355K83.7Confident77.7Confident100 Ų10043.6 Ų43.644%0.43527%0.265SS..THydrogen-bonded Turntrans55.935.9-179.4-57.6-176.4171-178.60112.5N174 Y352 L353 I357N174-K355 WeakPolarHBondContact ND2-CE 3.38Å; N174-K355 PolarHBondContact ND2-NZ 2.86Å; N174-K355 PolarHBondContact OD1-NZ 2.86Å; Y352-K355 PolarHBondContact O-N 2.88Å; L353-K355 PolarHBondContact O-N 3.36Å; K355-I357 VanDerWaalsContact C-N 3.34Å
356G76.7Confident75.9Confident31 Ų3148.3 Ų48.332%0.3229%0.287SS..THydrogen-bonded Turntrans81.16-179.500000115.3V351 S354 H359V351-G356 PolarHBondContact O-N 2.79Å; S354-G356 PolarHBondContact O-N 2.88Å; G356-H359 PolarHBondContact O-NE2 3.1Å
357I81.1Confident73.8Confident69 Ų6954 Ų5435%0.35432%0.324SS..SBendtrans-68.2-40.2173.2-64.9171.1000110.6R145 S354 K355R145-I357 HydrophobicContact CG-CD1 4.28Å; R145-I357 VanDerWaalsContact CZ-CD1 3.42Å; R145-I357 VanDerWaalsContact NE-CD1 3.31Å; S354-I357 VanDerWaalsContact O-CB 3.28Å; S354-I357 WeakPolarHBondContact O-CB 3.3Å; S354-I357 WeakPolarHBondContact O-CD1 3.47Å; S354-I357 WeakPolarHBondContact O-CG1 3.12Å; S354-I357 PolarHBondContact O-N 2.82Å; K355-I357 VanDerWaalsContact C-N 3.34Å
358F84.1Confident71.8Confident13 Ų1359.4 Ų59.46%0.05735%0.345CS..SBendtrans-96.4136.4171.6-55.9-45.3000109.8I92 I116 R145 I146 I350 S354I92-F358 HydrophobicContact CD1-CD2 3.96Å; I92-F358 HydrophobicContact CD1-CE2 3.73Å; I92-F358 HydrophobicContact CD1-CZ 4.47Å; I92-F358 HydrophobicContact CG1-CD2 4.17Å; I92-F358 HydrophobicContact CG1-CE2 3.41Å; I92-F358 VanDerWaalsContact CG1-CE2 3.41Å; I92-F358 HydrophobicContact CG1-CZ 3.89Å; I116-F358 HydrophobicContact CB-CD1 4.49Å; I116-F358 HydrophobicContact CD1-CB 3.7Å; I116-F358 HydrophobicContact CD1-CD1 4.09Å; I116-F358 HydrophobicContact CD1-CD2 4.02Å; I116-F358 HydrophobicContact CD1-CG 3.68Å; I116-F358 HydrophobicContact CG1-CB 4.29Å; I116-F358 HydrophobicContact CG1-CD1 3.92Å; I116-F358 HydrophobicContact CG1-CE1 4.46Å; I116-F358 HydrophobicContact CG1-CG 4.05Å; I116-F358 HydrophobicContact CG2-CD1 3.81Å; I116-F358 HydrophobicContact CG2-CD2 4.27Å; I116-F358 HydrophobicContact CG2-CE1 3.49Å; I116-F358 VanDerWaalsContact CG2-CE1 3.49Å; I116-F358 HydrophobicContact CG2-CE2 4Å; I116-F358 HydrophobicContact CG2-CG 4.21Å; I116-F358 HydrophobicContact CG2-CZ 3.6Å; R145-F358 HydrophobicContact CB-CE2 3.82Å; R145-F358 HydrophobicContact CB-CZ 4.09Å; R145-F358 HydrophobicContact CG-CE2 4.17Å; R145-F358 HydrophobicContact CG-CZ 3.99Å; I146-F358 HydrophobicContact CD1-CD2 4.25Å; I146-F358 HydrophobicContact CD1-CE2 4.36Å; I350-F358 HydrophobicContact CG2-CB 4.19Å; I350-F358 HydrophobicContact CG2-CD2 3.97Å; I350-F358 HydrophobicContact CG2-CG 4.49Å; S354-F358 PolarHBondContact OG-N 3.14Å; S354-F358 VanDerWaalsContact OG-N 3.11Å
359H73.5Confident70Confident122 Ų12261.2 Ų61.257%0.56536%0.359SS*.  trans-105.9150.9178.1-64.6-92.6000110G356 S361G356-H359 PolarHBondContact O-NE2 3.1Å; H359-S361 PolarHBondContact O-N 2.99Å
360A67.3Low68Low64 Ų6466.9 Ų66.953%0.52940%0.396SS..SBendtrans-72.9-19.1175.500000112.9L114 V351L114-A360 WeakPolarHBondContact CD2-O 3.37Å; V351-A360 HydrophobicContact CG2-CB 4.11Å
361S62.9Low65.8Low77 Ų7774.1 Ų74.154%0.53843%0.43SS..SBendtrans-93.2139.1175.854.40000110.6H359H359-S361 PolarHBondContact O-N 2.99Å
362P56.9Low63.9Low34 Ų3476.3 Ų76.322%0.22144%0.438CS..PPolyproline II helixtrans-52.5143164.9-22.832.6000110.5L115 S364 F372L115-P362 HydrophobicContact CD1-CB 3.96Å; P362-S364 PolarHBondContact O-N 2.71Å; P362-F372 HydrophobicContact CG-CZ 4.25Å
363P55.5Low61.8Low60 Ų6076.4 Ų76.439%0.3945%0.453SS..PPolyproline II helixtrans-50.2132.6168.914.8-29.8000111.5L115 S365 H366L115-P363 HydrophobicContact CD1-CG 4.08Å; P363-S365 PolarHBondContact O-N 3.04Å; P363-H366 WeakPolarHBondContact CG-ND1 3.4Å; P363-H366 PolarHBondContact O-N 3Å
364S51.8Low59.7Low131 Ų13180.7 Ų80.792%0.91648%0.476SS*.THydrogen-bonded Turntrans-58-21.1-175.356.50000114.4P362 H366P362-S364 PolarHBondContact O-N 2.71Å; S364-H366 VanDerWaalsContact C-N 3.27Å; S364-H366 PolarHBondContact O-N 3.45Å
365S51.4Low57.8Low92 Ų9282.2 Ų82.264%0.64348%0.484SS*.THydrogen-bonded Turntrans-74.8-11.2178.457.40000114.4P363P363-S365 PolarHBondContact O-N 3.04Å
366H49.4Very low56Low98 Ų9882.5 Ų82.545%0.45449%0.494SS..SBendtrans-97116.5-179-6861.9000109.8L115 P363 S364 F368L115-H366 HydrophobicContact CD1-CB 3.93Å; P363-H366 WeakPolarHBondContact CG-ND1 3.4Å; P363-H366 PolarHBondContact O-N 3Å; S364-H366 VanDerWaalsContact C-N 3.27Å; S364-H366 PolarHBondContact O-N 3.45Å; H366-F368 PolarHBondContact O-N 3.17Å
367P44.3Very low54.3Low121 Ų12185.1 Ų85.179%0.78651%0.507SS*.  trans-58.4135.3171.422.8-30.3000109.3S369P367-S369 PolarHBondContact O-N 3.12Å
368F47.3Very low52.4Low163 Ų16389.2 Ų89.272%0.71552%0.522SS*.  trans-55.1112.4176.1-80.2-86.9000109.4H366 F372H366-F368 PolarHBondContact O-N 3.17Å; F368-F372 HydrophobicContact CD1-CG 4.44Å
369S48.2Very low50.3Low47 Ų4793.8 Ų93.833%0.32955%0.545SS..  trans-65.6142.9177173.50000110.3P367 Q371 F372P367-S369 PolarHBondContact O-N 3.12Å; S369-Q371 PolarHBondContact O-N 3.46Å; S369-Q371 PolarHBondContact OG-N 3.27Å; S369-F372 WeakPolarHBondContact O-CB 3.43Å; S369-F372 PolarHBondContact O-N 3.43Å
370P49.8Very low48.6Very low120 Ų12095.2 Ų95.278%0.77956%0.557SS**G310 helixtrans-53.2-22.2173.3-24.131.5000114.1F372 G373P370-F372 PolarHBondContact O-N 3.39Å; P370-F372 VanDerWaalsContact O-N 3.13Å; P370-G373 PolarHBondContact O-N 2.97Å
371Q45.3Very low47.3Very low151 Ų15196.1 Ų96.171%0.70655%0.552SS**G310 helixtrans-60.5-18.5175.2-63.2-178.721.800113.5S369 G373 D374S369-Q371 PolarHBondContact O-N 3.46Å; S369-Q371 PolarHBondContact OG-N 3.27Å; Q371-G373 VanDerWaalsContact C-N 3.29Å; Q371-D374 PolarHBondContact O-N 2.71Å
372F46.2Very low46.1Very low57 Ų5798.2 Ų98.225%0.2557%0.567CS.*G310 helixtrans-71.2-22172.1-83-94000113V113 P362 F368 S369 P370 D374 I375V113-F372 HydrophobicContact CG1-CE1 3.77Å; V113-F372 HydrophobicContact CG1-CZ 4.03Å; P362-F372 HydrophobicContact CG-CZ 4.25Å; F368-F372 HydrophobicContact CD1-CG 4.44Å; S369-F372 WeakPolarHBondContact O-CB 3.43Å; S369-F372 PolarHBondContact O-N 3.43Å; P370-F372 PolarHBondContact O-N 3.39Å; P370-F372 VanDerWaalsContact O-N 3.13Å; F372-D374 PolarHBondContact O-N 3.21Å; F372-I375 HydrophobicContact CD1-CD1 3.49Å; F372-I375 VanDerWaalsContact CD1-CD1 3.49Å; F372-I375 HydrophobicContact CE1-CD1 3.86Å; F372-I375 HydrophobicContact CG-CD1 4.15Å; F372-I375 WeakPolarHBondContact O-CB 3.33Å; F372-I375 PolarHBondContact O-N 2.95Å
373G43.2Very low45Very low48 Ų4899 Ų9950%0.49557%0.572SS.*Hα-helixtrans-58.9-33.3173.800000112.5P370 Q371 I375 V376 S377P370-G373 PolarHBondContact O-N 2.97Å; Q371-G373 VanDerWaalsContact C-N 3.29Å; G373-I375 PolarHBondContact O-N 3.16Å; G373-V376 PolarHBondContact O-N 3.42Å; G373-S377 PolarHBondContact O-N 2.91Å
374D47.5Very low43.8Very low93 Ų93103.2 Ų103.250%0.49759%0.589SS.*Hα-helixtrans-68.9-20.5176.8-69.7-15000113.3Q371 F372 S377 K378Q371-D374 PolarHBondContact O-N 2.71Å; F372-D374 PolarHBondContact O-N 3.21Å; D374-S377 WeakPolarHBondContact CA-OG 3.17Å; D374-S377 PolarHBondContact O-OG 3.17Å; D374-S377 VanDerWaalsContact O-OG 3.09Å; D374-K378 VanDerWaalsContact O-CB 3.29Å; D374-K378 WeakPolarHBondContact O-CB 3.24Å; D374-K378 VanDerWaalsContact O-CG 3.24Å; D374-K378 WeakPolarHBondContact O-CG 3.45Å; D374-K378 PolarHBondContact O-N 2.76Å; D374-K378 VanDerWaalsContact O-N 3.1Å
375I46.9Very low43.1Very low36 Ų36101 Ų10119%0.18557%0.573CS.*Hα-helixtrans-74.6-43.7179.1-61177.5000109.9V113 F372 G373 S377 K378 M379V113-I375 HydrophobicContact CG1-CD1 4.16Å; V113-I375 HydrophobicContact CG2-CD1 3.97Å; F372-I375 HydrophobicContact CD1-CD1 3.49Å; F372-I375 VanDerWaalsContact CD1-CD1 3.49Å; F372-I375 HydrophobicContact CE1-CD1 3.86Å; F372-I375 HydrophobicContact CG-CD1 4.15Å; F372-I375 WeakPolarHBondContact O-CB 3.33Å; F372-I375 PolarHBondContact O-N 2.95Å; G373-I375 PolarHBondContact O-N 3.16Å; I375-S377 VanDerWaalsContact C-N 3.33Å; I375-K378 PolarHBondContact O-N 3.15Å; I375-M379 HydrophobicContact CG2-CE 3.92Å; I375-M379 HydrophobicContact CG2-SD 4.21Å; I375-M379 WeakPolarHBondContact O-CB 3.44Å; I375-M379 WeakPolarHBondContact O-CG 3.22Å; I375-M379 PolarHBondContact O-N 2.89Å
376V45.6Very low42.5Very low106 Ų106100.7 Ų100.764%0.64256%0.564SS**Hα-helixtrans-70.6-33179.5-176.30000110.7G373 M379G373-V376 PolarHBondContact O-N 3.42Å; V376-M379 VanDerWaalsContact O-O 3.04Å
377S42.3Very low42Very low85 Ų8599.2 Ų99.259%0.59456%0.559SS**Hα-helixtrans-73.9-31.8174.966.20000113.3G373 D374 I375G373-S377 PolarHBondContact O-N 2.91Å; D374-S377 WeakPolarHBondContact CA-OG 3.17Å; D374-S377 PolarHBondContact O-OG 3.17Å; D374-S377 VanDerWaalsContact O-OG 3.09Å; I375-S377 VanDerWaalsContact C-N 3.33Å
378K41.6Very low41.5Very low155 Ų15596.4 Ų96.467%0.67455%0.546SS*.Hα-helixtrans-81.3-29.4176.7-77.4175.7-178.41680113.9D374 I375 N380D374-K378 VanDerWaalsContact O-CB 3.29Å; D374-K378 WeakPolarHBondContact O-CB 3.24Å; D374-K378 VanDerWaalsContact O-CG 3.24Å; D374-K378 WeakPolarHBondContact O-CG 3.45Å; D374-K378 PolarHBondContact O-N 2.76Å; D374-K378 VanDerWaalsContact O-N 3.1Å; I375-K378 PolarHBondContact O-N 3.15Å; K378-N380 VanDerWaalsContact C-N 3.27Å; K378-N380 PolarHBondContact O-N 2.8Å
379M38.8Very low41Very low109 Ų10993.7 Ų93.754%0.53753%0.531SS..SBendtrans-74.288.9166-69.5-175.8176.900106.9I375 V376 I381I375-M379 HydrophobicContact CG2-CE 3.92Å; I375-M379 HydrophobicContact CG2-SD 4.21Å; I375-M379 WeakPolarHBondContact O-CB 3.44Å; I375-M379 WeakPolarHBondContact O-CG 3.22Å; I375-M379 PolarHBondContact O-N 2.89Å; V376-M379 VanDerWaalsContact O-O 3.04Å; M379-I381 HydrophobicContact CB-CD1 3.69Å; M379-I381 HydrophobicContact CB-CG1 3.89Å; M379-I381 HydrophobicContact CG-CD1 4.48Å; M379-I381 PolarHBondContact O-N 3.09Å; M379-I381 HydrophobicContact SD-CD1 4.17Å
380N38Very low40.4Very low152 Ų15295.2 Ų95.281%0.81354%0.541SS*.  trans-6568.7175.5-165.912.2000110.5K378 S382K378-N380 VanDerWaalsContact C-N 3.27Å; K378-N380 PolarHBondContact O-N 2.8Å; N380-S382 PolarHBondContact O-N 3.48Å
381I40.1Very low39.7Very low84 Ų8495.4 Ų95.443%0.43153%0.53SS..  trans-93.486.2-179.1-59.9166.6000105.6M379 C383M379-I381 HydrophobicContact CB-CD1 3.69Å; M379-I381 HydrophobicContact CB-CG1 3.89Å; M379-I381 HydrophobicContact CG-CD1 4.48Å; M379-I381 PolarHBondContact O-N 3.09Å; M379-I381 HydrophobicContact SD-CD1 4.17Å; I381-C383 HydrophobicContact CG2-CB 4.48Å; I381-C383 PolarHBondContact O-N 3.26Å
382S38.9Very low39Very low121 Ų12195.4 Ų95.485%0.84653%0.53SS*.  trans-70.98.9173.864.60000113.6N380N380-S382 PolarHBondContact O-N 3.48Å
383C33.5Very low38.5Very low50 Ų5097.7 Ų97.734%0.33854%0.541SS..  trans-113.392.2-177.1-1550000110.8I381 S385 D386I381-C383 HydrophobicContact CG2-CB 4.48Å; I381-C383 PolarHBondContact O-N 3.26Å; C383-S385 PolarHBondContact O-N 2.93Å; C383-S385 PolarHBondContact SG-OG 3.37Å; C383-D386 PolarHBondContact O-N 3.08Å; C383-D386 VanDerWaalsContact O-N 3.09Å
384M29.2Very low37.9Very low149 Ų149100.9 Ų100.973%0.73455%0.551SS**Hα-helixtrans-55.9-17.9172.2-74.3-155.288.500113.5
385S38.4Very low37.1Very low83 Ų83102.6 Ų102.658%0.5856%0.559SS**Hα-helixtrans-73.7-24.7177.575.70000113.9C383C383-S385 PolarHBondContact O-N 2.93Å; C383-S385 PolarHBondContact SG-OG 3.37Å
386D37.1Very low36.1Very low86 Ų86104.9 Ų104.946%0.4658%0.578SS.*Hα-helixtrans-82.7-27179.3-75.3-42.6000112.6C383 Y389 C390C383-D386 PolarHBondContact O-N 3.08Å; C383-D386 VanDerWaalsContact O-N 3.09Å; D386-Y389 PolarHBondContact O-N 3.28Å; D386-C390 WeakPolarHBondContact O-CB 3.35Å; D386-C390 PolarHBondContact O-N 3.33Å
387I39.6Very low35.2Very low68 Ų68109 Ų10935%0.34959%0.588SS.*Hα-helixtrans-66.8-48.1179.6-61177.1000110.3Y389 C390 F391I387-Y389 PolarHBondContact O-N 2.96Å; I387-C390 PolarHBondContact O-N 3.18Å; I387-F391 HydrophobicContact CG2-CD2 3.63Å; I387-F391 HydrophobicContact CG2-CE2 3.84Å; I387-F391 WeakPolarHBondContact O-CB 3.33Å; I387-F391 WeakPolarHBondContact O-CD2 3.46Å; I387-F391 PolarHBondContact O-N 2.9Å
388A34.8Very low34.4Very low61 Ų61114.4 Ų114.450%0.50460%0.601SS.*Hα-helixtrans-58.9-39.5176.700000111.3Q392A388-Q392 VanDerWaalsContact O-CB 3.27Å; A388-Q392 WeakPolarHBondContact O-CB 3.36Å; A388-Q392 PolarHBondContact O-N 3.29Å
389Y36.9Very low33.9Very low106 Ų106111.8 Ų111.842%0.41660%0.6SS.*Hα-helixtrans-72.4-37.8-179.3-166.9-100.3000113.4R227 D386 I387R227-Y389 PolarHBondContact NH1-OH 2.67Å; R227-Y389 PolarHBondContact NH2-OH 2.84Å; D386-Y389 PolarHBondContact O-N 3.28Å; I387-Y389 PolarHBondContact O-N 2.96Å
390C35.3Very low33.5Very low79 Ų79113.8 Ų113.853%0.53461%0.613SS.*Hα-helixtrans-68.7-42.2174.7-83.80000112.2D386 I387 V394D386-C390 WeakPolarHBondContact O-CB 3.35Å; D386-C390 PolarHBondContact O-N 3.33Å; I387-C390 PolarHBondContact O-N 3.18Å; C390-V394 WeakPolarHBondContact O-CG2 3.19Å; C390-V394 PolarHBondContact O-N 3.34Å
391F34.6Very low33.2Very low124 Ų124115.8 Ų115.854%0.54461%0.614SS.*Hα-helixtrans-74-35.6-178.4-86.8-82.4000113.4I387 H393 L395I387-F391 HydrophobicContact CG2-CD2 3.63Å; I387-F391 HydrophobicContact CG2-CE2 3.84Å; I387-F391 WeakPolarHBondContact O-CB 3.33Å; I387-F391 WeakPolarHBondContact O-CD2 3.46Å; I387-F391 PolarHBondContact O-N 2.9Å; F391-H393 PolarHBondContact O-N 3.31Å; F391-L395 PolarHBondContact O-N 3.44Å
392Q31.3Very low32.8Very low151 Ų151117.8 Ų117.871%0.70663%0.63SS**Hα-helixtrans-67.2-24.4-179.3-147.6169.8-0.300112.6A388A388-Q392 VanDerWaalsContact O-CB 3.27Å; A388-Q392 WeakPolarHBondContact O-CB 3.36Å; A388-Q392 PolarHBondContact O-N 3.29Å
393H34.5Very low32.2Very low106 Ų106121.2 Ų121.249%0.49163%0.633SS.*Hα-helixtrans-93.6-30.5179.1-97.1-71.3000114.7F391 L395 S396F391-H393 PolarHBondContact O-N 3.31Å; H393-L395 PolarHBondContact O-N 2.75Å; H393-S396 PolarHBondContact O-N 3.08Å; H393-S396 VanDerWaalsContact O-N 3.15Å
394V31.9Very low31.9Very low114 Ų114124.1 Ų124.169%0.69165%0.649SS**Hα-helixtrans-64.7-28173.3174.50000111C390C390-V394 WeakPolarHBondContact O-CG2 3.19Å; C390-V394 PolarHBondContact O-N 3.34Å
395L29.2Very low31.9Very low130 Ų130125.2 Ų125.268%0.68165%0.652SS**THydrogen-bonded Turntrans-90.31175.8-67.1170.6000114.5F391 H393 F397F391-L395 PolarHBondContact O-N 3.44Å; H393-L395 PolarHBondContact O-N 2.75Å; L395-F397 PolarHBondContact O-N 3.14Å
396S26.1Very low31.3Very low83 Ų83131.3 Ų131.358%0.5866%0.664SS**  trans-83.545.2172.3174.80000111.4H393H393-S396 PolarHBondContact O-N 3.08Å; H393-S396 VanDerWaalsContact O-N 3.15Å
397F27.3Very low31Very low192 Ų192132.7 Ų132.784%0.84267%0.67SS**SBendtrans-93.7115.8157.6-105.5-91.2000107.2L395L395-F397 PolarHBondContact O-N 3.14Å
398K26Very low30.6Very low199 Ų199136.7 Ų136.787%0.86569%0.691SS**  trans-46.2127.8176.7-94.5178.9170.71790109.6D400K398-D400 PolarHBondContact O-N 2.71Å; K398-D400 VanDerWaalsContact O-N 3.13Å
399P31.5Very low30.3Very low100 Ų100137.7 Ų137.765%0.64969%0.693SS**  trans-73.8109175.330.1-29.4000107.2
400D29.9Very low30Very low152 Ų152135.8 Ų135.881%0.81370%0.699SS**  trans-68.8132.9156.7-141.8-14.6000107.1K398 T402K398-D400 PolarHBondContact O-N 2.71Å; K398-D400 VanDerWaalsContact O-N 3.13Å; D400-T402 VanDerWaalsContact C-N 3.33Å; D400-T402 PolarHBondContact O-N 3.12Å
401K32.3Very low29.9Very low193 Ų193136.4 Ų136.484%0.83970%0.701SS**SBendtrans-74.278.9-162.4-74178.8174.9178.70111.7
402T31.2Very low29.5Very low126 Ų126133.3 Ų133.377%0.77370%0.698SS**SBendtrans-175.9134.5156.528.80000106.9D400D400-T402 VanDerWaalsContact C-N 3.33Å; D400-T402 PolarHBondContact O-N 3.12Å
403E26.1Very low29.5Very low194 Ų194135.7 Ų135.791%0.90770%0.702SS**  trans8356-173.6-53.1-167.5150.400117.6
404V27.9Very low29.4Very low110 Ų110137.2 Ų137.267%0.66771%0.713SS**  trans-105.771.2157.1-173.60000109.1
405Q27.3Very low29.3Very low172 Ų172139.9 Ų139.980%0.80472%0.72SS**SBendtrans-128.25.9174.3-116.3179.6-4.100116.7
406Y27.4Very low29.2Very low211 Ų211140.2 Ų140.283%0.82772%0.722SS**SBendtrans-135.524.3178.3-72-75.3000116.8
407I30.2Very low29.3Very low115 Ų115145.1 Ų145.159%0.5973%0.733SS**  trans-86.6-6.7175.9-62.6-179.9000113.1
408L30.2Very low29.4Very low152 Ų152143.5 Ų143.580%0.79673%0.728SS**THydrogen-bonded Turntrans-88.3-1-172.2-104.9139.6000119.5
409P30Very low29.4Very low82 Ų82141.9 Ų141.953%0.53273%0.728SS.*THydrogen-bonded Turntrans-91.8-18.8166.5-9.627.7000114.6
410A30Very low28.9Very low66 Ų66144.3 Ų144.355%0.54574%0.736SS.*Hα-helixtrans-76-25.6-173.100000113.8
411T33Very low29Very low93 Ų93148.5 Ų148.557%0.57176%0.755SS**Hα-helixtrans-80.9-23.4177.748.60000113.2
412A27.3Very low28.8Very low59 Ų59146.3 Ų146.349%0.48875%0.751SS.*Hα-helixtrans-80.3-30.3-178.500000113.3
413Y29.4Very low28.7Very low201 Ų201147.3 Ų147.379%0.78875%0.75SS**Hα-helixtrans-78.1-23.5180-100.2-85.7000113.9
414L32.9Very low28.8Very low138 Ų138144.7 Ų144.772%0.72374%0.741SS**Hα-helixtrans-89.9-16.3-177.6-82.6160.6000114.4
415M29.6Very low28.9Very low170 Ų170146.8 Ų146.884%0.83775%0.746SS**SBendtrans-86.5-10.6176.6-84.1-154147.600114.7
416N27.2Very low29Very low136 Ų136145.2 Ų145.273%0.72774%0.742SS**SBendtrans-97.416.7-172.9-94.1-16.3000115.9
417F28.2Very low29.1Very low186 Ų186140.8 Ų140.882%0.81674%0.736SS**SBendtrans-120.223.4179.8-102.3-77.4000116.3
418H29.4Very low29Very low159 Ų159142.6 Ų142.674%0.73675%0.747SS**SBendtrans-132.328.7167.1-105.5-43.9000115.6
419L25.4Very low28.9Very low164 Ų164141.9 Ų141.986%0.85974%0.743SS**SBendtrans-113.974.1153.6-80.2165.1000107.4
420D22.6Very low28.8Very low152 Ų152146.9 Ų146.981%0.81376%0.761SS**  trans173130.3146.4-85.8-22.3000108.4
421I30.7Very low28.7Very low239 Ų239154.3 Ų154.3100%1.22678%0.78SS**  trans88.70-174.5-46175.4000114.6

Retrieved 421 of 421 residues in 133.4 ms (Link to these results)

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