B3TDC1_SALSA Loading...

Vacuolar-sorting protein SNF8

Component of the endosomal sorting complex required for transport II (ESCRT-II), which is required for multivesicular body (MVB) formation and sorting of endosomal cargo proteins into MVBs.

AlphaFold DB , UniProt , Accession B3TDC1, Species SALSA (Salmo salar, Atlantic salmon), Gene Eap30a, Length 258 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
1M41.4Very low61.2Low250 Ų250131.3 Ų131.3100%1.23273%0.732SS**  093.70-86.8175.1153.500109.3R3M1-R3 PolarHBondContact O-N 3.48Å
2H43.2Very low62.7Low193 Ų193125.2 Ų125.289%0.89471%0.711SS**  trans-87.8107.5178.3-113.9-49.5000109.8R4H2-R4 PolarHBondContact O-N 3.1Å; H2-R4 VanDerWaalsContact O-N 3.1Å
3R53.5Low64Low242 Ų242128.5 Ų128.591%0.91371%0.713SS**  trans-65.3104.2165.2-87178.8162.9172.3-3.9108M1 G5M1-R3 PolarHBondContact O-N 3.48Å; R3-G5 PolarHBondContact O-N 3.2Å
4R56.3Low65.4Low245 Ų245129.1 Ų129.193%0.92570%0.704SS**  trans-64.2112.8166.3-87.3177.1149.1162.3-6.5108H2H2-R4 PolarHBondContact O-N 3.1Å; H2-R4 VanDerWaalsContact O-N 3.1Å
5G58.8Low66.6Low71 Ų71130.1 Ų130.173%0.73270%0.699SS**PPolyproline II helixtrans-59.6141.1176.600000111.2R3 G7R3-G5 PolarHBondContact O-N 3.2Å; G5-G7 PolarHBondContact O-N 3.24Å
6V60.6Low67.7Low112 Ų112128.4 Ų128.468%0.67969%0.689SS**PPolyproline II helixtrans-60.1120.2179.5-146.80000108.8A10 I11V6-A10 HydrophobicContact CG1-CB 4.23Å; V6-I11 HydrophobicContact CB-CD1 4.45Å; V6-I11 HydrophobicContact CB-CG1 4.37Å
7G68.3Low68.6Low48 Ų48123.1 Ų123.150%0.49567%0.667SS.*PPolyproline II helixtrans-63.4142.5-17600000112.6G5 G9 A10 I11G5-G7 PolarHBondContact O-N 3.24Å; G7-G9 PolarHBondContact O-N 2.97Å; G7-A10 WeakPolarHBondContact O-CB 3.39Å; G7-A10 PolarHBondContact O-N 3.38Å; G7-I11 PolarHBondContact O-N 3.06Å
8A69.1Low69.5Low84 Ų84122.2 Ų122.269%0.69466%0.657SS**Hα-helixtrans-51.6-34.2-176.500000114I11 A12A8-I11 PolarHBondContact O-N 2.98Å; A8-A12 PolarHBondContact O-N 3.28Å
9G72.4Confident70.4Confident57 Ų57118.8 Ų118.859%0.58865%0.649SS**Hα-helixtrans-67.2-33.7174.800000114.3G7 K13G7-G9 PolarHBondContact O-N 2.97Å; G9-K13 WeakPolarHBondContact O-CB 3.41Å; G9-K13 PolarHBondContact O-N 2.99Å
10A73.3Confident71.2Confident56 Ų56119.1 Ų119.146%0.46364%0.643SS.*Hα-helixtrans-71-35.8175.100000111.5V6 G7 K14V6-A10 HydrophobicContact CG1-CB 4.23Å; G7-A10 WeakPolarHBondContact O-CB 3.39Å; G7-A10 PolarHBondContact O-N 3.38Å; A10-K14 WeakPolarHBondContact O-CB 3.32Å; A10-K14 PolarHBondContact O-N 2.86Å
11I76.4Confident71.9Confident86 Ų86122 Ų12244%0.44165%0.646SS.*Hα-helixtrans-67.2-44.4174.6-62.6170.7000110.6V6 G7 A8 K14 K15V6-I11 HydrophobicContact CB-CD1 4.45Å; V6-I11 HydrophobicContact CB-CG1 4.37Å; G7-I11 PolarHBondContact O-N 3.06Å; A8-I11 PolarHBondContact O-N 2.98Å; I11-K14 PolarHBondContact O-N 3.37Å; I11-K15 PolarHBondContact O-N 2.95Å
12A78.6Confident74.1Confident58 Ų58117.7 Ų117.748%0.47962%0.621SS.*Hα-helixtrans-63.1-43.5176.500000112.1A8 K14 K15 L16A8-A12 PolarHBondContact O-N 3.28Å; A12-K14 VanDerWaalsContact C-N 3.35Å; A12-K14 PolarHBondContact O-N 3Å; A12-K15 PolarHBondContact O-N 2.9Å; A12-L16 WeakPolarHBondContact O-CB 3.33Å; A12-L16 PolarHBondContact O-N 3.41Å
13K80.8Confident76.2Confident169 Ų169114.6 Ų114.674%0.73561%0.606SS**Hα-helixtrans-65.3-37.5177.4-158.3175.2-173.5-179.90112G9 A17G9-K13 WeakPolarHBondContact O-CB 3.41Å; G9-K13 PolarHBondContact O-N 2.99Å; K13-A17 WeakPolarHBondContact O-CB 3.38Å; K13-A17 PolarHBondContact O-N 3.48Å
14K82.6Confident77.8Confident136 Ų136112.6 Ų112.659%0.59160%0.599SS**Hα-helixtrans-65.7-47174.1-173.2178.2175.4-175.50112A10 I11 A12 L16 A17 E18A10-K14 WeakPolarHBondContact O-CB 3.32Å; A10-K14 PolarHBondContact O-N 2.86Å; I11-K14 PolarHBondContact O-N 3.37Å; A12-K14 VanDerWaalsContact C-N 3.35Å; A12-K14 PolarHBondContact O-N 3Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 2.96Å; K14-A17 PolarHBondContact O-N 3.39Å; K14-E18 WeakPolarHBondContact CE-OE1 3.4Å; K14-E18 PolarHBondContact O-N 3.38Å
15K83.4Confident79.3Confident145 Ų145102.8 Ų102.863%0.6357%0.574SS**Hα-helixtrans-59.7-41.1175.4-82.3-172174.2-174.80112.6I11 A12 E18 A19I11-K15 PolarHBondContact O-N 2.95Å; A12-K15 PolarHBondContact O-N 2.9Å; K15-E18 PolarHBondContact O-N 2.94Å; K15-A19 WeakPolarHBondContact O-CB 3Å; K15-A19 PolarHBondContact O-N 3.43Å
16L84.3Confident80.7Confident103 Ų103102.7 Ų102.754%0.53956%0.559SS.*Hα-helixtrans-69.9-34.6179.2-161.9142.8000111.9A12 K14 K20A12-L16 WeakPolarHBondContact O-CB 3.33Å; A12-L16 PolarHBondContact O-N 3.41Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 2.96Å; L16-K20 HydrophobicContact CD2-CD 4.06Å; L16-K20 WeakPolarHBondContact O-CG 3.44Å; L16-K20 PolarHBondContact O-N 3.38Å; L16-K20 VanDerWaalsContact O-N 3.12Å
17A83.3Confident82Confident37 Ų37100.5 Ų100.531%0.30655%0.546SS..Hα-helixtrans-66.6-47.6171.300000111.6K13 K14 A19 K20 Y21K13-A17 WeakPolarHBondContact O-CB 3.38Å; K13-A17 PolarHBondContact O-N 3.48Å; K14-A17 PolarHBondContact O-N 3.39Å; A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.24Å; A17-K20 PolarHBondContact O-N 2.86Å; A17-Y21 HydrophobicContact CB-CD2 4.38Å; A17-Y21 HydrophobicContact CB-CE2 4.16Å; A17-Y21 WeakPolarHBondContact O-CD2 3.45Å; A17-Y21 PolarHBondContact O-N 3.17Å
18E84.8Confident83Confident107 Ų107103.2 Ų103.250%0.555%0.549SS..Hα-helixtrans-57.5-42175.6-78.8171.3-178.600112.2K14 K15 Y21 K22K14-E18 WeakPolarHBondContact CE-OE1 3.4Å; K14-E18 PolarHBondContact O-N 3.38Å; K15-E18 PolarHBondContact O-N 2.94Å; E18-Y21 PolarHBondContact O-N 3.12Å; E18-K22 WeakPolarHBondContact O-CB 3.21Å; E18-K22 PolarHBondContact O-N 2.93Å
19A86.1Confident83.8Confident59 Ų59101.3 Ų101.349%0.48853%0.533SS..Hα-helixtrans-61.7-45.5175.100000112.1K15 A17 K22 E23K15-A19 WeakPolarHBondContact O-CB 3Å; K15-A19 PolarHBondContact O-N 3.43Å; A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.24Å; A19-K22 PolarHBondContact O-N 2.94Å; A19-E23 WeakPolarHBondContact O-CB 3.44Å; A19-E23 PolarHBondContact O-N 2.93Å
20K86.1Confident84.6Confident124 Ų124104.3 Ų104.354%0.53953%0.532SS..Hα-helixtrans-66-36.7176.7-75.4-177.1175.8-175.50113.2L16 A17 R24L16-K20 HydrophobicContact CD2-CD 4.06Å; L16-K20 WeakPolarHBondContact O-CG 3.44Å; L16-K20 PolarHBondContact O-N 3.38Å; L16-K20 VanDerWaalsContact O-N 3.12Å; A17-K20 PolarHBondContact O-N 2.86Å; K20-R24 WeakPolarHBondContact O-CB 3.41Å; K20-R24 PolarHBondContact O-N 3.28Å
21Y86Confident85.5Confident179 Ų179106.3 Ų106.370%0.70254%0.535SS*.Hα-helixtrans-66.8-39.3174.1-76-63.2000111.4A17 E18 G25A17-Y21 HydrophobicContact CB-CD2 4.38Å; A17-Y21 HydrophobicContact CB-CE2 4.16Å; A17-Y21 WeakPolarHBondContact O-CD2 3.45Å; A17-Y21 PolarHBondContact O-N 3.17Å; E18-Y21 PolarHBondContact O-N 3.12Å; Y21-G25 PolarHBondContact O-N 2.87Å
22K88.6Confident86.1Confident161 Ų161107.6 Ų107.670%0.754%0.539SS*.Hα-helixtrans-64.4-46.4175.8-168.3177.9-179.3-177.50111.5E18 A19 G25 T26E18-K22 WeakPolarHBondContact O-CB 3.21Å; E18-K22 PolarHBondContact O-N 2.93Å; A19-K22 PolarHBondContact O-N 2.94Å; K22-G25 WeakPolarHBondContact O-CA 3.37Å; K22-G25 PolarHBondContact O-N 3.27Å; K22-G25 VanDerWaalsContact O-N 3.16Å; K22-T26 PolarHBondContact O-N 3.4Å
23E87.8Confident86.5Confident127 Ų127110 Ų11059%0.59354%0.542SS*.Hα-helixtrans-62.5-44.4176.6-174.2-177.8-169.300112.2A19 G25 T26 V27A19-E23 WeakPolarHBondContact O-CB 3.44Å; A19-E23 PolarHBondContact O-N 2.93Å; E23-G25 VanDerWaalsContact C-N 3.27Å; E23-G25 PolarHBondContact O-N 3.1Å; E23-T26 PolarHBondContact O-N 2.98Å; E23-T26 PolarHBondContact O-OG1 2.93Å; E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 3.44Å
24R86.9Confident87.1Confident200 Ų200106.7 Ų106.776%0.75554%0.536SS*.Hα-helixtrans-64.7-33.6172.6-78.7-166.4173.8-155.5-1.7112.7K20 L28K20-R24 WeakPolarHBondContact O-CB 3.41Å; K20-R24 PolarHBondContact O-N 3.28Å; R24-L28 WeakPolarHBondContact O-CB 3.36Å; R24-L28 PolarHBondContact O-N 2.8Å
25G87.6Confident87.4Confident39 Ų39105.9 Ų105.940%0.40254%0.535SS..Hα-helixtrans-64.6-39.8174.500000112.5Y21 K22 E23 A29Y21-G25 PolarHBondContact O-N 2.87Å; K22-G25 WeakPolarHBondContact O-CA 3.37Å; K22-G25 PolarHBondContact O-N 3.27Å; K22-G25 VanDerWaalsContact O-N 3.16Å; E23-G25 VanDerWaalsContact C-N 3.27Å; E23-G25 PolarHBondContact O-N 3.1Å; G25-A29 WeakPolarHBondContact O-CB 3.48Å; G25-A29 PolarHBondContact O-N 3.16Å; G25-A29 VanDerWaalsContact O-N 3.1Å
26T88Confident87.5Confident69 Ų69104.7 Ų104.742%0.42353%0.532SS..Hα-helixtrans-68.6-43.7175.754.40000111.7K22 E23 L28 A29 E30K22-T26 PolarHBondContact O-N 3.4Å; E23-T26 PolarHBondContact O-N 2.98Å; E23-T26 PolarHBondContact O-OG1 2.93Å; T26-L28 VanDerWaalsContact C-N 3.35Å; T26-L28 PolarHBondContact O-N 3.02Å; T26-A29 PolarHBondContact O-N 3.36Å; T26-E30 WeakPolarHBondContact O-CG 3.48Å; T26-E30 PolarHBondContact O-N 3.25Å
27V87.4Confident87.6Confident67 Ų67102.4 Ų102.441%0.40653%0.525SS..Hα-helixtrans-61.6-42.8176.5174.40000111.4E23 A29 E30 D31E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 3.44Å; V27-A29 VanDerWaalsContact C-N 3.31Å; V27-A29 PolarHBondContact O-N 3.38Å; V27-E30 PolarHBondContact O-N 2.91Å; V27-D31 WeakPolarHBondContact O-CB 3.49Å; V27-D31 PolarHBondContact O-N 3.05Å
28L88.8Confident87.9Confident104 Ų104107.6 Ų107.655%0.54554%0.541SS..Hα-helixtrans-63.4-37.4177-175.266.4000112.3R24 T26 Q32R24-L28 WeakPolarHBondContact O-CB 3.36Å; R24-L28 PolarHBondContact O-N 2.8Å; T26-L28 VanDerWaalsContact C-N 3.35Å; T26-L28 PolarHBondContact O-N 3.02Å; L28-Q32 WeakPolarHBondContact O-CB 3.48Å; L28-Q32 WeakPolarHBondContact O-CG 3.4Å; L28-Q32 PolarHBondContact O-N 3.2Å
29A87.3Confident87.9Confident44 Ų44108.1 Ų108.136%0.36454%0.543SS..Hα-helixtrans-67.8-41.3175.500000111.6G25 T26 V27 Q32 I33G25-A29 WeakPolarHBondContact O-CB 3.48Å; G25-A29 PolarHBondContact O-N 3.16Å; G25-A29 VanDerWaalsContact O-N 3.1Å; T26-A29 PolarHBondContact O-N 3.36Å; V27-A29 VanDerWaalsContact C-N 3.31Å; V27-A29 PolarHBondContact O-N 3.38Å; A29-Q32 PolarHBondContact O-N 2.86Å; A29-I33 VanDerWaalsContact O-CG1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.35Å; A29-I33 PolarHBondContact O-N 3.43Å
30E89.3Confident87.6Confident120 Ų120109.9 Ų109.956%0.56154%0.544SS*.Hα-helixtrans-61.8-46.7174.4-74.3172.8178.800111.3T26 V27 Q32 I33 V34T26-E30 WeakPolarHBondContact O-CG 3.48Å; T26-E30 PolarHBondContact O-N 3.25Å; V27-E30 PolarHBondContact O-N 2.91Å; E30-Q32 VanDerWaalsContact C-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.85Å; E30-I33 PolarHBondContact O-N 3Å; E30-I33 VanDerWaalsContact O-N 3.14Å; E30-V34 WeakPolarHBondContact O-CG2 3.32Å; E30-V34 PolarHBondContact O-N 3.14Å
31D91.2Very high87.4Confident99 Ų99110.5 Ų110.553%0.52955%0.549SS..Hα-helixtrans-59.5-41.2176.2-76-19.9000111.7V27 V34 Q35V27-D31 WeakPolarHBondContact O-CB 3.49Å; V27-D31 PolarHBondContact O-N 3.05Å; D31-V34 PolarHBondContact O-N 3.4Å; D31-Q35 WeakPolarHBondContact O-CB 3.39Å; D31-Q35 PolarHBondContact O-N 2.95Å
32Q88.6Confident87.5Confident113 Ų113105.6 Ų105.653%0.52854%0.538SS..Hα-helixtrans-62.9-42.7174.7-80.4-179.2-7.700112.3L28 A29 E30 Q35 M36L28-Q32 WeakPolarHBondContact O-CB 3.48Å; L28-Q32 WeakPolarHBondContact O-CG 3.4Å; L28-Q32 PolarHBondContact O-N 3.2Å; A29-Q32 PolarHBondContact O-N 2.86Å; E30-Q32 VanDerWaalsContact C-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.85Å; Q32-Q35 PolarHBondContact O-N 3.35Å; Q32-M36 WeakPolarHBondContact O-CB 3.42Å; Q32-M36 VanDerWaalsContact O-CG 3.31Å; Q32-M36 WeakPolarHBondContact O-CG 3.31Å; Q32-M36 PolarHBondContact O-N 2.91Å
33I88.6Confident87Confident108 Ų108102 Ų10255%0.55452%0.522SS*.Hα-helixtrans-64.2-42.1178.1-70.3165.9000111A29 E30 M36 S37A29-I33 VanDerWaalsContact O-CG1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.35Å; A29-I33 PolarHBondContact O-N 3.43Å; E30-I33 PolarHBondContact O-N 3Å; E30-I33 VanDerWaalsContact O-N 3.14Å; I33-M36 PolarHBondContact O-N 3.18Å; I33-S37 WeakPolarHBondContact O-CB 3.45Å; I33-S37 PolarHBondContact O-N 3.43Å; I33-S37 PolarHBondContact O-OG 3.05Å
34V92Very high86.5Confident99 Ų99101.3 Ų101.360%0.652%0.517SS*.Hα-helixtrans-64.4-44.4177.1172.90000110.4E30 D31 S37 K38E30-V34 WeakPolarHBondContact O-CG2 3.32Å; E30-V34 PolarHBondContact O-N 3.14Å; D31-V34 PolarHBondContact O-N 3.4Å; V34-S37 PolarHBondContact O-N 3.42Å; V34-K38 PolarHBondContact O-N 3.36Å
35Q90Very high86.4Confident120 Ų12095 Ų9556%0.56150%0.504SS*.Hα-helixtrans-63-43.8177-173.8179.7-1000111.9D31 Q32 K38 Q39D31-Q35 WeakPolarHBondContact O-CB 3.39Å; D31-Q35 PolarHBondContact O-N 2.95Å; Q32-Q35 PolarHBondContact O-N 3.35Å; Q35-K38 PolarHBondContact O-N 2.9Å; Q35-Q39 WeakPolarHBondContact O-CG 3.4Å; Q35-Q39 PolarHBondContact O-N 3.49Å
36M85.9Confident86.3Confident119 Ų11997.2 Ų97.259%0.58651%0.506SS*.Hα-helixtrans-62.4-43.5176.1-77.1-175.869.200111.8Q32 I33 K38 Q39 L40Q32-M36 WeakPolarHBondContact O-CB 3.42Å; Q32-M36 VanDerWaalsContact O-CG 3.31Å; Q32-M36 WeakPolarHBondContact O-CG 3.31Å; Q32-M36 PolarHBondContact O-N 2.91Å; I33-M36 PolarHBondContact O-N 3.18Å; M36-K38 VanDerWaalsContact C-N 3.33Å; M36-K38 PolarHBondContact O-N 2.91Å; M36-Q39 PolarHBondContact O-N 2.78Å; M36-L40 WeakPolarHBondContact O-CG 3.44Å; M36-L40 PolarHBondContact O-N 3.02Å
37S86.3Confident85.9Confident56 Ų5694.2 Ų94.239%0.39249%0.488SS..Hα-helixtrans-58.5-45.3177-59.10000111.3I33 V34 Q39 L40 E41I33-S37 WeakPolarHBondContact O-CB 3.45Å; I33-S37 PolarHBondContact O-N 3.43Å; I33-S37 PolarHBondContact O-OG 3.05Å; V34-S37 PolarHBondContact O-N 3.42Å; S37-Q39 VanDerWaalsContact C-N 3.34Å; S37-Q39 PolarHBondContact O-N 3.4Å; S37-L40 PolarHBondContact O-N 3.4Å; S37-E41 PolarHBondContact O-N 3.37Å
38K88.9Confident85.6Confident146 Ų14693 Ų9364%0.63548%0.477SS*.Hα-helixtrans-63.3-38.6176.5-172.6176.5-178.3178.40112.8V34 Q35 M36 E41 T42V34-K38 PolarHBondContact O-N 3.36Å; Q35-K38 PolarHBondContact O-N 2.9Å; M36-K38 VanDerWaalsContact C-N 3.33Å; M36-K38 PolarHBondContact O-N 2.91Å; K38-E41 PolarHBondContact O-N 3.42Å; K38-T42 PolarHBondContact O-N 2.81Å; K38-T42 PolarHBondContact O-OG1 3.03Å
39Q85Confident85.4Confident117 Ų11794 Ų9455%0.54748%0.48SS..Hα-helixtrans-65.5-42.2175.3-75.4-178.4-22.400111.5Q35 M36 S37 T42 F43Q35-Q39 WeakPolarHBondContact O-CG 3.4Å; Q35-Q39 PolarHBondContact O-N 3.49Å; M36-Q39 PolarHBondContact O-N 2.78Å; S37-Q39 VanDerWaalsContact C-N 3.34Å; S37-Q39 PolarHBondContact O-N 3.4Å; Q39-T42 PolarHBondContact O-N 2.88Å; Q39-F43 VanDerWaalsContact O-CB 3.27Å; Q39-F43 WeakPolarHBondContact O-CB 3.32Å; Q39-F43 PolarHBondContact O-N 3.4Å
40L79.9Confident85.3Confident97 Ų9795.1 Ų95.151%0.50848%0.476SS..Hα-helixtrans-62.3-41.6175.6-73.1172.3000112.1M36 S37 F43 K44 I75M36-L40 WeakPolarHBondContact O-CG 3.44Å; M36-L40 PolarHBondContact O-N 3.02Å; S37-L40 PolarHBondContact O-N 3.4Å; L40-F43 PolarHBondContact O-N 2.78Å; L40-K44 VanDerWaalsContact O-CB 3.32Å; L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 PolarHBondContact O-N 2.83Å; L40-I75 HydrophobicContact CD2-CG2 4.01Å
41E82.5Confident85Confident137 Ų13789.4 Ų89.464%0.6445%0.45SS*.Hα-helixtrans-63.8-46.9175.9-75.3178.4173.600112.3S37 K38 F43 K44 S45S37-E41 PolarHBondContact O-N 3.37Å; K38-E41 PolarHBondContact O-N 3.42Å; E41-F43 VanDerWaalsContact C-N 3.28Å; E41-F43 PolarHBondContact O-N 3.22Å; E41-K44 PolarHBondContact O-N 3.24Å; E41-S45 PolarHBondContact O-N 2.99Å
42T86.5Confident84.6Confident75 Ų7587.5 Ų87.546%0.4644%0.444SS..Hα-helixtrans-60-43.4176.9-52.80000110.3K38 Q39 S45 N46K38-T42 PolarHBondContact O-N 2.81Å; K38-T42 PolarHBondContact O-OG1 3.03Å; Q39-T42 PolarHBondContact O-N 2.88Å; T42-S45 PolarHBondContact O-N 3Å; T42-N46 PolarHBondContact O-N 3.37Å; T42-N46 PolarHBondContact O-ND2 3.48Å; T42-N46 PolarHBondContact O-OD1 3.29Å
43F79.1Confident84.7Confident86 Ų8690 Ų9038%0.37745%0.453SS..Hα-helixtrans-66.4-42.9179.5-163.1-76.8000111.9Q39 L40 E41 S45 N46 L47 I75Q39-F43 VanDerWaalsContact O-CB 3.27Å; Q39-F43 WeakPolarHBondContact O-CB 3.32Å; Q39-F43 PolarHBondContact O-N 3.4Å; L40-F43 PolarHBondContact O-N 2.78Å; E41-F43 VanDerWaalsContact C-N 3.28Å; E41-F43 PolarHBondContact O-N 3.22Å; F43-S45 PolarHBondContact O-N 3.15Å; F43-N46 PolarHBondContact O-N 3.2Å; F43-L47 HydrophobicContact CD1-CB 4.43Å; F43-L47 HydrophobicContact CD1-CD1 4.38Å; F43-L47 HydrophobicContact CE1-CB 4.21Å; F43-L47 HydrophobicContact CE1-CD1 3.68Å; F43-L47 HydrophobicContact CE1-CG 4.47Å; F43-L47 WeakPolarHBondContact O-CB 3.16Å; F43-L47 PolarHBondContact O-N 3.41Å; F43-I75 HydrophobicContact CD1-CD1 3.57Å; F43-I75 HydrophobicContact CD1-CG1 4.27Å; F43-I75 HydrophobicContact CD1-CG2 4.5Å; F43-I75 HydrophobicContact CE1-CD1 2.99Å; F43-I75 HydrophobicContact CE1-CG1 3.97Å; F43-I75 HydrophobicContact CZ-CD1 3.62Å; F43-I75 HydrophobicContact CZ-CG1 4.37Å
44K77.7Confident84.6Confident113 Ų11386.7 Ų86.749%0.49144%0.435SS..Hα-helixtrans-55.8-52.1174.7-178.5-179169.5-173.20110L40 E41 N46 L47 E48L40-K44 VanDerWaalsContact O-CB 3.32Å; L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 PolarHBondContact O-N 2.83Å; E41-K44 PolarHBondContact O-N 3.24Å; K44-N46 VanDerWaalsContact C-N 3.29Å; K44-N46 PolarHBondContact O-N 3.04Å; K44-L47 PolarHBondContact O-N 3.46Å; K44-L47 VanDerWaalsContact O-N 3.11Å; K44-E48 WeakPolarHBondContact CE-OE1 3.3Å; K44-E48 HydrophobicContact CG-CG 4.34Å; K44-E48 IonicContact NZ-OE1 3.87Å; K44-E48 WeakPolarHBondContact O-CB 3.46Å; K44-E48 VanDerWaalsContact O-CG 3.24Å; K44-E48 WeakPolarHBondContact O-CG 3.24Å; K44-E48 PolarHBondContact O-N 3.35Å
45S83.1Confident84.3Confident68 Ų6884.8 Ų84.848%0.47642%0.419SS..Hα-helixtrans-54.8-43.5176.8-173.40000112.6E41 T42 F43 E48 E49E41-S45 PolarHBondContact O-N 2.99Å; T42-S45 PolarHBondContact O-N 3Å; F43-S45 PolarHBondContact O-N 3.15Å; S45-E48 PolarHBondContact O-N 2.86Å; S45-E49 PolarHBondContact O-N 3.11Å
46N86.1Confident84.1Confident85 Ų8584.2 Ų84.246%0.45542%0.416SS..Hα-helixtrans-67.4-39.4178.9-66.5-16000112.2T42 F43 K44 E48 E49 F50T42-N46 PolarHBondContact O-N 3.37Å; T42-N46 PolarHBondContact O-ND2 3.48Å; T42-N46 PolarHBondContact O-OD1 3.29Å; F43-N46 PolarHBondContact O-N 3.2Å; K44-N46 VanDerWaalsContact C-N 3.29Å; K44-N46 PolarHBondContact O-N 3.04Å; N46-E48 VanDerWaalsContact C-N 3.31Å; N46-E49 PolarHBondContact O-N 3.29Å; N46-F50 VanDerWaalsContact O-CB 3.3Å; N46-F50 WeakPolarHBondContact O-CB 3.27Å; N46-F50 PolarHBondContact O-N 3Å
47L80.9Confident84.1Confident6 Ų683.1 Ų83.13%0.03141%0.41CS..Hα-helixtrans-68.4-35.7177-158.4154.1000110.3F43 K44 F50 A51 F68 M71 I75 W87F43-L47 HydrophobicContact CD1-CB 4.43Å; F43-L47 HydrophobicContact CD1-CD1 4.38Å; F43-L47 HydrophobicContact CE1-CB 4.21Å; F43-L47 HydrophobicContact CE1-CD1 3.68Å; F43-L47 HydrophobicContact CE1-CG 4.47Å; F43-L47 WeakPolarHBondContact O-CB 3.16Å; F43-L47 PolarHBondContact O-N 3.41Å; K44-L47 PolarHBondContact O-N 3.46Å; K44-L47 VanDerWaalsContact O-N 3.11Å; L47-F50 PolarHBondContact O-N 3.01Å; L47-A51 VanDerWaalsContact O-CB 3.27Å; L47-A51 WeakPolarHBondContact O-CB 3.48Å; L47-A51 PolarHBondContact O-N 2.97Å; L47-F68 HydrophobicContact CD2-CE2 3.55Å; L47-F68 HydrophobicContact CD2-CZ 3.74Å; L47-F68 HydrophobicContact CG-CE2 4.39Å; L47-M71 HydrophobicContact CD1-CG 4.33Å; L47-M71 HydrophobicContact CD1-SD 4.26Å; L47-I75 HydrophobicContact CD1-CD1 3.78Å; L47-W87 HydrophobicContact CB-CH2 3.92Å; L47-W87 HydrophobicContact CD2-CE3 4.19Å; L47-W87 HydrophobicContact CD2-CH2 3Å; L47-W87 HydrophobicContact CD2-CZ2 3.67Å; L47-W87 HydrophobicContact CD2-CZ3 3.3Å; L47-W87 HydrophobicContact CG-CH2 4Å
48E79.3Confident84.1Confident40 Ų4080.5 Ų80.519%0.18739%0.391CS..Hα-helixtrans-63.8-47175.1-71.3-172.6177.300110.9K44 S45 N46 A51 S52 F86 W87K44-E48 WeakPolarHBondContact CE-OE1 3.3Å; K44-E48 HydrophobicContact CG-CG 4.34Å; K44-E48 IonicContact NZ-OE1 3.87Å; K44-E48 WeakPolarHBondContact O-CB 3.46Å; K44-E48 VanDerWaalsContact O-CG 3.24Å; K44-E48 WeakPolarHBondContact O-CG 3.24Å; K44-E48 PolarHBondContact O-N 3.35Å; S45-E48 PolarHBondContact O-N 2.86Å; N46-E48 VanDerWaalsContact C-N 3.31Å; E48-A51 PolarHBondContact O-N 3.31Å; E48-S52 WeakPolarHBondContact O-CB 3.4Å; E48-S52 PolarHBondContact O-N 3.07Å; E48-F86 HydrophobicContact CB-CD1 4.26Å; E48-F86 HydrophobicContact CB-CE1 3.43Å; E48-F86 VanDerWaalsContact CB-CE1 3.43Å; E48-F86 HydrophobicContact CB-CE2 4.39Å; E48-F86 HydrophobicContact CB-CZ 3.49Å; E48-F86 VanDerWaalsContact CB-CZ 3.49Å; E48-F86 HydrophobicContact CG-CD1 3.49Å; E48-F86 VanDerWaalsContact CG-CD1 3.49Å; E48-F86 HydrophobicContact CG-CD2 4.48Å; E48-F86 HydrophobicContact CG-CE1 3.19Å; E48-F86 HydrophobicContact CG-CE2 4.2Å; E48-F86 HydrophobicContact CG-CG 4.16Å; E48-F86 HydrophobicContact CG-CZ 3.57Å; E48-F86 WeakPolarHBondContact OE1-CG 3.36Å; E48-W87 HydrophobicContact CB-CH2 4.15Å; E48-W87 HydrophobicContact CG-CH2 3.44Å; E48-W87 VanDerWaalsContact CG-CH2 3.44Å; E48-W87 HydrophobicContact CG-CZ2 3.91Å; E48-W87 HydrophobicContact CG-CZ3 4.08Å
49E85.8Confident83.8Confident127 Ų12777 Ų7759%0.59337%0.374SS*.Hα-helixtrans-61.6-48.3175-172.9-178.8172.600111.3S45 N46 A51 S52 K53S45-E49 PolarHBondContact O-N 3.11Å; N46-E49 PolarHBondContact O-N 3.29Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-A51 PolarHBondContact O-N 3.48Å; E49-S52 PolarHBondContact O-N 3.45Å; E49-S52 PolarHBondContact O-OG 3.44Å; E49-K53 WeakPolarHBondContact O-CB 3.41Å; E49-K53 PolarHBondContact O-N 3.29Å
50F85.3Confident83.8Confident67 Ų6778.8 Ų78.829%0.29438%0.38SS..Hα-helixtrans-55.4-50.1177.1179.1-93.9000111.3N46 L47 S52 K53 H54 F64 F68N46-F50 VanDerWaalsContact O-CB 3.3Å; N46-F50 WeakPolarHBondContact O-CB 3.27Å; N46-F50 PolarHBondContact O-N 3Å; L47-F50 PolarHBondContact O-N 3.01Å; F50-S52 VanDerWaalsContact C-N 3.31Å; F50-S52 PolarHBondContact O-N 3.38Å; F50-K53 PolarHBondContact O-N 3.41Å; F50-H54 AromaticContact CD2-CD2 3.64Å; F50-H54 AromaticContact CE2-CD2 3.54Å; F50-H54 AromaticContact CE2-NE2 3.79Å; F50-H54 AromaticContact CZ-CD2 3.92Å; F50-H54 PolarHBondContact O-CD2 3.47Å; F50-H54 VanDerWaalsContact O-CD2 3.25Å; F50-H54 PolarHBondContact O-N 2.86Å; F50-F64 HydrophobicContact CE1-CE1 4.47Å; F50-F64 AromaticContact CE1-CZ 3.88Å; F50-F64 HydrophobicContact CE1-CZ 3.88Å; F50-F64 HydrophobicContact CZ-CE2 4.23Å; F50-F64 AromaticContact CZ-CZ 3.63Å; F50-F64 HydrophobicContact CZ-CZ 3.63Å; F50-F68 HydrophobicContact CD1-CD2 4.17Å; F50-F68 HydrophobicContact CD1-CE2 4.27Å; F50-F68 HydrophobicContact CE1-CD2 4.06Å
51A82.8Confident84.1Confident0 Ų076.4 Ų76.40%037%0.371CS..Hα-helixtrans-67.3-35.5-177.600000112L47 E48 E49 K53 H54 K55 I58 F68 W87 L91L47-A51 VanDerWaalsContact O-CB 3.27Å; L47-A51 WeakPolarHBondContact O-CB 3.48Å; L47-A51 PolarHBondContact O-N 2.97Å; E48-A51 PolarHBondContact O-N 3.31Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-A51 PolarHBondContact O-N 3.48Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.28Å; A51-H54 CarbonylContact O-C 3.54Å; A51-H54 PolarHBondContact O-N 3.25Å; A51-K55 WeakPolarHBondContact O-CA 3.27Å; A51-K55 PolarHBondContact O-N 3.1Å; A51-I58 HydrophobicContact CB-CD1 4.23Å; A51-F68 HydrophobicContact CB-CE2 3.67Å; A51-F68 HydrophobicContact CB-CZ 3.69Å; A51-W87 HydrophobicContact CB-CE3 4.36Å; A51-W87 HydrophobicContact CB-CZ3 3.81Å; A51-L91 HydrophobicContact CB-CD1 3.55Å; A51-L91 HydrophobicContact CB-CD2 3.47Å; A51-L91 VanDerWaalsContact CB-CD2 3.47Å; A51-L91 HydrophobicContact CB-CG 4.06Å; A51-L91 WeakPolarHBondContact O-CD2 3.49Å
52S83.1Confident84.4Confident58 Ų5870.7 Ų70.741%0.40635%0.347SS..Hα-helixtrans-61.9-42.5174.579.70000111.9E48 E49 F50E48-S52 WeakPolarHBondContact O-CB 3.4Å; E48-S52 PolarHBondContact O-N 3.07Å; E49-S52 PolarHBondContact O-N 3.45Å; E49-S52 PolarHBondContact O-OG 3.44Å; F50-S52 VanDerWaalsContact C-N 3.31Å; F50-S52 PolarHBondContact O-N 3.38Å
53K89.8Confident84.6Confident165 Ų16574.1 Ų74.172%0.71736%0.357SS*.Hα-helixtrans-69.7-39.1179.9-172.3177.4-178.6-179.80112.2E49 F50 A51E49-K53 WeakPolarHBondContact O-CB 3.41Å; E49-K53 PolarHBondContact O-N 3.29Å; F50-K53 PolarHBondContact O-N 3.41Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.28Å
54H87.8Confident85.1Confident39 Ų3971.8 Ų71.818%0.18135%0.347CS..THydrogen-bonded Turntrans-100.414.7-176-64.4-83.9000113.6F50 A51 Q56 E57 I58 F64F50-H54 AromaticContact CD2-CD2 3.64Å; F50-H54 AromaticContact CE2-CD2 3.54Å; F50-H54 AromaticContact CE2-NE2 3.79Å; F50-H54 AromaticContact CZ-CD2 3.92Å; F50-H54 PolarHBondContact O-CD2 3.47Å; F50-H54 VanDerWaalsContact O-CD2 3.25Å; F50-H54 PolarHBondContact O-N 2.86Å; A51-H54 CarbonylContact O-C 3.54Å; A51-H54 PolarHBondContact O-N 3.25Å; H54-Q56 VanDerWaalsContact C-N 3.27Å; H54-Q56 PolarHBondContact O-N 2.85Å; H54-Q56 VanDerWaalsContact O-N 3.11Å; H54-E57 HydrophobicContact CB-CB 4.5Å; H54-E57 IonicContact CE1-OE2 3.99Å; H54-E57 IonicContact CG-OE2 3.62Å; H54-E57 IonicContact ND1-OE1 3.59Å; H54-E57 IonicContact ND1-OE2 3.81Å; H54-E57 PolarHBondContact ND1-OE2 3.4Å; H54-E57 WeakPolarHBondContact O-CB 3.42Å; H54-E57 PolarHBondContact O-N 3.46Å; H54-I58 WeakPolarHBondContact O-CG1 3.48Å; H54-I58 PolarHBondContact O-N 2.95Å; H54-F64 HydrophobicContact CB-CE1 3.68Å; H54-F64 HydrophobicContact CB-CZ 3.83Å
55K84.6Confident85.7Confident59 Ų5966.5 Ų66.526%0.25732%0.324SS..Hα-helixtrans-50.1-42.6-176.2178.9175178.2167.30113.9A51 R59 M90 L91A51-K55 WeakPolarHBondContact O-CA 3.27Å; A51-K55 PolarHBondContact O-N 3.1Å; K55-R59 VanDerWaalsContact CE-CZ 3.42Å; K55-R59 VanDerWaalsContact CE-NH2 3.26Å; K55-R59 WeakPolarHBondContact O-CG 3.5Å; K55-R59 PolarHBondContact O-N 2.88Å; K55-R59 VanDerWaalsContact O-N 3.08Å; K55-M90 WeakPolarHBondContact CD-O 2.97Å; K55-M90 WeakPolarHBondContact CE-O 3.44Å; K55-M90 PolarHBondContact NZ-O 2.74Å; K55-L91 HydrophobicContact CB-CD2 4.38Å; K55-L91 HydrophobicContact CG-CD2 4.46Å
56Q85.3Confident85.9Confident108 Ų10864.7 Ų64.751%0.50531%0.31SS..Hα-helixtrans-72.9-32.9-179.3-63.1-60.9-2500112.6H54 R59 K60H54-Q56 VanDerWaalsContact C-N 3.27Å; H54-Q56 PolarHBondContact O-N 2.85Å; H54-Q56 VanDerWaalsContact O-N 3.11Å; Q56-R59 PolarHBondContact O-N 2.88Å; Q56-K60 WeakPolarHBondContact O-CB 3.5Å; Q56-K60 WeakPolarHBondContact O-CG 3.16Å; Q56-K60 PolarHBondContact O-N 2.92Å
57E87.6Confident86Confident97 Ų9766 Ų6645%0.45331%0.313SS..Hα-helixtrans-69.8-42.1176.4-66.3173-166.500110.5H54 R59 K60 S61 F64H54-E57 HydrophobicContact CB-CB 4.5Å; H54-E57 IonicContact CE1-OE2 3.99Å; H54-E57 IonicContact CG-OE2 3.62Å; H54-E57 IonicContact ND1-OE1 3.59Å; H54-E57 IonicContact ND1-OE2 3.81Å; H54-E57 PolarHBondContact ND1-OE2 3.4Å; H54-E57 WeakPolarHBondContact O-CB 3.42Å; H54-E57 PolarHBondContact O-N 3.46Å; E57-R59 VanDerWaalsContact C-N 3.28Å; E57-R59 PolarHBondContact O-N 2.99Å; E57-K60 PolarHBondContact O-N 2.69Å; E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 3.22Å; E57-F64 HydrophobicContact CB-CD1 3.79Å; E57-F64 HydrophobicContact CB-CE1 3.91Å; E57-F64 HydrophobicContact CB-CG 4.42Å
58I85.6Confident86.3Confident1 Ų165.9 Ų65.91%0.00531%0.313CS..Hα-helixtrans-57.7-43.7171.3-60.5174.3000109.4A51 H54 F64 R65 F68 L91 V93A51-I58 HydrophobicContact CB-CD1 4.23Å; H54-I58 WeakPolarHBondContact O-CG1 3.48Å; H54-I58 PolarHBondContact O-N 2.95Å; I58-F64 HydrophobicContact CB-CD1 4.4Å; I58-F64 HydrophobicContact CD1-CE1 4.42Å; I58-F64 HydrophobicContact CG1-CD1 3.68Å; I58-F64 HydrophobicContact CG1-CE1 3.52Å; I58-R65 HydrophobicContact CG2-CG 3.87Å; I58-R65 WeakPolarHBondContact O-CD 3.3Å; I58-R65 WeakPolarHBondContact O-CG 3.48Å; I58-R65 PolarHBondContact O-NH1 3.14Å; I58-F68 HydrophobicContact CD1-CD1 4.01Å; I58-F68 HydrophobicContact CD1-CD2 4.01Å; I58-F68 HydrophobicContact CD1-CE1 4.14Å; I58-F68 HydrophobicContact CD1-CE2 4.14Å; I58-F68 HydrophobicContact CD1-CG 3.93Å; I58-F68 HydrophobicContact CD1-CZ 4.21Å; I58-F68 HydrophobicContact CG1-CG 4.41Å; I58-F68 HydrophobicContact CG2-CD1 4.48Å; I58-L91 HydrophobicContact CD1-CD1 4.39Å; I58-V93 HydrophobicContact CG2-CG1 3.87Å
59R82.3Confident86.5Confident71 Ų7164.1 Ų64.127%0.26831%0.305SS..Hα-helixtrans-70.1-38.4-179.6-75.1175.2177.6-157.2-6.7113.9K55 Q56 E57 R65 L91 Q137K55-R59 VanDerWaalsContact CE-CZ 3.42Å; K55-R59 VanDerWaalsContact CE-NH2 3.26Å; K55-R59 WeakPolarHBondContact O-CG 3.5Å; K55-R59 PolarHBondContact O-N 2.88Å; K55-R59 VanDerWaalsContact O-N 3.08Å; Q56-R59 PolarHBondContact O-N 2.88Å; E57-R59 VanDerWaalsContact C-N 3.28Å; E57-R59 PolarHBondContact O-N 2.99Å; R59-R65 PolarHBondContact O-NH1 3.25Å; R59-R65 VanDerWaalsContact O-NH1 3.07Å; R59-L91 VanDerWaalsContact CZ-O 3.3Å; R59-L91 PolarHBondContact NE-O 3.43Å; R59-L91 PolarHBondContact NH2-O 3.08Å; R59-Q137 WeakPolarHBondContact O-CG 3.36Å
60K84.4Confident86.5Confident156 Ų15663.3 Ų63.368%0.67830%0.301SS*.Hα-helixtrans-88.5-36.7-172.1-71.9-178.5178.9-176.90114Q56 E57Q56-K60 WeakPolarHBondContact O-CB 3.5Å; Q56-K60 WeakPolarHBondContact O-CG 3.16Å; Q56-K60 PolarHBondContact O-N 2.92Å; E57-K60 PolarHBondContact O-N 2.69Å
61S87.8Confident86.5Confident46 Ų4663.7 Ų63.732%0.32230%0.304SS..  trans-104.2113.5-173176.40000110.9E57 Q63 F64 R65E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 3.22Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 3.39Å; S61-F64 PolarHBondContact O-N 3.48Å; S61-F64 PolarHBondContact OG-N 3.43Å; S61-R65 WeakPolarHBondContact O-CG 3.41Å; S61-R65 PolarHBondContact O-N 3.45Å; S61-R65 VanDerWaalsContact O-N 3.11Å
62S88.9Confident86.5Confident18 Ų1863.7 Ų63.713%0.12630%0.304CS..Hα-helixtrans-58.2-44.1173.5530000111.9F64 R65 V66 D138S62-F64 VanDerWaalsContact C-N 3.34Å; S62-F64 PolarHBondContact O-N 3.26Å; S62-R65 WeakPolarHBondContact O-CB 3.42Å; S62-R65 PolarHBondContact O-N 3.34Å; S62-V66 WeakPolarHBondContact O-CG2 3.35Å; S62-V66 PolarHBondContact O-N 2.94Å; S62-D138 WeakPolarHBondContact CB-OD2 3.42Å; S62-D138 PolarHBondContact OG-OD2 2.95Å
63Q89.6Confident86.6Confident146 Ų14664.1 Ų64.168%0.68231%0.311SS*.Hα-helixtrans-59.5-42.5177.1-67.7-173.9-6.800113S61 R65 V66 Q67S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 3.39Å; Q63-R65 VanDerWaalsContact C-N 3.34Å; Q63-R65 PolarHBondContact O-N 3.35Å; Q63-V66 PolarHBondContact O-N 3.47Å; Q63-Q67 PolarHBondContact O-N 2.94Å
64F89.9Confident86.2Confident37 Ų3762.3 Ų62.316%0.16231%0.314CS..Hα-helixtrans-69.1-33.8179.7-169.4-107.7000111.9F50 H54 E57 I58 S61 S62 Q67 F68F50-F64 HydrophobicContact CE1-CE1 4.47Å; F50-F64 AromaticContact CE1-CZ 3.88Å; F50-F64 HydrophobicContact CE1-CZ 3.88Å; F50-F64 HydrophobicContact CZ-CE2 4.23Å; F50-F64 AromaticContact CZ-CZ 3.63Å; F50-F64 HydrophobicContact CZ-CZ 3.63Å; H54-F64 HydrophobicContact CB-CE1 3.68Å; H54-F64 HydrophobicContact CB-CZ 3.83Å; E57-F64 HydrophobicContact CB-CD1 3.79Å; E57-F64 HydrophobicContact CB-CE1 3.91Å; E57-F64 HydrophobicContact CB-CG 4.42Å; I58-F64 HydrophobicContact CB-CD1 4.4Å; I58-F64 HydrophobicContact CD1-CE1 4.42Å; I58-F64 HydrophobicContact CG1-CD1 3.68Å; I58-F64 HydrophobicContact CG1-CE1 3.52Å; S61-F64 PolarHBondContact O-N 3.48Å; S61-F64 PolarHBondContact OG-N 3.43Å; S62-F64 VanDerWaalsContact C-N 3.34Å; S62-F64 PolarHBondContact O-N 3.26Å; F64-Q67 PolarHBondContact O-N 3.49Å; F64-F68 WeakPolarHBondContact O-CB 3.45Å; F64-F68 PolarHBondContact O-N 3.06Å
65R89.3Confident85.7Confident3 Ų363 Ų631%0.01132%0.319CS..Hα-helixtrans-59.8-45.4172-69.8-165.1-63.5-96.8-0.7112.4I58 R59 S61 S62 Q63 Q67 F68 Q69 D138 D143I58-R65 HydrophobicContact CG2-CG 3.87Å; I58-R65 WeakPolarHBondContact O-CD 3.3Å; I58-R65 WeakPolarHBondContact O-CG 3.48Å; I58-R65 PolarHBondContact O-NH1 3.14Å; R59-R65 PolarHBondContact O-NH1 3.25Å; R59-R65 VanDerWaalsContact O-NH1 3.07Å; S61-R65 WeakPolarHBondContact O-CG 3.41Å; S61-R65 PolarHBondContact O-N 3.45Å; S61-R65 VanDerWaalsContact O-N 3.11Å; S62-R65 WeakPolarHBondContact O-CB 3.42Å; S62-R65 PolarHBondContact O-N 3.34Å; Q63-R65 VanDerWaalsContact C-N 3.34Å; Q63-R65 PolarHBondContact O-N 3.35Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 3.45Å; R65-F68 PolarHBondContact O-N 3.2Å; R65-Q69 VanDerWaalsContact O-CG 3.28Å; R65-Q69 WeakPolarHBondContact O-CG 3.07Å; R65-Q69 PolarHBondContact O-N 2.91Å; R65-D138 PolarHBondContact NH1-O 2.75Å; R65-D138 PolarHBondContact NH2-O 3.23Å; R65-D143 IonicContact CZ-OD1 2.69Å; R65-D143 IonicContact CZ-OD2 4Å; R65-D143 IonicContact NE-OD1 3.14Å; R65-D143 PolarHBondContact NE-OD1 2.86Å; R65-D143 IonicContact NE-OD2 3.26Å; R65-D143 IonicContact NH2-OD1 3.04Å; R65-D143 IonicContact NH2-OD2 3.67Å; R65-D143 PolarHBondContact NH2-OD2 3.4Å
66V87.5Confident85.3Confident29 Ų2963.5 Ų63.518%0.17634%0.341CS..Hα-helixtrans-57.5-51.4180177.90000109.8S62 Q63 F68 Q69 E70 D142S62-V66 WeakPolarHBondContact O-CG2 3.35Å; S62-V66 PolarHBondContact O-N 2.94Å; Q63-V66 PolarHBondContact O-N 3.47Å; V66-F68 PolarHBondContact O-N 3.06Å; V66-Q69 PolarHBondContact O-N 2.69Å; V66-Q69 VanDerWaalsContact O-N 3.14Å; V66-E70 HydrophobicContact CG1-CG 4.48Å; V66-E70 WeakPolarHBondContact O-CG 3.28Å; V66-E70 PolarHBondContact O-N 3.12Å; V66-D142 HydrophobicContact CG2-CB 4.19Å
67Q88.6Confident85Confident113 Ų11360.4 Ų60.453%0.52833%0.329SS..Hα-helixtrans-60.7-44.6179.4-67.1175-8.300112.6Q63 F64 R65 Q69 E70 M71Q63-Q67 PolarHBondContact O-N 2.94Å; F64-Q67 PolarHBondContact O-N 3.49Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 3.45Å; Q67-Q69 VanDerWaalsContact C-N 3.25Å; Q67-Q69 PolarHBondContact O-N 2.88Å; Q67-E70 PolarHBondContact O-N 2.62Å; Q67-M71 PolarHBondContact O-N 2.96Å; Q67-M71 VanDerWaalsContact O-N 3.07Å
68F86.9Confident84.4Confident3 Ų359.3 Ų59.31%0.01333%0.326CS..Hα-helixtrans-58.6-40.8176.5174.3-107.8000111.4L47 F50 A51 I58 F64 R65 V66 M71 C72 P79 W87 L91L47-F68 HydrophobicContact CD2-CE2 3.55Å; L47-F68 HydrophobicContact CD2-CZ 3.74Å; L47-F68 HydrophobicContact CG-CE2 4.39Å; F50-F68 HydrophobicContact CD1-CD2 4.17Å; F50-F68 HydrophobicContact CD1-CE2 4.27Å; F50-F68 HydrophobicContact CE1-CD2 4.06Å; A51-F68 HydrophobicContact CB-CE2 3.67Å; A51-F68 HydrophobicContact CB-CZ 3.69Å; I58-F68 HydrophobicContact CD1-CD1 4.01Å; I58-F68 HydrophobicContact CD1-CD2 4.01Å; I58-F68 HydrophobicContact CD1-CE1 4.14Å; I58-F68 HydrophobicContact CD1-CE2 4.14Å; I58-F68 HydrophobicContact CD1-CG 3.93Å; I58-F68 HydrophobicContact CD1-CZ 4.21Å; I58-F68 HydrophobicContact CG1-CG 4.41Å; I58-F68 HydrophobicContact CG2-CD1 4.48Å; F64-F68 WeakPolarHBondContact O-CB 3.45Å; F64-F68 PolarHBondContact O-N 3.06Å; R65-F68 PolarHBondContact O-N 3.2Å; V66-F68 PolarHBondContact O-N 3.06Å; F68-M71 WeakPolarHBondContact O-CB 3.43Å; F68-M71 PolarHBondContact O-N 3.33Å; F68-C72 PolarHBondContact O-N 3.02Å; F68-C72 VanDerWaalsContact O-N 3.1Å; F68-C72 PolarHBondContact O-SG 3.19Å; F68-P79 HydrophobicContact CE1-CB 4.49Å; F68-W87 HydrophobicContact CZ-CE3 4.24Å; F68-W87 HydrophobicContact CZ-CZ3 4.26Å; F68-L91 HydrophobicContact CE1-CD1 3.89Å; F68-L91 HydrophobicContact CZ-CD1 3.76Å
69Q84.2Confident83.9Confident4 Ų459.7 Ų59.72%0.01933%0.329CS..Hα-helixtrans-77.7-32.9-178.8-67.2-175.526.900114R65 V66 Q67 M71 C72 A73 P79 Y97 R146R65-Q69 VanDerWaalsContact O-CG 3.28Å; R65-Q69 WeakPolarHBondContact O-CG 3.07Å; R65-Q69 PolarHBondContact O-N 2.91Å; V66-Q69 PolarHBondContact O-N 2.69Å; V66-Q69 VanDerWaalsContact O-N 3.14Å; Q67-Q69 VanDerWaalsContact C-N 3.25Å; Q67-Q69 PolarHBondContact O-N 2.88Å; Q69-M71 VanDerWaalsContact C-N 3.25Å; Q69-M71 PolarHBondContact O-N 2.95Å; Q69-C72 PolarHBondContact O-N 2.85Å; Q69-A73 WeakPolarHBondContact O-CB 3.42Å; Q69-A73 PolarHBondContact O-N 3.36Å; Q69-P79 HydrophobicContact CG-CG 4.22Å; Q69-Y97 VanDerWaalsContact NE2-CE2 3.35Å; Q69-Y97 PolarHBondContact NE2-OH 3.39Å; Q69-R146 VanDerWaalsContact CB-NH1 3.27Å
70E86.4Confident83.4Confident110 Ų11056.9 Ų56.951%0.51432%0.319SS..Hα-helixtrans-59.8-40.3170-74.1175.5171.500111.1V66 Q67 A73 T74V66-E70 HydrophobicContact CG1-CG 4.48Å; V66-E70 WeakPolarHBondContact O-CG 3.28Å; V66-E70 PolarHBondContact O-N 3.12Å; Q67-E70 PolarHBondContact O-N 2.62Å; E70-A73 PolarHBondContact O-N 3.16Å; E70-T74 PolarHBondContact O-N 3.18Å; E70-T74 PolarHBondContact O-OG1 3.3Å
71M84.3Confident82.7Confident75 Ų7552.9 Ų52.937%0.36932%0.315SS..Hα-helixtrans-59.7-52172.7-170.2-173.3-55.600110.9L47 Q67 F68 Q69 A73 T74 I75L47-M71 HydrophobicContact CD1-CG 4.33Å; L47-M71 HydrophobicContact CD1-SD 4.26Å; Q67-M71 PolarHBondContact O-N 2.96Å; Q67-M71 VanDerWaalsContact O-N 3.07Å; F68-M71 WeakPolarHBondContact O-CB 3.43Å; F68-M71 PolarHBondContact O-N 3.33Å; Q69-M71 VanDerWaalsContact C-N 3.25Å; Q69-M71 PolarHBondContact O-N 2.95Å; M71-A73 VanDerWaalsContact C-N 3.34Å; M71-A73 PolarHBondContact O-N 2.79Å; M71-T74 PolarHBondContact O-N 2.97Å; M71-I75 HydrophobicContact CG-CD1 4.48Å; M71-I75 WeakPolarHBondContact O-CD1 3.12Å
72C83.6Confident81.3Confident0 Ų053.5 Ų53.50%032%0.319CS..Hα-helixtrans-56.3-45.7177.1-66.10000112.4F68 Q69 T74 I75 G76 V77 P79F68-C72 PolarHBondContact O-N 3.02Å; F68-C72 VanDerWaalsContact O-N 3.1Å; F68-C72 PolarHBondContact O-SG 3.19Å; Q69-C72 PolarHBondContact O-N 2.85Å; C72-T74 PolarHBondContact O-N 3.38Å; C72-I75 PolarHBondContact O-N 3.5Å; C72-G76 PolarHBondContact O-N 3.11Å; C72-V77 CarbonylContact C-O 3.56Å; C72-V77 HydrophobicContact CB-CB 4.44Å; C72-V77 VanDerWaalsContact CB-O 3.27Å; C72-V77 WeakPolarHBondContact CB-O 3.45Å; C72-V77 PolarHBondContact O-N 2.88Å; C72-P79 HydrophobicContact CB-CG 4.25Å
73A83.9Confident79.9Confident67 Ų6754.5 Ų54.555%0.55433%0.332SS*.Hα-helixtrans-64.6-37.2-178.800000112.9Q69 E70 M71 I75 G76Q69-A73 WeakPolarHBondContact O-CB 3.42Å; Q69-A73 PolarHBondContact O-N 3.36Å; E70-A73 PolarHBondContact O-N 3.16Å; M71-A73 VanDerWaalsContact C-N 3.34Å; M71-A73 PolarHBondContact O-N 2.79Å; A73-I75 PolarHBondContact O-N 3.2Å; A73-I75 VanDerWaalsContact O-N 3.15Å; A73-G76 PolarHBondContact O-N 3.32Å
74T83.1Confident78.3Confident126 Ų12656.7 Ų56.777%0.77334%0.34SS*.Hα-helixtrans-58.7-27.5177.7-590000112.3E70 M71 C72E70-T74 PolarHBondContact O-N 3.18Å; E70-T74 PolarHBondContact O-OG1 3.3Å; M71-T74 PolarHBondContact O-N 2.97Å; C72-T74 PolarHBondContact O-N 3.38Å
75I76.4Confident77.1Confident54 Ų5455.9 Ų55.928%0.27734%0.342SS..Hα-helixtrans-97.3-8.9-178.1-54.1144.2000111.3L40 F43 L47 M71 C72 A73 V77L40-I75 HydrophobicContact CD2-CG2 4.01Å; F43-I75 HydrophobicContact CD1-CD1 3.57Å; F43-I75 HydrophobicContact CD1-CG1 4.27Å; F43-I75 HydrophobicContact CD1-CG2 4.5Å; F43-I75 HydrophobicContact CE1-CD1 2.99Å; F43-I75 HydrophobicContact CE1-CG1 3.97Å; F43-I75 HydrophobicContact CZ-CD1 3.62Å; F43-I75 HydrophobicContact CZ-CG1 4.37Å; L47-I75 HydrophobicContact CD1-CD1 3.78Å; M71-I75 HydrophobicContact CG-CD1 4.48Å; M71-I75 WeakPolarHBondContact O-CD1 3.12Å; C72-I75 PolarHBondContact O-N 3.5Å; A73-I75 PolarHBondContact O-N 3.2Å; A73-I75 VanDerWaalsContact O-N 3.15Å; I75-V77 HydrophobicContact CB-CG2 4.38Å; I75-V77 HydrophobicContact CG2-CG2 4.12Å
76G75.8Confident75.9Confident70 Ų7058.8 Ų58.872%0.72236%0.355SS*.THydrogen-bonded Turntrans79.621.3-172.700000113.5C72 A73C72-G76 PolarHBondContact O-N 3.11Å; A73-G76 PolarHBondContact O-N 3.32Å
77V78.3Confident75Confident42 Ų4258.4 Ų58.426%0.25535%0.35SS..  trans-95.5124.2171.9-179.20000108.8C72 I75 P79 W87C72-V77 CarbonylContact C-O 3.56Å; C72-V77 HydrophobicContact CB-CB 4.44Å; C72-V77 VanDerWaalsContact CB-O 3.27Å; C72-V77 WeakPolarHBondContact CB-O 3.45Å; C72-V77 PolarHBondContact O-N 2.88Å; I75-V77 HydrophobicContact CB-CG2 4.38Å; I75-V77 HydrophobicContact CG2-CG2 4.12Å; V77-P79 WeakPolarHBondContact O-CD 3.27Å; V77-W87 HydrophobicContact CG1-CZ2 4.29Å; V77-W87 VanDerWaalsContact CG1-NE1 3.33Å
78D75.5Confident74Confident74 Ų7453.3 Ų53.340%0.39633%0.327SS..  trans-103.1106.8172.1178.4-0.6000109.5L80 A81 K150D78-L80 PolarHBondContact O-N 2.97Å; D78-L80 WeakPolarHBondContact OD1-CA 2.76Å; D78-L80 WeakPolarHBondContact OD1-CB 3.37Å; D78-L80 PolarHBondContact OD1-N 3.33Å; D78-A81 HydrophobicContact CB-CB 3.93Å; D78-A81 WeakPolarHBondContact O-CB 3.4Å; D78-A81 PolarHBondContact O-N 2.96Å; D78-A81 PolarHBondContact OD1-N 3.39Å; D78-K150 IonicContact OD1-NZ 2.76Å; D78-K150 IonicContact OD2-NZ 3.12Å; D78-K150 PolarHBondContact OD2-NZ 3.1Å
79P74.5Confident73Confident9 Ų960.8 Ų60.86%0.05836%0.362CS..THydrogen-bonded Turntrans-66.5-9.5-178.427.8-32.7000113F68 Q69 C72 V77 W87 V93F68-P79 HydrophobicContact CE1-CB 4.49Å; Q69-P79 HydrophobicContact CG-CG 4.22Å; C72-P79 HydrophobicContact CB-CG 4.25Å; V77-P79 WeakPolarHBondContact O-CD 3.27Å; P79-W87 HydrophobicContact CB-CB 3.88Å; P79-W87 HydrophobicContact CB-CG 4.02Å; P79-W87 WeakPolarHBondContact O-CB 3.41Å; P79-V93 HydrophobicContact CB-CG2 4.39Å
80L73.1Confident72Confident12 Ų1264.3 Ų64.36%0.06338%0.379CS..THydrogen-bonded Turntrans-113.210.5-178-52.3-179.9000112.7D78 V93 Y97 K150D78-L80 PolarHBondContact O-N 2.97Å; D78-L80 WeakPolarHBondContact OD1-CA 2.76Å; D78-L80 WeakPolarHBondContact OD1-CB 3.37Å; D78-L80 PolarHBondContact OD1-N 3.33Å; L80-V93 HydrophobicContact CD2-CB 4.11Å; L80-V93 HydrophobicContact CD2-CG2 4.04Å; L80-Y97 HydrophobicContact CD1-CD1 4.14Å; L80-Y97 HydrophobicContact CD1-CD2 3.39Å; L80-Y97 HydrophobicContact CD1-CE1 4.34Å; L80-Y97 HydrophobicContact CD1-CE2 3.6Å; L80-Y97 HydrophobicContact CD1-CG 3.69Å; L80-Y97 HydrophobicContact CD2-CD2 3.24Å; L80-Y97 HydrophobicContact CD2-CE2 3.75Å; L80-Y97 HydrophobicContact CD2-CG 4.09Å; L80-Y97 HydrophobicContact CG-CD2 3.92Å; L80-Y97 HydrophobicContact CG-CE2 4.23Å; L80-K150 VanDerWaalsContact CB-CE 3.48Å; L80-K150 PolarHBondContact O-NZ 3.17Å
81A68.8Low71Confident72 Ų7259.1 Ų59.160%0.59536%0.355SS*.SBendtrans-71.1-29.4-178.300000113.5D78D78-A81 HydrophobicContact CB-CB 3.93Å; D78-A81 WeakPolarHBondContact O-CB 3.4Å; D78-A81 PolarHBondContact O-N 2.96Å; D78-A81 PolarHBondContact OD1-N 3.39Å
82S59.2Low70.3Confident59 Ų5956 Ų5641%0.41334%0.342SS..  trans-147.8132.3-176.8179.50000112.3K84 G85 S88S82-K84 PolarHBondContact O-N 3.11Å; S82-K84 PolarHBondContact OG-N 2.9Å; S82-K84 VanDerWaalsContact OG-N 3.16Å; S82-G85 PolarHBondContact O-N 3.31Å; S82-G85 PolarHBondContact OG-N 2.68Å; S82-S88 VanDerWaalsContact O-CB 3.3Å; S82-S88 WeakPolarHBondContact O-CB 3.37Å
83G58.4Low69.8Low39 Ų3956.3 Ų56.340%0.40234%0.344SS..THydrogen-bonded Turntrans-65.5-19.8170.500000113.6Y98G83-Y98 PolarHBondContact N-OH 2.73Å
84K57.7Low69.6Low193 Ų19353.2 Ų53.284%0.83932%0.318SS*.THydrogen-bonded Turntrans-98.48.6169.6-65.7-171.9179.7-177.90112.9S82S82-K84 PolarHBondContact O-N 3.11Å; S82-K84 PolarHBondContact OG-N 2.9Å; S82-K84 VanDerWaalsContact OG-N 3.16Å
85G63.9Low69.6Low20 Ų2052.2 Ų52.221%0.20631%0.308CS..SBendtrans-74.9146.9174.100000110.1S82 W87 S88 E89S82-G85 PolarHBondContact O-N 3.31Å; S82-G85 PolarHBondContact OG-N 2.68Å; G85-W87 PolarHBondContact O-N 3.02Å; G85-S88 PolarHBondContact O-N 3.35Å; G85-E89 PolarHBondContact O-N 3.3Å
86F64.4Low70.1Confident64 Ų6450.2 Ų50.228%0.28130%0.297SS..Hα-helixtrans-43.3-43174.8176.2-86.5000112.1E48 M90E48-F86 HydrophobicContact CB-CD1 4.26Å; E48-F86 HydrophobicContact CB-CE1 3.43Å; E48-F86 VanDerWaalsContact CB-CE1 3.43Å; E48-F86 HydrophobicContact CB-CE2 4.39Å; E48-F86 HydrophobicContact CB-CZ 3.49Å; E48-F86 VanDerWaalsContact CB-CZ 3.49Å; E48-F86 HydrophobicContact CG-CD1 3.49Å; E48-F86 VanDerWaalsContact CG-CD1 3.49Å; E48-F86 HydrophobicContact CG-CD2 4.48Å; E48-F86 HydrophobicContact CG-CE1 3.19Å; E48-F86 HydrophobicContact CG-CE2 4.2Å; E48-F86 HydrophobicContact CG-CG 4.16Å; E48-F86 HydrophobicContact CG-CZ 3.57Å; E48-F86 WeakPolarHBondContact OE1-CG 3.36Å; F86-M90 HydrophobicContact CD1-CB 4.3Å; F86-M90 HydrophobicContact CE1-CB 3.91Å; F86-M90 HydrophobicContact CE1-CG 4.02Å; F86-M90 HydrophobicContact CE2-CB 4.42Å; F86-M90 HydrophobicContact CE2-CE 3.74Å; F86-M90 HydrophobicContact CZ-CB 4Å; F86-M90 HydrophobicContact CZ-CE 3.68Å; F86-M90 HydrophobicContact CZ-CG 3.83Å; F86-M90 WeakPolarHBondContact O-CB 3.3Å; F86-M90 PolarHBondContact O-N 3.41Å
87W67.1Low70.7Confident21 Ų2147.1 Ų47.18%0.0826%0.264CS..Hα-helixtrans-64.4-41.8-178.6-53.4113.4000113.8L47 E48 A51 F68 V77 P79 G85 L91 V93L47-W87 HydrophobicContact CB-CH2 3.92Å; L47-W87 HydrophobicContact CD2-CE3 4.19Å; L47-W87 HydrophobicContact CD2-CH2 3Å; L47-W87 HydrophobicContact CD2-CZ2 3.67Å; L47-W87 HydrophobicContact CD2-CZ3 3.3Å; L47-W87 HydrophobicContact CG-CH2 4Å; E48-W87 HydrophobicContact CB-CH2 4.15Å; E48-W87 HydrophobicContact CG-CH2 3.44Å; E48-W87 VanDerWaalsContact CG-CH2 3.44Å; E48-W87 HydrophobicContact CG-CZ2 3.91Å; E48-W87 HydrophobicContact CG-CZ3 4.08Å; A51-W87 HydrophobicContact CB-CE3 4.36Å; A51-W87 HydrophobicContact CB-CZ3 3.81Å; F68-W87 HydrophobicContact CZ-CE3 4.24Å; F68-W87 HydrophobicContact CZ-CZ3 4.26Å; V77-W87 HydrophobicContact CG1-CZ2 4.29Å; V77-W87 VanDerWaalsContact CG1-NE1 3.33Å; P79-W87 HydrophobicContact CB-CB 3.88Å; P79-W87 HydrophobicContact CB-CG 4.02Å; P79-W87 WeakPolarHBondContact O-CB 3.41Å; G85-W87 PolarHBondContact O-N 3.02Å; W87-L91 HydrophobicContact CE3-CD1 3.75Å; W87-L91 HydrophobicContact CZ3-CD1 4.42Å; W87-L91 WeakPolarHBondContact O-CB 3.21Å; W87-L91 PolarHBondContact O-N 2.57Å; W87-V93 HydrophobicContact CB-CG2 4.43Å; W87-V93 WeakPolarHBondContact O-CG2 3.19Å
88S68.2Low71.1Confident5 Ų550.2 Ų50.24%0.03527%0.272CS..Hα-helixtrans-68.9-46.7179.2-169.50000110.8S82 G85 G92 G94S82-S88 VanDerWaalsContact O-CB 3.3Å; S82-S88 WeakPolarHBondContact O-CB 3.37Å; G85-S88 PolarHBondContact O-N 3.35Å; S88-G92 WeakPolarHBondContact O-CA 3.21Å; S88-G92 PolarHBondContact O-N 3.04Å; S88-G94 WeakPolarHBondContact OG-CA 3.48Å
89E66Low71.7Confident161 Ų16151.6 Ų51.675%0.75228%0.276SS*.Hα-helixtrans-71.3-43-177.4-167.6172-171.400112.4G85G85-E89 PolarHBondContact O-N 3.3Å
90M63.3Low72.6Confident78 Ų7851.1 Ų51.138%0.38427%0.273SS..Hα-helixtrans-76.4-40.5-177.7-171.763.790.400112.2K55 F86K55-M90 WeakPolarHBondContact CD-O 2.97Å; K55-M90 WeakPolarHBondContact CE-O 3.44Å; K55-M90 PolarHBondContact NZ-O 2.74Å; F86-M90 HydrophobicContact CD1-CB 4.3Å; F86-M90 HydrophobicContact CE1-CB 3.91Å; F86-M90 HydrophobicContact CE1-CG 4.02Å; F86-M90 HydrophobicContact CE2-CB 4.42Å; F86-M90 HydrophobicContact CE2-CE 3.74Å; F86-M90 HydrophobicContact CZ-CB 4Å; F86-M90 HydrophobicContact CZ-CE 3.68Å; F86-M90 HydrophobicContact CZ-CG 3.83Å; F86-M90 WeakPolarHBondContact O-CB 3.3Å; F86-M90 PolarHBondContact O-N 3.41Å
91L64.9Low73.5Confident1 Ų150.7 Ų50.71%0.00527%0.272CS..Hα-helixtrans-102.7-20.8-172-50.2175.3000113.6A51 K55 I58 R59 F68 W87 V93A51-L91 HydrophobicContact CB-CD1 3.55Å; A51-L91 HydrophobicContact CB-CD2 3.47Å; A51-L91 VanDerWaalsContact CB-CD2 3.47Å; A51-L91 HydrophobicContact CB-CG 4.06Å; A51-L91 WeakPolarHBondContact O-CD2 3.49Å; K55-L91 HydrophobicContact CB-CD2 4.38Å; K55-L91 HydrophobicContact CG-CD2 4.46Å; I58-L91 HydrophobicContact CD1-CD1 4.39Å; R59-L91 VanDerWaalsContact CZ-O 3.3Å; R59-L91 PolarHBondContact NE-O 3.43Å; R59-L91 PolarHBondContact NH2-O 3.08Å; F68-L91 HydrophobicContact CE1-CD1 3.89Å; F68-L91 HydrophobicContact CZ-CD1 3.76Å; W87-L91 HydrophobicContact CE3-CD1 3.75Å; W87-L91 HydrophobicContact CZ3-CD1 4.42Å; W87-L91 WeakPolarHBondContact O-CB 3.21Å; W87-L91 PolarHBondContact O-N 2.57Å; L91-V93 HydrophobicContact CB-CB 4.48Å; L91-V93 HydrophobicContact CB-CG1 3.82Å; L91-V93 HydrophobicContact CB-CG2 4.17Å; L91-V93 HydrophobicContact CD1-CG1 4.33Å; L91-V93 HydrophobicContact CD1-CG2 4.45Å; L91-V93 PolarHBondContact O-N 2.69Å
92G70.6Confident74.6Confident9 Ų950.9 Ų50.99%0.09327%0.265CS..  trans63.222.1-17000000113.1S88 G94 F96S88-G92 WeakPolarHBondContact O-CA 3.21Å; S88-G92 PolarHBondContact O-N 3.04Å; G92-G94 VanDerWaalsContact C-N 3.31Å; G92-F96 PolarHBondContact O-N 3.18Å
93V73.4Confident76.3Confident7 Ų749.6 Ų49.64%0.04225%0.253CS..Hα-helixtrans-68-34.6175.1-70.20000110.7I58 P79 L80 W87 L91 F96 Y97I58-V93 HydrophobicContact CG2-CG1 3.87Å; P79-V93 HydrophobicContact CB-CG2 4.39Å; L80-V93 HydrophobicContact CD2-CB 4.11Å; L80-V93 HydrophobicContact CD2-CG2 4.04Å; W87-V93 HydrophobicContact CB-CG2 4.43Å; W87-V93 WeakPolarHBondContact O-CG2 3.19Å; L91-V93 HydrophobicContact CB-CB 4.48Å; L91-V93 HydrophobicContact CB-CG1 3.82Å; L91-V93 HydrophobicContact CB-CG2 4.17Å; L91-V93 HydrophobicContact CD1-CG1 4.33Å; L91-V93 HydrophobicContact CD1-CG2 4.45Å; L91-V93 PolarHBondContact O-N 2.69Å; V93-F96 PolarHBondContact O-N 3.5Å; V93-Y97 WeakPolarHBondContact O-CD2 3.49Å; V93-Y97 PolarHBondContact O-N 3.43Å
94G79.5Confident78Confident1 Ų147.8 Ų47.81%0.0123%0.234CC..Hα-helixtrans-58.3-53.5174.400000111.7S88 G92 F96 Y97 Y98S88-G94 WeakPolarHBondContact OG-CA 3.48Å; G92-G94 VanDerWaalsContact C-N 3.31Å; G94-F96 VanDerWaalsContact C-N 3.29Å; G94-F96 PolarHBondContact O-N 3.02Å; G94-Y97 PolarHBondContact O-N 3.28Å; G94-Y98 VanDerWaalsContact C-CD2 3.42Å; G94-Y98 WeakPolarHBondContact O-CD2 3.07Å; G94-Y98 PolarHBondContact O-N 2.85Å
95D82.5Confident79.7Confident106 Ų10641 Ų4157%0.56721%0.206SC*.Hα-helixtrans-55.1-43.1179.6-60.8-12.5000112.5Y97 Y98 E99D95-Y97 PolarHBondContact O-N 3.41Å; D95-Y98 PolarHBondContact O-N 3.03Å; D95-E99 WeakPolarHBondContact O-CB 3.4Å; D95-E99 PolarHBondContact O-N 2.99Å
96F86.8Confident81Confident11 Ų1145.6 Ų45.65%0.04822%0.222CC..Hα-helixtrans-58.6-47.3176168.4-99.1000112.4G92 V93 G94 L100 Q137 V139 D143G92-F96 PolarHBondContact O-N 3.18Å; V93-F96 PolarHBondContact O-N 3.5Å; G94-F96 VanDerWaalsContact C-N 3.29Å; G94-F96 PolarHBondContact O-N 3.02Å; F96-L100 HydrophobicContact CE1-CD2 4.29Å; F96-L100 HydrophobicContact CZ-CD2 4.34Å; F96-L100 VanDerWaalsContact O-CB 3.27Å; F96-L100 WeakPolarHBondContact O-CB 3.45Å; F96-L100 PolarHBondContact O-N 3.07Å; F96-Q137 HydrophobicContact CD2-CB 4.3Å; F96-Q137 HydrophobicContact CE2-CB 3.98Å; F96-V139 HydrophobicContact CE2-CG2 4.35Å; F96-V139 HydrophobicContact CZ-CG2 4.25Å; F96-D143 HydrophobicContact CE1-CB 4.23Å; F96-D143 HydrophobicContact CZ-CB 4.41Å
97Y88.4Confident82.4Confident6 Ų643.6 Ų43.62%0.02422%0.215CC..Hα-helixtrans-74.2-29-179.8-77.7-74.4000113Q69 L80 V93 G94 D95 L100 G101 D143 R146 A147Q69-Y97 VanDerWaalsContact NE2-CE2 3.35Å; Q69-Y97 PolarHBondContact NE2-OH 3.39Å; L80-Y97 HydrophobicContact CD1-CD1 4.14Å; L80-Y97 HydrophobicContact CD1-CD2 3.39Å; L80-Y97 HydrophobicContact CD1-CE1 4.34Å; L80-Y97 HydrophobicContact CD1-CE2 3.6Å; L80-Y97 HydrophobicContact CD1-CG 3.69Å; L80-Y97 HydrophobicContact CD2-CD2 3.24Å; L80-Y97 HydrophobicContact CD2-CE2 3.75Å; L80-Y97 HydrophobicContact CD2-CG 4.09Å; L80-Y97 HydrophobicContact CG-CD2 3.92Å; L80-Y97 HydrophobicContact CG-CE2 4.23Å; V93-Y97 WeakPolarHBondContact O-CD2 3.49Å; V93-Y97 PolarHBondContact O-N 3.43Å; G94-Y97 PolarHBondContact O-N 3.28Å; D95-Y97 PolarHBondContact O-N 3.41Å; Y97-L100 HydrophobicContact CD1-CD2 4.35Å; Y97-G101 PolarHBondContact O-N 3.26Å; Y97-D143 HydrophobicContact CE1-CB 3.97Å; Y97-D143 WeakPolarHBondContact CE1-O 3.35Å; Y97-D143 PolarHBondContact OH-OD1 2.89Å; Y97-R146 HydrophobicContact CD1-CB 4.39Å; Y97-R146 HydrophobicContact CE1-CB 3.93Å; Y97-A147 HydrophobicContact CD1-CB 4.24Å
98Y86.5Confident83.7Confident106 Ų10642.8 Ų42.842%0.41621%0.213SC..Hα-helixtrans-68.5-46172.7-59.4-34.6000111.1G83 G94 D95 L100 G101 V102G83-Y98 PolarHBondContact N-OH 2.73Å; G94-Y98 VanDerWaalsContact C-CD2 3.42Å; G94-Y98 WeakPolarHBondContact O-CD2 3.07Å; G94-Y98 PolarHBondContact O-N 2.85Å; D95-Y98 PolarHBondContact O-N 3.03Å; Y98-L100 PolarHBondContact O-N 2.89Å; Y98-G101 PolarHBondContact O-N 3.26Å; Y98-V102 WeakPolarHBondContact O-CG2 3.2Å; Y98-V102 PolarHBondContact O-N 3.32Å
99E89.4Confident84.8Confident103 Ų10348.2 Ų48.248%0.48124%0.241SC..Hα-helixtrans-59.9-45.7173.5-171.1-162.7147.900111.2D95 G101 V102 Q103D95-E99 WeakPolarHBondContact O-CB 3.4Å; D95-E99 PolarHBondContact O-N 2.99Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 3.12Å; E99-V102 PolarHBondContact O-N 3.3Å; E99-Q103 WeakPolarHBondContact O-CG 3.34Å; E99-Q103 PolarHBondContact O-N 2.76Å; E99-Q103 PolarHBondContact OE1-NE2 3.47Å
100L92.6Very high85.9Confident0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-61.4-39.2176-175.260.9000111.7F96 Y97 Y98 V102 Q103 I104 V128 V139 D143 L144 A147F96-L100 HydrophobicContact CE1-CD2 4.29Å; F96-L100 HydrophobicContact CZ-CD2 4.34Å; F96-L100 VanDerWaalsContact O-CB 3.27Å; F96-L100 WeakPolarHBondContact O-CB 3.45Å; F96-L100 PolarHBondContact O-N 3.07Å; Y97-L100 HydrophobicContact CD1-CD2 4.35Å; Y98-L100 PolarHBondContact O-N 2.89Å; L100-V102 PolarHBondContact O-N 3.28Å; L100-Q103 PolarHBondContact O-N 3.46Å; L100-I104 HydrophobicContact CG-CD1 4.16Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.1Å; L100-I104 PolarHBondContact O-N 3.05Å; L100-V128 HydrophobicContact CD1-CG1 3.72Å; L100-V139 HydrophobicContact CD1-CG1 3.91Å; L100-V139 HydrophobicContact CD1-CG2 4.22Å; L100-V139 HydrophobicContact CD2-CG1 4.01Å; L100-D143 HydrophobicContact CD2-CB 3.77Å; L100-L144 HydrophobicContact CD1-CD2 3.81Å; L100-L144 HydrophobicContact CD2-CD2 4.28Å; L100-L144 HydrophobicContact CG-CD2 4.23Å; L100-A147 HydrophobicContact CB-CB 4.43Å; L100-A147 HydrophobicContact CD2-CB 4.04Å; L100-A147 HydrophobicContact CG-CB 4.06Å
101G92.6Very high87.2Confident3 Ų340 Ų403%0.03121%0.212CC..Hα-helixtrans-60.1-43.1174.400000112.6Y97 Y98 E99 I104 I105Y97-G101 PolarHBondContact O-N 3.26Å; Y98-G101 PolarHBondContact O-N 3.26Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 3.12Å; G101-I104 PolarHBondContact O-N 3.24Å; G101-I105 WeakPolarHBondContact O-CD1 3.42Å; G101-I105 VanDerWaalsContact O-CG1 3.29Å; G101-I105 WeakPolarHBondContact O-CG1 3.37Å; G101-I105 PolarHBondContact O-N 3.11Å
102V92Very high88.4Confident76 Ų7645 Ų4546%0.46123%0.234SC..Hα-helixtrans-62.5-46.5175.3175.10000111Y98 E99 L100 I104 I105 E106Y98-V102 WeakPolarHBondContact O-CG2 3.2Å; Y98-V102 PolarHBondContact O-N 3.32Å; E99-V102 PolarHBondContact O-N 3.3Å; L100-V102 PolarHBondContact O-N 3.28Å; V102-I104 VanDerWaalsContact C-N 3.31Å; V102-I104 PolarHBondContact O-N 2.79Å; V102-I105 WeakPolarHBondContact O-CB 3.36Å; V102-I105 PolarHBondContact O-N 2.9Å; V102-I105 VanDerWaalsContact O-N 3.08Å; V102-E106 HydrophobicContact CG1-CG 4.38Å; V102-E106 WeakPolarHBondContact O-CG 3.46Å; V102-E106 PolarHBondContact O-N 3.5Å
103Q93.3Very high89.2Confident32 Ų3251.3 Ų51.315%0.1526%0.26CS..Hα-helixtrans-60.9-39.6177.8-71.5168.6-5.500112.5E99 L100 I105 E106 V107E99-Q103 WeakPolarHBondContact O-CG 3.34Å; E99-Q103 PolarHBondContact O-N 2.76Å; E99-Q103 PolarHBondContact OE1-NE2 3.47Å; L100-Q103 PolarHBondContact O-N 3.46Å; Q103-I105 VanDerWaalsContact C-N 3.34Å; Q103-E106 PolarHBondContact O-N 3.41Å; Q103-V107 WeakPolarHBondContact O-CG2 3.27Å; Q103-V107 PolarHBondContact O-N 3.48Å
104I94.9Very high90Very high0 Ų053.8 Ų53.80%027%0.269CS..Hα-helixtrans-61.4-44.8174.1-70.5167.6000110.3L100 G101 V102 E106 V107 C108 L124 V128 L144 A147 I148 L151 F158L100-I104 HydrophobicContact CG-CD1 4.16Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.1Å; L100-I104 PolarHBondContact O-N 3.05Å; G101-I104 PolarHBondContact O-N 3.24Å; V102-I104 VanDerWaalsContact C-N 3.31Å; V102-I104 PolarHBondContact O-N 2.79Å; I104-E106 PolarHBondContact O-N 2.92Å; I104-V107 PolarHBondContact O-N 3.4Å; I104-C108 WeakPolarHBondContact O-CB 3.46Å; I104-C108 PolarHBondContact O-N 3.4Å; I104-C108 PolarHBondContact O-SG 2.67Å; I104-L124 HydrophobicContact CG1-CD1 4.47Å; I104-L124 HydrophobicContact CG1-CD2 4.35Å; I104-L124 HydrophobicContact CG2-CD1 4.34Å; I104-L124 HydrophobicContact CG2-CD2 4.07Å; I104-V128 HydrophobicContact CG1-CG2 4.26Å; I104-L144 HydrophobicContact CD1-CB 4.41Å; I104-L144 HydrophobicContact CD1-CD2 3.71Å; I104-L144 HydrophobicContact CG1-CD2 3.89Å; I104-A147 HydrophobicContact CD1-CB 3.61Å; I104-I148 HydrophobicContact CD1-CG1 4.05Å; I104-I148 HydrophobicContact CG2-CG1 4.24Å; I104-L151 HydrophobicContact CB-CD1 4.4Å; I104-L151 HydrophobicContact CG2-CD1 4.06Å; I104-F158 HydrophobicContact CG2-CE1 3.95Å
105I93.1Very high90.5Very high50 Ų5054.1 Ų54.126%0.25627%0.271SS..Hα-helixtrans-60.5-46.5177.2-68.1161.2000110.9G101 V102 Q103 C108 L109 L151 F158G101-I105 WeakPolarHBondContact O-CD1 3.42Å; G101-I105 VanDerWaalsContact O-CG1 3.29Å; G101-I105 WeakPolarHBondContact O-CG1 3.37Å; G101-I105 PolarHBondContact O-N 3.11Å; V102-I105 WeakPolarHBondContact O-CB 3.36Å; V102-I105 PolarHBondContact O-N 2.9Å; V102-I105 VanDerWaalsContact O-N 3.08Å; Q103-I105 VanDerWaalsContact C-N 3.34Å; I105-C108 PolarHBondContact O-N 3.38Å; I105-L109 HydrophobicContact CG2-CD1 3.7Å; I105-L109 HydrophobicContact CG2-CG 4.19Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.76Å; I105-L151 HydrophobicContact CD1-CD1 4.36Å; I105-L151 HydrophobicContact CD1-CD2 3.76Å; I105-L151 HydrophobicContact CG1-CD1 4.01Å; I105-L151 HydrophobicContact CG1-CD2 4.33Å; I105-F158 HydrophobicContact CB-CZ 4.33Å; I105-F158 HydrophobicContact CG1-CE2 3.8Å; I105-F158 HydrophobicContact CG1-CZ 3.66Å
106E92.2Very high90.9Very high117 Ų11749.7 Ų49.755%0.54725%0.25SS..Hα-helixtrans-60.4-48-179.9-72173163.700112V102 Q103 I104 C108 L109 A110V102-E106 HydrophobicContact CG1-CG 4.38Å; V102-E106 WeakPolarHBondContact O-CG 3.46Å; V102-E106 PolarHBondContact O-N 3.5Å; Q103-E106 PolarHBondContact O-N 3.41Å; I104-E106 PolarHBondContact O-N 2.92Å; E106-C108 PolarHBondContact O-N 3.15Å; E106-L109 PolarHBondContact O-N 2.73Å; E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.94Å
107V93.6Very high91.1Very high23 Ų2349.2 Ų49.214%0.13925%0.248CC..Hα-helixtrans-60-47.6176.9170.70000110.7Q103 I104 L109 A110 L111 I119 L124 R127 V128Q103-V107 WeakPolarHBondContact O-CG2 3.27Å; Q103-V107 PolarHBondContact O-N 3.48Å; I104-V107 PolarHBondContact O-N 3.4Å; V107-L109 PolarHBondContact O-N 3.11Å; V107-A110 PolarHBondContact O-N 2.9Å; V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 WeakPolarHBondContact O-CG 3.4Å; V107-L111 PolarHBondContact O-N 3.04Å; V107-L111 VanDerWaalsContact O-N 3.08Å; V107-I119 HydrophobicContact CG1-CD1 4.33Å; V107-L124 HydrophobicContact CB-CD1 4.07Å; V107-L124 HydrophobicContact CG1-CD1 3.74Å; V107-R127 HydrophobicContact CG1-CB 3.6Å; V107-R127 HydrophobicContact CG1-CG 4.11Å; V107-R127 HydrophobicContact CG2-CB 4.11Å; V107-V128 HydrophobicContact CG2-CG2 4.11Å
108C93.4Very high91.4Very high4 Ų449 Ų493%0.02725%0.247CC..Hα-helixtrans-63.8-40.4-180-74.10000112.5I104 I105 E106 L111 K112 F158 S171I104-C108 WeakPolarHBondContact O-CB 3.46Å; I104-C108 PolarHBondContact O-N 3.4Å; I104-C108 PolarHBondContact O-SG 2.67Å; I105-C108 PolarHBondContact O-N 3.38Å; E106-C108 PolarHBondContact O-N 3.15Å; C108-L111 PolarHBondContact O-N 2.73Å; C108-K112 WeakPolarHBondContact O-CB 3.32Å; C108-K112 PolarHBondContact O-N 2.83Å; C108-F158 HydrophobicContact CB-CE1 4.37Å; C108-F158 HydrophobicContact CB-CZ 4.41Å; C108-S171 VanDerWaalsContact CB-CB 3.44Å
109L91Very high91.7Very high118 Ų11844 Ų4462%0.61823%0.228SC*.Hα-helixtrans-65.2-42.1175.4-75.9174.2000111.8I105 E106 V107 L111I105-L109 HydrophobicContact CG2-CD1 3.7Å; I105-L109 HydrophobicContact CG2-CG 4.19Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.76Å; E106-L109 PolarHBondContact O-N 2.73Å; V107-L109 PolarHBondContact O-N 3.11Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 2.86Å
110A90.8Very high91.9Very high61 Ų6140.4 Ų40.450%0.50421%0.213SC..Hα-helixtrans-62.1-35.4178.200000112.1E106 V107 H113E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.94Å; V107-A110 PolarHBondContact O-N 2.9Å; A110-H113 PolarHBondContact O-CE1 3.01Å; A110-H113 PolarHBondContact O-ND1 3.33Å
111L90.2Very high92Very high7 Ų740.7 Ų40.74%0.03721%0.214CC..Hα-helixtrans-95-12.8-175.8-62.7172.7000114.7V107 C108 L109 H113 R114 N115 I119 R127V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 WeakPolarHBondContact O-CG 3.4Å; V107-L111 PolarHBondContact O-N 3.04Å; V107-L111 VanDerWaalsContact O-N 3.08Å; C108-L111 PolarHBondContact O-N 2.73Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 2.86Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-H113 VanDerWaalsContact O-N 3.08Å; L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 PolarHBondContact O-N 2.87Å; L111-N115 WeakPolarHBondContact CB-ND2 3.37Å; L111-N115 PolarHBondContact O-N 3.21Å; L111-N115 VanDerWaalsContact O-N 3.13Å; L111-N115 PolarHBondContact O-OD1 3.46Å; L111-N115 VanDerWaalsContact O-OD1 3.07Å; L111-I119 HydrophobicContact CD1-CD1 3.56Å; L111-R127 HydrophobicContact CD1-CG 4.27Å
112K90.1Very high91.9Very high106 Ų10644.5 Ų44.546%0.46123%0.234SC..Hα-helixtrans-48-42.6-178.3177.2-178.5171.2178.10113.4C108 R114 G116 V172C108-K112 WeakPolarHBondContact O-CB 3.32Å; C108-K112 PolarHBondContact O-N 2.83Å; K112-R114 PolarHBondContact O-N 2.98Å; K112-G116 WeakPolarHBondContact O-CA 3.06Å; K112-G116 PolarHBondContact O-N 3.14Å; K112-V172 HydrophobicContact CD-CG1 3.84Å; K112-V172 HydrophobicContact CG-CG1 4.19Å
113H88Confident91.9Very high140 Ų14042.8 Ų42.865%0.64822%0.221SC*.Hα-helixtrans-65.2-18.3-178.571.9-80.9000113.7A110 L111A110-H113 PolarHBondContact O-CE1 3.01Å; A110-H113 PolarHBondContact O-ND1 3.33Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-H113 VanDerWaalsContact O-N 3.08Å
114R88.6Confident91.9Very high59 Ų5941.3 Ų41.322%0.22321%0.214CC..Hα-helixtrans-100.9-40.7-178.2-56.1-175.4174-167.9-7.6112.7L111 K112 P237 S245L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 PolarHBondContact O-N 2.87Å; K112-R114 PolarHBondContact O-N 2.98Å; R114-P237 WeakPolarHBondContact O-CB 3.46Å; R114-S245 VanDerWaalsContact CZ-OG 3.28Å; R114-S245 PolarHBondContact NH1-OG 2.83Å; R114-S245 PolarHBondContact NH2-OG 2.93Å
115N91.1Very high91.9Very high9 Ų943.1 Ų43.15%0.04822%0.223CC..Hα-helixtrans-115.56.2-170.26715.6000114.4L111 G117 L118 P237 A238L111-N115 WeakPolarHBondContact CB-ND2 3.37Å; L111-N115 PolarHBondContact O-N 3.21Å; L111-N115 VanDerWaalsContact O-N 3.13Å; L111-N115 PolarHBondContact O-OD1 3.46Å; L111-N115 VanDerWaalsContact O-OD1 3.07Å; N115-G117 PolarHBondContact O-N 3.39Å; N115-G117 VanDerWaalsContact O-N 3.11Å; N115-G117 PolarHBondContact OD1-N 2.87Å; N115-L118 VanDerWaalsContact CB-O 3.26Å; N115-L118 WeakPolarHBondContact CB-O 3.46Å; N115-L118 PolarHBondContact ND2-O 3.15Å; N115-L118 PolarHBondContact O-N 2.99Å; N115-L118 PolarHBondContact OD1-O 3.44Å; N115-P237 HydrophobicContact CB-CB 4.38Å; N115-A238 HydrophobicContact CB-CB 4.42Å
116G90.2Very high91.8Very high13 Ų1346.4 Ų46.413%0.13424%0.237CC..THydrogen-bonded Turntrans67.78.517800000114.2K112 V172 G220 L221K112-G116 WeakPolarHBondContact O-CA 3.06Å; K112-G116 PolarHBondContact O-N 3.14Å; G116-V172 WeakPolarHBondContact O-CG2 3.45Å; G116-G220 WeakPolarHBondContact CA-O 3.46Å; G116-L221 WeakPolarHBondContact O-CD2 3.31Å
117G92.4Very high91.7Very high1 Ų142.4 Ų42.41%0.0122%0.217CC..THydrogen-bonded Turntrans91.821.6-17800000114.8N115 Q170 S171N115-G117 PolarHBondContact O-N 3.39Å; N115-G117 VanDerWaalsContact O-N 3.11Å; N115-G117 PolarHBondContact OD1-N 2.87Å; G117-Q170 WeakPolarHBondContact O-CA 3.27Å; G117-S171 PolarHBondContact O-N 3.32Å; G117-S171 PolarHBondContact O-OG 2.97Å
118L93.8Very high91.7Very high1 Ų141.5 Ų41.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-113.3138.3163.1-71.8178.9000110.3N115 I161 V169 Q170 L184 L221 A238N115-L118 VanDerWaalsContact CB-O 3.26Å; N115-L118 WeakPolarHBondContact CB-O 3.46Å; N115-L118 PolarHBondContact ND2-O 3.15Å; N115-L118 PolarHBondContact O-N 2.99Å; N115-L118 PolarHBondContact OD1-O 3.44Å; L118-I161 HydrophobicContact CD2-CD1 3.99Å; L118-V169 WeakPolarHBondContact CA-O 3.43Å; L118-Q170 HydrophobicContact CD2-CB 3.85Å; L118-Q170 HydrophobicContact CD2-CG 4.2Å; L118-L184 HydrophobicContact CD1-CD1 4.23Å; L118-L184 HydrophobicContact CD1-CD2 4.15Å; L118-L221 HydrophobicContact CB-CD2 4.4Å; L118-L221 HydrophobicContact CD1-CB 4.44Å; L118-L221 HydrophobicContact CD1-CD1 3.97Å; L118-L221 HydrophobicContact CD1-CD2 3.8Å; L118-L221 HydrophobicContact CD1-CG 4.29Å; L118-L221 HydrophobicContact CG-CD2 3.73Å; L118-A238 HydrophobicContact CB-CB 3.54Å; L118-A238 WeakPolarHBondContact O-CB 3.46Å
119I93.6Very high91.6Very high2 Ų244.3 Ų44.31%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-146.5143.3176.2-172.4171.2000110V107 L111 E123 L124 L168 V169V107-I119 HydrophobicContact CG1-CD1 4.33Å; L111-I119 HydrophobicContact CD1-CD1 3.56Å; I119-E123 HydrophobicContact CD1-CB 4.17Å; I119-E123 HydrophobicContact CD1-CG 4.03Å; I119-E123 HydrophobicContact CG1-CB 3.9Å; I119-E123 HydrophobicContact CG1-CG 4.18Å; I119-L124 HydrophobicContact CD1-CB 4.1Å; I119-L124 HydrophobicContact CG1-CB 4.38Å; I119-L124 HydrophobicContact CG2-CB 4.24Å; I119-L168 CarbonylContact O-C 3.54Å; I119-L168 WeakPolarHBondContact O-CA 3.48Å; I119-V169 HydrophobicContact CG2-CB 3.89Å; I119-V169 PolarHBondContact N-O 2.76Å; I119-V169 PolarHBondContact O-N 3.05Å
120T93.3Very high91.4Very high27 Ų2744.9 Ų44.917%0.16622%0.223CC..EExtended strand (participates in β ladder)trans-66.5148.6172.2570000110.9D122 E123 L124 L168 A238 L239T120-D122 PolarHBondContact O-N 3.26Å; T120-E123 PolarHBondContact O-N 3.31Å; T120-E123 WeakPolarHBondContact OG1-CB 3.24Å; T120-E123 PolarHBondContact OG1-N 2.92Å; T120-E123 VanDerWaalsContact OG1-N 3.12Å; T120-L124 WeakPolarHBondContact O-CB 3.35Å; T120-L124 PolarHBondContact O-N 3.14Å; T120-L168 HydrophobicContact CG2-CD2 3.86Å; T120-A238 WeakPolarHBondContact CG2-O 3.44Å; T120-L239 HydrophobicContact CG2-CD2 4.19Å
121L93.8Very high91.1Very high5 Ų545.4 Ų45.43%0.02623%0.234CC..Hα-helixtrans-59-35.1174.9-173.363.4000111.6H125 Q141 L144 V145 I148 Y167 V169L121-H125 VanDerWaalsContact O-CB 3.27Å; L121-H125 WeakPolarHBondContact O-CB 3.18Å; L121-H125 PolarHBondContact O-N 3.34Å; L121-Q141 HydrophobicContact CD2-CB 4.16Å; L121-Q141 HydrophobicContact CG-CB 4.5Å; L121-L144 HydrophobicContact CD1-CB 3.97Å; L121-L144 HydrophobicContact CD1-CD1 4.05Å; L121-V145 HydrophobicContact CD1-CG2 4.26Å; L121-V145 HydrophobicContact CD2-CG2 3.75Å; L121-I148 HydrophobicContact CD1-CD1 4.45Å; L121-Y167 WeakPolarHBondContact CB-O 3.25Å; L121-Y167 HydrophobicContact CD2-CD2 4.28Å; L121-Y167 PolarHBondContact N-O 3.35Å; L121-V169 HydrophobicContact CD1-CG2 4.22Å
122D91.8Very high90.8Very high84 Ų8446.4 Ų46.445%0.44924%0.237SC..Hα-helixtrans-65-48.2176.7-62.3-61.3000112.2T120 H125 H126 Q141 S166T120-D122 PolarHBondContact O-N 3.26Å; D122-H125 PolarHBondContact O-N 3.07Å; D122-H126 PolarHBondContact O-N 3.05Å; D122-Q141 PolarHBondContact OD1-NE2 3.5Å; D122-S166 PolarHBondContact OD2-OG 3.08Å
123E91.1Very high90.2Very high40 Ų4044 Ų4419%0.18724%0.242CC..Hα-helixtrans-65.4-43.1176.8-171.4-172.3171.900111.1I119 T120 H125 H126 R127I119-E123 HydrophobicContact CD1-CB 4.17Å; I119-E123 HydrophobicContact CD1-CG 4.03Å; I119-E123 HydrophobicContact CG1-CB 3.9Å; I119-E123 HydrophobicContact CG1-CG 4.18Å; T120-E123 PolarHBondContact O-N 3.31Å; T120-E123 WeakPolarHBondContact OG1-CB 3.24Å; T120-E123 PolarHBondContact OG1-N 2.92Å; T120-E123 VanDerWaalsContact OG1-N 3.12Å; E123-H125 VanDerWaalsContact C-N 3.29Å; E123-H125 PolarHBondContact O-N 3.16Å; E123-H126 PolarHBondContact O-N 3.36Å; E123-R127 HydrophobicContact CG-CG 4.06Å; E123-R127 WeakPolarHBondContact O-CB 3.23Å; E123-R127 WeakPolarHBondContact O-CG 3.48Å; E123-R127 PolarHBondContact O-N 3.44Å; E123-R127 IonicContact OE1-CZ 3.05Å; E123-R127 IonicContact OE1-NE 3.37Å; E123-R127 PolarHBondContact OE1-NE 3.18Å; E123-R127 IonicContact OE1-NH2 2.69Å; E123-R127 PolarHBondContact OE1-NH2 3.37Å
124L94.1Very high89.6Confident0 Ų046.7 Ų46.70%025%0.253CS..Hα-helixtrans-57.4-45.4175.8178.761.9000111I104 V107 I119 T120 R127 V128 L144 I148 V169I104-L124 HydrophobicContact CG1-CD1 4.47Å; I104-L124 HydrophobicContact CG1-CD2 4.35Å; I104-L124 HydrophobicContact CG2-CD1 4.34Å; I104-L124 HydrophobicContact CG2-CD2 4.07Å; V107-L124 HydrophobicContact CB-CD1 4.07Å; V107-L124 HydrophobicContact CG1-CD1 3.74Å; I119-L124 HydrophobicContact CD1-CB 4.1Å; I119-L124 HydrophobicContact CG1-CB 4.38Å; I119-L124 HydrophobicContact CG2-CB 4.24Å; T120-L124 WeakPolarHBondContact O-CB 3.35Å; T120-L124 PolarHBondContact O-N 3.14Å; L124-R127 PolarHBondContact O-N 3.22Å; L124-V128 HydrophobicContact CD1-CG2 4.05Å; L124-V128 HydrophobicContact CG-CG2 4.42Å; L124-V128 WeakPolarHBondContact O-CB 3.39Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.27Å; L124-V128 PolarHBondContact O-N 3.32Å; L124-L144 HydrophobicContact CG-CD1 4.44Å; L124-I148 HydrophobicContact CD2-CD1 3.99Å; L124-V169 HydrophobicContact CD2-CB 4.29Å; L124-V169 HydrophobicContact CD2-CG1 4.28Å; L124-V169 HydrophobicContact CD2-CG2 3.82Å
125H93.5Very high88.7Confident39 Ų3953.6 Ų53.618%0.18129%0.285CS..Hα-helixtrans-60.1-48177-177.7-117.4000112.2L121 D122 E123 R127 V128 L129 V139 Q141 L144L121-H125 VanDerWaalsContact O-CB 3.27Å; L121-H125 WeakPolarHBondContact O-CB 3.18Å; L121-H125 PolarHBondContact O-N 3.34Å; D122-H125 PolarHBondContact O-N 3.07Å; E123-H125 VanDerWaalsContact C-N 3.29Å; E123-H125 PolarHBondContact O-N 3.16Å; H125-R127 PolarHBondContact O-N 2.84Å; H125-V128 PolarHBondContact O-N 2.81Å; H125-L129 VanDerWaalsContact CE1-CD1 3.45Å; H125-L129 WeakPolarHBondContact CE1-CD1 3.47Å; H125-L129 WeakPolarHBondContact O-CG 3.45Å; H125-L129 PolarHBondContact O-N 3.48Å; H125-V139 PolarHBondContact NE2-O 3.18Å; H125-Q141 HydrophobicContact CB-CG 4.31Å; H125-L144 VanDerWaalsContact CA-CD1 3.5Å; H125-L144 HydrophobicContact CB-CD1 3.48Å; H125-L144 VanDerWaalsContact CB-CD1 3.48Å
126H91.3Very high88.1Confident119 Ų11955.2 Ų55.255%0.55130%0.299SS*.Hα-helixtrans-59.8-45177-174.976.1000112.4D122 E123 L129 K130D122-H126 PolarHBondContact O-N 3.05Å; E123-H126 PolarHBondContact O-N 3.36Å; H126-L129 PolarHBondContact O-N 3.07Å; H126-K130 WeakPolarHBondContact O-CB 3.31Å; H126-K130 PolarHBondContact O-N 3.33Å
127R90.9Very high87.6Confident33 Ų3357.7 Ų57.713%0.12531%0.307CS..Hα-helixtrans-65.1-44.1-180-65.4-95.9-172-174.3-2112V107 L111 E123 L124 H125 L129 K130 G131 D247V107-R127 HydrophobicContact CG1-CB 3.6Å; V107-R127 HydrophobicContact CG1-CG 4.11Å; V107-R127 HydrophobicContact CG2-CB 4.11Å; L111-R127 HydrophobicContact CD1-CG 4.27Å; E123-R127 HydrophobicContact CG-CG 4.06Å; E123-R127 WeakPolarHBondContact O-CB 3.23Å; E123-R127 WeakPolarHBondContact O-CG 3.48Å; E123-R127 PolarHBondContact O-N 3.44Å; E123-R127 IonicContact OE1-CZ 3.05Å; E123-R127 IonicContact OE1-NE 3.37Å; E123-R127 PolarHBondContact OE1-NE 3.18Å; E123-R127 IonicContact OE1-NH2 2.69Å; E123-R127 PolarHBondContact OE1-NH2 3.37Å; L124-R127 PolarHBondContact O-N 3.22Å; H125-R127 PolarHBondContact O-N 2.84Å; R127-L129 VanDerWaalsContact C-N 3.35Å; R127-K130 PolarHBondContact O-N 3.21Å; R127-G131 PolarHBondContact O-N 2.91Å; R127-D247 IonicContact NH1-OD1 2.76Å; R127-D247 PolarHBondContact NH1-OD1 3.25Å
128V92.9Very high87.3Confident3 Ų361.4 Ų61.42%0.01833%0.327CS..Hα-helixtrans-62-43.6176.4167.50000110.6L100 I104 V107 L124 H125 K130 G131 R132 L144L100-V128 HydrophobicContact CD1-CG1 3.72Å; I104-V128 HydrophobicContact CG1-CG2 4.26Å; V107-V128 HydrophobicContact CG2-CG2 4.11Å; L124-V128 HydrophobicContact CD1-CG2 4.05Å; L124-V128 HydrophobicContact CG-CG2 4.42Å; L124-V128 WeakPolarHBondContact O-CB 3.39Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.27Å; L124-V128 PolarHBondContact O-N 3.32Å; H125-V128 PolarHBondContact O-N 2.81Å; V128-K130 PolarHBondContact O-N 2.85Å; V128-G131 PolarHBondContact O-N 3.15Å; V128-R132 WeakPolarHBondContact O-CG 3.5Å; V128-R132 PolarHBondContact O-N 2.95Å; V128-L144 HydrophobicContact CG1-CD2 4.39Å; V128-L144 HydrophobicContact CG2-CD2 4.25Å
129L90.5Very high87.2Confident63 Ų6361.5 Ų61.533%0.3333%0.327SS..Hα-helixtrans-64.7-38.7176.2-72.1179.5000112.4H125 H126 R127 G131 R132 V139H125-L129 VanDerWaalsContact CE1-CD1 3.45Å; H125-L129 WeakPolarHBondContact CE1-CD1 3.47Å; H125-L129 WeakPolarHBondContact O-CG 3.45Å; H125-L129 PolarHBondContact O-N 3.48Å; H126-L129 PolarHBondContact O-N 3.07Å; R127-L129 VanDerWaalsContact C-N 3.35Å; L129-G131 VanDerWaalsContact C-N 3.34Å; L129-G131 PolarHBondContact O-N 3.42Å; L129-R132 PolarHBondContact O-N 3.34Å; L129-V139 HydrophobicContact CD2-CB 4.1Å
130K88.1Confident87.1Confident131 Ų13162.4 Ų62.457%0.5733%0.334SS*.Hα-helixtrans-64.4-37.3176.5-172.5-171.6175.9-163.30112.4H126 R127 V128 R132 D247H126-K130 WeakPolarHBondContact O-CB 3.31Å; H126-K130 PolarHBondContact O-N 3.33Å; R127-K130 PolarHBondContact O-N 3.21Å; V128-K130 PolarHBondContact O-N 2.85Å; K130-R132 VanDerWaalsContact C-N 3.26Å; K130-R132 PolarHBondContact O-N 3.28Å; K130-D247 IonicContact NZ-OD2 2.83Å; K130-D247 PolarHBondContact NZ-OD2 2.74Å
131G83.7Confident87Confident72 Ų7264.6 Ų64.674%0.74234%0.342SS*.Hα-helixtrans-74.6-14.7176.900000114R127 V128 L129R127-G131 PolarHBondContact O-N 2.91Å; V128-G131 PolarHBondContact O-N 3.15Å; L129-G131 VanDerWaalsContact C-N 3.34Å; L129-G131 PolarHBondContact O-N 3.42Å
132R83.4Confident86.9Confident27 Ų2766.8 Ų66.810%0.10235%0.354CS..SBendtrans-84.1137.8-179.2-83.2179.1174.3-119.2-9.1111.8V128 L129 K130 A136 Q137V128-R132 WeakPolarHBondContact O-CG 3.5Å; V128-R132 PolarHBondContact O-N 2.95Å; L129-R132 PolarHBondContact O-N 3.34Å; K130-R132 VanDerWaalsContact C-N 3.26Å; K130-R132 PolarHBondContact O-N 3.28Å; R132-A136 HydrophobicContact CB-CB 3.67Å; R132-A136 HydrophobicContact CG-CB 3.95Å; R132-Q137 PolarHBondContact NH1-O 3.4Å
133G78.1Confident86.9Confident55 Ų5562.8 Ų62.857%0.56733%0.333SS*.  trans-71.8165.617700000113.2F135 A136G133-F135 PolarHBondContact O-N 3.43Å; G133-A136 VanDerWaalsContact O-CB 3.23Å; G133-A136 WeakPolarHBondContact O-CB 3.12Å; G133-A136 PolarHBondContact O-N 3.23Å
134K74.8Confident87.1Confident198 Ų19860.9 Ų60.986%0.86132%0.324SS*.THydrogen-bonded Turntrans-55.7-22.5-178.9-170.9174.5179.7178.80115.1
135F71.4Confident87Confident204 Ų20461.7 Ų61.790%0.89533%0.329SS*.THydrogen-bonded Turntrans-104.55.1179.8-60.4-73000113.6G133G133-F135 PolarHBondContact O-N 3.43Å
136A76.9Confident86.8Confident43 Ų4362.1 Ų62.136%0.35533%0.329SS..SBendtrans-67.2149.2177.200000110.6R132 G133R132-A136 HydrophobicContact CB-CB 3.67Å; R132-A136 HydrophobicContact CG-CB 3.95Å; G133-A136 VanDerWaalsContact O-CB 3.23Å; G133-A136 WeakPolarHBondContact O-CB 3.12Å; G133-A136 PolarHBondContact O-N 3.23Å
137Q80.4Confident86.9Confident64 Ų6456.5 Ų56.530%0.29930%0.303SS..PPolyproline II helixtrans-63.7142.4171.8-67.6176.9-000109.7R59 F96 R132R59-Q137 WeakPolarHBondContact O-CG 3.36Å; F96-Q137 HydrophobicContact CD2-CB 4.3Å; F96-Q137 HydrophobicContact CE2-CB 3.98Å; R132-Q137 PolarHBondContact NH1-O 3.4Å
138D85.8Confident87Confident80 Ų8055 Ų5543%0.42830%0.298SS..PPolyproline II helixtrans-56.7151172.7-173.829.3000110.2S62 R65S62-D138 WeakPolarHBondContact CB-OD2 3.42Å; S62-D138 PolarHBondContact OG-OD2 2.95Å; R65-D138 PolarHBondContact NH1-O 2.75Å; R65-D138 PolarHBondContact NH2-O 3.23Å
139V91.1Very high86.8Confident2 Ų260.8 Ų60.81%0.01232%0.323CS..  trans-133.7127.8-177.8-1800000108.4F96 L100 H125 L129 D143 L144F96-V139 HydrophobicContact CE2-CG2 4.35Å; F96-V139 HydrophobicContact CZ-CG2 4.25Å; L100-V139 HydrophobicContact CD1-CG1 3.91Å; L100-V139 HydrophobicContact CD1-CG2 4.22Å; L100-V139 HydrophobicContact CD2-CG1 4.01Å; H125-V139 PolarHBondContact NE2-O 3.18Å; L129-V139 HydrophobicContact CD2-CB 4.1Å; V139-D143 HydrophobicContact CG1-CB 4Å; V139-L144 HydrophobicContact CG1-CD2 4.1Å; V139-L144 HydrophobicContact CG1-CG 4.23Å
140S92.3Very high86.5Confident22 Ų2260.5 Ų60.515%0.15432%0.319CS..  trans-94.4165.3170.464.80000111.7D142 D143 L144S140-D142 PolarHBondContact O-N 3.24Å; S140-D143 PolarHBondContact N-OD2 3.2Å; S140-D143 WeakPolarHBondContact O-CB 3.34Å; S140-D143 PolarHBondContact O-N 2.88Å; S140-D143 VanDerWaalsContact O-N 3.14Å; S140-D143 PolarHBondContact OG-N 3.32Å; S140-D143 VanDerWaalsContact OG-N 3.15Å; S140-D143 PolarHBondContact OG-OD2 3.32Å; S140-L144 PolarHBondContact O-N 2.88Å
141Q91.7Very high86.5Confident72 Ų7255 Ų5534%0.33630%0.295SS..Hα-helixtrans-61.6-34.4171.1-68.4-172.7-17.700112.6L121 D122 H125 D143 L144 V145L121-Q141 HydrophobicContact CD2-CB 4.16Å; L121-Q141 HydrophobicContact CG-CB 4.5Å; D122-Q141 PolarHBondContact OD1-NE2 3.5Å; H125-Q141 HydrophobicContact CB-CG 4.31Å; Q141-D143 VanDerWaalsContact C-N 3.28Å; Q141-D143 PolarHBondContact O-N 2.88Å; Q141-L144 WeakPolarHBondContact O-CB 3.43Å; Q141-L144 PolarHBondContact O-N 3.03Å; Q141-L144 VanDerWaalsContact O-N 3.15Å; Q141-V145 WeakPolarHBondContact O-CG2 3.34Å; Q141-V145 PolarHBondContact O-N 3.04Å
142D91.1Very high86.6Confident51 Ų5157.9 Ų57.927%0.27329%0.288SS..Hα-helixtrans-63.1-37175178.569.1000111.4V66 S140 L144 V145 R146V66-D142 HydrophobicContact CG2-CB 4.19Å; S140-D142 PolarHBondContact O-N 3.24Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.1Å; D142-V145 PolarHBondContact O-N 2.88Å; D142-R146 VanDerWaalsContact CG-NE 3.3Å; D142-R146 VanDerWaalsContact CG-NH2 3.28Å; D142-R146 VanDerWaalsContact O-CG 3.27Å; D142-R146 WeakPolarHBondContact O-CG 3.36Å; D142-R146 PolarHBondContact O-N 3.35Å; D142-R146 IonicContact OD1-CZ 2.62Å; D142-R146 IonicContact OD1-NE 3.72Å; D142-R146 PolarHBondContact OD1-NE 2.79Å; D142-R146 IonicContact OD1-NH2 2.69Å; D142-R146 PolarHBondContact OD1-NH2 2.66Å; D142-R146 VanDerWaalsContact OD1-NH2 3.12Å; D142-R146 IonicContact OD2-CZ 3.52Å; D142-R146 IonicContact OD2-NE 2.79Å; D142-R146 PolarHBondContact OD2-NE 3.09Å; D142-R146 IonicContact OD2-NH2 3.74Å; D142-R146 PolarHBondContact OD2-NH2 3.29Å
143D92.2Very high86.4Confident0 Ų062.4 Ų62.40%032%0.318CS..Hα-helixtrans-60.7-41.6173-64.6-58.3000111.7R65 F96 Y97 L100 V139 S140 Q141 R146 A147R65-D143 IonicContact CZ-OD1 2.69Å; R65-D143 IonicContact CZ-OD2 4Å; R65-D143 IonicContact NE-OD1 3.14Å; R65-D143 PolarHBondContact NE-OD1 2.86Å; R65-D143 IonicContact NE-OD2 3.26Å; R65-D143 IonicContact NH2-OD1 3.04Å; R65-D143 IonicContact NH2-OD2 3.67Å; R65-D143 PolarHBondContact NH2-OD2 3.4Å; F96-D143 HydrophobicContact CE1-CB 4.23Å; F96-D143 HydrophobicContact CZ-CB 4.41Å; Y97-D143 HydrophobicContact CE1-CB 3.97Å; Y97-D143 WeakPolarHBondContact CE1-O 3.35Å; Y97-D143 PolarHBondContact OH-OD1 2.89Å; L100-D143 HydrophobicContact CD2-CB 3.77Å; V139-D143 HydrophobicContact CG1-CB 4Å; S140-D143 PolarHBondContact N-OD2 3.2Å; S140-D143 WeakPolarHBondContact O-CB 3.34Å; S140-D143 PolarHBondContact O-N 2.88Å; S140-D143 VanDerWaalsContact O-N 3.14Å; S140-D143 PolarHBondContact OG-N 3.32Å; S140-D143 VanDerWaalsContact OG-N 3.15Å; S140-D143 PolarHBondContact OG-OD2 3.32Å; Q141-D143 VanDerWaalsContact C-N 3.28Å; Q141-D143 PolarHBondContact O-N 2.88Å; D143-R146 PolarHBondContact O-N 3.47Å; D143-A147 WeakPolarHBondContact O-CB 3.27Å; D143-A147 PolarHBondContact O-N 2.76Å
144L94.2Very high86.3Confident0 Ų067.2 Ų67.20%033%0.327CS..Hα-helixtrans-64.3-48.1176.5-61.6174.4000111.8L100 I104 L121 L124 H125 V128 V139 S140 Q141 D142 R146 A147 I148L100-L144 HydrophobicContact CD1-CD2 3.81Å; L100-L144 HydrophobicContact CD2-CD2 4.28Å; L100-L144 HydrophobicContact CG-CD2 4.23Å; I104-L144 HydrophobicContact CD1-CB 4.41Å; I104-L144 HydrophobicContact CD1-CD2 3.71Å; I104-L144 HydrophobicContact CG1-CD2 3.89Å; L121-L144 HydrophobicContact CD1-CB 3.97Å; L121-L144 HydrophobicContact CD1-CD1 4.05Å; L124-L144 HydrophobicContact CG-CD1 4.44Å; H125-L144 VanDerWaalsContact CA-CD1 3.5Å; H125-L144 HydrophobicContact CB-CD1 3.48Å; H125-L144 VanDerWaalsContact CB-CD1 3.48Å; V128-L144 HydrophobicContact CG1-CD2 4.39Å; V128-L144 HydrophobicContact CG2-CD2 4.25Å; V139-L144 HydrophobicContact CG1-CD2 4.1Å; V139-L144 HydrophobicContact CG1-CG 4.23Å; S140-L144 PolarHBondContact O-N 2.88Å; Q141-L144 WeakPolarHBondContact O-CB 3.43Å; Q141-L144 PolarHBondContact O-N 3.03Å; Q141-L144 VanDerWaalsContact O-N 3.15Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.1Å; L144-R146 PolarHBondContact O-N 2.69Å; L144-A147 PolarHBondContact O-N 2.9Å; L144-A147 VanDerWaalsContact O-N 3.15Å; L144-I148 WeakPolarHBondContact O-CD1 3.24Å; L144-I148 VanDerWaalsContact O-CG1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.46Å
145V93Very high86.3Confident18 Ų1859.3 Ų59.311%0.10930%0.302CS..Hα-helixtrans-55.5-41.6178.5167.40000110.5L121 Q141 D142 K149 M160L121-V145 HydrophobicContact CD1-CG2 4.26Å; L121-V145 HydrophobicContact CD2-CG2 3.75Å; Q141-V145 WeakPolarHBondContact O-CG2 3.34Å; Q141-V145 PolarHBondContact O-N 3.04Å; D142-V145 PolarHBondContact O-N 2.88Å; V145-K149 HydrophobicContact CG1-CD 4.35Å; V145-K149 VanDerWaalsContact O-CG 3.3Å; V145-K149 WeakPolarHBondContact O-CG 3.41Å; V145-K149 PolarHBondContact O-N 2.97Å; V145-M160 HydrophobicContact CB-SD 4.3Å; V145-M160 HydrophobicContact CG1-CE 3.98Å; V145-M160 HydrophobicContact CG1-SD 3.93Å; V145-M160 HydrophobicContact CG2-SD 4.2Å
146R89.6Confident86.4Confident47 Ų4756.6 Ų56.618%0.17730%0.297CS..Hα-helixtrans-69.6-44.6177.4-67.3179.2-156.4-110.70112.3Q69 Y97 D142 D143 L144 I148 K149 K150Q69-R146 VanDerWaalsContact CB-NH1 3.27Å; Y97-R146 HydrophobicContact CD1-CB 4.39Å; Y97-R146 HydrophobicContact CE1-CB 3.93Å; D142-R146 VanDerWaalsContact CG-NE 3.3Å; D142-R146 VanDerWaalsContact CG-NH2 3.28Å; D142-R146 VanDerWaalsContact O-CG 3.27Å; D142-R146 WeakPolarHBondContact O-CG 3.36Å; D142-R146 PolarHBondContact O-N 3.35Å; D142-R146 IonicContact OD1-CZ 2.62Å; D142-R146 IonicContact OD1-NE 3.72Å; D142-R146 PolarHBondContact OD1-NE 2.79Å; D142-R146 IonicContact OD1-NH2 2.69Å; D142-R146 PolarHBondContact OD1-NH2 2.66Å; D142-R146 VanDerWaalsContact OD1-NH2 3.12Å; D142-R146 IonicContact OD2-CZ 3.52Å; D142-R146 IonicContact OD2-NE 2.79Å; D142-R146 PolarHBondContact OD2-NE 3.09Å; D142-R146 IonicContact OD2-NH2 3.74Å; D142-R146 PolarHBondContact OD2-NH2 3.29Å; D143-R146 PolarHBondContact O-N 3.47Å; L144-R146 PolarHBondContact O-N 2.69Å; R146-I148 VanDerWaalsContact C-N 3.32Å; R146-I148 PolarHBondContact O-N 3.48Å; R146-K149 PolarHBondContact O-N 3.03Å; R146-K150 WeakPolarHBondContact O-CG 3.45Å; R146-K150 PolarHBondContact O-N 3.15Å; R146-K150 VanDerWaalsContact O-N 3.07Å
147A92.3Very high86.7Confident2 Ų255.6 Ų55.62%0.01729%0.291CS..Hα-helixtrans-57.3-45.7174.700000111.3Y97 L100 I104 D143 L144 K149 K150 L151Y97-A147 HydrophobicContact CD1-CB 4.24Å; L100-A147 HydrophobicContact CB-CB 4.43Å; L100-A147 HydrophobicContact CD2-CB 4.04Å; L100-A147 HydrophobicContact CG-CB 4.06Å; I104-A147 HydrophobicContact CD1-CB 3.61Å; D143-A147 WeakPolarHBondContact O-CB 3.27Å; D143-A147 PolarHBondContact O-N 2.76Å; L144-A147 PolarHBondContact O-N 2.9Å; L144-A147 VanDerWaalsContact O-N 3.15Å; A147-K149 PolarHBondContact O-N 3.13Å; A147-K150 CarbonylContact O-C 3.57Å; A147-K150 WeakPolarHBondContact O-CA 3.43Å; A147-K150 WeakPolarHBondContact O-CB 3.48Å; A147-K150 PolarHBondContact O-N 3.44Å; A147-L151 WeakPolarHBondContact O-CG 3.47Å; A147-L151 PolarHBondContact O-N 3.39Å
148I92.8Very high87.1Confident2 Ų254 Ų541%0.0128%0.283CS..Hα-helixtrans-62.9-43178.2-65.1159.7000111.5I104 L121 L124 L144 R146 K150 L151 K152 F158 M160 V169I104-I148 HydrophobicContact CD1-CG1 4.05Å; I104-I148 HydrophobicContact CG2-CG1 4.24Å; L121-I148 HydrophobicContact CD1-CD1 4.45Å; L124-I148 HydrophobicContact CD2-CD1 3.99Å; L144-I148 WeakPolarHBondContact O-CD1 3.24Å; L144-I148 VanDerWaalsContact O-CG1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.46Å; R146-I148 VanDerWaalsContact C-N 3.32Å; R146-I148 PolarHBondContact O-N 3.48Å; I148-K150 PolarHBondContact O-N 3.47Å; I148-L151 WeakPolarHBondContact O-CB 3.45Å; I148-L151 PolarHBondContact O-N 3.2Å; I148-L151 VanDerWaalsContact O-N 3.1Å; I148-K152 PolarHBondContact O-N 3.47Å; I148-F158 HydrophobicContact CG2-CB 4.48Å; I148-M160 HydrophobicContact CB-CG 4.47Å; I148-M160 HydrophobicContact CB-SD 4.33Å; I148-M160 HydrophobicContact CD1-SD 4.5Å; I148-M160 HydrophobicContact CG2-CG 3.67Å; I148-M160 HydrophobicContact CG2-SD 4.13Å; I148-V169 HydrophobicContact CD1-CB 4.34Å; I148-V169 HydrophobicContact CD1-CG1 3.79Å; I148-V169 HydrophobicContact CD1-CG2 3.56Å; I148-V169 HydrophobicContact CG1-CG1 4.29Å; I148-V169 HydrophobicContact CG2-CG1 4.47Å
149K89.3Confident87.3Confident124 Ų12450.8 Ų50.854%0.53927%0.269SS..Hα-helixtrans-57.8-34.4173.8-76.3173.4-177.3176.20111.9V145 R146 A147 K152 M160V145-K149 HydrophobicContact CG1-CD 4.35Å; V145-K149 VanDerWaalsContact O-CG 3.3Å; V145-K149 WeakPolarHBondContact O-CG 3.41Å; V145-K149 PolarHBondContact O-N 2.97Å; R146-K149 PolarHBondContact O-N 3.03Å; A147-K149 PolarHBondContact O-N 3.13Å; K149-K152 WeakPolarHBondContact O-CB 3.45Å; K149-M160 HydrophobicContact CG-CE 3.98Å
150K85.1Confident87.4Confident56 Ų5653.3 Ų53.324%0.24328%0.281CS..Hα-helixtrans-74.5-39.2174-63.8-60.3-179.1168.10112.3D78 L80 R146 A147 I148 K152 V153D78-K150 IonicContact OD1-NZ 2.76Å; D78-K150 IonicContact OD2-NZ 3.12Å; D78-K150 PolarHBondContact OD2-NZ 3.1Å; L80-K150 VanDerWaalsContact CB-CE 3.48Å; L80-K150 PolarHBondContact O-NZ 3.17Å; R146-K150 WeakPolarHBondContact O-CG 3.45Å; R146-K150 PolarHBondContact O-N 3.15Å; R146-K150 VanDerWaalsContact O-N 3.07Å; A147-K150 CarbonylContact O-C 3.57Å; A147-K150 WeakPolarHBondContact O-CA 3.43Å; A147-K150 WeakPolarHBondContact O-CB 3.48Å; A147-K150 PolarHBondContact O-N 3.44Å; I148-K150 PolarHBondContact O-N 3.47Å; K150-K152 PolarHBondContact O-N 3.02Å; K150-V153 WeakPolarHBondContact O-CG2 3.42Å; K150-V153 PolarHBondContact O-N 3.29Å; K150-V153 VanDerWaalsContact O-N 3.11Å
151L88.1Confident87.3Confident15 Ų1552.8 Ų52.88%0.07928%0.277CS..Hα-helixtrans-59.3-31.9174.3-67.8179.6000112.5I104 I105 A147 I148 V153 M154 F158I104-L151 HydrophobicContact CB-CD1 4.4Å; I104-L151 HydrophobicContact CG2-CD1 4.06Å; I105-L151 HydrophobicContact CD1-CD1 4.36Å; I105-L151 HydrophobicContact CD1-CD2 3.76Å; I105-L151 HydrophobicContact CG1-CD1 4.01Å; I105-L151 HydrophobicContact CG1-CD2 4.33Å; A147-L151 WeakPolarHBondContact O-CG 3.47Å; A147-L151 PolarHBondContact O-N 3.39Å; I148-L151 WeakPolarHBondContact O-CB 3.45Å; I148-L151 PolarHBondContact O-N 3.2Å; I148-L151 VanDerWaalsContact O-N 3.1Å; L151-V153 PolarHBondContact O-N 2.94Å; L151-V153 VanDerWaalsContact O-N 3.12Å; L151-M154 HydrophobicContact CD2-SD 4.15Å; L151-M154 WeakPolarHBondContact O-CB 3.29Å; L151-M154 PolarHBondContact O-N 3.39Å; L151-F158 HydrophobicContact CB-CB 4.03Å; L151-F158 HydrophobicContact CB-CD2 4.22Å; L151-F158 HydrophobicContact CB-CG 4.05Å; L151-F158 HydrophobicContact CD1-CD1 4.01Å; L151-F158 HydrophobicContact CD1-CD2 4.31Å; L151-F158 HydrophobicContact CD1-CE1 4.09Å; L151-F158 HydrophobicContact CD1-CE2 4.4Å; L151-F158 HydrophobicContact CD1-CG 4.12Å; L151-F158 HydrophobicContact CD1-CZ 4.29Å
152K84.3Confident87.2Confident134 Ų13452.7 Ų52.758%0.58328%0.282SS*.G310 helixtrans-57.8-24.9176.1-167.7172.7-177.5176.40113.8I148 K149 K150 M154 G155I148-K152 PolarHBondContact O-N 3.47Å; K149-K152 WeakPolarHBondContact O-CB 3.45Å; K150-K152 PolarHBondContact O-N 3.02Å; K152-M154 PolarHBondContact O-N 3.35Å; K152-G155 PolarHBondContact O-N 2.89Å; K152-G155 VanDerWaalsContact O-O 3.1Å
153V79.1Confident87Confident122 Ų12250.3 Ų50.374%0.73927%0.27SS*.G310 helixtrans-70.5-17.8176.8-480000112.8K150 L151 G155K150-V153 WeakPolarHBondContact O-CG2 3.42Å; K150-V153 PolarHBondContact O-N 3.29Å; K150-V153 VanDerWaalsContact O-N 3.11Å; L151-V153 PolarHBondContact O-N 2.94Å; L151-V153 VanDerWaalsContact O-N 3.12Å; V153-G155 VanDerWaalsContact C-N 3.25Å; V153-G155 PolarHBondContact O-N 2.91Å
154M75.9Confident86.4Confident155 Ų15553.4 Ų53.476%0.76430%0.302SS*.G310 helixtrans-80.4-6.8177.8-58.6-178.267.100112.8L151 K152L151-M154 HydrophobicContact CD2-SD 4.15Å; L151-M154 WeakPolarHBondContact O-CB 3.29Å; L151-M154 PolarHBondContact O-N 3.39Å; K152-M154 PolarHBondContact O-N 3.35Å
155G76.6Confident85.8Confident32 Ų3257.5 Ų57.533%0.3334%0.344SS..  trans134.4-169.2177.800000112.7K152 V153 G157K152-G155 PolarHBondContact O-N 2.89Å; K152-G155 VanDerWaalsContact O-O 3.1Å; V153-G155 VanDerWaalsContact C-N 3.25Å; V153-G155 PolarHBondContact O-N 2.91Å; G155-G157 PolarHBondContact O-N 2.92Å
156N73.7Confident85.5Confident147 Ų14757.9 Ų57.979%0.78635%0.347SS*.THydrogen-bonded Turntrans-79.720.3-174.9-64.2-17.9000114.1
157G81.3Confident85.7Confident23 Ų2360.6 Ų60.624%0.23736%0.358CS..THydrogen-bonded Turntrans-81.4-28.2-177.100000114.1G155 S171 V172G155-G157 PolarHBondContact O-N 2.92Å; G157-S171 CarbonylContact O-C 3.54Å; G157-S171 WeakPolarHBondContact O-CA 3.42Å; G157-V172 PolarHBondContact O-N 3.49Å
158F90.4Very high85.7Confident29 Ų2960.5 Ų60.513%0.12736%0.358CS..  trans-120.3131.2-178.5-80.2-94.6000112.4I104 I105 C108 I148 L151 V169 Q170I104-F158 HydrophobicContact CG2-CE1 3.95Å; I105-F158 HydrophobicContact CB-CZ 4.33Å; I105-F158 HydrophobicContact CG1-CE2 3.8Å; I105-F158 HydrophobicContact CG1-CZ 3.66Å; C108-F158 HydrophobicContact CB-CE1 4.37Å; C108-F158 HydrophobicContact CB-CZ 4.41Å; I148-F158 HydrophobicContact CG2-CB 4.48Å; L151-F158 HydrophobicContact CB-CB 4.03Å; L151-F158 HydrophobicContact CB-CD2 4.22Å; L151-F158 HydrophobicContact CB-CG 4.05Å; L151-F158 HydrophobicContact CD1-CD1 4.01Å; L151-F158 HydrophobicContact CD1-CD2 4.31Å; L151-F158 HydrophobicContact CD1-CE1 4.09Å; L151-F158 HydrophobicContact CD1-CE2 4.4Å; L151-F158 HydrophobicContact CD1-CG 4.12Å; L151-F158 HydrophobicContact CD1-CZ 4.29Å; F158-V169 HydrophobicContact CD1-CG1 4.4Å; F158-Q170 CarbonylContact C-O 2.93Å; F158-Q170 VanDerWaalsContact CA-O 3.23Å; F158-Q170 WeakPolarHBondContact CA-O 3.41Å
159G90Very high85.8Confident13 Ų1360.4 Ų60.413%0.13436%0.357CS..EExtended strand (participates in β ladder)trans-142.6161.9-179.300000112V169 Q170G159-V169 WeakPolarHBondContact O-CA 3.37Å; G159-Q170 PolarHBondContact N-O 3.23Å; G159-Q170 PolarHBondContact O-N 2.94Å
160M91.7Very high86Confident55 Ų5555.8 Ų55.827%0.27134%0.337SS..EExtended strand (participates in β ladder)trans-124.6128.3169.8-63.4-176-52.300108.2V145 I148 K149 Y167 L168V145-M160 HydrophobicContact CB-SD 4.3Å; V145-M160 HydrophobicContact CG1-CE 3.98Å; V145-M160 HydrophobicContact CG1-SD 3.93Å; V145-M160 HydrophobicContact CG2-SD 4.2Å; I148-M160 HydrophobicContact CB-CG 4.47Å; I148-M160 HydrophobicContact CB-SD 4.33Å; I148-M160 HydrophobicContact CD1-SD 4.5Å; I148-M160 HydrophobicContact CG2-CG 3.67Å; I148-M160 HydrophobicContact CG2-SD 4.13Å; K149-M160 HydrophobicContact CG-CE 3.98Å; M160-Y167 HydrophobicContact CB-CD1 4.23Å; M160-L168 CarbonylContact C-O 3.59Å; M160-L168 WeakPolarHBondContact CA-O 3.47Å
161I91.2Very high86.3Confident12 Ų1254 Ų546%0.06233%0.332CS..EExtended strand (participates in β ladder)trans-111.8118-180-55173.1000106.7L118 V163 Y167 L168 Q170 L176 T181 L184L118-I161 HydrophobicContact CD2-CD1 3.99Å; I161-V163 HydrophobicContact CG2-CG1 4.42Å; I161-V163 PolarHBondContact O-N 3.49Å; I161-Y167 WeakPolarHBondContact O-CA 3.49Å; I161-L168 HydrophobicContact CB-CB 4.24Å; I161-L168 PolarHBondContact N-O 2.87Å; I161-L168 PolarHBondContact O-N 3.48Å; I161-Q170 HydrophobicContact CD1-CB 4.42Å; I161-L176 HydrophobicContact CD1-CD1 3.59Å; I161-T181 HydrophobicContact CG2-CG2 3.78Å; I161-L184 HydrophobicContact CD1-CD1 4.03Å; I161-L184 HydrophobicContact CG2-CD1 4.32Å
162P90.3Very high86.2Confident69 Ų6954.4 Ų54.445%0.44834%0.335SS..EExtended strand (participates in β ladder)trans-68.4123.8177.327.9-32.3000109.7Y167 Q185P162-Y167 HydrophobicContact CB-CD1 4.34Å; P162-Y167 HydrophobicContact CB-CE1 4.16Å; P162-Q185 PolarHBondContact O-NE2 2.65Å
163V86.8Confident86.1Confident2 Ų252.6 Ų52.61%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-127.9118.3172.7-65.60000109.2I161 G165 S166 L168 L184 Q185 E188I161-V163 HydrophobicContact CG2-CG1 4.42Å; I161-V163 PolarHBondContact O-N 3.49Å; V163-G165 PolarHBondContact O-N 3.34Å; V163-S166 PolarHBondContact N-O 3.47Å; V163-S166 VanDerWaalsContact N-O 3.14Å; V163-S166 CarbonylContact O-C 3.14Å; V163-S166 PolarHBondContact O-N 2.9Å; V163-L168 HydrophobicContact CG1-CD1 3.71Å; V163-L168 HydrophobicContact CG1-CG 4.06Å; V163-L168 HydrophobicContact CG2-CD1 4.29Å; V163-L168 HydrophobicContact CG2-CG 3.79Å; V163-L184 HydrophobicContact CG1-CB 4.26Å; V163-Q185 HydrophobicContact CB-CG 4.31Å; V163-Q185 HydrophobicContact CG1-CG 4.07Å; V163-E188 HydrophobicContact CB-CG 4.4Å; V163-E188 HydrophobicContact CG2-CG 4.4Å; V163-E188 VanDerWaalsContact O-OE1 3.13Å
164G79.3Confident86.1Confident65 Ų6547.6 Ų47.667%0.6731%0.309SS*.THydrogen-bonded Turntrans47.6-111.4-177.700000114.2E188G164-E188 WeakPolarHBondContact CA-OE2 3.46Å; G164-E188 PolarHBondContact N-OE2 3.1Å; G164-E188 VanDerWaalsContact N-OE2 3.11Å
165G81.4Confident86.4Confident86 Ų8648.7 Ų48.789%0.88731%0.312SS*.THydrogen-bonded Turntrans-97.60.4-178.700000115.1V163V163-G165 PolarHBondContact O-N 3.34Å
166S87.2Confident86.9Confident26 Ų2648.6 Ų48.618%0.18230%0.304CS..EExtended strand (participates in β ladder)trans-136.7-162.7-174.9-166.40000111.1D122 V163D122-S166 PolarHBondContact OD2-OG 3.08Å; V163-S166 PolarHBondContact N-O 3.47Å; V163-S166 VanDerWaalsContact N-O 3.14Å; V163-S166 CarbonylContact O-C 3.14Å; V163-S166 PolarHBondContact O-N 2.9Å
167Y92.1Very high87.7Confident104 Ų10445.6 Ų45.641%0.40829%0.287SS..EExtended strand (participates in β ladder)trans-131.9141.7179.6-65.3-89.6000111.2L121 M160 I161 P162L121-Y167 WeakPolarHBondContact CB-O 3.25Å; L121-Y167 HydrophobicContact CD2-CD2 4.28Å; L121-Y167 PolarHBondContact N-O 3.35Å; M160-Y167 HydrophobicContact CB-CD1 4.23Å; I161-Y167 WeakPolarHBondContact O-CA 3.49Å; P162-Y167 HydrophobicContact CB-CD1 4.34Å; P162-Y167 HydrophobicContact CB-CE1 4.16Å
168L93.4Very high88.2Confident0 Ų051 Ų510%031%0.309CS..EExtended strand (participates in β ladder)trans-90.7134.8158.9-76.3172.8000109I119 T120 M160 I161 V163 L184 A238 L239I119-L168 CarbonylContact O-C 3.54Å; I119-L168 WeakPolarHBondContact O-CA 3.48Å; T120-L168 HydrophobicContact CG2-CD2 3.86Å; M160-L168 CarbonylContact C-O 3.59Å; M160-L168 WeakPolarHBondContact CA-O 3.47Å; I161-L168 HydrophobicContact CB-CB 4.24Å; I161-L168 PolarHBondContact N-O 2.87Å; I161-L168 PolarHBondContact O-N 3.48Å; V163-L168 HydrophobicContact CG1-CD1 3.71Å; V163-L168 HydrophobicContact CG1-CG 4.06Å; V163-L168 HydrophobicContact CG2-CD1 4.29Å; V163-L168 HydrophobicContact CG2-CG 3.79Å; L168-L184 HydrophobicContact CD1-CB 4.35Å; L168-L184 HydrophobicContact CD1-CD1 4.22Å; L168-L184 HydrophobicContact CD1-CD2 4.46Å; L168-A238 HydrophobicContact CD2-CB 4.43Å; L168-L239 HydrophobicContact CD1-CD2 4.25Å; L168-L239 HydrophobicContact CD2-CD2 3.86Å; L168-L239 HydrophobicContact CG-CD2 4.38Å
169V94.4Very high88.4Confident0 Ų051.2 Ų51.20%031%0.311CS..EExtended strand (participates in β ladder)trans-95.3122.4172-175.70000108.3L118 I119 L121 L124 I148 F158 G159L118-V169 WeakPolarHBondContact CA-O 3.43Å; I119-V169 HydrophobicContact CG2-CB 3.89Å; I119-V169 PolarHBondContact N-O 2.76Å; I119-V169 PolarHBondContact O-N 3.05Å; L121-V169 HydrophobicContact CD1-CG2 4.22Å; L124-V169 HydrophobicContact CD2-CB 4.29Å; L124-V169 HydrophobicContact CD2-CG1 4.28Å; L124-V169 HydrophobicContact CD2-CG2 3.82Å; I148-V169 HydrophobicContact CD1-CB 4.34Å; I148-V169 HydrophobicContact CD1-CG1 3.79Å; I148-V169 HydrophobicContact CD1-CG2 3.56Å; I148-V169 HydrophobicContact CG1-CG1 4.29Å; I148-V169 HydrophobicContact CG2-CG1 4.47Å; F158-V169 HydrophobicContact CD1-CG1 4.4Å; G159-V169 WeakPolarHBondContact O-CA 3.37Å
170Q93.4Very high88.6Confident26 Ų2651 Ų5112%0.12131%0.306CS..EExtended strand (participates in β ladder)trans-94.8127.5172.3-178.3-179.223.500108.5G117 L118 F158 G159 I161 V172 A174G117-Q170 WeakPolarHBondContact O-CA 3.27Å; L118-Q170 HydrophobicContact CD2-CB 3.85Å; L118-Q170 HydrophobicContact CD2-CG 4.2Å; F158-Q170 CarbonylContact C-O 2.93Å; F158-Q170 VanDerWaalsContact CA-O 3.23Å; F158-Q170 WeakPolarHBondContact CA-O 3.41Å; G159-Q170 PolarHBondContact N-O 3.23Å; G159-Q170 PolarHBondContact O-N 2.94Å; I161-Q170 HydrophobicContact CD1-CB 4.42Å; Q170-V172 WeakPolarHBondContact CG-O 3.35Å; Q170-V172 PolarHBondContact NE2-O 3.33Å; Q170-V172 VanDerWaalsContact NE2-O 3.13Å; Q170-A174 PolarHBondContact NE2-O 3.5Å; Q170-A174 VanDerWaalsContact NE2-O 3.08Å
171S92.1Very high88.6Confident20 Ų2049.5 Ų49.514%0.1430%0.3CS..  trans-120.12.3-178.7690000114C108 G117 G157C108-S171 VanDerWaalsContact CB-CB 3.44Å; G117-S171 PolarHBondContact O-N 3.32Å; G117-S171 PolarHBondContact O-OG 2.97Å; G157-S171 CarbonylContact O-C 3.54Å; G157-S171 WeakPolarHBondContact O-CA 3.42Å
172V86.4Confident88.8Confident23 Ų2350.6 Ų50.614%0.13931%0.308CS..SBendtrans-126.4141.8173.3-62.60000109.2K112 G116 G157 Q170 A174K112-V172 HydrophobicContact CD-CG1 3.84Å; K112-V172 HydrophobicContact CG-CG1 4.19Å; G116-V172 WeakPolarHBondContact O-CG2 3.45Å; G157-V172 PolarHBondContact O-N 3.49Å; Q170-V172 WeakPolarHBondContact CG-O 3.35Å; Q170-V172 PolarHBondContact NE2-O 3.33Å; Q170-V172 VanDerWaalsContact NE2-O 3.13Å; V172-A174 PolarHBondContact O-N 2.88Å
173P81.1Confident89Confident95 Ų9547.3 Ų47.362%0.61729%0.286SS*.  trans-60.3114.7170.8-19.231.1000109.3
174A80.1Confident89.3Confident18 Ų1847.2 Ų47.215%0.14929%0.286CS..  trans-139.3136.6167.700000108Q170 V172 L176Q170-A174 PolarHBondContact NE2-O 3.5Å; Q170-A174 VanDerWaalsContact NE2-O 3.08Å; V172-A174 PolarHBondContact O-N 2.88Å; A174-L176 HydrophobicContact CB-CG 4.25Å; A174-L176 PolarHBondContact O-N 3.35Å
175E81.7Confident89.9Confident177 Ų17747.7 Ų47.783%0.82727%0.27SS*.  trans-79.172.2-179.7-66.6-170.4174.800110.6N177E175-N177 PolarHBondContact O-N 3.45Å
176L87Confident90.5Very high31 Ų3145.4 Ų45.416%0.16224%0.238CC..  trans-82.9105.4175.5-59.8178.6000109.6I161 A174 H180 L184 L216 L221I161-L176 HydrophobicContact CD1-CD1 3.59Å; A174-L176 HydrophobicContact CB-CG 4.25Å; A174-L176 PolarHBondContact O-N 3.35Å; L176-H180 HydrophobicContact CB-CB 4.12Å; L176-H180 HydrophobicContact CD2-CB 3.83Å; L176-L184 HydrophobicContact CD1-CD1 4.33Å; L176-L216 HydrophobicContact CD2-CD2 4.26Å; L176-L221 HydrophobicContact CD1-CD1 4.22Å; L176-L221 HydrophobicContact CD2-CD1 3.87Å
177N90.2Very high90.8Very high83 Ų8344.2 Ų44.244%0.44423%0.229SC..  trans-76.1-177.9170.973.717.4000112.1E175 D179 H180 T181E175-N177 PolarHBondContact O-N 3.45Å; N177-D179 PolarHBondContact O-N 3.36Å; N177-D179 WeakPolarHBondContact OD1-CA 3.44Å; N177-D179 VanDerWaalsContact OD1-CB 3.31Å; N177-D179 WeakPolarHBondContact OD1-CB 3.21Å; N177-D179 PolarHBondContact OD1-N 3.04Å; N177-H180 VanDerWaalsContact CG-ND1 3.29Å; N177-H180 PolarHBondContact N-ND1 3.08Å; N177-H180 VanDerWaalsContact N-ND1 3.18Å; N177-H180 PolarHBondContact O-N 2.81Å; N177-H180 PolarHBondContact OD1-CE1 2.9Å; N177-H180 PolarHBondContact OD1-N 3.1Å; N177-H180 PolarHBondContact OD1-ND1 3.37Å; N177-T181 PolarHBondContact O-N 3.02Å; N177-T181 PolarHBondContact O-OG1 3.19Å
178M91.4Very high90.6Very high138 Ų13842.1 Ų42.168%0.6822%0.223SC*.Hα-helixtrans-58.7-35179-170.763.672.600112.7H180 T181 V182M178-H180 PolarHBondContact O-N 3.23Å; M178-T181 WeakPolarHBondContact O-CB 3.22Å; M178-T181 PolarHBondContact O-N 3.25Å; M178-V182 HydrophobicContact CG-CG2 4.42Å; M178-V182 WeakPolarHBondContact O-CG2 3.39Å; M178-V182 PolarHBondContact O-N 2.96Å
179D94.8Very high90.1Very high32 Ų3251.5 Ų51.517%0.17126%0.264CS..Hα-helixtrans-65.6-43.7-178-715.4000111.5N177 T181 V182 V183 W204 R208 V212N177-D179 PolarHBondContact O-N 3.36Å; N177-D179 WeakPolarHBondContact OD1-CA 3.44Å; N177-D179 VanDerWaalsContact OD1-CB 3.31Å; N177-D179 WeakPolarHBondContact OD1-CB 3.21Å; N177-D179 PolarHBondContact OD1-N 3.04Å; D179-T181 VanDerWaalsContact C-N 3.3Å; D179-T181 PolarHBondContact O-N 3.03Å; D179-V182 PolarHBondContact O-N 3.02Å; D179-V183 WeakPolarHBondContact O-CG2 3.46Å; D179-V183 PolarHBondContact O-N 3.14Å; D179-W204 HydrophobicContact CB-CH2 3.43Å; D179-W204 VanDerWaalsContact CB-CH2 3.43Å; D179-W204 HydrophobicContact CB-CZ2 4.25Å; D179-W204 HydrophobicContact CB-CZ3 3.96Å; D179-R208 IonicContact OD1-CZ 3.08Å; D179-R208 IonicContact OD1-NE 3.3Å; D179-R208 IonicContact OD1-NH2 2.68Å; D179-R208 PolarHBondContact OD1-NH2 3.04Å; D179-R208 IonicContact OD2-CZ 3.65Å; D179-R208 VanDerWaalsContact OD2-CZ 3.3Å; D179-R208 IonicContact OD2-NE 3.3Å; D179-R208 PolarHBondContact OD2-NE 3.35Å; D179-R208 IonicContact OD2-NH2 3.57Å; D179-R208 PolarHBondContact OD2-NH2 3.35Å; D179-V212 HydrophobicContact CB-CG2 3.73Å
180H93.9Very high89.8Confident9 Ų956.4 Ų56.44%0.04229%0.285CS..Hα-helixtrans-59.1-45173.1-56.694.1000110.8L176 N177 M178 V182 V183 L184 H215L176-H180 HydrophobicContact CB-CB 4.12Å; L176-H180 HydrophobicContact CD2-CB 3.83Å; N177-H180 VanDerWaalsContact CG-ND1 3.29Å; N177-H180 PolarHBondContact N-ND1 3.08Å; N177-H180 VanDerWaalsContact N-ND1 3.18Å; N177-H180 PolarHBondContact O-N 2.81Å; N177-H180 PolarHBondContact OD1-CE1 2.9Å; N177-H180 PolarHBondContact OD1-N 3.1Å; N177-H180 PolarHBondContact OD1-ND1 3.37Å; M178-H180 PolarHBondContact O-N 3.23Å; H180-V182 VanDerWaalsContact C-N 3.32Å; H180-V182 PolarHBondContact O-N 3.06Å; H180-V183 PolarHBondContact O-N 3.36Å; H180-V183 VanDerWaalsContact O-N 3.16Å; H180-L184 VanDerWaalsContact O-CG 3.27Å; H180-L184 WeakPolarHBondContact O-CG 3.29Å; H180-L184 PolarHBondContact O-N 3.13Å; H180-H215 AromaticContact CD2-ND1 3.65Å; H180-H215 AromaticContact CE1-ND1 3.77Å; H180-H215 WeakPolarHBondContact NE2-CB 3.49Å; H180-H215 AromaticContact NE2-CE1 3.86Å; H180-H215 AromaticContact NE2-CG 3.27Å; H180-H215 VanDerWaalsContact NE2-CG 3.27Å; H180-H215 AromaticContact NE2-ND1 3.1Å; H180-H215 PolarHBondContact NE2-ND1 3.2Å
181T92.4Very high89.7Confident23 Ų2355.3 Ų55.314%0.14128%0.281CS..Hα-helixtrans-58.5-43.6-180-58.80000111.9I161 N177 M178 D179 L184 Q185I161-T181 HydrophobicContact CG2-CG2 3.78Å; N177-T181 PolarHBondContact O-N 3.02Å; N177-T181 PolarHBondContact O-OG1 3.19Å; M178-T181 WeakPolarHBondContact O-CB 3.22Å; M178-T181 PolarHBondContact O-N 3.25Å; D179-T181 VanDerWaalsContact C-N 3.3Å; D179-T181 PolarHBondContact O-N 3.03Å; T181-L184 PolarHBondContact O-N 3.41Å; T181-Q185 VanDerWaalsContact O-CG 3.32Å; T181-Q185 WeakPolarHBondContact O-CG 3.34Å; T181-Q185 PolarHBondContact O-N 2.97Å
182V94.4Very high89.8Confident36 Ų3656.8 Ų56.822%0.21828%0.284CS..Hα-helixtrans-68.6-36.4178.8179.70000111.4M178 D179 H180 Q185 L186 L202M178-V182 HydrophobicContact CG-CG2 4.42Å; M178-V182 WeakPolarHBondContact O-CG2 3.39Å; M178-V182 PolarHBondContact O-N 2.96Å; D179-V182 PolarHBondContact O-N 3.02Å; H180-V182 VanDerWaalsContact C-N 3.32Å; H180-V182 PolarHBondContact O-N 3.06Å; V182-Q185 WeakPolarHBondContact O-CB 3.47Å; V182-Q185 PolarHBondContact O-N 3.33Å; V182-L186 PolarHBondContact O-N 3.31Å; V182-L202 HydrophobicContact CB-CD1 4.4Å; V182-L202 HydrophobicContact CG1-CD1 3.52Å; V182-L202 HydrophobicContact CG1-CD2 3.48Å; V182-L202 VanDerWaalsContact CG1-CD2 3.48Å; V182-L202 HydrophobicContact CG1-CG 4.16Å
183V95.1Very high90.2Very high0 Ų055.7 Ų55.70%028%0.277CS..Hα-helixtrans-68.1-39.6174.4171.70000111.7D179 H180 Q185 L186 A187 V193 I198 L202 W204 V212 L213 L216D179-V183 WeakPolarHBondContact O-CG2 3.46Å; D179-V183 PolarHBondContact O-N 3.14Å; H180-V183 PolarHBondContact O-N 3.36Å; H180-V183 VanDerWaalsContact O-N 3.16Å; V183-Q185 VanDerWaalsContact C-N 3.31Å; V183-Q185 PolarHBondContact O-N 3.26Å; V183-L186 WeakPolarHBondContact O-CB 3.17Å; V183-L186 PolarHBondContact O-N 3.11Å; V183-A187 PolarHBondContact O-N 2.84Å; V183-V193 HydrophobicContact CG1-CG1 3.94Å; V183-V193 HydrophobicContact CG1-CG2 4.29Å; V183-I198 HydrophobicContact CG1-CD1 4.09Å; V183-I198 HydrophobicContact CG2-CD1 3.93Å; V183-I198 HydrophobicContact CG2-CG1 4.27Å; V183-L202 HydrophobicContact CG2-CD1 4.34Å; V183-W204 HydrophobicContact CG2-CH2 4.25Å; V183-W204 HydrophobicContact CG2-CZ3 3.94Å; V183-V212 HydrophobicContact CB-CG1 4.02Å; V183-V212 HydrophobicContact CG1-CG1 4.32Å; V183-V212 HydrophobicContact CG2-CG1 3.75Å; V183-L213 HydrophobicContact CG1-CD2 4.45Å; V183-L216 HydrophobicContact CG1-CD1 4.08Å
184L93.6Very high91Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-59.6-42.4172.7-68.4176.9000111.5L118 I161 V163 L168 L176 H180 T181 A187 E188 L236L118-L184 HydrophobicContact CD1-CD1 4.23Å; L118-L184 HydrophobicContact CD1-CD2 4.15Å; I161-L184 HydrophobicContact CD1-CD1 4.03Å; I161-L184 HydrophobicContact CG2-CD1 4.32Å; V163-L184 HydrophobicContact CG1-CB 4.26Å; L168-L184 HydrophobicContact CD1-CB 4.35Å; L168-L184 HydrophobicContact CD1-CD1 4.22Å; L168-L184 HydrophobicContact CD1-CD2 4.46Å; L176-L184 HydrophobicContact CD1-CD1 4.33Å; H180-L184 VanDerWaalsContact O-CG 3.27Å; H180-L184 WeakPolarHBondContact O-CG 3.29Å; H180-L184 PolarHBondContact O-N 3.13Å; T181-L184 PolarHBondContact O-N 3.41Å; L184-A187 PolarHBondContact O-N 2.94Å; L184-E188 PolarHBondContact O-N 2.81Å; L184-E188 VanDerWaalsContact O-N 3.15Å; L184-L236 HydrophobicContact CD2-CD2 3.13Å
185Q92.6Very high91.8Very high75 Ų7551.6 Ų51.635%0.3525%0.249SC..Hα-helixtrans-63.1-40.2175-75.8172-3.400112.5P162 V163 T181 V182 V183 A187 E188P162-Q185 PolarHBondContact O-NE2 2.65Å; V163-Q185 HydrophobicContact CB-CG 4.31Å; V163-Q185 HydrophobicContact CG1-CG 4.07Å; T181-Q185 VanDerWaalsContact O-CG 3.32Å; T181-Q185 WeakPolarHBondContact O-CG 3.34Å; T181-Q185 PolarHBondContact O-N 2.97Å; V182-Q185 WeakPolarHBondContact O-CB 3.47Å; V182-Q185 PolarHBondContact O-N 3.33Å; V183-Q185 VanDerWaalsContact C-N 3.31Å; V183-Q185 PolarHBondContact O-N 3.26Å; Q185-A187 VanDerWaalsContact C-N 3.32Å; Q185-A187 PolarHBondContact O-N 3.34Å; Q185-E188 WeakPolarHBondContact O-CB 3.38Å; Q185-E188 PolarHBondContact O-N 2.99Å
186L93.3Very high92.4Very high38 Ų3845 Ų4520%0.19922%0.222CC..Hα-helixtrans-64.2-40.1177.4-17461.5000111.4V182 V183 E188 V193 E197 I198 L202V182-L186 PolarHBondContact O-N 3.31Å; V183-L186 WeakPolarHBondContact O-CB 3.17Å; V183-L186 PolarHBondContact O-N 3.11Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-E188 PolarHBondContact O-N 2.54Å; L186-V193 HydrophobicContact CD2-CG2 4.27Å; L186-E197 HydrophobicContact CD2-CG 4.09Å; L186-E197 HydrophobicContact CG-CG 4.38Å; L186-I198 HydrophobicContact CD2-CG1 4Å; L186-L202 HydrophobicContact CD2-CG 4.47Å
187A92.4Very high92.8Very high0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-75.3-17.9-179.500000114.2V183 L184 Q185 K189 K190 G191 V193 L236 L239V183-A187 PolarHBondContact O-N 2.84Å; L184-A187 PolarHBondContact O-N 2.94Å; Q185-A187 VanDerWaalsContact C-N 3.32Å; Q185-A187 PolarHBondContact O-N 3.34Å; A187-K189 PolarHBondContact O-N 3.22Å; A187-K190 PolarHBondContact O-N 3.1Å; A187-K190 VanDerWaalsContact O-N 3.09Å; A187-G191 WeakPolarHBondContact O-CA 3.11Å; A187-G191 PolarHBondContact O-N 2.99Å; A187-V193 HydrophobicContact CB-CB 4.23Å; A187-V193 HydrophobicContact CB-CG1 4.2Å; A187-L236 HydrophobicContact CB-CD1 3.6Å; A187-L239 HydrophobicContact CB-CD1 3.77Å
188E88.5Confident93.1Very high61 Ų6141.1 Ų41.129%0.28520%0.201SC..THydrogen-bonded Turntrans-47.8-39.8-174.8-171.8-167.3-176.900113.3V163 G164 L184 Q185 L186V163-E188 HydrophobicContact CB-CG 4.4Å; V163-E188 HydrophobicContact CG2-CG 4.4Å; V163-E188 VanDerWaalsContact O-OE1 3.13Å; G164-E188 WeakPolarHBondContact CA-OE2 3.46Å; G164-E188 PolarHBondContact N-OE2 3.1Å; G164-E188 VanDerWaalsContact N-OE2 3.11Å; L184-E188 PolarHBondContact O-N 2.81Å; L184-E188 VanDerWaalsContact O-N 3.15Å; Q185-E188 WeakPolarHBondContact O-CB 3.38Å; Q185-E188 PolarHBondContact O-N 2.99Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-E188 PolarHBondContact O-N 2.54Å
189K82.9Confident93.4Very high197 Ų19740.1 Ų40.186%0.85719%0.189SC*.THydrogen-bonded Turntrans-79.5-31.2-175.5-66.3-176.1179.9178.30114.5A187A187-K189 PolarHBondContact O-N 3.22Å
190K88.9Confident93.5Very high102 Ų10245.1 Ų45.144%0.44321%0.212SC..THydrogen-bonded Turntrans-108.5-19.9-172.5-68.6178.7-179168.50113.1A187 Y192 E197A187-K190 PolarHBondContact O-N 3.1Å; A187-K190 VanDerWaalsContact O-N 3.09Å; K190-Y192 HydrophobicContact CB-CD1 4Å; K190-Y192 HydrophobicContact CB-CE1 3.95Å; K190-Y192 HydrophobicContact CD-CE1 4.42Å; K190-Y192 HydrophobicContact CD-CE2 4.38Å; K190-Y192 WeakPolarHBondContact O-CD1 3.34Å; K190-Y192 PolarHBondContact O-N 3.12Å; K190-E197 IonicContact NZ-OE1 2.79Å; K190-E197 PolarHBondContact NZ-OE1 3.5Å; K190-E197 IonicContact NZ-OE2 3.36Å; K190-E197 PolarHBondContact NZ-OE2 3.22Å; K190-E197 VanDerWaalsContact NZ-OE2 3.14Å
191G91.1Very high93.6Very high3 Ų347.8 Ų47.83%0.03123%0.231CC..SBendtrans78-6.5-169.800000114.2A187 L236A187-G191 WeakPolarHBondContact O-CA 3.11Å; A187-G191 PolarHBondContact O-N 2.99Å; G191-L236 PolarHBondContact O-N 3.37Å
192Y93.9Very high93.7Very high52 Ų5248.8 Ų48.820%0.20424%0.235CC..EExtended strand (participates in β ladder)trans-141.1169.9176.471.1-91.7000111.5K190 Q233 Y234 W235K190-Y192 HydrophobicContact CB-CD1 4Å; K190-Y192 HydrophobicContact CB-CE1 3.95Å; K190-Y192 HydrophobicContact CD-CE1 4.42Å; K190-Y192 HydrophobicContact CD-CE2 4.38Å; K190-Y192 WeakPolarHBondContact O-CD1 3.34Å; K190-Y192 PolarHBondContact O-N 3.12Å; Y192-Q233 HydrophobicContact CD2-CB 3.91Å; Y192-Q233 HydrophobicContact CD2-CG 3.76Å; Y192-Q233 HydrophobicContact CE2-CB 4.48Å; Y192-Q233 VanDerWaalsContact CE2-CD 3.41Å; Y192-Q233 HydrophobicContact CE2-CG 3.83Å; Y192-Q233 HydrophobicContact CG-CB 4.41Å; Y192-Y234 CarbonylContact C-O 3.57Å; Y192-Y234 WeakPolarHBondContact CA-O 3.41Å; Y192-Y234 WeakPolarHBondContact CB-O 3.28Å; Y192-W235 HydrophobicContact CD1-CD2 4.12Å; Y192-W235 AromaticContact CD1-CE2 3.87Å; Y192-W235 AromaticContact CD1-CE3 3.97Å; Y192-W235 HydrophobicContact CD1-CE3 3.97Å; Y192-W235 AromaticContact CD1-CH2 3.36Å; Y192-W235 HydrophobicContact CD1-CH2 3.36Å; Y192-W235 AromaticContact CD1-CZ2 3.5Å; Y192-W235 HydrophobicContact CD1-CZ2 3.5Å; Y192-W235 AromaticContact CD1-CZ3 3.6Å; Y192-W235 HydrophobicContact CD1-CZ3 3.6Å; Y192-W235 AromaticContact CE1-CH2 3.78Å; Y192-W235 HydrophobicContact CE1-CH2 3.78Å; Y192-W235 AromaticContact CE1-CZ2 3.93Å; Y192-W235 HydrophobicContact CE1-CZ2 3.93Å; Y192-W235 HydrophobicContact CE1-CZ3 4.39Å; Y192-W235 HydrophobicContact CG-CD2 4.15Å; Y192-W235 AromaticContact CG-CE2 3.99Å; Y192-W235 HydrophobicContact CG-CE3 4.34Å; Y192-W235 HydrophobicContact CG-CH2 4.28Å; Y192-W235 HydrophobicContact CG-CZ2 4.07Å; Y192-W235 HydrophobicContact CG-CZ3 4.41Å
193V95.6Very high93.9Very high0 Ų055 Ų550%026%0.26CS..EExtended strand (participates in β ladder)trans-144.3149.8177.447.20000109.9V183 L186 A187 I198 L213 Y234 L236V183-V193 HydrophobicContact CG1-CG1 3.94Å; V183-V193 HydrophobicContact CG1-CG2 4.29Å; L186-V193 HydrophobicContact CD2-CG2 4.27Å; A187-V193 HydrophobicContact CB-CB 4.23Å; A187-V193 HydrophobicContact CB-CG1 4.2Å; V193-I198 HydrophobicContact CG2-CD1 3.48Å; V193-I198 VanDerWaalsContact CG2-CD1 3.48Å; V193-I198 HydrophobicContact CG2-CG1 3.31Å; V193-L213 HydrophobicContact CG1-CD2 3.9Å; V193-Y234 PolarHBondContact N-O 3.19Å; V193-Y234 WeakPolarHBondContact O-CB 3.17Å; V193-Y234 PolarHBondContact O-N 3.35Å; V193-L236 HydrophobicContact CG1-CD1 3.92Å
194S96.3Very high94Very high9 Ų956.7 Ų56.76%0.06327%0.266CS..EExtended strand (participates in β ladder)trans-119.5164.6172.975.70000112.3S196 E197 I198 E231S194-S196 VanDerWaalsContact C-N 3.34Å; S194-S196 PolarHBondContact O-N 2.88Å; S194-E197 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact OG-CB 3.21Å; S194-E197 PolarHBondContact OG-N 3Å; S194-E197 VanDerWaalsContact OG-N 3.17Å; S194-I198 WeakPolarHBondContact O-CG1 3.29Å; S194-I198 PolarHBondContact O-N 3.42Å; S194-I198 VanDerWaalsContact O-N 3.1Å; S194-E231 WeakPolarHBondContact CB-OE1 3.32Å; S194-E231 VanDerWaalsContact OG-CD 3.29Å; S194-E231 PolarHBondContact OG-OE1 3.47Å
195V97Very high94.2Very high18 Ų1863.6 Ų63.611%0.10930%0.298CS..Hα-helixtrans-62.2-43.5178.2179.40000110.6I198 R199 R206 A209 L213 Y234V195-I198 PolarHBondContact O-N 2.93Å; V195-R199 VanDerWaalsContact O-CG 3.24Å; V195-R199 WeakPolarHBondContact O-CG 3.42Å; V195-R199 PolarHBondContact O-N 3.48Å; V195-R199 VanDerWaalsContact O-N 3.13Å; V195-R206 HydrophobicContact CG1-CG 3.95Å; V195-A209 HydrophobicContact CG1-CB 4.33Å; V195-L213 HydrophobicContact CG2-CD1 3.7Å; V195-Y234 HydrophobicContact CG2-CE2 4.23Å
196S95.8Very high94.4Very high39 Ų3968 Ų6827%0.27331%0.311SS..Hα-helixtrans-67.3-39.5-179.7-50.90000111.6S194 I198 R199 E200 E231S194-S196 VanDerWaalsContact C-N 3.34Å; S194-S196 PolarHBondContact O-N 2.88Å; S196-I198 PolarHBondContact O-N 2.92Å; S196-R199 PolarHBondContact O-N 2.96Å; S196-E200 WeakPolarHBondContact O-CB 3.33Å; S196-E200 WeakPolarHBondContact O-CG 3.44Å; S196-E200 PolarHBondContact O-N 2.99Å; S196-E231 WeakPolarHBondContact CB-OE1 3.38Å; S196-E231 WeakPolarHBondContact CB-OE2 3.44Å; S196-E231 PolarHBondContact N-OE2 3.08Å; S196-E231 VanDerWaalsContact N-OE2 3.11Å; S196-E231 VanDerWaalsContact OG-CD 3.28Å; S196-E231 PolarHBondContact OG-OE1 3.43Å; S196-E231 PolarHBondContact OG-OE2 2.9Å
197E95.3Very high94.5Very high31 Ų3172.9 Ų72.915%0.14533%0.334CS..Hα-helixtrans-61.6-42.4176.9-179.5166.8-15600112.6L186 K190 S194 E200 S201L186-E197 HydrophobicContact CD2-CG 4.09Å; L186-E197 HydrophobicContact CG-CG 4.38Å; K190-E197 IonicContact NZ-OE1 2.79Å; K190-E197 PolarHBondContact NZ-OE1 3.5Å; K190-E197 IonicContact NZ-OE2 3.36Å; K190-E197 PolarHBondContact NZ-OE2 3.22Å; K190-E197 VanDerWaalsContact NZ-OE2 3.14Å; S194-E197 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact OG-CB 3.21Å; S194-E197 PolarHBondContact OG-N 3Å; S194-E197 VanDerWaalsContact OG-N 3.17Å; E197-E200 PolarHBondContact O-N 3.36Å; E197-S201 WeakPolarHBondContact O-CB 3.23Å; E197-S201 PolarHBondContact O-N 3.31Å; E197-S201 PolarHBondContact O-OG 3.11Å
198I96.8Very high94.8Very high0 Ų078 Ų780%035%0.353CS..Hα-helixtrans-60.5-47.8174.5-70.7170.6000110.5V183 L186 V193 S194 V195 S196 E200 L202 W204 A209 L213V183-I198 HydrophobicContact CG1-CD1 4.09Å; V183-I198 HydrophobicContact CG2-CD1 3.93Å; V183-I198 HydrophobicContact CG2-CG1 4.27Å; L186-I198 HydrophobicContact CD2-CG1 4Å; V193-I198 HydrophobicContact CG2-CD1 3.48Å; V193-I198 VanDerWaalsContact CG2-CD1 3.48Å; V193-I198 HydrophobicContact CG2-CG1 3.31Å; S194-I198 WeakPolarHBondContact O-CG1 3.29Å; S194-I198 PolarHBondContact O-N 3.42Å; S194-I198 VanDerWaalsContact O-N 3.1Å; V195-I198 PolarHBondContact O-N 2.93Å; S196-I198 PolarHBondContact O-N 2.92Å; I198-E200 VanDerWaalsContact C-N 3.35Å; I198-E200 PolarHBondContact O-N 3.07Å; I198-L202 HydrophobicContact CG2-CD1 4.14Å; I198-L202 WeakPolarHBondContact O-CA 3.15Å; I198-L202 VanDerWaalsContact O-CB 3.27Å; I198-L202 WeakPolarHBondContact O-CB 3.39Å; I198-L202 PolarHBondContact O-N 3.37Å; I198-W204 HydrophobicContact CG2-CB 4.37Å; I198-W204 HydrophobicContact CG2-CD2 4.34Å; I198-W204 HydrophobicContact CG2-CE3 3.76Å; I198-W204 HydrophobicContact CG2-CZ3 4.35Å; I198-A209 HydrophobicContact CB-CB 4.04Å; I198-A209 HydrophobicContact CD1-CB 4.23Å; I198-A209 HydrophobicContact CG2-CB 3.53Å; I198-L213 HydrophobicContact CD1-CD1 3.89Å; I198-L213 HydrophobicContact CD1-CD2 3.95Å; I198-L213 HydrophobicContact CD1-CG 3.92Å
199R97.4Very high95.2Very high118 Ų11875.1 Ų75.145%0.44534%0.339SS..Hα-helixtrans-64.1-41.9-178.1-68.7174.767-147.1-1.6111.5V195 S196 K203 W204V195-R199 VanDerWaalsContact O-CG 3.24Å; V195-R199 WeakPolarHBondContact O-CG 3.42Å; V195-R199 PolarHBondContact O-N 3.48Å; V195-R199 VanDerWaalsContact O-N 3.13Å; S196-R199 PolarHBondContact O-N 2.96Å; R199-K203 WeakPolarHBondContact O-CA 3.4Å; R199-K203 PolarHBondContact O-N 3.38Å; R199-W204 WeakPolarHBondContact CG-O 3.06Å
200E96.3Very high95.8Very high137 Ų13767.1 Ų67.164%0.6431%0.308SS*.Hα-helixtrans-71.3-44.2-178.7-73.6178.6-171.400112.3S196 E197 I198 K203S196-E200 WeakPolarHBondContact O-CB 3.33Å; S196-E200 WeakPolarHBondContact O-CG 3.44Å; S196-E200 PolarHBondContact O-N 2.99Å; E197-E200 PolarHBondContact O-N 3.36Å; I198-E200 VanDerWaalsContact C-N 3.35Å; I198-E200 PolarHBondContact O-N 3.07Å; E200-K203 WeakPolarHBondContact O-CE 3.11Å; E200-K203 PolarHBondContact O-NZ 3.01Å
201S95.7Very high96.2Very high65 Ų6568.7 Ų68.746%0.45532%0.316SS..Hα-helixtrans-78.7-43.5-175.5-55.60000112.4E197E197-S201 WeakPolarHBondContact O-CB 3.23Å; E197-S201 PolarHBondContact O-N 3.31Å; E197-S201 PolarHBondContact O-OG 3.11Å
202L95.6Very high96.5Very high43 Ų4368.8 Ų68.823%0.22532%0.317CS..Hα-helixtrans-99.1-5.8-174.9-52.2-175.3000113.7V182 V183 L186 I198 W204V182-L202 HydrophobicContact CB-CD1 4.4Å; V182-L202 HydrophobicContact CG1-CD1 3.52Å; V182-L202 HydrophobicContact CG1-CD2 3.48Å; V182-L202 VanDerWaalsContact CG1-CD2 3.48Å; V182-L202 HydrophobicContact CG1-CG 4.16Å; V183-L202 HydrophobicContact CG2-CD1 4.34Å; L186-L202 HydrophobicContact CD2-CG 4.47Å; I198-L202 HydrophobicContact CG2-CD1 4.14Å; I198-L202 WeakPolarHBondContact O-CA 3.15Å; I198-L202 VanDerWaalsContact O-CB 3.27Å; I198-L202 WeakPolarHBondContact O-CB 3.39Å; I198-L202 PolarHBondContact O-N 3.37Å; L202-W204 HydrophobicContact CB-CD2 4.05Å; L202-W204 HydrophobicContact CB-CG 3.92Å; L202-W204 HydrophobicContact CD1-CD2 4.13Å; L202-W204 HydrophobicContact CD1-CE3 4.24Å; L202-W204 HydrophobicContact CD1-CH2 3.87Å; L202-W204 HydrophobicContact CD1-CZ2 3.81Å; L202-W204 HydrophobicContact CD1-CZ3 4.11Å; L202-W204 PolarHBondContact O-N 3.38Å
203K96.9Very high96.6Very high168 Ų16866.3 Ų66.373%0.7331%0.307SS*.  trans56.634.9-175.4-52.9-54.3-176.4-159.80113R199 E200R199-K203 WeakPolarHBondContact O-CA 3.4Å; R199-K203 PolarHBondContact O-N 3.38Å; E200-K203 WeakPolarHBondContact O-CE 3.11Å; E200-K203 PolarHBondContact O-NZ 3.01Å
204W97.6Very high96.7Very high34 Ų3469.4 Ų69.413%0.12932%0.324CS..  trans-87.8156.7179.2-72.26.8000112.7D179 V183 I198 R199 L202 R208 V212D179-W204 HydrophobicContact CB-CH2 3.43Å; D179-W204 VanDerWaalsContact CB-CH2 3.43Å; D179-W204 HydrophobicContact CB-CZ2 4.25Å; D179-W204 HydrophobicContact CB-CZ3 3.96Å; V183-W204 HydrophobicContact CG2-CH2 4.25Å; V183-W204 HydrophobicContact CG2-CZ3 3.94Å; I198-W204 HydrophobicContact CG2-CB 4.37Å; I198-W204 HydrophobicContact CG2-CD2 4.34Å; I198-W204 HydrophobicContact CG2-CE3 3.76Å; I198-W204 HydrophobicContact CG2-CZ3 4.35Å; R199-W204 WeakPolarHBondContact CG-O 3.06Å; L202-W204 HydrophobicContact CB-CD2 4.05Å; L202-W204 HydrophobicContact CB-CG 3.92Å; L202-W204 HydrophobicContact CD1-CD2 4.13Å; L202-W204 HydrophobicContact CD1-CE3 4.24Å; L202-W204 HydrophobicContact CD1-CH2 3.87Å; L202-W204 HydrophobicContact CD1-CZ2 3.81Å; L202-W204 HydrophobicContact CD1-CZ3 4.11Å; L202-W204 PolarHBondContact O-N 3.38Å; W204-R208 HydrophobicContact CD2-CG 4.2Å; W204-R208 VanDerWaalsContact CE2-CZ 3.44Å; W204-R208 HydrophobicContact CE3-CG 3.82Å; W204-R208 HydrophobicContact CZ3-CG 4.35Å; W204-V212 HydrophobicContact CZ3-CG2 4.09Å
205E97.5Very high96.7Very high145 Ų14571.4 Ų71.468%0.67833%0.332SS*.  trans-70.7152.8167-63.9-168.5161.100111.1E207 R208 A209E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 3.06Å; E205-R208 PolarHBondContact O-N 3.41Å; E205-A209 PolarHBondContact O-N 2.93Å
206R96.7Very high96.6Very high167 Ų16770.6 Ų70.663%0.6333%0.327SS*.Hα-helixtrans-58.2-43.4-177.1-176.9-179.1-177.8-179.52111.9V195 R208 A209 C210V195-R206 HydrophobicContact CG1-CG 3.95Å; R206-R208 PolarHBondContact O-N 3.2Å; R206-A209 PolarHBondContact O-N 2.97Å; R206-C210 PolarHBondContact O-N 3.35Å; R206-C210 PolarHBondContact O-SG 3.49Å; R206-C210 VanDerWaalsContact O-SG 3.34Å
207E97.2Very high96.5Very high142 Ų14271.3 Ų71.366%0.66433%0.327SS*.Hα-helixtrans-62.6-42.7-177-69.3162.3-166.900111.6E205 A209 C210 H211E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 3.06Å; E207-A209 PolarHBondContact O-N 3.42Å; E207-C210 PolarHBondContact O-N 3.34Å; E207-H211 WeakPolarHBondContact O-CB 3.48Å; E207-H211 PolarHBondContact O-CD2 3.19Å; E207-H211 PolarHBondContact O-N 3.48Å
208R97Very high96.5Very high107 Ų10777.7 Ų77.740%0.40436%0.355SS..Hα-helixtrans-61.5-44.4174.7-174.5180-179.6-175.51111.9D179 W204 E205 R206 H211 V212D179-R208 IonicContact OD1-CZ 3.08Å; D179-R208 IonicContact OD1-NE 3.3Å; D179-R208 IonicContact OD1-NH2 2.68Å; D179-R208 PolarHBondContact OD1-NH2 3.04Å; D179-R208 IonicContact OD2-CZ 3.65Å; D179-R208 VanDerWaalsContact OD2-CZ 3.3Å; D179-R208 IonicContact OD2-NE 3.3Å; D179-R208 PolarHBondContact OD2-NE 3.35Å; D179-R208 IonicContact OD2-NH2 3.57Å; D179-R208 PolarHBondContact OD2-NH2 3.35Å; W204-R208 HydrophobicContact CD2-CG 4.2Å; W204-R208 VanDerWaalsContact CE2-CZ 3.44Å; W204-R208 HydrophobicContact CE3-CG 3.82Å; W204-R208 HydrophobicContact CZ3-CG 4.35Å; E205-R208 PolarHBondContact O-N 3.41Å; R206-R208 PolarHBondContact O-N 3.2Å; R208-H211 PolarHBondContact O-N 2.89Å; R208-V212 WeakPolarHBondContact O-CG2 3.26Å; R208-V212 PolarHBondContact O-N 3.33Å
209A97.1Very high96.3Very high0 Ų081.5 Ų81.50%037%0.372CS..Hα-helixtrans-62.1-47.1176.700000111.5V195 I198 E205 R206 E207 H211 V212 L213V195-A209 HydrophobicContact CG1-CB 4.33Å; I198-A209 HydrophobicContact CB-CB 4.04Å; I198-A209 HydrophobicContact CD1-CB 4.23Å; I198-A209 HydrophobicContact CG2-CB 3.53Å; E205-A209 PolarHBondContact O-N 2.93Å; R206-A209 PolarHBondContact O-N 2.97Å; E207-A209 PolarHBondContact O-N 3.42Å; A209-H211 PolarHBondContact O-N 2.86Å; A209-V212 PolarHBondContact O-N 3.36Å; A209-L213 VanDerWaalsContact O-CG 3.29Å; A209-L213 WeakPolarHBondContact O-CG 3.5Å; A209-L213 PolarHBondContact O-N 3.29Å; A209-L213 VanDerWaalsContact O-N 3.08Å
210C96.6Very high96Very high29 Ų2977.3 Ų77.320%0.19637%0.366CS..Hα-helixtrans-61.1-43.2177.1-69.30000112R206 E207 V212 L213 D214R206-C210 PolarHBondContact O-N 3.35Å; R206-C210 PolarHBondContact O-SG 3.49Å; R206-C210 VanDerWaalsContact O-SG 3.34Å; E207-C210 PolarHBondContact O-N 3.34Å; C210-V212 VanDerWaalsContact C-N 3.33Å; C210-V212 PolarHBondContact O-N 3.5Å; C210-L213 PolarHBondContact O-N 2.98Å; C210-D214 WeakPolarHBondContact O-CB 3.35Å; C210-D214 PolarHBondContact O-N 3Å
211H96.9Very high95.9Very high135 Ų13571 Ų7163%0.62534%0.336SS*.Hα-helixtrans-58.2-42.8177.7-80.8-167.2000113E207 R208 A209 H215E207-H211 WeakPolarHBondContact O-CB 3.48Å; E207-H211 PolarHBondContact O-CD2 3.19Å; E207-H211 PolarHBondContact O-N 3.48Å; R208-H211 PolarHBondContact O-N 2.89Å; A209-H211 PolarHBondContact O-N 2.86Å; H211-H215 WeakPolarHBondContact O-CB 3.41Å; H211-H215 PolarHBondContact O-N 3.49Å
212V97Very high95.8Very high6 Ų668 Ų684%0.03632%0.316CS..Hα-helixtrans-66.2-45.4177.6173.10000110.7D179 V183 W204 R208 A209 C210 H215 L216D179-V212 HydrophobicContact CB-CG2 3.73Å; V183-V212 HydrophobicContact CB-CG1 4.02Å; V183-V212 HydrophobicContact CG1-CG1 4.32Å; V183-V212 HydrophobicContact CG2-CG1 3.75Å; W204-V212 HydrophobicContact CZ3-CG2 4.09Å; R208-V212 WeakPolarHBondContact O-CG2 3.26Å; R208-V212 PolarHBondContact O-N 3.33Å; A209-V212 PolarHBondContact O-N 3.36Å; C210-V212 VanDerWaalsContact C-N 3.33Å; C210-V212 PolarHBondContact O-N 3.5Å; V212-H215 WeakPolarHBondContact O-CB 3.38Å; V212-H215 PolarHBondContact O-N 2.9Å; V212-L216 HydrophobicContact CG1-CD1 4.41Å; V212-L216 WeakPolarHBondContact O-CG 3.2Å; V212-L216 PolarHBondContact O-N 3.08Å
213L97.1Very high95.8Very high0 Ų072.8 Ų72.80%033%0.331CS..Hα-helixtrans-64.5-42.1179.5-67.7171.2000112.1V183 V193 V195 I198 A209 C210 H215 L216 L217 Y234V183-L213 HydrophobicContact CG1-CD2 4.45Å; V193-L213 HydrophobicContact CG1-CD2 3.9Å; V195-L213 HydrophobicContact CG2-CD1 3.7Å; I198-L213 HydrophobicContact CD1-CD1 3.89Å; I198-L213 HydrophobicContact CD1-CD2 3.95Å; I198-L213 HydrophobicContact CD1-CG 3.92Å; A209-L213 VanDerWaalsContact O-CG 3.29Å; A209-L213 WeakPolarHBondContact O-CG 3.5Å; A209-L213 PolarHBondContact O-N 3.29Å; A209-L213 VanDerWaalsContact O-N 3.08Å; C210-L213 PolarHBondContact O-N 2.98Å; L213-H215 VanDerWaalsContact C-N 3.28Å; L213-H215 PolarHBondContact O-N 3.47Å; L213-L216 PolarHBondContact O-N 2.96Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.17Å; L213-Y234 HydrophobicContact CB-CD1 3.84Å; L213-Y234 HydrophobicContact CB-CE1 3.68Å; L213-Y234 HydrophobicContact CB-CG 4.32Å; L213-Y234 HydrophobicContact CD1-CD1 4.43Å; L213-Y234 HydrophobicContact CD1-CD2 3.77Å; L213-Y234 HydrophobicContact CD1-CE1 4.28Å; L213-Y234 HydrophobicContact CD1-CE2 3.65Å; L213-Y234 HydrophobicContact CD1-CG 4.18Å; L213-Y234 HydrophobicContact CD2-CD1 4.05Å; L213-Y234 HydrophobicContact CD2-CD2 4.08Å; L213-Y234 HydrophobicContact CD2-CG 3.73Å; L213-Y234 HydrophobicContact CG-CD1 4.32Å; L213-Y234 HydrophobicContact CG-CD2 4.38Å; L213-Y234 HydrophobicContact CG-CE1 4.41Å; L213-Y234 HydrophobicContact CG-CG 4.29Å
214D96.7Very high95.8Very high65 Ų6569.1 Ų69.135%0.34832%0.319SS..Hα-helixtrans-62.9-37.1175.6-71.6-17.2000111.5C210 L217 K218C210-D214 WeakPolarHBondContact O-CB 3.35Å; C210-D214 PolarHBondContact O-N 3Å; D214-L217 PolarHBondContact O-N 2.79Å; D214-K218 WeakPolarHBondContact O-CB 3.42Å; D214-K218 VanDerWaalsContact O-CG 3.22Å; D214-K218 WeakPolarHBondContact O-CG 3.49Å; D214-K218 PolarHBondContact O-N 3.29Å
215H95.8Very high95.7Very high51 Ų5169.7 Ų69.724%0.23633%0.325CS..Hα-helixtrans-65.5-45.5173.6-172-85.2000111.3H180 H211 V212 L213 L217 K218 E219H180-H215 AromaticContact CD2-ND1 3.65Å; H180-H215 AromaticContact CE1-ND1 3.77Å; H180-H215 WeakPolarHBondContact NE2-CB 3.49Å; H180-H215 AromaticContact NE2-CE1 3.86Å; H180-H215 AromaticContact NE2-CG 3.27Å; H180-H215 VanDerWaalsContact NE2-CG 3.27Å; H180-H215 AromaticContact NE2-ND1 3.1Å; H180-H215 PolarHBondContact NE2-ND1 3.2Å; H211-H215 WeakPolarHBondContact O-CB 3.41Å; H211-H215 PolarHBondContact O-N 3.49Å; V212-H215 WeakPolarHBondContact O-CB 3.38Å; V212-H215 PolarHBondContact O-N 2.9Å; L213-H215 VanDerWaalsContact C-N 3.28Å; L213-H215 PolarHBondContact O-N 3.47Å; H215-L217 VanDerWaalsContact C-N 3.29Å; H215-L217 PolarHBondContact O-N 3.05Å; H215-K218 PolarHBondContact O-N 3Å; H215-E219 WeakPolarHBondContact O-CG 3.34Å; H215-E219 PolarHBondContact O-N 3.49Å
216L95.1Very high95.6Very high0 Ų067.1 Ų67.10%032%0.323CS..Hα-helixtrans-60.7-37.1176.2-66.1178000112.6L176 V183 V212 L213 G220 L221 A222L176-L216 HydrophobicContact CD2-CD2 4.26Å; V183-L216 HydrophobicContact CG1-CD1 4.08Å; V212-L216 HydrophobicContact CG1-CD1 4.41Å; V212-L216 WeakPolarHBondContact O-CG 3.2Å; V212-L216 PolarHBondContact O-N 3.08Å; L213-L216 PolarHBondContact O-N 2.96Å; L216-G220 PolarHBondContact O-N 3.46Å; L216-L221 HydrophobicContact CB-CB 4.49Å; L216-L221 HydrophobicContact CD2-CB 4.19Å; L216-L221 HydrophobicContact CD2-CD1 3.9Å; L216-L221 PolarHBondContact O-N 2.9Å; L216-A222 HydrophobicContact CB-CB 3.9Å; L216-A222 PolarHBondContact O-N 2.82Å
217L95.3Very high95.4Very high54 Ų5467.7 Ų67.728%0.28333%0.333SS..Hα-helixtrans-65.7-45.8173.3-70.5179.9000111.9L213 D214 H215 E219 G220 A222 L224 Y234L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.17Å; D214-L217 PolarHBondContact O-N 2.79Å; H215-L217 VanDerWaalsContact C-N 3.29Å; H215-L217 PolarHBondContact O-N 3.05Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-E219 PolarHBondContact O-N 3.37Å; L217-G220 PolarHBondContact O-N 3.27Å; L217-A222 HydrophobicContact CD2-CB 4.11Å; L217-A222 VanDerWaalsContact CD2-O 3.28Å; L217-A222 WeakPolarHBondContact CD2-O 3.41Å; L217-L224 HydrophobicContact CD1-CB 4.49Å; L217-L224 HydrophobicContact CD2-CB 4.2Å; L217-Y234 HydrophobicContact CD1-CD1 4.04Å; L217-Y234 HydrophobicContact CD1-CE1 3.66Å; L217-Y234 HydrophobicContact CD2-CD1 4.13Å; L217-Y234 HydrophobicContact CG-CD1 4.05Å; L217-Y234 HydrophobicContact CG-CE1 4.15Å
218K94.1Very high95.1Very high166 Ų16661.9 Ų61.972%0.72231%0.309SS*.Hα-helixtrans-62.3-39.3179.9-75.7168.1-174171.40112.6D214 H215 G220D214-K218 WeakPolarHBondContact O-CB 3.42Å; D214-K218 VanDerWaalsContact O-CG 3.22Å; D214-K218 WeakPolarHBondContact O-CG 3.49Å; D214-K218 PolarHBondContact O-N 3.29Å; H215-K218 PolarHBondContact O-N 3Å; K218-G220 PolarHBondContact O-N 3.49Å
219E91.9Very high94.6Very high79 Ų7962.4 Ų62.437%0.36933%0.329SS..THydrogen-bonded Turntrans-76.6-3.4176.2-64.4-57.9133.600112.9H215 L217 L221H215-E219 WeakPolarHBondContact O-CG 3.34Å; H215-E219 PolarHBondContact O-N 3.49Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-E219 PolarHBondContact O-N 3.37Å; E219-L221 HydrophobicContact CB-CD1 3.99Å; E219-L221 HydrophobicContact CB-CG 3.85Å; E219-L221 PolarHBondContact O-N 3.24Å
220G91.9Very high94.2Very high31 Ų3166.6 Ų66.632%0.3237%0.372SS..THydrogen-bonded Turntrans69.818.1-178.600000114G116 L216 L217 K218G116-G220 WeakPolarHBondContact CA-O 3.46Å; L216-G220 PolarHBondContact O-N 3.46Å; L217-G220 PolarHBondContact O-N 3.27Å; K218-G220 PolarHBondContact O-N 3.49Å
221L93.6Very high94.1Very high3 Ų367.8 Ų67.82%0.01638%0.375CS..SBendtrans-85.4-17.7179.7-59.9179.8000112.7G116 L118 L176 L216 E219 P237G116-L221 WeakPolarHBondContact O-CD2 3.31Å; L118-L221 HydrophobicContact CB-CD2 4.4Å; L118-L221 HydrophobicContact CD1-CB 4.44Å; L118-L221 HydrophobicContact CD1-CD1 3.97Å; L118-L221 HydrophobicContact CD1-CD2 3.8Å; L118-L221 HydrophobicContact CD1-CG 4.29Å; L118-L221 HydrophobicContact CG-CD2 3.73Å; L176-L221 HydrophobicContact CD1-CD1 4.22Å; L176-L221 HydrophobicContact CD2-CD1 3.87Å; L216-L221 HydrophobicContact CB-CB 4.49Å; L216-L221 HydrophobicContact CD2-CB 4.19Å; L216-L221 HydrophobicContact CD2-CD1 3.9Å; L216-L221 PolarHBondContact O-N 2.9Å; E219-L221 HydrophobicContact CB-CD1 3.99Å; E219-L221 HydrophobicContact CB-CG 3.85Å; E219-L221 PolarHBondContact O-N 3.24Å; L221-P237 WeakPolarHBondContact O-CD 3.39Å
222A95Very high94Very high4 Ų464.3 Ų64.33%0.03336%0.364CS..  trans-133.5153.7177.800000112L216 L217 W235 L236L216-A222 HydrophobicContact CB-CB 3.9Å; L216-A222 PolarHBondContact O-N 2.82Å; L217-A222 HydrophobicContact CD2-CB 4.11Å; L217-A222 VanDerWaalsContact CD2-O 3.28Å; L217-A222 WeakPolarHBondContact CD2-O 3.41Å; A222-W235 CarbonylContact C-O 3.38Å; A222-W235 WeakPolarHBondContact CA-O 3.4Å; A222-L236 HydrophobicContact CB-CG 4.46Å
223W95Very high94Very high142 Ų14265.5 Ų65.554%0.53837%0.369SS..EExtended strand (participates in β ladder)trans-115.1141.8171-63.5-6000109.8Y234 W235 P237W223-Y234 CarbonylContact O-C 3.59Å; W223-Y234 WeakPolarHBondContact O-CA 3.48Å; W223-W235 PolarHBondContact N-O 3.08Å; W223-W235 PolarHBondContact O-N 2.84Å; W223-P237 HydrophobicContact CD2-CG 3.98Å; W223-P237 HydrophobicContact CG-CG 4.25Å; W223-P237 HydrophobicContact CZ2-CG 4.13Å
224L96.5Very high94Very high91 Ų9166.6 Ų66.648%0.47637%0.374SS..EExtended strand (participates in β ladder)trans-91.4119177.4-179.564.1000110.5L217 P232 Y234L217-L224 HydrophobicContact CD1-CB 4.49Å; L217-L224 HydrophobicContact CD2-CB 4.2Å; L224-P232 HydrophobicContact CD1-CB 3.8Å; L224-Y234 HydrophobicContact CD1-CD1 4.14Å; L224-Y234 HydrophobicContact CD1-CD2 4.37Å; L224-Y234 HydrophobicContact CD1-CE1 3.84Å; L224-Y234 HydrophobicContact CD1-CE2 4.03Å; L224-Y234 HydrophobicContact CD1-CG 4.41Å
225D96Very high93.9Very high47 Ų4766.9 Ų66.925%0.25137%0.37SS..EExtended strand (participates in β ladder)trans-99.7106.9165.6178.511000109.6Q227 A228 P232 Q233D225-Q227 WeakPolarHBondContact OD1-CA 3.46Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.22Å; D225-Q227 PolarHBondContact OD1-N 2.8Å; D225-A228 PolarHBondContact OD1-N 2.78Å; D225-P232 CarbonylContact O-C 3.43Å; D225-P232 VanDerWaalsContact O-CA 3.32Å; D225-P232 WeakPolarHBondContact O-CA 3.37Å; D225-Q233 HydrophobicContact CB-CB 4.38Å; D225-Q233 PolarHBondContact N-O 2.96Å; D225-Q233 PolarHBondContact O-N 3.45Å
226S94.3Very high93.8Very high91 Ų9164.5 Ų64.564%0.63636%0.359SS*.SBendtrans-90.9-2.6176.8540000113.5
227Q93.7Very high93.6Very high179 Ų17965 Ų6584%0.83636%0.362SS*.SBendtrans-99.3-8.7-177-58.3176.937.700112.2D225D225-Q227 WeakPolarHBondContact OD1-CA 3.46Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.22Å; D225-Q227 PolarHBondContact OD1-N 2.8Å
228A90.3Very high93.4Very high19 Ų1962.6 Ų62.616%0.15735%0.35CS..SBendtrans-54.2141.5173.300000112.3D225 G230 Q233D225-A228 PolarHBondContact OD1-N 2.78Å; A228-G230 PolarHBondContact O-N 3.13Å; A228-Q233 HydrophobicContact CB-CB 4.12Å; A228-Q233 VanDerWaalsContact CB-CD 3.43Å; A228-Q233 HydrophobicContact CB-CG 3.58Å
229S86.5Confident93.1Very high118 Ų11855.6 Ų55.683%0.82532%0.32SS*.SBendtrans-69.2121.6178.959.20000110.9
230G88.9Confident92.6Very high88 Ų8855.2 Ų55.291%0.90732%0.318SS*.SBendtrans105.4-67.8173.500000113.1A228A228-G230 PolarHBondContact O-N 3.13Å
231E93.9Very high91Very high55 Ų5558.5 Ų58.526%0.25734%0.335SS..SBendtrans-143.2158.1177.871.3-179.2148.700111.9S194 S196 Q233S194-E231 WeakPolarHBondContact CB-OE1 3.32Å; S194-E231 VanDerWaalsContact OG-CD 3.29Å; S194-E231 PolarHBondContact OG-OE1 3.47Å; S196-E231 WeakPolarHBondContact CB-OE1 3.38Å; S196-E231 WeakPolarHBondContact CB-OE2 3.44Å; S196-E231 PolarHBondContact N-OE2 3.08Å; S196-E231 VanDerWaalsContact N-OE2 3.11Å; S196-E231 VanDerWaalsContact OG-CD 3.28Å; S196-E231 PolarHBondContact OG-OE1 3.43Å; S196-E231 PolarHBondContact OG-OE2 2.9Å; E231-Q233 PolarHBondContact O-N 3.31Å
232P95.6Very high89.1Confident62 Ų6266 Ų6640%0.40337%0.371SS..  trans-58.5135.7176.2-22.532.9000112.3L224 D225L224-P232 HydrophobicContact CD1-CB 3.8Å; D225-P232 CarbonylContact O-C 3.43Å; D225-P232 VanDerWaalsContact O-CA 3.32Å; D225-P232 WeakPolarHBondContact O-CA 3.37Å
233Q96.3Very high86.9Confident30 Ų3069.3 Ų69.314%0.1439%0.387CS..EExtended strand (participates in β ladder)trans-107.2141.9179.1-68.4178.1-5.900110.5Y192 D225 A228 E231Y192-Q233 HydrophobicContact CD2-CB 3.91Å; Y192-Q233 HydrophobicContact CD2-CG 3.76Å; Y192-Q233 HydrophobicContact CE2-CB 4.48Å; Y192-Q233 VanDerWaalsContact CE2-CD 3.41Å; Y192-Q233 HydrophobicContact CE2-CG 3.83Å; Y192-Q233 HydrophobicContact CG-CB 4.41Å; D225-Q233 HydrophobicContact CB-CB 4.38Å; D225-Q233 PolarHBondContact N-O 2.96Å; D225-Q233 PolarHBondContact O-N 3.45Å; A228-Q233 HydrophobicContact CB-CB 4.12Å; A228-Q233 VanDerWaalsContact CB-CD 3.43Å; A228-Q233 HydrophobicContact CB-CG 3.58Å; E231-Q233 PolarHBondContact O-N 3.31Å
234Y96.9Very high84.6Confident24 Ų2467.8 Ų67.89%0.09439%0.394CS..EExtended strand (participates in β ladder)trans-110.7103.3178.9-62.8-106.5000107.7Y192 V193 V195 L213 L217 W223 L224Y192-Y234 CarbonylContact C-O 3.57Å; Y192-Y234 WeakPolarHBondContact CA-O 3.41Å; Y192-Y234 WeakPolarHBondContact CB-O 3.28Å; V193-Y234 PolarHBondContact N-O 3.19Å; V193-Y234 WeakPolarHBondContact O-CB 3.17Å; V193-Y234 PolarHBondContact O-N 3.35Å; V195-Y234 HydrophobicContact CG2-CE2 4.23Å; L213-Y234 HydrophobicContact CB-CD1 3.84Å; L213-Y234 HydrophobicContact CB-CE1 3.68Å; L213-Y234 HydrophobicContact CB-CG 4.32Å; L213-Y234 HydrophobicContact CD1-CD1 4.43Å; L213-Y234 HydrophobicContact CD1-CD2 3.77Å; L213-Y234 HydrophobicContact CD1-CE1 4.28Å; L213-Y234 HydrophobicContact CD1-CE2 3.65Å; L213-Y234 HydrophobicContact CD1-CG 4.18Å; L213-Y234 HydrophobicContact CD2-CD1 4.05Å; L213-Y234 HydrophobicContact CD2-CD2 4.08Å; L213-Y234 HydrophobicContact CD2-CG 3.73Å; L213-Y234 HydrophobicContact CG-CD1 4.32Å; L213-Y234 HydrophobicContact CG-CD2 4.38Å; L213-Y234 HydrophobicContact CG-CE1 4.41Å; L213-Y234 HydrophobicContact CG-CG 4.29Å; L217-Y234 HydrophobicContact CD1-CD1 4.04Å; L217-Y234 HydrophobicContact CD1-CE1 3.66Å; L217-Y234 HydrophobicContact CD2-CD1 4.13Å; L217-Y234 HydrophobicContact CG-CD1 4.05Å; L217-Y234 HydrophobicContact CG-CE1 4.15Å; W223-Y234 CarbonylContact O-C 3.59Å; W223-Y234 WeakPolarHBondContact O-CA 3.48Å; L224-Y234 HydrophobicContact CD1-CD1 4.14Å; L224-Y234 HydrophobicContact CD1-CD2 4.37Å; L224-Y234 HydrophobicContact CD1-CE1 3.84Å; L224-Y234 HydrophobicContact CD1-CE2 4.03Å; L224-Y234 HydrophobicContact CD1-CG 4.41Å
235W95.2Very high82.1Confident70 Ų7065.7 Ų65.727%0.26539%0.386SS..EExtended strand (participates in β ladder)trans-89.2133.7-174.8-7284.7000110.8Y192 A222 W223 P237 F240Y192-W235 HydrophobicContact CD1-CD2 4.12Å; Y192-W235 AromaticContact CD1-CE2 3.87Å; Y192-W235 AromaticContact CD1-CE3 3.97Å; Y192-W235 HydrophobicContact CD1-CE3 3.97Å; Y192-W235 AromaticContact CD1-CH2 3.36Å; Y192-W235 HydrophobicContact CD1-CH2 3.36Å; Y192-W235 AromaticContact CD1-CZ2 3.5Å; Y192-W235 HydrophobicContact CD1-CZ2 3.5Å; Y192-W235 AromaticContact CD1-CZ3 3.6Å; Y192-W235 HydrophobicContact CD1-CZ3 3.6Å; Y192-W235 AromaticContact CE1-CH2 3.78Å; Y192-W235 HydrophobicContact CE1-CH2 3.78Å; Y192-W235 AromaticContact CE1-CZ2 3.93Å; Y192-W235 HydrophobicContact CE1-CZ2 3.93Å; Y192-W235 HydrophobicContact CE1-CZ3 4.39Å; Y192-W235 HydrophobicContact CG-CD2 4.15Å; Y192-W235 AromaticContact CG-CE2 3.99Å; Y192-W235 HydrophobicContact CG-CE3 4.34Å; Y192-W235 HydrophobicContact CG-CH2 4.28Å; Y192-W235 HydrophobicContact CG-CZ2 4.07Å; Y192-W235 HydrophobicContact CG-CZ3 4.41Å; A222-W235 CarbonylContact C-O 3.38Å; A222-W235 WeakPolarHBondContact CA-O 3.4Å; W223-W235 PolarHBondContact N-O 3.08Å; W223-W235 PolarHBondContact O-N 2.84Å; W235-P237 WeakPolarHBondContact O-CD 3.35Å; W235-F240 HydrophobicContact CE3-CD2 4.33Å; W235-F240 HydrophobicContact CZ3-CD2 4.1Å; W235-F240 HydrophobicContact CZ3-CE2 4.11Å
236L93.6Very high79.7Confident2 Ų274.1 Ų74.11%0.0142%0.415CS..  trans-105.2105.5177.9-68.893.9000109.3L184 A187 G191 V193 A222 A238 L239L184-L236 HydrophobicContact CD2-CD2 3.13Å; A187-L236 HydrophobicContact CB-CD1 3.6Å; G191-L236 PolarHBondContact O-N 3.37Å; V193-L236 HydrophobicContact CG1-CD1 3.92Å; A222-L236 HydrophobicContact CB-CG 4.46Å; L236-A238 PolarHBondContact O-N 3.04Å; L236-A238 VanDerWaalsContact O-N 3.1Å; L236-L239 HydrophobicContact CB-CB 4.45Å; L236-L239 HydrophobicContact CB-CD1 4.05Å; L236-L239 HydrophobicContact CB-CG 4.26Å; L236-L239 HydrophobicContact CD2-CD1 4.34Å; L236-L239 PolarHBondContact O-N 2.89Å
237P92.1Very high77.7Confident11 Ų1173.7 Ų73.77%0.07141%0.405CS..G310 helixtrans-60-29.5-175.3-21.531.7000112.8R114 N115 L221 W223 W235 L239 F240 L243R114-P237 WeakPolarHBondContact O-CB 3.46Å; N115-P237 HydrophobicContact CB-CB 4.38Å; L221-P237 WeakPolarHBondContact O-CD 3.39Å; W223-P237 HydrophobicContact CD2-CG 3.98Å; W223-P237 HydrophobicContact CG-CG 4.25Å; W223-P237 HydrophobicContact CZ2-CG 4.13Å; W235-P237 WeakPolarHBondContact O-CD 3.35Å; P237-L239 PolarHBondContact O-N 2.91Å; P237-F240 PolarHBondContact O-N 3.3Å; P237-F240 VanDerWaalsContact O-N 3.1Å; P237-L243 HydrophobicContact CB-CD1 4.44Å
238A90.6Very high75.7Confident2 Ų268.1 Ų68.12%0.01738%0.383CS..G310 helixtrans-59.5-25.8176.400000114.4N115 L118 T120 L168 L236N115-A238 HydrophobicContact CB-CB 4.42Å; L118-A238 HydrophobicContact CB-CB 3.54Å; L118-A238 WeakPolarHBondContact O-CB 3.46Å; T120-A238 WeakPolarHBondContact CG2-O 3.44Å; L168-A238 HydrophobicContact CD2-CB 4.43Å; L236-A238 PolarHBondContact O-N 3.04Å; L236-A238 VanDerWaalsContact O-N 3.1Å
239L88.3Confident74Confident19 Ų1969.8 Ų69.810%0.09939%0.392CS..G310 helixtrans-98.8-3.2-179.2-63175.8000112.2T120 L168 A187 L236 P237T120-L239 HydrophobicContact CG2-CD2 4.19Å; L168-L239 HydrophobicContact CD1-CD2 4.25Å; L168-L239 HydrophobicContact CD2-CD2 3.86Å; L168-L239 HydrophobicContact CG-CD2 4.38Å; A187-L239 HydrophobicContact CB-CD1 3.77Å; L236-L239 HydrophobicContact CB-CB 4.45Å; L236-L239 HydrophobicContact CB-CD1 4.05Å; L236-L239 HydrophobicContact CB-CG 4.26Å; L236-L239 HydrophobicContact CD2-CD1 4.34Å; L236-L239 PolarHBondContact O-N 2.89Å; P237-L239 PolarHBondContact O-N 2.91Å
240F79.8Confident72.3Confident72 Ų7269.2 Ų69.232%0.31639%0.385SS..  trans-97.197.2-176.2-165.7-90.9000110.5W235 P237 E242 L243W235-F240 HydrophobicContact CE3-CD2 4.33Å; W235-F240 HydrophobicContact CZ3-CD2 4.1Å; W235-F240 HydrophobicContact CZ3-CE2 4.11Å; P237-F240 PolarHBondContact O-N 3.3Å; P237-F240 VanDerWaalsContact O-N 3.1Å; F240-E242 VanDerWaalsContact C-N 3.26Å; F240-E242 HydrophobicContact CD1-CB 4.22Å; F240-E242 HydrophobicContact CE1-CB 3.59Å; F240-E242 HydrophobicContact CZ-CB 4.02Å; F240-E242 PolarHBondContact O-N 3.28Å; F240-L243 HydrophobicContact CD1-CB 4.18Å; F240-L243 HydrophobicContact CD1-CD1 3.9Å; F240-L243 HydrophobicContact CD1-CG 3.56Å; F240-L243 HydrophobicContact CE1-CG 3.95Å
241S59.7Low70.5Confident99 Ų9971.9 Ų71.969%0.69237%0.374SS*.THydrogen-bonded Turntrans-68.9-20.4-174.2-36.20000114.1L243S241-L243 VanDerWaalsContact C-N 3.34Å; S241-L243 PolarHBondContact O-N 2.93Å
242E53.3Low68.3Low162 Ų16273.4 Ų73.476%0.75738%0.381SS*.THydrogen-bonded Turntrans-85.4-0.2-173.4-63.5-167.4171.100114.4F240 T244F240-E242 VanDerWaalsContact C-N 3.26Å; F240-E242 HydrophobicContact CD1-CB 4.22Å; F240-E242 HydrophobicContact CE1-CB 3.59Å; F240-E242 HydrophobicContact CZ-CB 4.02Å; F240-E242 PolarHBondContact O-N 3.28Å; E242-T244 PolarHBondContact O-N 2.84Å
243L49Very low66.3Low73 Ų7372.8 Ų72.838%0.38238%0.381SS..  trans-77.940.6169-76.5166.9000112.1P237 F240 S241 S245P237-L243 HydrophobicContact CB-CD1 4.44Å; F240-L243 HydrophobicContact CD1-CB 4.18Å; F240-L243 HydrophobicContact CD1-CD1 3.9Å; F240-L243 HydrophobicContact CD1-CG 3.56Å; F240-L243 HydrophobicContact CE1-CG 3.95Å; S241-L243 VanDerWaalsContact C-N 3.34Å; S241-L243 PolarHBondContact O-N 2.93Å; L243-S245 PolarHBondContact O-N 3.24Å
244T45.7Very low64.2Low110 Ų11077.8 Ų77.868%0.67541%0.409SS*.  trans-69.363.9155.949.90000109E242E242-T244 PolarHBondContact O-N 2.84Å
245S45.1Very low61.9Low46 Ų4684.3 Ų84.332%0.32244%0.44SS..  trans-64.1142.3159.2101.60000106.8R114 L243 D247R114-S245 VanDerWaalsContact CZ-OG 3.28Å; R114-S245 PolarHBondContact NH1-OG 2.83Å; R114-S245 PolarHBondContact NH2-OG 2.93Å; L243-S245 PolarHBondContact O-N 3.24Å; S245-D247 PolarHBondContact O-N 2.81Å
246R45.6Very low59.7Low224 Ų22486.8 Ų86.885%0.84546%0.457SS*.  trans-46.7132.1159.1-82178.1167173.8-4.6107.7V248R246-V248 PolarHBondContact O-N 3.02Å
247D52Low57.2Low82 Ų8291.6 Ų91.644%0.43949%0.487SS..  trans-57.3107.2169.4-59.9-54.7000105.1R127 K130 S245 T249R127-D247 IonicContact NH1-OD1 2.76Å; R127-D247 PolarHBondContact NH1-OD1 3.25Å; K130-D247 IonicContact NZ-OD2 2.83Å; K130-D247 PolarHBondContact NZ-OD2 2.74Å; S245-D247 PolarHBondContact O-N 2.81Å; D247-T249 PolarHBondContact O-N 3.18Å
248V52.1Low55.1Low62 Ų62100.5 Ų100.538%0.37655%0.545SS..  trans-67.1116.7177.1177.20000104.9R246 E252 A253 I256R246-V248 PolarHBondContact O-N 3.02Å; V248-E252 WeakPolarHBondContact CA-OE2 3.38Å; V248-E252 HydrophobicContact CG1-CB 3.47Å; V248-E252 VanDerWaalsContact CG1-CB 3.47Å; V248-A253 HydrophobicContact CG1-CB 4.18Å; V248-I256 HydrophobicContact CG1-CD1 3.92Å
249T53.1Low53.3Low54 Ų54105.4 Ų105.433%0.33157%0.571SS.*  trans-63.7154.8179.462.90000109.1D247 E251 E252 A253D247-T249 PolarHBondContact O-N 3.18Å; T249-E251 PolarHBondContact O-N 3.33Å; T249-E252 PolarHBondContact N-OE2 3.1Å; T249-E252 VanDerWaalsContact N-OE2 3.1Å; T249-E252 PolarHBondContact O-N 3.39Å; T249-E252 WeakPolarHBondContact OG1-CG 3.34Å; T249-E252 PolarHBondContact OG1-N 3.47Å; T249-A253 PolarHBondContact O-N 3.01Å
250P51.3Low51.5Low106 Ų106109.9 Ų109.969%0.68860%0.596SS**Hα-helixtrans-52.7-26.6174.6-2634.3000113.2N254P250-N254 PolarHBondContact O-N 2.94Å
251E51.1Low49.9Very low145 Ų145112.1 Ų112.168%0.67861%0.612SS**Hα-helixtrans-73.5-38.1176.9-64.8154.1169.400112.5T249T249-E251 PolarHBondContact O-N 3.33Å
252E48.9Very low49.4Very low87 Ų87112.8 Ų112.841%0.40761%0.607SS.*Hα-helixtrans-74.4-34.4175.7-70.6171.7160.800111.5V248 T249 N254 Q255 I256V248-E252 WeakPolarHBondContact CA-OE2 3.38Å; V248-E252 HydrophobicContact CG1-CB 3.47Å; V248-E252 VanDerWaalsContact CG1-CB 3.47Å; T249-E252 PolarHBondContact N-OE2 3.1Å; T249-E252 VanDerWaalsContact N-OE2 3.1Å; T249-E252 PolarHBondContact O-N 3.39Å; T249-E252 WeakPolarHBondContact OG1-CG 3.34Å; T249-E252 PolarHBondContact OG1-N 3.47Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 2.99Å; E252-Q255 PolarHBondContact O-N 3.34Å; E252-I256 WeakPolarHBondContact O-CD1 3.37Å; E252-I256 VanDerWaalsContact O-CG1 3.28Å; E252-I256 WeakPolarHBondContact O-CG1 3.28Å; E252-I256 PolarHBondContact O-N 3.5Å
253A52.9Low49.1Very low49 Ų49109.8 Ų109.841%0.40560%0.597SS.*Hα-helixtrans-61.4-35.4176.500000112.5V248 T249 Q255 I256V248-A253 HydrophobicContact CG1-CB 4.18Å; T249-A253 PolarHBondContact O-N 3.01Å; A253-Q255 VanDerWaalsContact C-N 3.25Å; A253-Q255 PolarHBondContact O-N 3.04Å; A253-I256 PolarHBondContact O-N 3.38Å
254N51.2Low49.1Very low134 Ų134112.2 Ų112.272%0.71761%0.612SS**Hα-helixtrans-73.1-12.8175.9-77.5-20.6000114P250 E252P250-N254 PolarHBondContact O-N 2.94Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 2.99Å
255Q50Low49.4Very low162 Ų162112.4 Ų112.476%0.75761%0.607SS**Hα-helixtrans-98.2-10.8177.9-66.3179.520.200113.1E252 A253E252-Q255 PolarHBondContact O-N 3.34Å; A253-Q255 VanDerWaalsContact C-N 3.25Å; A253-Q255 PolarHBondContact O-N 3.04Å
256I48.8Very low49.7Very low121 Ų121117.5 Ų117.562%0.62163%0.629SS**Hα-helixtrans-95.7-13.5-174-65.3163000112.2V248 E252 A253V248-I256 HydrophobicContact CG1-CD1 3.92Å; E252-I256 WeakPolarHBondContact O-CD1 3.37Å; E252-I256 VanDerWaalsContact O-CG1 3.28Å; E252-I256 WeakPolarHBondContact O-CG1 3.28Å; E252-I256 PolarHBondContact O-N 3.5Å; A253-I256 PolarHBondContact O-N 3.38Å
257T40.9Very low50Low104 Ų104108.6 Ų108.664%0.63861%0.611SS**  trans-80.6125.3168.530.10000111
258P48.2Very low49.9Very low197 Ų197111 Ų111100%1.27963%0.627SS**  trans-67.30170.629-32.9000112.6

Retrieved 258 of 258 residues in 1928.8 ms (Link to these results)