A0A3Q0KS67_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KS67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 389 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
1M30.9Very low53.3Low248 Ų248107.5 Ų107.5100%1.22256%0.555SS**  035.20-80-176.4176.700110.7
2E31.6Very low54.8Low193 Ų193110.7 Ų110.790%0.90257%0.574SS**  trans-140.996.5178-75.5176.7153.400107.3
3S45Very low56.9Low87 Ų87109.2 Ų109.261%0.60857%0.568SS**  trans-176.3-2.1163.7550000114N5S3-N5 PolarHBondContact O-N 2.8Å
4D48.6Very low59.1Low103 Ų103106.5 Ų106.555%0.55156%0.558SS**THydrogen-bonded Turntrans-78.7-9.6-168.9-90.4-39.7000117.1N6 R45D4-N6 PolarHBondContact O-N 3.36Å; D4-R45 PolarHBondContact O-NH2 3.01Å; D4-R45 IonicContact OD1-CZ 3.77Å; D4-R45 IonicContact OD1-NH1 3.75Å; D4-R45 IonicContact OD1-NH2 2.84Å; D4-R45 PolarHBondContact OD1-NH2 3.06Å
5N50.6Low61.2Low149 Ų149100.1 Ų100.180%0.79753%0.525SS*.THydrogen-bonded Turntrans-91.88.7-173.5-83-14.5000115.8S3S3-N5 PolarHBondContact O-N 2.8Å
6N57Low63.1Low65 Ų6599.4 Ų99.435%0.34852%0.522SS..  trans-106-20.9-158.2-81.418.6000113.4D4 E223D4-N6 PolarHBondContact O-N 3.36Å; N6-E223 WeakPolarHBondContact CA-OE1 3.44Å; N6-E223 VanDerWaalsContact CB-CD 3.4Å; N6-E223 WeakPolarHBondContact CB-OE1 3.46Å; N6-E223 VanDerWaalsContact CB-OE2 3.26Å; N6-E223 WeakPolarHBondContact CB-OE2 3.46Å; N6-E223 PolarHBondContact ND2-OE1 3.12Å; N6-E223 PolarHBondContact OD1-OE1 3.25Å
7I59.4Low64.9Low33 Ų3395.1 Ų95.117%0.16950%0.502CS..EExtended strand (participates in β ladder)trans-95.1118.2-179.2-62.3168.6000110.3S9 A41 I217 L219I7-S9 PolarHBondContact O-N 3.45Å; I7-A41 HydrophobicContact CD1-CB 4.18Å; I7-I217 HydrophobicContact CG2-CG2 3.52Å; I7-L219 HydrophobicContact CD1-CD2 4.46Å; I7-L219 HydrophobicContact CG1-CD2 3.73Å
8N60.6Low66.6Low110 Ų11089.8 Ų89.859%0.58847%0.474SS*.EExtended strand (participates in β ladder)trans-83.294.3172.7-163-3000108.9L218N8-L218 PolarHBondContact N-O 2.99Å; N8-L218 PolarHBondContact O-N 2.92Å; N8-L218 VanDerWaalsContact O-N 3.15Å
9S63Low68Low18 Ų1890.2 Ų90.213%0.12648%0.476CS..EExtended strand (participates in β ladder)trans-111.6131.6178.1-179.60000110.3I7 Y11 R216I7-S9 PolarHBondContact O-N 3.45Å; S9-Y11 WeakPolarHBondContact CB-O 3.36Å; S9-Y11 PolarHBondContact O-N 3.09Å; S9-Y11 WeakPolarHBondContact OG-CA 3.32Å; S9-Y11 PolarHBondContact OG-N 3.48Å; S9-Y11 PolarHBondContact OG-O 2.91Å; S9-R216 VanDerWaalsContact CA-O 3.31Å; S9-R216 WeakPolarHBondContact CA-O 3.27Å
10H69.3Low69.3Low149 Ų14994.3 Ų94.369%0.6949%0.485SS*.SBendtrans-75.4-1.8166.1-70-64.3000112.6R216H10-R216 PolarHBondContact N-O 3.36Å
11Y69.9Low70.6Confident27 Ų2790 Ų9011%0.10646%0.463CS..  trans-114.3110.7177.5-168-98000109.3S9 N13 I48 P49 E52 V215S9-Y11 WeakPolarHBondContact CB-O 3.36Å; S9-Y11 PolarHBondContact O-N 3.09Å; S9-Y11 WeakPolarHBondContact OG-CA 3.32Å; S9-Y11 PolarHBondContact OG-N 3.48Å; S9-Y11 PolarHBondContact OG-O 2.91Å; Y11-N13 HydrophobicContact CD1-CB 4.13Å; Y11-N13 HydrophobicContact CE1-CB 3.56Å; Y11-N13 PolarHBondContact OH-ND2 3.48Å; Y11-I48 HydrophobicContact CE1-CB 4.48Å; Y11-I48 HydrophobicContact CE1-CG2 4.34Å; Y11-I48 VanDerWaalsContact OH-CG2 3.27Å; Y11-I48 WeakPolarHBondContact OH-CG2 3.48Å; Y11-P49 HydrophobicContact CD1-CB 4.32Å; Y11-P49 HydrophobicContact CD1-CG 4.07Å; Y11-P49 HydrophobicContact CD2-CB 4.4Å; Y11-P49 HydrophobicContact CE1-CB 4.16Å; Y11-P49 HydrophobicContact CE1-CG 4.07Å; Y11-P49 HydrophobicContact CE2-CB 4.25Å; Y11-P49 HydrophobicContact CG-CB 4.44Å; Y11-E52 PolarHBondContact OH-OE1 3.16Å; Y11-E52 PolarHBondContact OH-OE2 3Å; Y11-V215 HydrophobicContact CD2-CG2 4.2Å; Y11-V215 HydrophobicContact CG-CG1 4.14Å
12N72.2Confident73.6Confident146 Ų14685 Ų8578%0.78144%0.441SS*.  trans-84.8-8.3-169.7-67.6-16.3000114V14N12-V14 PolarHBondContact O-N 3.22Å
13N81.7Confident76.7Confident92 Ų9276.6 Ų76.649%0.49240%0.402SS..  trans-79122.6-178.6-61.2-19.2000109.7Y11Y11-N13 HydrophobicContact CD1-CB 4.13Å; Y11-N13 HydrophobicContact CE1-CB 3.56Å; Y11-N13 PolarHBondContact OH-ND2 3.48Å
14V87.7Confident79.2Confident71 Ų7175.9 Ų75.943%0.4339%0.388SS..  trans-118.2129.5174.3-175.60000107.3N12 Q44 R45N12-V14 PolarHBondContact O-N 3.22Å; V14-Q44 HydrophobicContact CG1-CB 3.86Å; V14-R45 HydrophobicContact CG2-CG 4.07Å
15C90.8Very high81.5Confident10 Ų1079 Ų797%0.06840%0.399CS..  trans-119115.8179.3-173.30000111.1S17 R20 M21 Q44 I48C15-S17 PolarHBondContact O-N 3.34Å; C15-S17 PolarHBondContact SG-O 3.09Å; C15-R20 VanDerWaalsContact SG-CB 3.51Å; C15-M21 HydrophobicContact CB-CE 4.03Å; C15-M21 HydrophobicContact CB-CG 4.11Å; C15-M21 WeakPolarHBondContact O-CE 3.4Å; C15-M21 VanDerWaalsContact SG-CG 3.53Å; C15-Q44 PolarHBondContact N-O 3.49Å; C15-Q44 WeakPolarHBondContact O-CA 3.42Å; C15-Q44 WeakPolarHBondContact O-CB 3.43Å; C15-Q44 VanDerWaalsContact O-CG 3.26Å; C15-Q44 WeakPolarHBondContact O-CG 3.26Å; C15-I48 HydrophobicContact CB-CD1 3.42Å; C15-I48 VanDerWaalsContact CB-CD1 3.42Å; C15-I48 HydrophobicContact CB-CG1 4.33Å
16D91.8Very high83.7Confident90 Ų9075.7 Ų75.748%0.48138%0.382SS..SBendtrans-82.1-8.9-169.262.9-13.2000115R20 P39D16-R20 VanDerWaalsContact CG-NH1 3.31Å; D16-R20 IonicContact OD1-CZ 3.73Å; D16-R20 IonicContact OD1-NH1 2.8Å; D16-R20 PolarHBondContact OD1-NH1 3.48Å; D16-R20 IonicContact OD2-NH1 3.01Å; D16-R20 PolarHBondContact OD2-NH1 3.14Å; D16-P39 WeakPolarHBondContact O-CD 3.43Å; D16-P39 WeakPolarHBondContact O-CG 3.32Å
17S93.8Very high85.7Confident25 Ų2572.6 Ų72.618%0.17537%0.365CS..  trans-141.2143.8-178.7153.50000110.6C15 D19 R20C15-S17 PolarHBondContact O-N 3.34Å; C15-S17 PolarHBondContact SG-O 3.09Å; S17-D19 VanDerWaalsContact C-N 3.29Å; S17-D19 PolarHBondContact O-N 3.32Å; S17-D19 WeakPolarHBondContact OG-CB 3.05Å; S17-D19 PolarHBondContact OG-N 2.84Å; S17-D19 VanDerWaalsContact OG-N 3.09Å; S17-D19 PolarHBondContact OG-OD2 3.36Å; S17-R20 PolarHBondContact O-N 2.7Å
18F95.8Very high87.5Confident1 Ų172.5 Ų72.50%0.00437%0.365CS..SBendtrans-63.7-34.4173.7-69-68.2000112.2R20 M21 L28 I31 F36 P39 I47 I72F18-R20 PolarHBondContact O-N 3.5Å; F18-M21 HydrophobicContact CD1-CE 4.37Å; F18-M21 HydrophobicContact CD1-SD 3.95Å; F18-M21 WeakPolarHBondContact O-CB 3.19Å; F18-M21 PolarHBondContact O-N 3.38Å; F18-M21 VanDerWaalsContact O-N 3.09Å; F18-L28 HydrophobicContact CB-CD1 3.77Å; F18-I31 HydrophobicContact CD1-CD1 4.27Å; F18-I31 HydrophobicContact CD1-CG2 4.22Å; F18-I31 HydrophobicContact CD2-CG2 3.82Å; F18-I31 HydrophobicContact CE1-CG2 4.34Å; F18-I31 HydrophobicContact CE2-CG2 3.96Å; F18-I31 HydrophobicContact CG-CG2 3.96Å; F18-I31 HydrophobicContact CZ-CG2 4.21Å; F18-F36 HydrophobicContact CE2-CB 3.92Å; F18-F36 HydrophobicContact CZ-CB 4.35Å; F18-P39 HydrophobicContact CD1-CB 4.38Å; F18-P39 HydrophobicContact CE1-CB 3.92Å; F18-P39 HydrophobicContact CE2-CB 4.12Å; F18-P39 HydrophobicContact CZ-CB 3.77Å; F18-I47 HydrophobicContact CD1-CD1 4.3Å; F18-I47 HydrophobicContact CE1-CD1 3.78Å; F18-I72 HydrophobicContact CD1-CD1 4.44Å; F18-I72 HydrophobicContact CE1-CD1 3.82Å
19D93.4Very high89.2Confident96 Ų9674.2 Ų74.251%0.51336%0.363SS..G310 helixtrans-61.5-30.9179.2-53-80.9000112.3S17 M21S17-D19 VanDerWaalsContact C-N 3.29Å; S17-D19 PolarHBondContact O-N 3.32Å; S17-D19 WeakPolarHBondContact OG-CB 3.05Å; S17-D19 PolarHBondContact OG-N 2.84Å; S17-D19 VanDerWaalsContact OG-N 3.09Å; S17-D19 PolarHBondContact OG-OD2 3.36Å; D19-M21 VanDerWaalsContact C-N 3.33Å
20R94Very high90.8Very high172 Ų17273.3 Ų73.365%0.64936%0.357SS*.G310 helixtrans-84.5-4.5-179.8-68.1179.7178.7169.5-3.1113.7C15 D16 S17 F18 N22C15-R20 VanDerWaalsContact SG-CB 3.51Å; D16-R20 VanDerWaalsContact CG-NH1 3.31Å; D16-R20 IonicContact OD1-CZ 3.73Å; D16-R20 IonicContact OD1-NH1 2.8Å; D16-R20 PolarHBondContact OD1-NH1 3.48Å; D16-R20 IonicContact OD2-NH1 3.01Å; D16-R20 PolarHBondContact OD2-NH1 3.14Å; S17-R20 PolarHBondContact O-N 2.7Å; F18-R20 PolarHBondContact O-N 3.5Å; R20-N22 VanDerWaalsContact C-N 3.28Å; R20-N22 PolarHBondContact O-N 3.3Å
21M95.2Very high92.2Very high4 Ų466.2 Ų66.22%0.0232%0.324CS..G310 helixtrans-84.72.9179.5-63.9178.8-176.400113.5C15 F18 D19 L23 P39 I47 I48 I51C15-M21 HydrophobicContact CB-CE 4.03Å; C15-M21 HydrophobicContact CB-CG 4.11Å; C15-M21 WeakPolarHBondContact O-CE 3.4Å; C15-M21 VanDerWaalsContact SG-CG 3.53Å; F18-M21 HydrophobicContact CD1-CE 4.37Å; F18-M21 HydrophobicContact CD1-SD 3.95Å; F18-M21 WeakPolarHBondContact O-CB 3.19Å; F18-M21 PolarHBondContact O-N 3.38Å; F18-M21 VanDerWaalsContact O-N 3.09Å; D19-M21 VanDerWaalsContact C-N 3.33Å; M21-L23 VanDerWaalsContact C-N 3.29Å; M21-L23 HydrophobicContact CB-CD1 4.25Å; M21-L23 HydrophobicContact CB-CD2 4.18Å; M21-L23 HydrophobicContact CB-CG 3.87Å; M21-L23 PolarHBondContact O-N 2.9Å; M21-P39 HydrophobicContact CE-CB 3.87Å; M21-P39 HydrophobicContact CE-CG 3.95Å; M21-I47 HydrophobicContact CE-CB 4.49Å; M21-I47 HydrophobicContact CE-CD1 4.18Å; M21-I47 HydrophobicContact SD-CB 3.85Å; M21-I47 HydrophobicContact SD-CD1 3.75Å; M21-I47 HydrophobicContact SD-CG1 4.39Å; M21-I47 HydrophobicContact SD-CG2 3.62Å; M21-I48 HydrophobicContact CG-CG1 4.28Å; M21-I51 WeakPolarHBondContact O-CD1 3.2Å
22N93.9Very high93.4Very high143 Ų14369 Ų6977%0.76534%0.337SS*.  trans53.944179.9-166.236.4000113.1R20 Q76R20-N22 VanDerWaalsContact C-N 3.28Å; R20-N22 PolarHBondContact O-N 3.3Å; N22-Q76 PolarHBondContact O-NE2 2.93Å
23L96.9Very high94.5Very high17 Ų1765 Ų659%0.08933%0.325CS..  trans-78.2154.7178.8-58.6177.4000110.9M21 E25 L27 L28 I31 I47 I51 I72 Q76M21-L23 VanDerWaalsContact C-N 3.29Å; M21-L23 HydrophobicContact CB-CD1 4.25Å; M21-L23 HydrophobicContact CB-CD2 4.18Å; M21-L23 HydrophobicContact CB-CG 3.87Å; M21-L23 PolarHBondContact O-N 2.9Å; L23-E25 PolarHBondContact O-N 3.47Å; L23-L27 HydrophobicContact CD2-CD2 4.43Å; L23-L28 HydrophobicContact CD1-CD1 4.49Å; L23-I31 HydrophobicContact CD1-CD1 3.52Å; L23-I47 HydrophobicContact CD2-CG2 4.47Å; L23-I51 HydrophobicContact CD2-CD1 4.27Å; L23-I51 HydrophobicContact CD2-CG2 4.42Å; L23-I72 HydrophobicContact CD1-CG2 3.95Å; L23-I72 HydrophobicContact CD2-CG2 4.03Å; L23-Q76 HydrophobicContact CD2-CB 4.42Å; L23-Q76 HydrophobicContact CD2-CG 4.17Å
24K97.3Very high95.1Very high72 Ų7265.2 Ų65.231%0.31332%0.319SS..  trans-56138.6170.7-70.9168.9-178.1166.10109.5N26 L27 L28 L75 Q76 I78 M111K24-N26 VanDerWaalsContact C-N 3.32Å; K24-N26 PolarHBondContact O-N 3.06Å; K24-L27 HydrophobicContact CB-CB 4.16Å; K24-L27 WeakPolarHBondContact O-CA 3.48Å; K24-L27 WeakPolarHBondContact O-CB 3.38Å; K24-L27 PolarHBondContact O-N 3.4Å; K24-L28 PolarHBondContact O-N 2.93Å; K24-L75 PolarHBondContact NZ-O 3.28Å; K24-Q76 WeakPolarHBondContact CE-O 3.49Å; K24-Q76 PolarHBondContact NZ-O 2.92Å; K24-I78 PolarHBondContact NZ-O 2.91Å; K24-M111 HydrophobicContact CD-CE 3.96Å
25E97.1Very high95.3Very high168 Ų16864.5 Ų64.579%0.78533%0.326SS*.Hα-helixtrans-54.6-45.2-176.9-172.6179.1173.200112.7L23 L27 L28 R29L23-E25 PolarHBondContact O-N 3.47Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 2.98Å; E25-L28 PolarHBondContact O-N 3.01Å; E25-R29 WeakPolarHBondContact O-CB 3.37Å; E25-R29 PolarHBondContact O-N 2.84Å
26N97.5Very high95.4Very high80 Ų8065.7 Ų65.743%0.42833%0.33SS..Hα-helixtrans-64.8-34.5177.6-72.4-10.1000113.1K24 G30 Y110 M111K24-N26 VanDerWaalsContact C-N 3.32Å; K24-N26 PolarHBondContact O-N 3.06Å; N26-G30 PolarHBondContact O-N 3.18Å; N26-Y110 WeakPolarHBondContact CB-O 3.47Å; N26-Y110 VanDerWaalsContact CG-O 3.24Å; N26-Y110 PolarHBondContact ND2-O 3.14Å; N26-M111 HydrophobicContact CB-CG 3.83Å
27L98Very high95.3Very high0 Ų069.2 Ų69.20%034%0.344CS..Hα-helixtrans-69-45.5174.9176.355.4000110.6L23 K24 E25 R29 G30 I31 I72 L75 Q76 M111L23-L27 HydrophobicContact CD2-CD2 4.43Å; K24-L27 HydrophobicContact CB-CB 4.16Å; K24-L27 WeakPolarHBondContact O-CA 3.48Å; K24-L27 WeakPolarHBondContact O-CB 3.38Å; K24-L27 PolarHBondContact O-N 3.4Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 2.98Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.21Å; L27-G30 WeakPolarHBondContact O-CA 3.49Å; L27-G30 PolarHBondContact O-N 3.25Å; L27-I31 HydrophobicContact CD1-CD1 4.39Å; L27-I31 HydrophobicContact CD1-CG1 4.39Å; L27-I31 HydrophobicContact CG-CD1 4.15Å; L27-I31 WeakPolarHBondContact O-CG1 3.46Å; L27-I31 PolarHBondContact O-N 3.06Å; L27-I72 HydrophobicContact CD2-CG2 4.14Å; L27-L75 HydrophobicContact CD1-CB 3.69Å; L27-L75 HydrophobicContact CD1-CD1 3.64Å; L27-L75 HydrophobicContact CD1-CG 4.31Å; L27-L75 HydrophobicContact CD2-CB 3.98Å; L27-L75 HydrophobicContact CG-CB 4.43Å; L27-Q76 HydrophobicContact CD2-CB 3.86Å; L27-M111 HydrophobicContact CB-SD 3.76Å; L27-M111 HydrophobicContact CD1-SD 4.21Å; L27-M111 HydrophobicContact CG-SD 4.48Å
28L97.4Very high95.2Very high32 Ų3276.1 Ų76.117%0.16837%0.371CS..Hα-helixtrans-59.6-41.4177.6-172.663.6000111.1F18 L23 K24 E25 G30 I31 F32F18-L28 HydrophobicContact CB-CD1 3.77Å; L23-L28 HydrophobicContact CD1-CD1 4.49Å; K24-L28 PolarHBondContact O-N 2.93Å; E25-L28 PolarHBondContact O-N 3.01Å; L28-G30 VanDerWaalsContact C-N 3.35Å; L28-G30 PolarHBondContact O-N 3.4Å; L28-I31 WeakPolarHBondContact O-CB 3.26Å; L28-I31 PolarHBondContact O-N 2.72Å; L28-F32 HydrophobicContact CD1-CD2 4.21Å; L28-F32 HydrophobicContact CD1-CE2 3.55Å; L28-F32 HydrophobicContact CD1-CZ 4.12Å; L28-F32 HydrophobicContact CD2-CE2 4.24Å; L28-F32 HydrophobicContact CG-CD2 4.04Å; L28-F32 HydrophobicContact CG-CE2 3.61Å; L28-F32 WeakPolarHBondContact O-CD2 3.12Å; L28-F32 PolarHBondContact O-N 3.47Å; L28-F32 VanDerWaalsContact O-N 3.14Å
29R97Very high95.1Very high145 Ų14576.3 Ų76.355%0.54737%0.372SS..Hα-helixtrans-60.2-42.4172.4-171.4179175.7-179.8-3.3112.4E25 L27 F32 A33 Y110E25-R29 WeakPolarHBondContact O-CB 3.37Å; E25-R29 PolarHBondContact O-N 2.84Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.21Å; R29-F32 PolarHBondContact O-N 3.18Å; R29-A33 VanDerWaalsContact O-CB 3.26Å; R29-A33 WeakPolarHBondContact O-CB 3.36Å; R29-A33 PolarHBondContact O-N 3.2Å; R29-Y110 HydrophobicContact CB-CD2 4.07Å; R29-Y110 HydrophobicContact CB-CE2 4.43Å; R29-Y110 HydrophobicContact CB-CG 4.4Å; R29-Y110 HydrophobicContact CG-CD1 4.36Å; R29-Y110 HydrophobicContact CG-CD2 3.8Å; R29-Y110 HydrophobicContact CG-CE1 4.3Å; R29-Y110 HydrophobicContact CG-CE2 3.74Å; R29-Y110 HydrophobicContact CG-CG 4.11Å
30G97.5Very high94.9Very high0 Ų073.3 Ų73.30%036%0.359CS..Hα-helixtrans-62.9-41.5175.500000113.2N26 L27 L28 F32 A33 Y34 L107N26-G30 PolarHBondContact O-N 3.18Å; L27-G30 WeakPolarHBondContact O-CA 3.49Å; L27-G30 PolarHBondContact O-N 3.25Å; L28-G30 VanDerWaalsContact C-N 3.35Å; L28-G30 PolarHBondContact O-N 3.4Å; G30-F32 PolarHBondContact O-N 3.1Å; G30-A33 PolarHBondContact O-N 3.3Å; G30-Y34 WeakPolarHBondContact O-CB 3.22Å; G30-Y34 PolarHBondContact O-N 3.08Å; G30-L107 WeakPolarHBondContact CA-O 3.44Å
31I96.9Very high94.6Very high0 Ų067.3 Ų67.30%035%0.346CS..Hα-helixtrans-58-49.9175.8-69.7167000111.1F18 L23 L27 L28 Y34 F36 I72 L107F18-I31 HydrophobicContact CD1-CD1 4.27Å; F18-I31 HydrophobicContact CD1-CG2 4.22Å; F18-I31 HydrophobicContact CD2-CG2 3.82Å; F18-I31 HydrophobicContact CE1-CG2 4.34Å; F18-I31 HydrophobicContact CE2-CG2 3.96Å; F18-I31 HydrophobicContact CG-CG2 3.96Å; F18-I31 HydrophobicContact CZ-CG2 4.21Å; L23-I31 HydrophobicContact CD1-CD1 3.52Å; L27-I31 HydrophobicContact CD1-CD1 4.39Å; L27-I31 HydrophobicContact CD1-CG1 4.39Å; L27-I31 HydrophobicContact CG-CD1 4.15Å; L27-I31 WeakPolarHBondContact O-CG1 3.46Å; L27-I31 PolarHBondContact O-N 3.06Å; L28-I31 WeakPolarHBondContact O-CB 3.26Å; L28-I31 PolarHBondContact O-N 2.72Å; I31-Y34 PolarHBondContact O-N 3.02Å; I31-F36 HydrophobicContact CG2-CB 3.86Å; I31-F36 HydrophobicContact CG2-CD2 4.22Å; I31-F36 PolarHBondContact O-N 3.21Å; I31-I72 HydrophobicContact CD1-CD1 3.71Å; I31-I72 HydrophobicContact CD1-CG1 3.83Å; I31-I72 HydrophobicContact CD1-CG2 4.18Å; I31-I72 HydrophobicContact CG1-CD1 3.99Å; I31-I72 HydrophobicContact CG1-CG1 4.05Å; I31-L107 HydrophobicContact CG1-CD2 4.14Å
32F96Very high94.4Very high84 Ų8467.5 Ų67.537%0.36835%0.347SS..Hα-helixtrans-70-38.8179.6-69.9-56.9000112.5L28 R29 G30 Y34 G35 F36L28-F32 HydrophobicContact CD1-CD2 4.21Å; L28-F32 HydrophobicContact CD1-CE2 3.55Å; L28-F32 HydrophobicContact CD1-CZ 4.12Å; L28-F32 HydrophobicContact CD2-CE2 4.24Å; L28-F32 HydrophobicContact CG-CD2 4.04Å; L28-F32 HydrophobicContact CG-CE2 3.61Å; L28-F32 WeakPolarHBondContact O-CD2 3.12Å; L28-F32 PolarHBondContact O-N 3.47Å; L28-F32 VanDerWaalsContact O-N 3.14Å; R29-F32 PolarHBondContact O-N 3.18Å; G30-F32 PolarHBondContact O-N 3.1Å; F32-Y34 VanDerWaalsContact C-N 3.26Å; F32-Y34 PolarHBondContact O-N 3.16Å; F32-G35 WeakPolarHBondContact O-CA 3.41Å; F32-G35 PolarHBondContact O-N 3.48Å; F32-F36 WeakPolarHBondContact CD1-O 3.46Å
33A95.5Very high94.4Very high64 Ų6461 Ų6153%0.52931%0.312SS..Hα-helixtrans-64.5-31176.500000112.7R29 G30 G35 Y110R29-A33 VanDerWaalsContact O-CB 3.26Å; R29-A33 WeakPolarHBondContact O-CB 3.36Å; R29-A33 PolarHBondContact O-N 3.2Å; G30-A33 PolarHBondContact O-N 3.3Å; A33-G35 PolarHBondContact O-N 3.29Å; A33-Y110 HydrophobicContact CB-CE2 3.78Å
34Y93.5Very high94.2Very high96 Ų9662 Ų6238%0.37632%0.316SS..THydrogen-bonded Turntrans-68.7-18.1172.7-165.6-102.4000113G30 I31 F32 F36 A106 L107G30-Y34 WeakPolarHBondContact O-CB 3.22Å; G30-Y34 PolarHBondContact O-N 3.08Å; I31-Y34 PolarHBondContact O-N 3.02Å; F32-Y34 VanDerWaalsContact C-N 3.26Å; F32-Y34 PolarHBondContact O-N 3.16Å; Y34-F36 HydrophobicContact CD1-CD1 4.3Å; Y34-F36 HydrophobicContact CD1-CD2 4.06Å; Y34-F36 AromaticContact CD1-CE1 3.91Å; Y34-F36 HydrophobicContact CD1-CE1 3.91Å; Y34-F36 AromaticContact CD1-CE2 3.64Å; Y34-F36 HydrophobicContact CD1-CE2 3.64Å; Y34-F36 HydrophobicContact CD1-CG 4.37Å; Y34-F36 AromaticContact CD1-CZ 3.56Å; Y34-F36 HydrophobicContact CD1-CZ 3.56Å; Y34-F36 HydrophobicContact CE1-CE1 4Å; Y34-F36 HydrophobicContact CE1-CE2 4.02Å; Y34-F36 AromaticContact CE1-CZ 3.56Å; Y34-F36 HydrophobicContact CE1-CZ 3.56Å; Y34-A106 HydrophobicContact CD2-CB 3.52Å; Y34-A106 HydrophobicContact CE2-CB 3.58Å; Y34-L107 HydrophobicContact CD1-CD2 4.24Å; Y34-L107 HydrophobicContact CG-CD2 3.97Å
35G92.3Very high94Very high56 Ų5659.2 Ų59.258%0.57730%0.304SS*.THydrogen-bonded Turntrans10211.8178.300000114.9F32 A33F32-G35 WeakPolarHBondContact O-CA 3.41Å; F32-G35 PolarHBondContact O-N 3.48Å; A33-G35 PolarHBondContact O-N 3.29Å
36F92.1Very high93.9Very high34 Ų3451.2 Ų51.215%0.14927%0.267CS..  trans-81.2120.5173.5-66.5-31.3000111.1F18 I31 F32 Y34 A68 L107F18-F36 HydrophobicContact CE2-CB 3.92Å; F18-F36 HydrophobicContact CZ-CB 4.35Å; I31-F36 HydrophobicContact CG2-CB 3.86Å; I31-F36 HydrophobicContact CG2-CD2 4.22Å; I31-F36 PolarHBondContact O-N 3.21Å; F32-F36 WeakPolarHBondContact CD1-O 3.46Å; Y34-F36 HydrophobicContact CD1-CD1 4.3Å; Y34-F36 HydrophobicContact CD1-CD2 4.06Å; Y34-F36 AromaticContact CD1-CE1 3.91Å; Y34-F36 HydrophobicContact CD1-CE1 3.91Å; Y34-F36 AromaticContact CD1-CE2 3.64Å; Y34-F36 HydrophobicContact CD1-CE2 3.64Å; Y34-F36 HydrophobicContact CD1-CG 4.37Å; Y34-F36 AromaticContact CD1-CZ 3.56Å; Y34-F36 HydrophobicContact CD1-CZ 3.56Å; Y34-F36 HydrophobicContact CE1-CE1 4Å; Y34-F36 HydrophobicContact CE1-CE2 4.02Å; Y34-F36 AromaticContact CE1-CZ 3.56Å; Y34-F36 HydrophobicContact CE1-CZ 3.56Å; F36-A68 HydrophobicContact CE2-CB 3.5Å; F36-A68 HydrophobicContact CZ-CB 3.79Å; F36-L107 HydrophobicContact CD2-CD2 4.23Å; F36-L107 HydrophobicContact CE2-CD2 4.08Å
37E89.5Confident93.9Very high164 Ų16447.4 Ų47.477%0.76625%0.246SC*.  trans-97.2-44.3177.6-62.7-177.917900112.8
38K92.1Very high93.7Very high170 Ų17048.8 Ų48.874%0.73925%0.253SS*.SBendtrans-132.8142.6-178.5-68.9-175.9179.8178.60111.1
39P93.5Very high93.6Very high5 Ų547.3 Ų47.33%0.03225%0.245CC..  trans-67.6137.9176.628-34.8000111.3D16 F18 M21 Q43 Q44D16-P39 WeakPolarHBondContact O-CD 3.43Å; D16-P39 WeakPolarHBondContact O-CG 3.32Å; F18-P39 HydrophobicContact CD1-CB 4.38Å; F18-P39 HydrophobicContact CE1-CB 3.92Å; F18-P39 HydrophobicContact CE2-CB 4.12Å; F18-P39 HydrophobicContact CZ-CB 3.77Å; M21-P39 HydrophobicContact CE-CB 3.87Å; M21-P39 HydrophobicContact CE-CG 3.95Å; P39-Q43 VanDerWaalsContact CA-OE1 3.29Å; P39-Q43 HydrophobicContact CB-CB 3.78Å; P39-Q44 HydrophobicContact CB-CG 3.82Å; P39-Q44 HydrophobicContact CG-CG 3.67Å; P39-Q44 PolarHBondContact O-NE2 3.3Å
40S89.7Confident93.6Very high33 Ų3340.4 Ų40.423%0.23122%0.22CC..  trans-67.2164.1170.172.90000111.8I42 Q43 Q44 T64S40-I42 PolarHBondContact O-N 2.88Å; S40-I42 VanDerWaalsContact O-N 3.09Å; S40-I42 WeakPolarHBondContact OG-CG2 3.4Å; S40-Q43 WeakPolarHBondContact O-CA 3.27Å; S40-Q43 WeakPolarHBondContact O-CB 3.31Å; S40-Q43 PolarHBondContact O-N 3.42Å; S40-Q43 WeakPolarHBondContact OG-CG 3.41Å; S40-Q43 PolarHBondContact OG-N 2.89Å; S40-Q43 PolarHBondContact OG-OE1 3.18Å; S40-Q44 VanDerWaalsContact O-CG 3.27Å; S40-Q44 WeakPolarHBondContact O-CG 3.37Å; S40-Q44 PolarHBondContact O-N 3.17Å; S40-T64 VanDerWaalsContact CB-O 3.24Å; S40-T64 WeakPolarHBondContact CB-O 3.11Å; S40-T64 PolarHBondContact OG-O 2.88Å
41A88.1Confident93.5Very high46 Ų4642.1 Ų42.138%0.3823%0.228SC..Hα-helixtrans-53.5-36.1-177.700000113.8I7 R45I7-A41 HydrophobicContact CD1-CB 4.18Å; A41-R45 PolarHBondContact O-NH1 3.43Å
42I89.7Confident93.4Very high8 Ų847.2 Ų47.24%0.04125%0.252CS..Hα-helixtrans-73-42.2175.3-17061.8000111.6S40 Q44 R45 A46 A58 A60 T64 I217S40-I42 PolarHBondContact O-N 2.88Å; S40-I42 VanDerWaalsContact O-N 3.09Å; S40-I42 WeakPolarHBondContact OG-CG2 3.4Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 2.92Å; I42-R45 PolarHBondContact O-N 3.41Å; I42-A46 HydrophobicContact CD1-CB 4.24Å; I42-A46 HydrophobicContact CG1-CB 4.31Å; I42-A46 WeakPolarHBondContact O-CB 3.4Å; I42-A46 PolarHBondContact O-N 3.45Å; I42-A58 HydrophobicContact CD1-CB 4.13Å; I42-A60 HydrophobicContact CB-CB 3.99Å; I42-A60 HydrophobicContact CD1-CB 3.98Å; I42-A60 HydrophobicContact CG1-CB 3.69Å; I42-A60 HydrophobicContact CG2-CB 4.28Å; I42-T64 VanDerWaalsContact CG2-O 3.24Å; I42-T64 WeakPolarHBondContact CG2-O 3.39Å; I42-I217 HydrophobicContact CD1-CG2 3.77Å
43Q94.1Very high93.3Very high6 Ų644.9 Ų44.93%0.02825%0.252CS..Hα-helixtrans-61.9-41.2177.8-72.2168.4-11.500111.7P39 S40 R45 I47 G65 T69P39-Q43 VanDerWaalsContact CA-OE1 3.29Å; P39-Q43 HydrophobicContact CB-CB 3.78Å; S40-Q43 WeakPolarHBondContact O-CA 3.27Å; S40-Q43 WeakPolarHBondContact O-CB 3.31Å; S40-Q43 PolarHBondContact O-N 3.42Å; S40-Q43 WeakPolarHBondContact OG-CG 3.41Å; S40-Q43 PolarHBondContact OG-N 2.89Å; S40-Q43 PolarHBondContact OG-OE1 3.18Å; Q43-R45 PolarHBondContact O-N 3.39Å; Q43-I47 HydrophobicContact CB-CD1 3.71Å; Q43-I47 HydrophobicContact CB-CG1 4.29Å; Q43-I47 HydrophobicContact CG-CD1 4.1Å; Q43-I47 WeakPolarHBondContact O-CB 3.43Å; Q43-I47 VanDerWaalsContact O-CG1 3.31Å; Q43-I47 WeakPolarHBondContact O-CG1 3.16Å; Q43-I47 PolarHBondContact O-N 3.14Å; Q43-G65 PolarHBondContact NE2-O 3.48Å; Q43-T69 WeakPolarHBondContact CG-OG1 3.24Å
44Q93.5Very high93.3Very high39 Ų3946.3 Ų46.318%0.18224%0.244CC..Hα-helixtrans-58.6-28.7178-6717423.900113.4V14 C15 P39 S40 I42V14-Q44 HydrophobicContact CG1-CB 3.86Å; C15-Q44 PolarHBondContact N-O 3.49Å; C15-Q44 WeakPolarHBondContact O-CA 3.42Å; C15-Q44 WeakPolarHBondContact O-CB 3.43Å; C15-Q44 VanDerWaalsContact O-CG 3.26Å; C15-Q44 WeakPolarHBondContact O-CG 3.26Å; P39-Q44 HydrophobicContact CB-CG 3.82Å; P39-Q44 HydrophobicContact CG-CG 3.67Å; P39-Q44 PolarHBondContact O-NE2 3.3Å; S40-Q44 VanDerWaalsContact O-CG 3.27Å; S40-Q44 WeakPolarHBondContact O-CG 3.37Å; S40-Q44 PolarHBondContact O-N 3.17Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 2.92Å
45R93.3Very high93.4Very high13 Ų1342.9 Ų42.95%0.04923%0.232CC..Hα-helixtrans-104.3-33.4-175.7-71.4170178.373.1-0.7113D4 V14 A41 I42 Q43 P49 I217D4-R45 PolarHBondContact O-NH2 3.01Å; D4-R45 IonicContact OD1-CZ 3.77Å; D4-R45 IonicContact OD1-NH1 3.75Å; D4-R45 IonicContact OD1-NH2 2.84Å; D4-R45 PolarHBondContact OD1-NH2 3.06Å; V14-R45 HydrophobicContact CG2-CG 4.07Å; A41-R45 PolarHBondContact O-NH1 3.43Å; I42-R45 PolarHBondContact O-N 3.41Å; Q43-R45 PolarHBondContact O-N 3.39Å; R45-P49 WeakPolarHBondContact O-CD 3.36Å; R45-P49 VanDerWaalsContact O-CG 3.22Å; R45-P49 WeakPolarHBondContact O-CG 3.48Å; R45-I217 HydrophobicContact CB-CD1 4.09Å; R45-I217 HydrophobicContact CB-CG2 4.18Å; R45-I217 WeakPolarHBondContact O-CD1 3.3Å
46A95Very high93.5Very high1 Ų140.2 Ų40.21%0.00820%0.204CC..Hα-helixtrans-97.7-24.2-169.700000114.3I42 S50 T69 I217I42-A46 HydrophobicContact CD1-CB 4.24Å; I42-A46 HydrophobicContact CG1-CB 4.31Å; I42-A46 WeakPolarHBondContact O-CB 3.4Å; I42-A46 PolarHBondContact O-N 3.45Å; A46-S50 VanDerWaalsContact O-CB 3.27Å; A46-S50 WeakPolarHBondContact O-CB 3.28Å; A46-S50 PolarHBondContact O-N 3.24Å; A46-S50 PolarHBondContact O-OG 3Å; A46-T69 HydrophobicContact CB-CG2 3.51Å; A46-I217 VanDerWaalsContact CA-CD1 3.44Å; A46-I217 HydrophobicContact CB-CD1 3.56Å
47I96.3Very high93.7Very high0 Ų038.6 Ų38.60%020%0.197CC..Hα-helixtrans-65.5-53-178.3-68.9173.9000110.6F18 M21 L23 Q43 S50 I51 T69 I72F18-I47 HydrophobicContact CD1-CD1 4.3Å; F18-I47 HydrophobicContact CE1-CD1 3.78Å; M21-I47 HydrophobicContact CE-CB 4.49Å; M21-I47 HydrophobicContact CE-CD1 4.18Å; M21-I47 HydrophobicContact SD-CB 3.85Å; M21-I47 HydrophobicContact SD-CD1 3.75Å; M21-I47 HydrophobicContact SD-CG1 4.39Å; M21-I47 HydrophobicContact SD-CG2 3.62Å; L23-I47 HydrophobicContact CD2-CG2 4.47Å; Q43-I47 HydrophobicContact CB-CD1 3.71Å; Q43-I47 HydrophobicContact CB-CG1 4.29Å; Q43-I47 HydrophobicContact CG-CD1 4.1Å; Q43-I47 WeakPolarHBondContact O-CB 3.43Å; Q43-I47 VanDerWaalsContact O-CG1 3.31Å; Q43-I47 WeakPolarHBondContact O-CG1 3.16Å; Q43-I47 PolarHBondContact O-N 3.14Å; I47-S50 CarbonylContact O-C 3.42Å; I47-S50 WeakPolarHBondContact O-CA 3.49Å; I47-S50 WeakPolarHBondContact O-CB 3.4Å; I47-S50 PolarHBondContact O-N 3.42Å; I47-S50 VanDerWaalsContact O-N 3.1Å; I47-I51 HydrophobicContact CG2-CG2 4.14Å; I47-I51 PolarHBondContact O-N 3.2Å; I47-T69 HydrophobicContact CG1-CG2 4.01Å; I47-I72 HydrophobicContact CD1-CD1 3.89Å; I47-I72 HydrophobicContact CD1-CG2 4.31Å; I47-I72 HydrophobicContact CG2-CG2 3.99Å
48I95.5Very high93.8Very high29 Ų2930.9 Ų30.915%0.14916%0.161CC..Hα-helixtrans-56-55.6-176.6-62.6-174.6000113.1Y11 C15 M21 S50 I51 E52Y11-I48 HydrophobicContact CE1-CB 4.48Å; Y11-I48 HydrophobicContact CE1-CG2 4.34Å; Y11-I48 VanDerWaalsContact OH-CG2 3.27Å; Y11-I48 WeakPolarHBondContact OH-CG2 3.48Å; C15-I48 HydrophobicContact CB-CD1 3.42Å; C15-I48 VanDerWaalsContact CB-CD1 3.42Å; C15-I48 HydrophobicContact CB-CG1 4.33Å; M21-I48 HydrophobicContact CG-CG1 4.28Å; I48-S50 PolarHBondContact O-N 2.93Å; I48-I51 WeakPolarHBondContact O-CG1 3.3Å; I48-I51 PolarHBondContact O-N 3.28Å; I48-I51 VanDerWaalsContact O-N 3.16Å; I48-E52 HydrophobicContact CG2-CG 4.35Å; I48-E52 WeakPolarHBondContact O-CG 3.35Å; I48-E52 PolarHBondContact O-N 3.23Å
49P95.3Very high93.8Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-62.4-29.7179.524.7-33.6000112Y11 R45 R54 V56 V215 I217Y11-P49 HydrophobicContact CD1-CB 4.32Å; Y11-P49 HydrophobicContact CD1-CG 4.07Å; Y11-P49 HydrophobicContact CD2-CB 4.4Å; Y11-P49 HydrophobicContact CE1-CB 4.16Å; Y11-P49 HydrophobicContact CE1-CG 4.07Å; Y11-P49 HydrophobicContact CE2-CB 4.25Å; Y11-P49 HydrophobicContact CG-CB 4.44Å; R45-P49 WeakPolarHBondContact O-CD 3.36Å; R45-P49 VanDerWaalsContact O-CG 3.22Å; R45-P49 WeakPolarHBondContact O-CG 3.48Å; P49-R54 HydrophobicContact CB-CB 4.45Å; P49-R54 VanDerWaalsContact O-CB 3.25Å; P49-R54 WeakPolarHBondContact O-CB 3.47Å; P49-R54 PolarHBondContact O-N 2.7Å; P49-R54 VanDerWaalsContact O-N 3.08Å; P49-V56 HydrophobicContact CB-CG2 4.11Å; P49-V56 HydrophobicContact CG-CG2 4.29Å; P49-V215 HydrophobicContact CB-CB 4.34Å; P49-V215 HydrophobicContact CB-CG1 4.21Å; P49-V215 HydrophobicContact CB-CG2 4.06Å; P49-V215 HydrophobicContact CG-CG1 4.27Å; P49-I217 HydrophobicContact CG-CD1 4.48Å
50S96.1Very high93.3Very high1 Ų123.5 Ų23.51%0.00713%0.13CC..Hα-helixtrans-70.3-41.6176.3-56.70000112.2A46 I47 I48 E52 G53 A73 Q77 Q191A46-S50 VanDerWaalsContact O-CB 3.27Å; A46-S50 WeakPolarHBondContact O-CB 3.28Å; A46-S50 PolarHBondContact O-N 3.24Å; A46-S50 PolarHBondContact O-OG 3Å; I47-S50 CarbonylContact O-C 3.42Å; I47-S50 WeakPolarHBondContact O-CA 3.49Å; I47-S50 WeakPolarHBondContact O-CB 3.4Å; I47-S50 PolarHBondContact O-N 3.42Å; I47-S50 VanDerWaalsContact O-N 3.1Å; I48-S50 PolarHBondContact O-N 2.93Å; S50-E52 VanDerWaalsContact C-N 3.29Å; S50-E52 PolarHBondContact O-N 3.12Å; S50-G53 PolarHBondContact O-N 3.25Å; S50-A73 VanDerWaalsContact CB-CB 3.41Å; S50-Q77 PolarHBondContact O-NE2 3.07Å; S50-Q77 VanDerWaalsContact O-NE2 3.14Å; S50-Q191 PolarHBondContact O-NE2 3.34Å
51I95.5Very high92.5Very high36 Ų3623.8 Ų23.819%0.18513%0.128CC..Hα-helixtrans-72.8-23.917763.9172.8000112.6M21 L23 I47 I48 G53 A73 Q76M21-I51 WeakPolarHBondContact O-CD1 3.2Å; L23-I51 HydrophobicContact CD2-CD1 4.27Å; L23-I51 HydrophobicContact CD2-CG2 4.42Å; I47-I51 HydrophobicContact CG2-CG2 4.14Å; I47-I51 PolarHBondContact O-N 3.2Å; I48-I51 WeakPolarHBondContact O-CG1 3.3Å; I48-I51 PolarHBondContact O-N 3.28Å; I48-I51 VanDerWaalsContact O-N 3.16Å; I51-G53 PolarHBondContact O-N 3.34Å; I51-A73 HydrophobicContact CG2-CB 4.35Å; I51-Q76 HydrophobicContact CB-CB 4.47Å; I51-Q76 HydrophobicContact CB-CG 3.93Å; I51-Q76 HydrophobicContact CG2-CB 3.73Å; I51-Q76 HydrophobicContact CG2-CG 3.65Å
52E94.2Very high91.6Very high106 Ų10622.1 Ų22.150%0.49511%0.113SC..THydrogen-bonded Turntrans-73.3-0.7171.8-71.7176.4168.300113.2Y11 I48 S50 R54Y11-E52 PolarHBondContact OH-OE1 3.16Å; Y11-E52 PolarHBondContact OH-OE2 3Å; I48-E52 HydrophobicContact CG2-CG 4.35Å; I48-E52 WeakPolarHBondContact O-CG 3.35Å; I48-E52 PolarHBondContact O-N 3.23Å; S50-E52 VanDerWaalsContact C-N 3.29Å; S50-E52 PolarHBondContact O-N 3.12Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 HydrophobicContact CB-CG 4.22Å; E52-R54 PolarHBondContact O-N 2.89Å
53G94.1Very high90.7Very high36 Ų3622.5 Ų22.537%0.37112%0.119SC..THydrogen-bonded Turntrans77.514.6179.200000114.1S50 I51S50-G53 PolarHBondContact O-N 3.25Å; I51-G53 PolarHBondContact O-N 3.34Å
54R95.1Very high89.8Confident94 Ų9424.1 Ų24.136%0.35513%0.129SC..  trans-76.5146.8177.3-56-65.8-61.8-80.4-5.9110.2P49 E52 Q191 V215P49-R54 HydrophobicContact CB-CB 4.45Å; P49-R54 VanDerWaalsContact O-CB 3.25Å; P49-R54 WeakPolarHBondContact O-CB 3.47Å; P49-R54 PolarHBondContact O-N 2.7Å; P49-R54 VanDerWaalsContact O-N 3.08Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 HydrophobicContact CB-CG 4.22Å; E52-R54 PolarHBondContact O-N 2.89Å; R54-Q191 WeakPolarHBondContact O-CG 3.15Å; R54-Q191 PolarHBondContact O-NE2 3.46Å; R54-V215 HydrophobicContact CB-CG2 4.18Å
55N95.9Very high89.3Confident23 Ų2322.8 Ų22.812%0.12313%0.126CC..  trans-63.5136164.1-70.4-32.4000109.2I192 M211 R212 P214 V215N55-I192 CarbonylContact C-O 3.6Å; N55-I192 VanDerWaalsContact CA-O 3.24Å; N55-I192 WeakPolarHBondContact CA-O 3.42Å; N55-I192 PolarHBondContact OD1-N 2.92Å; N55-M211 HydrophobicContact CB-CB 4.34Å; N55-M211 HydrophobicContact CB-CE 4.16Å; N55-R212 PolarHBondContact ND2-N 2.89Å; N55-R212 PolarHBondContact ND2-O 3.27Å; N55-P214 HydrophobicContact CB-CB 3.96Å; N55-P214 CarbonylContact O-C 3.6Å; N55-P214 VanDerWaalsContact O-CA 3.3Å; N55-P214 WeakPolarHBondContact O-CA 3.31Å; N55-V215 PolarHBondContact O-N 2.76Å
56V95.7Very high89.1Confident0 Ų022.6 Ų22.60%013%0.125CC..EExtended strand (participates in β ladder)trans-132.3128.7-176.7179.20000110.8P49 A58 I192 I193 L194 M211 V215 I217P49-V56 HydrophobicContact CB-CG2 4.11Å; P49-V56 HydrophobicContact CG-CG2 4.29Å; V56-A58 HydrophobicContact CG1-CB 4.15Å; V56-I192 PolarHBondContact N-O 3.37Å; V56-I193 HydrophobicContact CB-CG2 4.32Å; V56-I193 CarbonylContact O-C 3.53Å; V56-I193 WeakPolarHBondContact O-CA 3.42Å; V56-L194 PolarHBondContact O-N 3.07Å; V56-M211 WeakPolarHBondContact O-CE 3.39Å; V56-V215 CarbonylContact C-O 3.44Å; V56-V215 WeakPolarHBondContact CA-O 3.48Å; V56-V215 HydrophobicContact CG2-CB 4.36Å; V56-I217 HydrophobicContact CG1-CD1 4.25Å
57I95Very high89Confident1 Ų123.8 Ų23.81%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-108.2112.6165.6-60.9172000106.8L194 I199 M211 P214 V215 R216 I217 L218I57-L194 WeakPolarHBondContact CA-O 3.47Å; I57-L194 HydrophobicContact CG1-CB 4.45Å; I57-L194 HydrophobicContact CG2-CD2 4.4Å; I57-I199 HydrophobicContact CG2-CD1 4.12Å; I57-M211 HydrophobicContact CD1-SD 3.82Å; I57-M211 HydrophobicContact CG1-CE 3.98Å; I57-M211 HydrophobicContact CG1-SD 3.5Å; I57-M211 VanDerWaalsContact CG1-SD 3.5Å; I57-P214 HydrophobicContact CD1-CB 4.02Å; I57-P214 HydrophobicContact CD1-CG 3.73Å; I57-P214 HydrophobicContact CG1-CB 4.01Å; I57-P214 HydrophobicContact CG1-CG 4.29Å; I57-V215 PolarHBondContact N-O 3.01Å; I57-R216 HydrophobicContact CD1-CG 4.48Å; I57-R216 WeakPolarHBondContact O-CA 3.13Å; I57-I217 PolarHBondContact O-N 3.2Å; I57-L218 HydrophobicContact CG2-CD2 4.17Å
58A93Very high88.9Confident1 Ų124 Ų241%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-118.2113.2-176.500000110.4I42 V56 L194 L195 S196I42-A58 HydrophobicContact CD1-CB 4.13Å; V56-A58 HydrophobicContact CG1-CB 4.15Å; A58-L194 PolarHBondContact N-O 3.48Å; A58-L195 HydrophobicContact CB-CD2 4.31Å; A58-L195 HydrophobicContact CB-CG 4.27Å; A58-L195 WeakPolarHBondContact O-CA 3.3Å; A58-S196 PolarHBondContact O-N 2.99Å; A58-S196 VanDerWaalsContact O-N 3.15Å
59Q90.3Very high88.9Confident17 Ų1722.7 Ų22.78%0.07913%0.128CC..EExtended strand (participates in β ladder)trans-91.5124.4169-168.5177.81300109.5S196 A197 I199 I217 L218 L219Q59-S196 CarbonylContact C-O 3.11Å; Q59-S196 VanDerWaalsContact CA-O 3.29Å; Q59-S196 WeakPolarHBondContact CA-O 3.47Å; Q59-A197 WeakPolarHBondContact CG-O 3.38Å; Q59-A197 PolarHBondContact NE2-O 3.33Å; Q59-A197 VanDerWaalsContact NE2-O 3.13Å; Q59-I199 HydrophobicContact CB-CG1 3.92Å; Q59-I199 HydrophobicContact CG-CG1 3.95Å; Q59-I217 PolarHBondContact N-O 2.61Å; Q59-L218 HydrophobicContact CB-CD2 4Å; Q59-L219 VanDerWaalsContact OE1-N 3.17Å; Q59-L219 PolarHBondContact OE1-O 2.74Å
60A83Confident89Confident4 Ų422.7 Ų22.73%0.03313%0.128CC..  trans-155.9146.9175.200000111.7I42 K66 S196 A197I42-A60 HydrophobicContact CB-CB 3.99Å; I42-A60 HydrophobicContact CD1-CB 3.98Å; I42-A60 HydrophobicContact CG1-CB 3.69Å; I42-A60 HydrophobicContact CG2-CB 4.28Å; A60-K66 HydrophobicContact CB-CD 3.81Å; A60-K66 HydrophobicContact CB-CG 3.63Å; A60-K66 VanDerWaalsContact O-CD 3.3Å; A60-K66 WeakPolarHBondContact O-CD 3.19Å; A60-K66 VanDerWaalsContact O-CE 3.23Å; A60-K66 WeakPolarHBondContact O-CE 3.5Å; A60-K66 PolarHBondContact O-NZ 2.99Å; A60-S196 PolarHBondContact N-O 3.15Å; A60-A197 VanDerWaalsContact O-CA 3.26Å; A60-A197 WeakPolarHBondContact O-CA 3.38Å
61Q74.8Confident89.1Confident39 Ų3922.7 Ų22.718%0.18213%0.128CC..  trans-62.8159.5178.9-64.3171.2-37.400111.9T64 K66 L219 E223 L224 T225 L226Q61-T64 HydrophobicContact CB-CG2 3.77Å; Q61-T64 WeakPolarHBondContact O-CG2 3.27Å; Q61-T64 PolarHBondContact O-N 3.37Å; Q61-T64 PolarHBondContact O-OG1 3.39Å; Q61-K66 WeakPolarHBondContact O-CE 3.25Å; Q61-L219 HydrophobicContact CG-CD1 4.35Å; Q61-E223 PolarHBondContact NE2-O 3.17Å; Q61-L224 PolarHBondContact NE2-O 3.12Å; Q61-T225 VanDerWaalsContact NE2-C 3.27Å; Q61-T225 PolarHBondContact NE2-O 2.98Å; Q61-L226 HydrophobicContact CB-CD2 3.93Å; Q61-L226 HydrophobicContact CG-CD2 4.16Å
62S68.5Low89.2Confident11 Ų1121 Ų218%0.07712%0.119CC..THydrogen-bonded Turntrans-58.7141.1172.1-68.80000111.2T64S62-T64 VanDerWaalsContact C-N 3.3Å; S62-T64 PolarHBondContact O-N 2.94Å
63G70.2Confident89.3Confident16 Ų1615.9 Ų15.917%0.16510%0.095CC..THydrogen-bonded Turntrans75.38.317800000116.2
64T75.4Confident89.5Confident39 Ų3914.2 Ų14.224%0.2398%0.078CC..SBendtrans-90.78.1179.3580000114.2S40 I42 Q61 S62S40-T64 VanDerWaalsContact CB-O 3.24Å; S40-T64 WeakPolarHBondContact CB-O 3.11Å; S40-T64 PolarHBondContact OG-O 2.88Å; I42-T64 VanDerWaalsContact CG2-O 3.24Å; I42-T64 WeakPolarHBondContact CG2-O 3.39Å; Q61-T64 HydrophobicContact CB-CG2 3.77Å; Q61-T64 WeakPolarHBondContact O-CG2 3.27Å; Q61-T64 PolarHBondContact O-N 3.37Å; Q61-T64 PolarHBondContact O-OG1 3.39Å; S62-T64 VanDerWaalsContact C-N 3.3Å; S62-T64 PolarHBondContact O-N 2.94Å
65G83.6Confident89.7Confident11 Ų119.8 Ų9.811%0.1136%0.061CC..SBendtrans90.420.1179.600000115.4Q43 T67 A68 T69Q43-G65 PolarHBondContact NE2-O 3.48Å; G65-T67 PolarHBondContact O-N 2.83Å; G65-A68 PolarHBondContact O-N 3.37Å; G65-T69 PolarHBondContact O-N 3.15Å; G65-T69 PolarHBondContact O-OG1 3.49Å
66K89.5Confident89.8Confident9 Ų910.3 Ų10.34%0.0396%0.063CC..Hα-helixtrans-51.7-51172.5-75-174.2-70.5-1650112.9A60 Q61 A68 T69 F70 L195A60-K66 HydrophobicContact CB-CD 3.81Å; A60-K66 HydrophobicContact CB-CG 3.63Å; A60-K66 VanDerWaalsContact O-CD 3.3Å; A60-K66 WeakPolarHBondContact O-CD 3.19Å; A60-K66 VanDerWaalsContact O-CE 3.23Å; A60-K66 WeakPolarHBondContact O-CE 3.5Å; A60-K66 PolarHBondContact O-NZ 2.99Å; Q61-K66 WeakPolarHBondContact O-CE 3.25Å; K66-A68 PolarHBondContact O-N 2.93Å; K66-T69 WeakPolarHBondContact O-CB 3.41Å; K66-T69 PolarHBondContact O-N 3.33Å; K66-F70 VanDerWaalsContact O-CD1 3.25Å; K66-F70 WeakPolarHBondContact O-CD1 3.43Å; K66-F70 PolarHBondContact O-N 3.37Å; K66-L195 HydrophobicContact CB-CD2 3.92Å; K66-L195 HydrophobicContact CD-CB 4.41Å; K66-L195 HydrophobicContact CG-CD2 4.2Å
67T92.7Very high89.8Confident26 Ų2613.2 Ų13.216%0.168%0.077CC..Hα-helixtrans-57.2-52-179.9-51.30000111.5G65 T69 F70 S71 I100 V103G65-T67 PolarHBondContact O-N 2.83Å; T67-T69 VanDerWaalsContact C-N 3.26Å; T67-T69 PolarHBondContact O-N 3.32Å; T67-F70 VanDerWaalsContact CA-CE1 3.42Å; T67-F70 HydrophobicContact CG2-CE1 4.31Å; T67-F70 HydrophobicContact CG2-CZ 3.88Å; T67-F70 PolarHBondContact O-N 3.18Å; T67-S71 WeakPolarHBondContact O-CB 3.45Å; T67-S71 PolarHBondContact O-N 2.97Å; T67-S71 PolarHBondContact O-OG 3.28Å; T67-I100 HydrophobicContact CG2-CB 4.38Å; T67-I100 HydrophobicContact CG2-CG1 3.89Å; T67-V103 HydrophobicContact CG2-CB 4.07Å; T67-V103 HydrophobicContact CG2-CG1 4.08Å; T67-V103 HydrophobicContact CG2-CG2 4.12Å
68A94.3Very high89.8Confident5 Ų513.5 Ų13.54%0.0418%0.078CC..Hα-helixtrans-58.4-36.4175.800000112.9F36 G65 K66 F70 S71 I72 L107F36-A68 HydrophobicContact CE2-CB 3.5Å; F36-A68 HydrophobicContact CZ-CB 3.79Å; G65-A68 PolarHBondContact O-N 3.37Å; K66-A68 PolarHBondContact O-N 2.93Å; A68-F70 PolarHBondContact O-N 3.38Å; A68-S71 PolarHBondContact O-N 3.44Å; A68-I72 WeakPolarHBondContact O-CB 3.24Å; A68-I72 WeakPolarHBondContact O-CD1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.21Å; A68-I72 PolarHBondContact O-N 2.9Å; A68-L107 HydrophobicContact CB-CD1 4.43Å
69T95.6Very high90Very high2 Ų216.1 Ų16.11%0.01210%0.096CC..Hα-helixtrans-56.4-54.3179.2-58.20000111.6Q43 A46 I47 G65 K66 T67 A73Q43-T69 WeakPolarHBondContact CG-OG1 3.24Å; A46-T69 HydrophobicContact CB-CG2 3.51Å; I47-T69 HydrophobicContact CG1-CG2 4.01Å; G65-T69 PolarHBondContact O-N 3.15Å; G65-T69 PolarHBondContact O-OG1 3.49Å; K66-T69 WeakPolarHBondContact O-CB 3.41Å; K66-T69 PolarHBondContact O-N 3.33Å; T67-T69 VanDerWaalsContact C-N 3.26Å; T67-T69 PolarHBondContact O-N 3.32Å; T69-A73 PolarHBondContact O-N 3.38Å
70F96.7Very high90.2Very high0 Ų018.1 Ų18.10%011%0.109CC..Hα-helixtrans-78-29.9-179.569.3-107.7000112.5K66 T67 A68 I72 A73 I74 V89 I100 V163 D165 I193 L195K66-F70 VanDerWaalsContact O-CD1 3.25Å; K66-F70 WeakPolarHBondContact O-CD1 3.43Å; K66-F70 PolarHBondContact O-N 3.37Å; T67-F70 VanDerWaalsContact CA-CE1 3.42Å; T67-F70 HydrophobicContact CG2-CE1 4.31Å; T67-F70 HydrophobicContact CG2-CZ 3.88Å; T67-F70 PolarHBondContact O-N 3.18Å; A68-F70 PolarHBondContact O-N 3.38Å; F70-I72 VanDerWaalsContact C-N 3.34Å; F70-I72 PolarHBondContact O-N 3.39Å; F70-A73 PolarHBondContact O-N 2.83Å; F70-I74 HydrophobicContact CD2-CD1 3.96Å; F70-I74 WeakPolarHBondContact O-CB 3.34Å; F70-I74 VanDerWaalsContact O-CG1 3.27Å; F70-I74 WeakPolarHBondContact O-CG1 3.35Å; F70-I74 PolarHBondContact O-N 3.45Å; F70-V89 HydrophobicContact CE2-CG1 3.86Å; F70-V89 HydrophobicContact CE2-CG2 4.27Å; F70-V89 HydrophobicContact CZ-CG1 4.1Å; F70-I100 HydrophobicContact CE2-CG2 3.7Å; F70-I100 HydrophobicContact CZ-CD1 4Å; F70-I100 HydrophobicContact CZ-CG1 3.99Å; F70-I100 HydrophobicContact CZ-CG2 3.86Å; F70-V163 HydrophobicContact CB-CG1 4.04Å; F70-V163 HydrophobicContact CB-CG2 4.43Å; F70-V163 HydrophobicContact CD1-CG1 4.06Å; F70-V163 HydrophobicContact CD2-CG1 3.95Å; F70-V163 HydrophobicContact CE1-CG1 4.42Å; F70-V163 HydrophobicContact CE2-CG1 4.4Å; F70-V163 HydrophobicContact CG-CG1 3.78Å; F70-D165 HydrophobicContact CE1-CB 3.94Å; F70-D165 WeakPolarHBondContact CE1-OD2 3.48Å; F70-D165 HydrophobicContact CZ-CB 4.2Å; F70-I193 HydrophobicContact CB-CG2 4.43Å; F70-L195 HydrophobicContact CB-CD1 4Å; F70-L195 HydrophobicContact CD1-CD1 3.49Å; F70-L195 VanDerWaalsContact CD1-CD1 3.49Å; F70-L195 HydrophobicContact CD1-CD2 3.97Å; F70-L195 HydrophobicContact CD1-CG 4.34Å; F70-L195 HydrophobicContact CE1-CD1 4.26Å; F70-L195 HydrophobicContact CG-CD1 4.08Å
71S97.6Very high90.8Very high0 Ų025 Ų250%015%0.145CC..Hα-helixtrans-60.2-45.5174.1-62.90000111T67 A68 A73 I74 L75 V104T67-S71 WeakPolarHBondContact O-CB 3.45Å; T67-S71 PolarHBondContact O-N 2.97Å; T67-S71 PolarHBondContact O-OG 3.28Å; A68-S71 PolarHBondContact O-N 3.44Å; S71-A73 VanDerWaalsContact C-N 3.35Å; S71-A73 PolarHBondContact O-N 2.79Å; S71-I74 PolarHBondContact O-N 2.84Å; S71-L75 WeakPolarHBondContact O-CB 3.24Å; S71-L75 VanDerWaalsContact O-CG 3.24Å; S71-L75 WeakPolarHBondContact O-CG 3.19Å; S71-L75 PolarHBondContact O-N 2.64Å; S71-V104 VanDerWaalsContact OG-CG2 3.32Å; S71-V104 WeakPolarHBondContact OG-CG2 3.46Å
72I97.9Very high91.8Very high0 Ų024.3 Ų24.30%014%0.143CC..Hα-helixtrans-60.8-45.5174.3-68.5167.2000110.2F18 L23 L27 I31 I47 A68 F70 I74 L75 Q76 L107F18-I72 HydrophobicContact CD1-CD1 4.44Å; F18-I72 HydrophobicContact CE1-CD1 3.82Å; L23-I72 HydrophobicContact CD1-CG2 3.95Å; L23-I72 HydrophobicContact CD2-CG2 4.03Å; L27-I72 HydrophobicContact CD2-CG2 4.14Å; I31-I72 HydrophobicContact CD1-CD1 3.71Å; I31-I72 HydrophobicContact CD1-CG1 3.83Å; I31-I72 HydrophobicContact CD1-CG2 4.18Å; I31-I72 HydrophobicContact CG1-CD1 3.99Å; I31-I72 HydrophobicContact CG1-CG1 4.05Å; I47-I72 HydrophobicContact CD1-CD1 3.89Å; I47-I72 HydrophobicContact CD1-CG2 4.31Å; I47-I72 HydrophobicContact CG2-CG2 3.99Å; A68-I72 WeakPolarHBondContact O-CB 3.24Å; A68-I72 WeakPolarHBondContact O-CD1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.21Å; A68-I72 PolarHBondContact O-N 2.9Å; F70-I72 VanDerWaalsContact C-N 3.34Å; F70-I72 PolarHBondContact O-N 3.39Å; I72-I74 PolarHBondContact O-N 2.8Å; I72-L75 PolarHBondContact O-N 2.64Å; I72-Q76 VanDerWaalsContact O-CB 3.3Å; I72-Q76 WeakPolarHBondContact O-CB 3.27Å; I72-Q76 PolarHBondContact O-N 3.47Å; I72-L107 HydrophobicContact CG1-CD1 4.14Å
73A97.4Very high93Very high0 Ų027.4 Ų27.40%016%0.163CC..Hα-helixtrans-61.7-41179.500000113.3S50 I51 T69 F70 S71 Q77 I193S50-A73 VanDerWaalsContact CB-CB 3.41Å; I51-A73 HydrophobicContact CG2-CB 4.35Å; T69-A73 PolarHBondContact O-N 3.38Å; F70-A73 PolarHBondContact O-N 2.83Å; S71-A73 VanDerWaalsContact C-N 3.35Å; S71-A73 PolarHBondContact O-N 2.79Å; A73-Q77 WeakPolarHBondContact O-CG 3.45Å; A73-Q77 PolarHBondContact O-N 2.76Å; A73-Q77 PolarHBondContact O-NE2 3.29Å; A73-Q77 VanDerWaalsContact O-NE2 3.17Å; A73-I193 HydrophobicContact CB-CD1 4.15Å
74I98Very high94.3Very high1 Ų133.3 Ų33.31%0.00518%0.18CC..Hα-helixtrans-63.9-53.9175.7-73.1169.1000110.1F70 S71 I72 Q76 Q77 I78 A87 V89 I137 V163F70-I74 HydrophobicContact CD2-CD1 3.96Å; F70-I74 WeakPolarHBondContact O-CB 3.34Å; F70-I74 VanDerWaalsContact O-CG1 3.27Å; F70-I74 WeakPolarHBondContact O-CG1 3.35Å; F70-I74 PolarHBondContact O-N 3.45Å; S71-I74 PolarHBondContact O-N 2.84Å; I72-I74 PolarHBondContact O-N 2.8Å; I74-Q76 VanDerWaalsContact C-N 3.26Å; I74-Q76 PolarHBondContact O-N 3.46Å; I74-Q77 PolarHBondContact O-N 3.09Å; I74-I78 HydrophobicContact CG2-CD1 3.5Å; I74-I78 VanDerWaalsContact CG2-CD1 3.5Å; I74-I78 HydrophobicContact CG2-CG1 4.2Å; I74-I78 WeakPolarHBondContact O-CG1 3.42Å; I74-I78 PolarHBondContact O-N 2.83Å; I74-A87 HydrophobicContact CB-CB 4.39Å; I74-A87 HydrophobicContact CD1-CB 4.25Å; I74-A87 HydrophobicContact CG1-CB 4.09Å; I74-A87 HydrophobicContact CG2-CB 3.47Å; I74-A87 VanDerWaalsContact CG2-CB 3.47Å; I74-V89 HydrophobicContact CD1-CG2 3.46Å; I74-V89 VanDerWaalsContact CD1-CG2 3.46Å; I74-I137 HydrophobicContact CG2-CD1 3.79Å; I74-I137 HydrophobicContact CG2-CG1 4.04Å; I74-V163 HydrophobicContact CD1-CG2 3.83Å; I74-V163 HydrophobicContact CG1-CG2 4.24Å
75L98.3Very high95.4Very high0 Ų032 Ų320%017%0.172CC..Hα-helixtrans-60.5-38.1-176.8-70.5168.3000111.5K24 L27 S71 I72 Q77 I78 V104 L107 M111 I113 I137K24-L75 PolarHBondContact NZ-O 3.28Å; L27-L75 HydrophobicContact CD1-CB 3.69Å; L27-L75 HydrophobicContact CD1-CD1 3.64Å; L27-L75 HydrophobicContact CD1-CG 4.31Å; L27-L75 HydrophobicContact CD2-CB 3.98Å; L27-L75 HydrophobicContact CG-CB 4.43Å; S71-L75 WeakPolarHBondContact O-CB 3.24Å; S71-L75 VanDerWaalsContact O-CG 3.24Å; S71-L75 WeakPolarHBondContact O-CG 3.19Å; S71-L75 PolarHBondContact O-N 2.64Å; I72-L75 PolarHBondContact O-N 2.64Å; L75-Q77 PolarHBondContact O-N 2.78Å; L75-I78 PolarHBondContact O-N 3.33Å; L75-V104 HydrophobicContact CD2-CG1 4.42Å; L75-L107 HydrophobicContact CD1-CB 3.64Å; L75-M111 HydrophobicContact CB-CE 4.45Å; L75-M111 HydrophobicContact CB-SD 4.04Å; L75-M111 HydrophobicContact CD2-SD 4.28Å; L75-M111 VanDerWaalsContact O-CE 3.28Å; L75-M111 WeakPolarHBondContact O-CE 3.49Å; L75-I113 HydrophobicContact CD2-CD1 4.46Å; L75-I113 HydrophobicContact CD2-CG1 3.91Å; L75-I113 HydrophobicContact CD2-CG2 4.29Å; L75-I137 HydrophobicContact CD2-CD1 4.12Å
76Q98Very high96.1Very high35 Ų3531.7 Ų31.716%0.16417%0.168CC..Hα-helixtrans-60.9-34176.2-177.460.112.700112.4N22 L23 K24 L27 I51 I72 I74N22-Q76 PolarHBondContact O-NE2 2.93Å; L23-Q76 HydrophobicContact CD2-CB 4.42Å; L23-Q76 HydrophobicContact CD2-CG 4.17Å; K24-Q76 WeakPolarHBondContact CE-O 3.49Å; K24-Q76 PolarHBondContact NZ-O 2.92Å; L27-Q76 HydrophobicContact CD2-CB 3.86Å; I51-Q76 HydrophobicContact CB-CB 4.47Å; I51-Q76 HydrophobicContact CB-CG 3.93Å; I51-Q76 HydrophobicContact CG2-CB 3.73Å; I51-Q76 HydrophobicContact CG2-CG 3.65Å; I72-Q76 VanDerWaalsContact O-CB 3.3Å; I72-Q76 WeakPolarHBondContact O-CB 3.27Å; I72-Q76 PolarHBondContact O-N 3.47Å; I74-Q76 VanDerWaalsContact C-N 3.26Å; I74-Q76 PolarHBondContact O-N 3.46Å
77Q96.3Very high96.5Very high61 Ų6131.4 Ų31.429%0.28517%0.167SC..Hα-helixtrans-92.2-17.6-175.8-68.3-178.278.900114.5S50 A73 I74 L75 Q191S50-Q77 PolarHBondContact O-NE2 3.07Å; S50-Q77 VanDerWaalsContact O-NE2 3.14Å; A73-Q77 WeakPolarHBondContact O-CG 3.45Å; A73-Q77 PolarHBondContact O-N 2.76Å; A73-Q77 PolarHBondContact O-NE2 3.29Å; A73-Q77 VanDerWaalsContact O-NE2 3.17Å; I74-Q77 PolarHBondContact O-N 3.09Å; L75-Q77 PolarHBondContact O-N 2.78Å; Q77-Q191 VanDerWaalsContact OE1-OE1 3.13Å
78I96Very high96.8Very high6 Ų630.1 Ų30.13%0.03116%0.159CC..  trans-66.9137.3-177.6-79.7169.8000112.6K24 I74 L75 Q86 I113 Q136 I137K24-I78 PolarHBondContact NZ-O 2.91Å; I74-I78 HydrophobicContact CG2-CD1 3.5Å; I74-I78 VanDerWaalsContact CG2-CD1 3.5Å; I74-I78 HydrophobicContact CG2-CG1 4.2Å; I74-I78 WeakPolarHBondContact O-CG1 3.42Å; I74-I78 PolarHBondContact O-N 2.83Å; L75-I78 PolarHBondContact O-N 3.33Å; I78-Q86 HydrophobicContact CG1-CB 4.3Å; I78-I113 HydrophobicContact CG2-CG2 4.4Å; I78-Q136 HydrophobicContact CG2-CB 4.47Å; I78-I137 HydrophobicContact CD1-CD1 3.36Å; I78-I137 HydrophobicContact CD1-CG1 3.25Å
79C96.1Very high97Very high57 Ų5729.9 Ų29.939%0.38516%0.157SC..  trans-88.2105.4165-179.40000109.4N81 D82 Q86 Q136C79-N81 PolarHBondContact O-N 3.4Å; C79-D82 HydrophobicContact CB-CB 4.3Å; C79-D82 PolarHBondContact O-N 2.71Å; C79-D82 VanDerWaalsContact O-N 3.12Å; C79-Q86 PolarHBondContact O-NE2 3.4Å; C79-Q136 PolarHBondContact O-NE2 3.34Å
80T94.4Very high97.1Very high59 Ų5929.8 Ų29.836%0.36216%0.157SC..THydrogen-bonded Turntrans-63.3-24-175.252.10000113.6D82 M111 I113 Q136T80-D82 VanDerWaalsContact C-N 3.34Å; T80-M111 HydrophobicContact CG2-CB 4.29Å; T80-M111 HydrophobicContact CG2-CE 4.14Å; T80-M111 WeakPolarHBondContact CG2-O 3.47Å; T80-I113 HydrophobicContact CG2-CG2 4.13Å; T80-Q136 VanDerWaalsContact C-NE2 3.28Å; T80-Q136 VanDerWaalsContact CA-NE2 3.33Å; T80-Q136 PolarHBondContact O-NE2 3.37Å
81N94.8Very high97Very high147 Ų14729.8 Ų29.879%0.78616%0.157SC*.THydrogen-bonded Turntrans-84.8-5.8179.5-62.4-20.9000113.8C79C79-N81 PolarHBondContact O-N 3.4Å
82D95.9Very high96.7Very high26 Ų2630.1 Ų30.114%0.13916%0.159CC..  trans-104.9113177.1-174.9-7.9000108.8C79 T80 R84 Q86 Q136C79-D82 HydrophobicContact CB-CB 4.3Å; C79-D82 PolarHBondContact O-N 2.71Å; C79-D82 VanDerWaalsContact O-N 3.12Å; T80-D82 VanDerWaalsContact C-N 3.34Å; D82-R84 PolarHBondContact O-N 3.47Å; D82-R84 VanDerWaalsContact OD1-CB 3.32Å; D82-R84 WeakPolarHBondContact OD1-CB 3.41Å; D82-R84 WeakPolarHBondContact OD1-CG 3.29Å; D82-R84 IonicContact OD1-CZ 2.85Å; D82-R84 PolarHBondContact OD1-N 3.2Å; D82-R84 VanDerWaalsContact OD1-N 3.09Å; D82-R84 IonicContact OD1-NE 2.79Å; D82-R84 PolarHBondContact OD1-NE 3.5Å; D82-R84 IonicContact OD1-NH2 3.69Å; D82-R84 IonicContact OD2-CZ 3.15Å; D82-R84 IonicContact OD2-NE 2.71Å; D82-R84 PolarHBondContact OD2-NE 3.37Å; D82-R84 IonicContact OD2-NH2 2.7Å; D82-R84 PolarHBondContact OD2-NH2 3.25Å; D82-Q86 PolarHBondContact O-NE2 2.97Å; D82-Q136 VanDerWaalsContact O-CG 3.3Å; D82-Q136 WeakPolarHBondContact O-CG 3.5Å; D82-Q136 PolarHBondContact O-NE2 2.95Å
83P95.1Very high96.4Very high76 Ų7630.3 Ų30.349%0.49416%0.16SC..  trans-76.6-7.3-176.532.1-36.3000113.3G134 Q135P83-G134 CarbonylContact O-C 3.6Å; P83-G134 WeakPolarHBondContact O-CA 3.26Å; P83-Q135 PolarHBondContact O-N 3.3Å
84R96.7Very high96.1Very high140 Ų14033.1 Ų33.153%0.52817%0.17SC..SBendtrans-73.4156-178.6-60.2173.3-63.8171.92.6111.1D82 Q86 T158D82-R84 PolarHBondContact O-N 3.47Å; D82-R84 VanDerWaalsContact OD1-CB 3.32Å; D82-R84 WeakPolarHBondContact OD1-CB 3.41Å; D82-R84 WeakPolarHBondContact OD1-CG 3.29Å; D82-R84 IonicContact OD1-CZ 2.85Å; D82-R84 PolarHBondContact OD1-N 3.2Å; D82-R84 VanDerWaalsContact OD1-N 3.09Å; D82-R84 IonicContact OD1-NE 2.79Å; D82-R84 PolarHBondContact OD1-NE 3.5Å; D82-R84 IonicContact OD1-NH2 3.69Å; D82-R84 IonicContact OD2-CZ 3.15Å; D82-R84 IonicContact OD2-NE 2.71Å; D82-R84 PolarHBondContact OD2-NE 3.37Å; D82-R84 IonicContact OD2-NH2 2.7Å; D82-R84 PolarHBondContact OD2-NH2 3.25Å; R84-Q86 WeakPolarHBondContact O-CG 3.34Å; R84-Q86 PolarHBondContact O-N 3.06Å; R84-T158 HydrophobicContact CB-CG2 4.13Å
85C98Very high95.7Very high11 Ų1133.3 Ų33.37%0.07417%0.171CC..  trans-64.6120.7178-173.80000111.7A87 Q135 L154 T158 I159C85-A87 PolarHBondContact SG-O 2.85Å; C85-Q135 WeakPolarHBondContact CA-O 3.28Å; C85-Q135 VanDerWaalsContact CB-O 3.28Å; C85-Q135 WeakPolarHBondContact CB-O 3.01Å; C85-Q135 PolarHBondContact N-O 3.11Å; C85-L154 HydrophobicContact CB-CD1 4.07Å; C85-T158 CarbonylContact O-C 3.6Å; C85-T158 VanDerWaalsContact O-CB 3.29Å; C85-T158 WeakPolarHBondContact O-CB 3.26Å; C85-T158 PolarHBondContact O-OG1 3.22Å; C85-I159 HydrophobicContact CB-CG1 4.47Å; C85-I159 PolarHBondContact O-N 3.11Å
86Q98.1Very high95.3Very high5 Ų533.3 Ų33.32%0.02317%0.172CC..  trans-114.8-22.4-176.7-71.8172.275.700112.2I78 C79 D82 R84 Q136 I159 K160 C161I78-Q86 HydrophobicContact CG1-CB 4.3Å; C79-Q86 PolarHBondContact O-NE2 3.4Å; D82-Q86 PolarHBondContact O-NE2 2.97Å; R84-Q86 WeakPolarHBondContact O-CG 3.34Å; R84-Q86 PolarHBondContact O-N 3.06Å; Q86-Q136 PolarHBondContact N-O 2.91Å; Q86-I159 WeakPolarHBondContact O-CA 3.32Å; Q86-K160 PolarHBondContact O-N 2.85Å; Q86-C161 PolarHBondContact O-N 3.36Å
87A98.5Very high95.2Very high2 Ų231.7 Ų31.72%0.01716%0.164CC..EExtended strand (participates in β ladder)trans-136.2137.6176.900000111.9I74 C85 Q136 I137 V138 C161I74-A87 HydrophobicContact CB-CB 4.39Å; I74-A87 HydrophobicContact CD1-CB 4.25Å; I74-A87 HydrophobicContact CG1-CB 4.09Å; I74-A87 HydrophobicContact CG2-CB 3.47Å; I74-A87 VanDerWaalsContact CG2-CB 3.47Å; C85-A87 PolarHBondContact SG-O 2.85Å; A87-Q136 PolarHBondContact N-O 3.38Å; A87-I137 HydrophobicContact CB-CG1 4.47Å; A87-I137 WeakPolarHBondContact O-CA 3.25Å; A87-V138 PolarHBondContact O-N 3.5Å; A87-C161 VanDerWaalsContact CA-O 3.29Å; A87-C161 WeakPolarHBondContact CA-O 3.23Å; A87-C161 HydrophobicContact CB-CB 4.28Å
88L98.6Very high95Very high0 Ų031.2 Ų31.20%016%0.161CC..EExtended strand (participates in β ladder)trans-121.9127.5175.4174.863.7000109.9L90 V138 V145 L154 I159 C161 F162 V163 I182 L186L88-L90 HydrophobicContact CD1-CD2 4.23Å; L88-L90 HydrophobicContact CG-CD2 4.28Å; L88-V138 CarbonylContact C-O 3.52Å; L88-V138 WeakPolarHBondContact CA-O 3.41Å; L88-V138 HydrophobicContact CD1-CB 4.04Å; L88-V138 HydrophobicContact CD1-CG1 3.93Å; L88-V145 HydrophobicContact CD1-CG1 3.81Å; L88-V145 HydrophobicContact CD1-CG2 4.3Å; L88-V145 HydrophobicContact CD2-CG1 4Å; L88-V145 HydrophobicContact CG-CG1 4.5Å; L88-L154 HydrophobicContact CD1-CD2 4.36Å; L88-I159 HydrophobicContact CB-CD1 3.98Å; L88-I159 HydrophobicContact CB-CG2 4.25Å; L88-I159 HydrophobicContact CD2-CD1 4.29Å; L88-C161 PolarHBondContact N-O 3.07Å; L88-F162 HydrophobicContact CB-CD2 4.06Å; L88-F162 HydrophobicContact CD2-CD2 3.87Å; L88-F162 HydrophobicContact CD2-CE2 3.74Å; L88-F162 HydrophobicContact CG-CD2 3.93Å; L88-F162 HydrophobicContact CG-CE2 4Å; L88-F162 CarbonylContact O-C 3.5Å; L88-F162 WeakPolarHBondContact O-CA 3.49Å; L88-V163 PolarHBondContact O-N 3.37Å; L88-I182 HydrophobicContact CD2-CG2 3.74Å; L88-L186 HydrophobicContact CD2-CD2 4.42Å
89V98.5Very high94.8Very high0 Ų031.5 Ų31.50%016%0.162CC..EExtended strand (participates in β ladder)trans-118.6124177.2-173.30000109.5F70 I74 I100 V138 V139 G140 V163F70-V89 HydrophobicContact CE2-CG1 3.86Å; F70-V89 HydrophobicContact CE2-CG2 4.27Å; F70-V89 HydrophobicContact CZ-CG1 4.1Å; I74-V89 HydrophobicContact CD1-CG2 3.46Å; I74-V89 VanDerWaalsContact CD1-CG2 3.46Å; V89-I100 HydrophobicContact CG1-CD1 4.14Å; V89-I100 HydrophobicContact CG1-CG2 4.19Å; V89-V138 PolarHBondContact N-O 3.22Å; V89-V139 HydrophobicContact CB-CB 4.43Å; V89-V139 HydrophobicContact CB-CG1 4.18Å; V89-V139 HydrophobicContact CB-CG2 4.14Å; V89-V139 HydrophobicContact CG1-CG1 4.4Å; V89-V139 HydrophobicContact CG2-CG2 4.3Å; V89-V139 CarbonylContact O-C 3.2Å; V89-V139 WeakPolarHBondContact O-CA 3.36Å; V89-G140 PolarHBondContact O-N 3.49Å; V89-V163 WeakPolarHBondContact CA-O 3.48Å; V89-V163 HydrophobicContact CB-CB 4.32Å; V89-V163 HydrophobicContact CG1-CB 4.05Å; V89-V163 HydrophobicContact CG1-CG1 4.15Å; V89-V163 HydrophobicContact CG2-CB 4.06Å; V89-V163 HydrophobicContact CG2-CG2 4.31Å
90L97.9Very high94.8Very high0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-99.6139171-54.6-173.2000110.6L88 G140 P142 V145 F162 V163 L164 D165 M170 I179 I182L88-L90 HydrophobicContact CD1-CD2 4.23Å; L88-L90 HydrophobicContact CG-CD2 4.28Å; L90-G140 WeakPolarHBondContact CA-O 3.33Å; L90-P142 HydrophobicContact CB-CG 4.48Å; L90-P142 HydrophobicContact CD1-CG 4.29Å; L90-V145 HydrophobicContact CD2-CB 4.05Å; L90-V145 HydrophobicContact CD2-CG1 3.96Å; L90-V145 HydrophobicContact CD2-CG2 3.85Å; L90-F162 HydrophobicContact CD1-CE2 3.73Å; L90-F162 HydrophobicContact CD1-CZ 3.57Å; L90-F162 HydrophobicContact CD2-CE2 4.44Å; L90-F162 HydrophobicContact CG-CE2 3.7Å; L90-F162 HydrophobicContact CG-CZ 4.04Å; L90-V163 PolarHBondContact N-O 3.45Å; L90-L164 HydrophobicContact CB-CD2 4Å; L90-L164 HydrophobicContact CD1-CD2 3.79Å; L90-L164 HydrophobicContact CG-CD2 4.16Å; L90-D165 PolarHBondContact O-N 2.8Å; L90-M170 HydrophobicContact CB-CE 4.26Å; L90-M170 HydrophobicContact CB-SD 3.77Å; L90-I179 HydrophobicContact CD1-CG1 4.08Å; L90-I182 HydrophobicContact CD1-CD1 3.75Å; L90-I182 HydrophobicContact CD1-CG2 4.49Å; L90-I182 HydrophobicContact CD2-CD1 4.16Å
91A95.2Very high94.9Very high0 Ų028.1 Ų28.10%014%0.136CC..  trans-132.9148.917300000110.6T93 L96 A97 I100 G140 T141 P142A91-T93 VanDerWaalsContact C-N 3.34Å; A91-T93 PolarHBondContact O-N 3.18Å; A91-L96 HydrophobicContact CB-CB 4.23Å; A91-L96 HydrophobicContact CB-CD2 4Å; A91-L96 HydrophobicContact CB-CG 3.85Å; A91-A97 HydrophobicContact CB-CB 4.28Å; A91-I100 HydrophobicContact CB-CD1 3.81Å; A91-G140 PolarHBondContact N-O 2.97Å; A91-T141 WeakPolarHBondContact O-CA 3.26Å; A91-P142 WeakPolarHBondContact O-CD 3.06Å
92P92Very high94.9Very high6 Ų625.5 Ų25.54%0.03912%0.121CC..SBendtrans-65.1-33.2-17924.7-37.1000113.9L96 D165 E166 E169 M170 L173P92-L96 HydrophobicContact CG-CD2 4.04Å; P92-D165 VanDerWaalsContact CD-O 3.3Å; P92-D165 WeakPolarHBondContact CD-O 3.48Å; P92-E166 HydrophobicContact CG-CB 3.9Å; P92-E169 HydrophobicContact CB-CB 3.91Å; P92-E169 HydrophobicContact CB-CG 3.5Å; P92-E169 HydrophobicContact CG-CB 3.98Å; P92-E169 HydrophobicContact CG-CG 3.88Å; P92-M170 HydrophobicContact CB-CG 3.83Å; P92-M170 HydrophobicContact CG-CG 4.4Å; P92-L173 HydrophobicContact CB-CD1 3.83Å
93T90.7Very high94.9Very high4 Ų424.8 Ų24.83%0.02512%0.117CC..SBendtrans-123.6155.6-17371.80000112.4A91 E95 L96 A97 L314A91-T93 VanDerWaalsContact C-N 3.34Å; A91-T93 PolarHBondContact O-N 3.18Å; T93-E95 VanDerWaalsContact C-N 3.32Å; T93-L96 PolarHBondContact O-N 2.61Å; T93-L96 VanDerWaalsContact OG1-CB 3.28Å; T93-L96 WeakPolarHBondContact OG1-CB 3.39Å; T93-L96 PolarHBondContact OG1-N 2.98Å; T93-A97 PolarHBondContact O-N 2.84Å; T93-L314 HydrophobicContact CG2-CD1 4.29Å
94R91.6Very high95Very high59 Ų5921.1 Ų21.122%0.2239%0.094CC..Hα-helixtrans-66.4-38.4-179.3-57.4177.3-175.9170.80.5111A97 K98 I119 G120 T141R94-A97 PolarHBondContact O-N 2.95Å; R94-K98 WeakPolarHBondContact O-CG 3.17Å; R94-K98 PolarHBondContact O-N 2.98Å; R94-I119 HydrophobicContact CB-CB 4.17Å; R94-I119 HydrophobicContact CB-CD1 4.02Å; R94-I119 HydrophobicContact CB-CG2 4.18Å; R94-I119 HydrophobicContact CG-CB 4.02Å; R94-I119 HydrophobicContact CG-CG2 4.34Å; R94-G120 VanDerWaalsContact CD-O 3.26Å; R94-G120 WeakPolarHBondContact CD-O 3.47Å; R94-G120 VanDerWaalsContact CZ-C 3.48Å; R94-G120 VanDerWaalsContact CZ-O 3.26Å; R94-G120 PolarHBondContact NE-O 2.81Å; R94-G120 VanDerWaalsContact NE-O 3.08Å; R94-T141 HydrophobicContact CG-CG2 4.03Å
95E89.1Confident95Very high5 Ų517.7 Ų17.72%0.0239%0.085CC..Hα-helixtrans-67.2-41.8179.2-65.667.8-147.700111.3T93 K98 Q99 Q291 R294 M298 I319T93-E95 VanDerWaalsContact C-N 3.32Å; E95-K98 PolarHBondContact O-N 2.86Å; E95-Q99 WeakPolarHBondContact O-CB 3.44Å; E95-Q99 PolarHBondContact O-N 3.13Å; E95-Q291 PolarHBondContact OE1-NE2 3.28Å; E95-R294 IonicContact OE1-CZ 3.66Å; E95-R294 IonicContact OE1-NE 2.63Å; E95-R294 PolarHBondContact OE1-NE 3.22Å; E95-R294 IonicContact OE1-NH2 3.91Å; E95-R294 PolarHBondContact OE1-NH2 3.03Å; E95-R294 IonicContact OE2-CZ 3.23Å; E95-R294 IonicContact OE2-NH2 2.66Å; E95-R294 PolarHBondContact OE2-NH2 3.28Å; E95-M298 HydrophobicContact CG-CG 4.05Å; E95-I319 HydrophobicContact CB-CD1 4.24Å; E95-I319 HydrophobicContact CB-CG1 4.11Å; E95-I319 HydrophobicContact CG-CD1 4.44Å
96L90.5Very high94.9Very high1 Ų119 Ų191%0.00510%0.097CC..Hα-helixtrans-65.8-44.1175178.652.8000111A91 P92 T93 K98 Q99 I100 E166A91-L96 HydrophobicContact CB-CB 4.23Å; A91-L96 HydrophobicContact CB-CD2 4Å; A91-L96 HydrophobicContact CB-CG 3.85Å; P92-L96 HydrophobicContact CG-CD2 4.04Å; T93-L96 PolarHBondContact O-N 2.61Å; T93-L96 VanDerWaalsContact OG1-CB 3.28Å; T93-L96 WeakPolarHBondContact OG1-CB 3.39Å; T93-L96 PolarHBondContact OG1-N 2.98Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.19Å; L96-Q99 WeakPolarHBondContact O-CB 3.42Å; L96-Q99 PolarHBondContact O-N 3.09Å; L96-I100 HydrophobicContact CD1-CD1 4Å; L96-I100 HydrophobicContact CD1-CG1 3.94Å; L96-I100 HydrophobicContact CG-CD1 3.89Å; L96-I100 HydrophobicContact CG-CG1 4.33Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 3.17Å; L96-E166 HydrophobicContact CD2-CG 4.05Å; L96-E166 WeakPolarHBondContact CD2-OE2 3.33Å
97A94.5Very high94.9Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-56.6-46.117600000112.2A91 T93 R94 Q99 I100 Q101 V117 I119 V139A91-A97 HydrophobicContact CB-CB 4.28Å; T93-A97 PolarHBondContact O-N 2.84Å; R94-A97 PolarHBondContact O-N 2.95Å; A97-Q99 VanDerWaalsContact C-N 3.33Å; A97-Q99 PolarHBondContact O-N 3.41Å; A97-I100 PolarHBondContact O-N 2.92Å; A97-Q101 PolarHBondContact O-N 2.85Å; A97-Q101 VanDerWaalsContact O-N 3.08Å; A97-V117 HydrophobicContact CB-CG1 4.15Å; A97-I119 HydrophobicContact CB-CG2 3.69Å; A97-V139 HydrophobicContact CB-CG1 4.03Å; A97-V139 WeakPolarHBondContact O-CG1 3.35Å
98K93.2Very high94.9Very high52 Ų5218.7 Ų18.723%0.22610%0.095CC..Hα-helixtrans-60.6-41.6173.7-72.6-175.3-179.5-169.10112.4R94 E95 L96 Q101 M102 V117 I119 D295R94-K98 WeakPolarHBondContact O-CG 3.17Å; R94-K98 PolarHBondContact O-N 2.98Å; E95-K98 PolarHBondContact O-N 2.86Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.19Å; K98-Q101 PolarHBondContact O-N 2.81Å; K98-M102 WeakPolarHBondContact O-CG 3.36Å; K98-M102 PolarHBondContact O-N 3.25Å; K98-V117 HydrophobicContact CG-CG1 4.13Å; K98-I119 HydrophobicContact CD-CD1 4.29Å; K98-I119 HydrophobicContact CG-CD1 4.21Å; K98-D295 IonicContact NZ-OD1 3.96Å; K98-D295 PolarHBondContact NZ-OD1 3.42Å; K98-D295 IonicContact NZ-OD2 3.47Å; K98-D295 PolarHBondContact NZ-OD2 2.88Å
99Q91.4Very high94.8Very high12 Ų1224 Ų246%0.05612%0.124CC..Hα-helixtrans-64.4-42178.2-172.6-179-58.300112.7E95 L96 A97 Q101 M102 V103 G318 D320E95-Q99 WeakPolarHBondContact O-CB 3.44Å; E95-Q99 PolarHBondContact O-N 3.13Å; L96-Q99 WeakPolarHBondContact O-CB 3.42Å; L96-Q99 PolarHBondContact O-N 3.09Å; A97-Q99 VanDerWaalsContact C-N 3.33Å; A97-Q99 PolarHBondContact O-N 3.41Å; Q99-Q101 VanDerWaalsContact C-N 3.33Å; Q99-Q101 PolarHBondContact O-N 3.06Å; Q99-M102 HydrophobicContact CB-CE 4.23Å; Q99-M102 HydrophobicContact CG-CE 4.34Å; Q99-M102 PolarHBondContact O-N 3.27Å; Q99-V103 WeakPolarHBondContact O-CG2 3.36Å; Q99-V103 PolarHBondContact O-N 2.85Å; Q99-G318 PolarHBondContact NE2-O 3.19Å; Q99-G318 PolarHBondContact OE1-O 2.85Å; Q99-G318 VanDerWaalsContact OE1-O 3.11Å; Q99-D320 VanDerWaalsContact CD-CB 3.48Å; Q99-D320 VanDerWaalsContact NE2-CB 3.32Å
100I95.3Very high94.7Very high0 Ų027.8 Ų27.80%014%0.138CC..Hα-helixtrans-60.5-45.4175.2-67.3165.7000110.1T67 F70 V89 A91 L96 A97 M102 V103 V104 V139 D165T67-I100 HydrophobicContact CG2-CB 4.38Å; T67-I100 HydrophobicContact CG2-CG1 3.89Å; F70-I100 HydrophobicContact CE2-CG2 3.7Å; F70-I100 HydrophobicContact CZ-CD1 4Å; F70-I100 HydrophobicContact CZ-CG1 3.99Å; F70-I100 HydrophobicContact CZ-CG2 3.86Å; V89-I100 HydrophobicContact CG1-CD1 4.14Å; V89-I100 HydrophobicContact CG1-CG2 4.19Å; A91-I100 HydrophobicContact CB-CD1 3.81Å; L96-I100 HydrophobicContact CD1-CD1 4Å; L96-I100 HydrophobicContact CD1-CG1 3.94Å; L96-I100 HydrophobicContact CG-CD1 3.89Å; L96-I100 HydrophobicContact CG-CG1 4.33Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 3.17Å; A97-I100 PolarHBondContact O-N 2.92Å; I100-M102 VanDerWaalsContact C-N 3.33Å; I100-M102 PolarHBondContact O-N 3.15Å; I100-V103 PolarHBondContact O-N 2.82Å; I100-V104 HydrophobicContact CG2-CG2 4.17Å; I100-V104 WeakPolarHBondContact O-CB 3.08Å; I100-V104 VanDerWaalsContact O-CG2 3.3Å; I100-V104 WeakPolarHBondContact O-CG2 3.28Å; I100-V104 PolarHBondContact O-N 3.01Å; I100-V139 HydrophobicContact CB-CG1 3.85Å; I100-V139 HydrophobicContact CD1-CG1 4.31Å; I100-V139 HydrophobicContact CG2-CG1 3.76Å; I100-V139 HydrophobicContact CG2-CG2 3.94Å; I100-D165 HydrophobicContact CD1-CB 4.17Å
101Q97Very high94.6Very high44 Ų4428.4 Ų28.421%0.20614%0.142CC..Hα-helixtrans-57.1-46.2175.5179.4-164.84200111.7A97 K98 Q99 V103 V104 L105 C115 V117A97-Q101 PolarHBondContact O-N 2.85Å; A97-Q101 VanDerWaalsContact O-N 3.08Å; K98-Q101 PolarHBondContact O-N 2.81Å; Q99-Q101 VanDerWaalsContact C-N 3.33Å; Q99-Q101 PolarHBondContact O-N 3.06Å; Q101-V103 VanDerWaalsContact C-N 3.32Å; Q101-V103 PolarHBondContact O-N 3.15Å; Q101-V104 PolarHBondContact O-N 2.89Å; Q101-L105 HydrophobicContact CG-CD1 3.81Å; Q101-L105 HydrophobicContact CG-CG 4.17Å; Q101-L105 WeakPolarHBondContact O-CB 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.32Å; Q101-L105 PolarHBondContact O-N 2.82Å; Q101-C115 HydrophobicContact CG-CB 4.39Å; Q101-C115 PolarHBondContact NE2-O 3.35Å; Q101-V117 HydrophobicContact CB-CG2 3.26Å; Q101-V117 HydrophobicContact CG-CG2 3.66Å; Q101-V117 VanDerWaalsContact OE1-CG2 3.23Å
102M94.6Very high94.5Very high92 Ų9235.7 Ų35.745%0.45318%0.18SC..Hα-helixtrans-58-44.4177.3-69.4-172-6500111.9K98 Q99 I100 A106K98-M102 WeakPolarHBondContact O-CG 3.36Å; K98-M102 PolarHBondContact O-N 3.25Å; Q99-M102 HydrophobicContact CB-CE 4.23Å; Q99-M102 HydrophobicContact CG-CE 4.34Å; Q99-M102 PolarHBondContact O-N 3.27Å; I100-M102 VanDerWaalsContact C-N 3.33Å; I100-M102 PolarHBondContact O-N 3.15Å; M102-A106 VanDerWaalsContact O-CB 3.25Å; M102-A106 WeakPolarHBondContact O-CB 3.5Å; M102-A106 PolarHBondContact O-N 3.04Å
103V95.4Very high94.7Very high11 Ų1136.4 Ų36.47%0.06718%0.184CC..Hα-helixtrans-64.9-44.8177.7174.80000111.2T67 Q99 I100 Q101 A106 L107T67-V103 HydrophobicContact CG2-CB 4.07Å; T67-V103 HydrophobicContact CG2-CG1 4.08Å; T67-V103 HydrophobicContact CG2-CG2 4.12Å; Q99-V103 WeakPolarHBondContact O-CG2 3.36Å; Q99-V103 PolarHBondContact O-N 2.85Å; I100-V103 PolarHBondContact O-N 2.82Å; Q101-V103 VanDerWaalsContact C-N 3.32Å; Q101-V103 PolarHBondContact O-N 3.15Å; V103-A106 PolarHBondContact O-N 2.8Å; V103-L107 HydrophobicContact CG1-CD1 3.7Å; V103-L107 HydrophobicContact CG1-CG 4.25Å; V103-L107 WeakPolarHBondContact O-CB 3.26Å; V103-L107 VanDerWaalsContact O-CG 3.26Å; V103-L107 WeakPolarHBondContact O-CG 3.38Å; V103-L107 PolarHBondContact O-N 2.67Å
104V97.7Very high95Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-61.3-48.1178.7167.70000111.4S71 L75 I100 Q101 G108 I113 C115 I137S71-V104 VanDerWaalsContact OG-CG2 3.32Å; S71-V104 WeakPolarHBondContact OG-CG2 3.46Å; L75-V104 HydrophobicContact CD2-CG1 4.42Å; I100-V104 HydrophobicContact CG2-CG2 4.17Å; I100-V104 WeakPolarHBondContact O-CB 3.08Å; I100-V104 VanDerWaalsContact O-CG2 3.3Å; I100-V104 WeakPolarHBondContact O-CG2 3.28Å; I100-V104 PolarHBondContact O-N 3.01Å; Q101-V104 PolarHBondContact O-N 2.89Å; V104-G108 PolarHBondContact O-N 2.89Å; V104-I113 HydrophobicContact CG1-CD1 4.39Å; V104-C115 HydrophobicContact CG1-CB 4.2Å; V104-I137 HydrophobicContact CG1-CD1 3.28Å; V104-I137 HydrophobicContact CG1-CG2 4.46Å
105L97.5Very high95.3Very high67 Ų6735.3 Ų35.335%0.35119%0.185SC..Hα-helixtrans-62.6-43.7178.2-71.1177.1000111.3Q101 G108 D109 I113 C115Q101-L105 HydrophobicContact CG-CD1 3.81Å; Q101-L105 HydrophobicContact CG-CG 4.17Å; Q101-L105 WeakPolarHBondContact O-CB 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.32Å; Q101-L105 PolarHBondContact O-N 2.82Å; L105-G108 CarbonylContact O-C 3.47Å; L105-G108 PolarHBondContact O-N 2.78Å; L105-D109 PolarHBondContact O-N 2.81Å; L105-I113 HydrophobicContact CD2-CD1 3.63Å; L105-C115 HydrophobicContact CD2-CB 3.71Å; L105-C115 HydrophobicContact CG-CB 4.15Å
106A96.6Very high95.7Very high38 Ų3836 Ų3631%0.31419%0.188SC..Hα-helixtrans-68-41.6-178.900000112.8Y34 M102 V103 G108Y34-A106 HydrophobicContact CD2-CB 3.52Å; Y34-A106 HydrophobicContact CE2-CB 3.58Å; M102-A106 VanDerWaalsContact O-CB 3.25Å; M102-A106 WeakPolarHBondContact O-CB 3.5Å; M102-A106 PolarHBondContact O-N 3.04Å; V103-A106 PolarHBondContact O-N 2.8Å; A106-G108 VanDerWaalsContact C-N 3.28Å; A106-G108 PolarHBondContact O-N 3.08Å
107L97.7Very high96.1Very high0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-69.7-28.5174.5-66.3175.4000112.2G30 I31 Y34 F36 A68 I72 L75 V103G30-L107 WeakPolarHBondContact CA-O 3.44Å; I31-L107 HydrophobicContact CG1-CD2 4.14Å; Y34-L107 HydrophobicContact CD1-CD2 4.24Å; Y34-L107 HydrophobicContact CG-CD2 3.97Å; F36-L107 HydrophobicContact CD2-CD2 4.23Å; F36-L107 HydrophobicContact CE2-CD2 4.08Å; A68-L107 HydrophobicContact CB-CD1 4.43Å; I72-L107 HydrophobicContact CG1-CD1 4.14Å; L75-L107 HydrophobicContact CD1-CB 3.64Å; V103-L107 HydrophobicContact CG1-CD1 3.7Å; V103-L107 HydrophobicContact CG1-CG 4.25Å; V103-L107 WeakPolarHBondContact O-CB 3.26Å; V103-L107 VanDerWaalsContact O-CG 3.26Å; V103-L107 WeakPolarHBondContact O-CG 3.38Å; V103-L107 PolarHBondContact O-N 2.67Å
108G97.4Very high96.2Very high1 Ų136.5 Ų36.51%0.0119%0.191CC..THydrogen-bonded Turntrans-93.36.8-179.800000115.1V104 L105 A106 Y110 M111V104-G108 PolarHBondContact O-N 2.89Å; L105-G108 CarbonylContact O-C 3.47Å; L105-G108 PolarHBondContact O-N 2.78Å; A106-G108 VanDerWaalsContact C-N 3.28Å; A106-G108 PolarHBondContact O-N 3.08Å; G108-Y110 PolarHBondContact O-N 2.97Å; G108-Y110 VanDerWaalsContact O-N 3.15Å; G108-M111 WeakPolarHBondContact O-CA 3.41Å; G108-M111 WeakPolarHBondContact O-CB 3.29Å; G108-M111 PolarHBondContact O-N 3.12Å
109D96.5Very high96.4Very high113 Ų11334.1 Ų34.160%0.60418%0.181SC*.G310 helixtrans-54.1-39.4-170.8-171.144.9000112.7L105 M111L105-D109 PolarHBondContact O-N 2.81Å; D109-M111 VanDerWaalsContact C-N 3.3Å; D109-M111 PolarHBondContact O-N 3.24Å
110Y97.1Very high96.4Very high78 Ų7834.3 Ų34.331%0.30619%0.187SC..G310 helixtrans-84.13.3178.3-58.4-79.6000114.6N26 R29 A33 G108N26-Y110 WeakPolarHBondContact CB-O 3.47Å; N26-Y110 VanDerWaalsContact CG-O 3.24Å; N26-Y110 PolarHBondContact ND2-O 3.14Å; R29-Y110 HydrophobicContact CB-CD2 4.07Å; R29-Y110 HydrophobicContact CB-CE2 4.43Å; R29-Y110 HydrophobicContact CB-CG 4.4Å; R29-Y110 HydrophobicContact CG-CD1 4.36Å; R29-Y110 HydrophobicContact CG-CD2 3.8Å; R29-Y110 HydrophobicContact CG-CE1 4.3Å; R29-Y110 HydrophobicContact CG-CE2 3.74Å; R29-Y110 HydrophobicContact CG-CG 4.11Å; A33-Y110 HydrophobicContact CB-CE2 3.78Å; G108-Y110 PolarHBondContact O-N 2.97Å; G108-Y110 VanDerWaalsContact O-N 3.15Å
111M96.7Very high96.1Very high13 Ų1336.4 Ų36.46%0.06421%0.208CC..G310 helixtrans-106.3-7.2-176.6-59.2-177.562.400113.3K24 N26 L27 L75 T80 G108 D109 I113K24-M111 HydrophobicContact CD-CE 3.96Å; N26-M111 HydrophobicContact CB-CG 3.83Å; L27-M111 HydrophobicContact CB-SD 3.76Å; L27-M111 HydrophobicContact CD1-SD 4.21Å; L27-M111 HydrophobicContact CG-SD 4.48Å; L75-M111 HydrophobicContact CB-CE 4.45Å; L75-M111 HydrophobicContact CB-SD 4.04Å; L75-M111 HydrophobicContact CD2-SD 4.28Å; L75-M111 VanDerWaalsContact O-CE 3.28Å; L75-M111 WeakPolarHBondContact O-CE 3.49Å; T80-M111 HydrophobicContact CG2-CB 4.29Å; T80-M111 HydrophobicContact CG2-CE 4.14Å; T80-M111 WeakPolarHBondContact CG2-O 3.47Å; G108-M111 WeakPolarHBondContact O-CA 3.41Å; G108-M111 WeakPolarHBondContact O-CB 3.29Å; G108-M111 PolarHBondContact O-N 3.12Å; D109-M111 VanDerWaalsContact C-N 3.3Å; D109-M111 PolarHBondContact O-N 3.24Å; M111-I113 VanDerWaalsContact C-N 3.32Å; M111-I113 HydrophobicContact CB-CG2 3.76Å; M111-I113 PolarHBondContact O-N 3.47Å
112N92.7Very high95.7Very high153 Ų15336.7 Ų36.782%0.81821%0.212SC*.THydrogen-bonded Turntrans5248.7-175.9-167.544.8000112.4
113I95.8Very high95.7Very high21 Ų2139 Ų3911%0.10822%0.222CC..  trans-88.4155.6-178.554.880.1000111.9L75 I78 T80 V104 L105 M111 C115 Q136L75-I113 HydrophobicContact CD2-CD1 4.46Å; L75-I113 HydrophobicContact CD2-CG1 3.91Å; L75-I113 HydrophobicContact CD2-CG2 4.29Å; I78-I113 HydrophobicContact CG2-CG2 4.4Å; T80-I113 HydrophobicContact CG2-CG2 4.13Å; V104-I113 HydrophobicContact CG1-CD1 4.39Å; L105-I113 HydrophobicContact CD2-CD1 3.63Å; M111-I113 VanDerWaalsContact C-N 3.32Å; M111-I113 HydrophobicContact CB-CG2 3.76Å; M111-I113 PolarHBondContact O-N 3.47Å; I113-C115 HydrophobicContact CD1-CB 4.4Å; I113-Q136 VanDerWaalsContact CA-OE1 3.25Å
114S96.9Very high95.7Very high31 Ų3140.4 Ų40.422%0.21723%0.231CC..  trans-108.6132.7170.361.20000111.4G134 Q135 Q136 I137S114-G134 PolarHBondContact OG-O 3.49Å; S114-G134 VanDerWaalsContact OG-O 3.13Å; S114-Q135 WeakPolarHBondContact OG-CA 3.25Å; S114-Q136 VanDerWaalsContact N-OE1 3.16Å; S114-Q136 PolarHBondContact O-N 3.34Å; S114-Q136 PolarHBondContact OG-N 3.29Å; S114-I137 PolarHBondContact O-N 2.65Å
115C98Very high95.6Very high9 Ų943.6 Ų43.66%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-140.6120.9180-174.80000110.4Q101 V104 L105 I113 I137Q101-C115 HydrophobicContact CG-CB 4.39Å; Q101-C115 PolarHBondContact NE2-O 3.35Å; V104-C115 HydrophobicContact CG1-CB 4.2Å; L105-C115 HydrophobicContact CD2-CB 3.71Å; L105-C115 HydrophobicContact CG-CB 4.15Å; I113-C115 HydrophobicContact CD1-CB 4.4Å; C115-I137 VanDerWaalsContact CA-O 3.29Å; C115-I137 WeakPolarHBondContact CA-O 3.33Å; C115-I137 HydrophobicContact CB-CB 4.02Å
116H98Very high95.5Very high20 Ų2043.3 Ų43.39%0.09325%0.254CS..EExtended strand (participates in β ladder)trans-113.9150.6179.3-174.754.3000112.6C118 D127 Q135 I137 V138 V139H116-C118 VanDerWaalsContact CD2-SG 3.6Å; H116-D127 IonicContact CD2-OD1 3.6Å; H116-D127 IonicContact CE1-OD1 3.72Å; H116-D127 IonicContact NE2-OD1 2.84Å; H116-D127 PolarHBondContact NE2-OD1 3.45Å; H116-Q135 HydrophobicContact CB-CB 4.05Å; H116-Q135 HydrophobicContact CB-CG 3.53Å; H116-I137 PolarHBondContact N-O 3.35Å; H116-V138 WeakPolarHBondContact O-CA 3.22Å; H116-V139 PolarHBondContact O-N 3.44Å
117V97.9Very high95.5Very high11 Ų1141.6 Ų41.67%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-108.8113.21791730000111.1A97 K98 Q101 I119 V139A97-V117 HydrophobicContact CB-CG1 4.15Å; K98-V117 HydrophobicContact CG-CG1 4.13Å; Q101-V117 HydrophobicContact CB-CG2 3.26Å; Q101-V117 HydrophobicContact CG-CG2 3.66Å; Q101-V117 VanDerWaalsContact OE1-CG2 3.23Å; V117-I119 HydrophobicContact CG1-CB 4.28Å; V117-I119 HydrophobicContact CG1-CD1 4.12Å; V117-I119 HydrophobicContact CG1-CG1 3.96Å; V117-I119 HydrophobicContact CG1-CG2 3.5Å; V117-I119 VanDerWaalsContact CG1-CG2 3.5Å; V117-V139 CarbonylContact C-O 3.57Å; V117-V139 WeakPolarHBondContact CA-O 3.39Å; V117-V139 HydrophobicContact CG2-CB 4.31Å
118C97.6Very high95.5Very high0 Ų042.9 Ų42.90%025%0.247CC..EExtended strand (participates in β ladder)trans-98.595.1176.3-68.80000110.6H116 V138 V139 G140 T141 R144 V145H116-C118 VanDerWaalsContact CD2-SG 3.6Å; C118-V138 HydrophobicContact CB-CG1 4.19Å; C118-V139 PolarHBondContact N-O 3.41Å; C118-G140 CarbonylContact O-C 3.56Å; C118-G140 WeakPolarHBondContact O-CA 3.48Å; C118-T141 PolarHBondContact O-N 3.23Å; C118-T141 VanDerWaalsContact O-N 3.12Å; C118-R144 HydrophobicContact CB-CG 4.01Å; C118-V145 HydrophobicContact CB-CG2 4.07Å
119I96.2Very high95.5Very high3 Ų348.2 Ų48.22%0.01527%0.271CS..  trans-128.5151.7-177.955.8170.9000112.2R94 A97 K98 V117 T122 T141 R144R94-I119 HydrophobicContact CB-CB 4.17Å; R94-I119 HydrophobicContact CB-CD1 4.02Å; R94-I119 HydrophobicContact CB-CG2 4.18Å; R94-I119 HydrophobicContact CG-CB 4.02Å; R94-I119 HydrophobicContact CG-CG2 4.34Å; A97-I119 HydrophobicContact CB-CG2 3.69Å; K98-I119 HydrophobicContact CD-CD1 4.29Å; K98-I119 HydrophobicContact CG-CD1 4.21Å; V117-I119 HydrophobicContact CG1-CB 4.28Å; V117-I119 HydrophobicContact CG1-CD1 4.12Å; V117-I119 HydrophobicContact CG1-CG1 3.96Å; V117-I119 HydrophobicContact CG1-CG2 3.5Å; V117-I119 VanDerWaalsContact CG1-CG2 3.5Å; I119-T122 HydrophobicContact CD1-CG2 4.03Å; I119-T122 HydrophobicContact CG1-CG2 3.89Å; I119-T122 PolarHBondContact O-OG1 3.36Å; I119-T141 HydrophobicContact CG2-CG2 4.17Å; I119-R144 PolarHBondContact O-NH1 2.93Å; I119-R144 PolarHBondContact O-NH2 2.97Å
120G91.9Very high95.5Very high16 Ų1645.7 Ų45.717%0.16526%0.256CS..THydrogen-bonded Turntrans-63.7163.3171.100000113R94 T122R94-G120 VanDerWaalsContact CD-O 3.26Å; R94-G120 WeakPolarHBondContact CD-O 3.47Å; R94-G120 VanDerWaalsContact CZ-C 3.48Å; R94-G120 VanDerWaalsContact CZ-O 3.26Å; R94-G120 PolarHBondContact NE-O 2.81Å; R94-G120 VanDerWaalsContact NE-O 3.08Å; G120-T122 PolarHBondContact O-N 3.47Å
121G88.8Confident95.5Very high43 Ų4342.9 Ų42.944%0.44325%0.246SC..THydrogen-bonded Turntrans79.6-2.2178.200000115.2
122T89.8Confident95.5Very high50 Ų5048.8 Ų48.831%0.30727%0.273SS..SBendtrans-105162.1171.960.50000110.8I119 G120 V124 R144I119-T122 HydrophobicContact CD1-CG2 4.03Å; I119-T122 HydrophobicContact CG1-CG2 3.89Å; I119-T122 PolarHBondContact O-OG1 3.36Å; G120-T122 PolarHBondContact O-N 3.47Å; T122-V124 PolarHBondContact O-N 3.08Å; T122-R144 PolarHBondContact O-NH1 3.49Å; T122-R144 PolarHBondContact O-NH2 2.86Å; T122-R144 PolarHBondContact OG1-NH1 3.11Å
123Q92.8Very high95.6Very high140 Ų14047.2 Ų47.265%0.65426%0.264SS*.  trans-64124.6176.5-64.7-177.145.200110.5S125 T126Q123-S125 PolarHBondContact O-N 2.87Å; Q123-T126 WeakPolarHBondContact O-CB 3.38Å; Q123-T126 PolarHBondContact O-N 3.26Å
124V95.8Very high95.5Very high41 Ų4147.1 Ų47.125%0.24827%0.268CS..Hα-helixtrans-62.3-33.6179.51760000111.6T122 T126 D127 I128 M148T122-V124 PolarHBondContact O-N 3.08Å; V124-T126 VanDerWaalsContact C-N 3.27Å; V124-T126 PolarHBondContact O-N 3.34Å; V124-D127 PolarHBondContact O-N 3.2Å; V124-I128 HydrophobicContact CG1-CD1 3.89Å; V124-I128 HydrophobicContact CG1-CG1 4.31Å; V124-I128 WeakPolarHBondContact O-CG1 3.38Å; V124-I128 PolarHBondContact O-N 3.04Å; V124-M148 HydrophobicContact CG1-CE 3.69Å
125S96.3Very high95.6Very high67 Ų6746.4 Ų46.447%0.46926%0.262SS..Hα-helixtrans-57.5-38.8175.644.90000112.7Q123 I128 E129Q123-S125 PolarHBondContact O-N 2.87Å; S125-I128 PolarHBondContact O-N 3.23Å; S125-E129 WeakPolarHBondContact O-CB 3.43Å; S125-E129 PolarHBondContact O-N 3.05Å
126T95Very high95.6Very high61 Ų6146.2 Ų46.237%0.37426%0.26SS..Hα-helixtrans-66-41.9177.7-53.60000111.5Q123 V124 I128 E129 Q130Q123-T126 WeakPolarHBondContact O-CB 3.38Å; Q123-T126 PolarHBondContact O-N 3.26Å; V124-T126 VanDerWaalsContact C-N 3.27Å; V124-T126 PolarHBondContact O-N 3.34Å; T126-I128 VanDerWaalsContact C-N 3.34Å; T126-E129 PolarHBondContact O-N 3.49Å; T126-Q130 WeakPolarHBondContact O-CB 3.3Å; T126-Q130 WeakPolarHBondContact O-CG 3.32Å; T126-Q130 PolarHBondContact O-N 3.41Å
127D97Very high95.6Very high3 Ų345.3 Ų45.32%0.01626%0.256CS..Hα-helixtrans-62.8-43.3175.1-76.9-14.4000111.3H116 V124 Q130 L131 R144 M148H116-D127 IonicContact CD2-OD1 3.6Å; H116-D127 IonicContact CE1-OD1 3.72Å; H116-D127 IonicContact NE2-OD1 2.84Å; H116-D127 PolarHBondContact NE2-OD1 3.45Å; V124-D127 PolarHBondContact O-N 3.2Å; D127-Q130 PolarHBondContact O-N 2.98Å; D127-L131 WeakPolarHBondContact O-CB 3.47Å; D127-L131 WeakPolarHBondContact O-CG 3.5Å; D127-L131 PolarHBondContact O-N 3.26Å; D127-R144 WeakPolarHBondContact OD2-CD 3.36Å; D127-R144 WeakPolarHBondContact OD2-CG 3.19Å; D127-R144 IonicContact OD2-CZ 3.8Å; D127-R144 IonicContact OD2-NE 3.98Å; D127-R144 IonicContact OD2-NH1 2.66Å; D127-R144 PolarHBondContact OD2-NH1 3.48Å; D127-M148 HydrophobicContact CB-CG 4.46Å; D127-M148 HydrophobicContact CB-SD 3.82Å
128I97.2Very high95.6Very high27 Ų2744.8 Ų44.814%0.13825%0.252CS..Hα-helixtrans-58.7-51.2177.4-69.3170000110.6V124 S125 T126 Q130 L131 Q132 M148 Y153V124-I128 HydrophobicContact CG1-CD1 3.89Å; V124-I128 HydrophobicContact CG1-CG1 4.31Å; V124-I128 WeakPolarHBondContact O-CG1 3.38Å; V124-I128 PolarHBondContact O-N 3.04Å; S125-I128 PolarHBondContact O-N 3.23Å; T126-I128 VanDerWaalsContact C-N 3.34Å; I128-Q130 PolarHBondContact O-N 2.75Å; I128-L131 PolarHBondContact O-N 3.04Å; I128-Q132 HydrophobicContact CG2-CG 4.41Å; I128-Q132 WeakPolarHBondContact O-CB 3.44Å; I128-Q132 VanDerWaalsContact O-CG 3.25Å; I128-Q132 WeakPolarHBondContact O-CG 3.36Å; I128-Q132 PolarHBondContact O-N 3.19Å; I128-M148 HydrophobicContact CG1-SD 4.31Å; I128-Y153 HydrophobicContact CB-CD1 4.39Å; I128-Y153 HydrophobicContact CB-CE1 4.47Å; I128-Y153 HydrophobicContact CB-CG 4.46Å; I128-Y153 HydrophobicContact CD1-CD2 3.96Å; I128-Y153 HydrophobicContact CD1-CE1 4.48Å; I128-Y153 HydrophobicContact CD1-CE2 3.51Å; I128-Y153 HydrophobicContact CG1-CD1 4.23Å; I128-Y153 HydrophobicContact CG1-CD2 3.62Å; I128-Y153 HydrophobicContact CG1-CE1 4.3Å; I128-Y153 HydrophobicContact CG1-CE2 3.7Å; I128-Y153 HydrophobicContact CG1-CG 3.9Å; I128-Y153 HydrophobicContact CG2-CD1 3.64Å; I128-Y153 HydrophobicContact CG2-CE1 3.47Å; I128-Y153 VanDerWaalsContact CG2-CE1 3.47Å; I128-Y153 HydrophobicContact CG2-CE2 4.39Å; I128-Y153 HydrophobicContact CG2-CG 4.18Å
129E97.1Very high95.7Very high113 Ų11344.8 Ų44.853%0.52825%0.252SS..Hα-helixtrans-59-48.7-179.6-176-177.717900111.2S125 T126 L131 Q132 L133S125-E129 WeakPolarHBondContact O-CB 3.43Å; S125-E129 PolarHBondContact O-N 3.05Å; T126-E129 PolarHBondContact O-N 3.49Å; E129-L131 PolarHBondContact O-N 2.85Å; E129-Q132 PolarHBondContact O-N 3.36Å; E129-L133 WeakPolarHBondContact O-CG 3.29Å; E129-L133 PolarHBondContact O-N 3.5Å; E129-L133 VanDerWaalsContact O-N 3.09Å
130Q97Very high95.8Very high60 Ų6044.6 Ų44.628%0.2825%0.252SS..Hα-helixtrans-63.8-41.2-180-70-58.8-47.500112.5T126 D127 I128 L133 Q135T126-Q130 WeakPolarHBondContact O-CB 3.3Å; T126-Q130 WeakPolarHBondContact O-CG 3.32Å; T126-Q130 PolarHBondContact O-N 3.41Å; D127-Q130 PolarHBondContact O-N 2.98Å; I128-Q130 PolarHBondContact O-N 2.75Å; Q130-L133 PolarHBondContact O-N 3.39Å; Q130-Q135 WeakPolarHBondContact O-CG 3.43Å; Q130-Q135 PolarHBondContact O-NE2 3.03Å
131L97.1Very high96Very high18 Ų1844.4 Ų44.49%0.09425%0.247CC..Hα-helixtrans-66.6-36.8177.3-71.4173.2000112.2D127 I128 E129 L133 G134 V138 M148 L154D127-L131 WeakPolarHBondContact O-CB 3.47Å; D127-L131 WeakPolarHBondContact O-CG 3.5Å; D127-L131 PolarHBondContact O-N 3.26Å; I128-L131 PolarHBondContact O-N 3.04Å; E129-L131 PolarHBondContact O-N 2.85Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 2.96Å; L131-G134 PolarHBondContact O-N 3.32Å; L131-V138 HydrophobicContact CD2-CG2 3.73Å; L131-M148 HydrophobicContact CD1-CB 3.82Å; L131-M148 HydrophobicContact CD1-CG 3.8Å; L131-M148 HydrophobicContact CD1-SD 4.06Å; L131-L154 HydrophobicContact CD1-CB 4.14Å; L131-L154 HydrophobicContact CD2-CD1 4.1Å
132Q95.8Very high96.4Very high138 Ų13842.4 Ų42.465%0.64523%0.226SC*.Hα-helixtrans-66.6-31.9175.4-75.2177.2-3800112.8I128 E129 G134 Y153I128-Q132 HydrophobicContact CG2-CG 4.41Å; I128-Q132 WeakPolarHBondContact O-CB 3.44Å; I128-Q132 VanDerWaalsContact O-CG 3.25Å; I128-Q132 WeakPolarHBondContact O-CG 3.36Å; I128-Q132 PolarHBondContact O-N 3.19Å; E129-Q132 PolarHBondContact O-N 3.36Å; Q132-G134 PolarHBondContact O-N 3.09Å; Q132-Y153 HydrophobicContact CG-CD1 4.47Å
133L95.4Very high96.7Very high119 Ų11941.7 Ų41.762%0.62323%0.229SC*.Hα-helixtrans-68.2-18.3173.8-70171.9000113.4E129 Q130 L131E129-L133 WeakPolarHBondContact O-CG 3.29Å; E129-L133 PolarHBondContact O-N 3.5Å; E129-L133 VanDerWaalsContact O-N 3.09Å; Q130-L133 PolarHBondContact O-N 3.39Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 2.96Å
134G95.1Very high97Very high19 Ų1936.3 Ų36.320%0.19620%0.203CC..  trans94110.3-179.100000112.7P83 S114 L131 Q132P83-G134 CarbonylContact O-C 3.6Å; P83-G134 WeakPolarHBondContact O-CA 3.26Å; S114-G134 PolarHBondContact OG-O 3.49Å; S114-G134 VanDerWaalsContact OG-O 3.13Å; L131-G134 PolarHBondContact O-N 3.32Å; Q132-G134 PolarHBondContact O-N 3.09Å
135Q97.4Very high97.1Very high17 Ų1734.3 Ų34.38%0.07919%0.191CC..  trans-120.3117.9-179.8-57.6-63.9-3200108.6P83 C85 S114 H116 Q130 I137 V138P83-Q135 PolarHBondContact O-N 3.3Å; C85-Q135 WeakPolarHBondContact CA-O 3.28Å; C85-Q135 VanDerWaalsContact CB-O 3.28Å; C85-Q135 WeakPolarHBondContact CB-O 3.01Å; C85-Q135 PolarHBondContact N-O 3.11Å; S114-Q135 WeakPolarHBondContact OG-CA 3.25Å; H116-Q135 HydrophobicContact CB-CB 4.05Å; H116-Q135 HydrophobicContact CB-CG 3.53Å; Q130-Q135 WeakPolarHBondContact O-CG 3.43Å; Q130-Q135 PolarHBondContact O-NE2 3.03Å; Q135-I137 VanDerWaalsContact C-N 3.28Å; Q135-I137 PolarHBondContact O-N 2.8Å; Q135-V138 HydrophobicContact CB-CG2 4.2Å
136Q98.1Very high97.2Very high5 Ų532.1 Ų32.12%0.02317%0.174CC..SBendtrans-69.9-30.8-179-69.2172.2-42.600112.1I78 C79 T80 D82 Q86 A87 I113 S114I78-Q136 HydrophobicContact CG2-CB 4.47Å; C79-Q136 PolarHBondContact O-NE2 3.34Å; T80-Q136 VanDerWaalsContact C-NE2 3.28Å; T80-Q136 VanDerWaalsContact CA-NE2 3.33Å; T80-Q136 PolarHBondContact O-NE2 3.37Å; D82-Q136 VanDerWaalsContact O-CG 3.3Å; D82-Q136 WeakPolarHBondContact O-CG 3.5Å; D82-Q136 PolarHBondContact O-NE2 2.95Å; Q86-Q136 PolarHBondContact N-O 2.91Å; A87-Q136 PolarHBondContact N-O 3.38Å; I113-Q136 VanDerWaalsContact CA-OE1 3.25Å; S114-Q136 VanDerWaalsContact N-OE1 3.16Å; S114-Q136 PolarHBondContact O-N 3.34Å; S114-Q136 PolarHBondContact OG-N 3.29Å
137I98.6Very high97.3Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-125.7131.8178.1-53.4170.8000108.1I74 L75 I78 A87 V104 S114 C115 H116 Q135 V139I74-I137 HydrophobicContact CG2-CD1 3.79Å; I74-I137 HydrophobicContact CG2-CG1 4.04Å; L75-I137 HydrophobicContact CD2-CD1 4.12Å; I78-I137 HydrophobicContact CD1-CD1 3.36Å; I78-I137 HydrophobicContact CD1-CG1 3.25Å; A87-I137 HydrophobicContact CB-CG1 4.47Å; A87-I137 WeakPolarHBondContact O-CA 3.25Å; V104-I137 HydrophobicContact CG1-CD1 3.28Å; V104-I137 HydrophobicContact CG1-CG2 4.46Å; S114-I137 PolarHBondContact O-N 2.65Å; C115-I137 VanDerWaalsContact CA-O 3.29Å; C115-I137 WeakPolarHBondContact CA-O 3.33Å; C115-I137 HydrophobicContact CB-CB 4.02Å; H116-I137 PolarHBondContact N-O 3.35Å; Q135-I137 VanDerWaalsContact C-N 3.28Å; Q135-I137 PolarHBondContact O-N 2.8Å; I137-V139 HydrophobicContact CG2-CG2 4.07Å
138V98.6Very high97.4Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-116.3130167.6175.30000108.5A87 L88 V89 H116 C118 L131 Q135 L154A87-V138 PolarHBondContact O-N 3.5Å; L88-V138 CarbonylContact C-O 3.52Å; L88-V138 WeakPolarHBondContact CA-O 3.41Å; L88-V138 HydrophobicContact CD1-CB 4.04Å; L88-V138 HydrophobicContact CD1-CG1 3.93Å; V89-V138 PolarHBondContact N-O 3.22Å; H116-V138 WeakPolarHBondContact O-CA 3.22Å; C118-V138 HydrophobicContact CB-CG1 4.19Å; L131-V138 HydrophobicContact CD2-CG2 3.73Å; Q135-V138 HydrophobicContact CB-CG2 4.2Å; V138-L154 HydrophobicContact CG1-CD2 4.14Å; V138-L154 HydrophobicContact CG2-CD1 3.91Å
139V98.5Very high97.4Very high0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-117.8138.6174.1-175.50000107.6V89 A97 I100 H116 V117 C118 I137V89-V139 HydrophobicContact CB-CB 4.43Å; V89-V139 HydrophobicContact CB-CG1 4.18Å; V89-V139 HydrophobicContact CB-CG2 4.14Å; V89-V139 HydrophobicContact CG1-CG1 4.4Å; V89-V139 HydrophobicContact CG2-CG2 4.3Å; V89-V139 CarbonylContact O-C 3.2Å; V89-V139 WeakPolarHBondContact O-CA 3.36Å; A97-V139 HydrophobicContact CB-CG1 4.03Å; A97-V139 WeakPolarHBondContact O-CG1 3.35Å; I100-V139 HydrophobicContact CB-CG1 3.85Å; I100-V139 HydrophobicContact CD1-CG1 4.31Å; I100-V139 HydrophobicContact CG2-CG1 3.76Å; I100-V139 HydrophobicContact CG2-CG2 3.94Å; H116-V139 PolarHBondContact O-N 3.44Å; V117-V139 CarbonylContact C-O 3.57Å; V117-V139 WeakPolarHBondContact CA-O 3.39Å; V117-V139 HydrophobicContact CG2-CB 4.31Å; C118-V139 PolarHBondContact N-O 3.41Å; I137-V139 HydrophobicContact CG2-CG2 4.07Å
140G97.9Very high97.4Very high0 Ų029.5 Ų29.50%017%0.167CC..EExtended strand (participates in β ladder)trans-174.2173.5-179.900000116.4V89 L90 A91 C118V89-G140 PolarHBondContact O-N 3.49Å; L90-G140 WeakPolarHBondContact CA-O 3.33Å; A91-G140 PolarHBondContact N-O 2.97Å; C118-G140 CarbonylContact O-C 3.56Å; C118-G140 WeakPolarHBondContact O-CA 3.48Å
141T96.8Very high97.4Very high12 Ų1233 Ų337%0.07418%0.178CC..  trans-81.1141.3169.252.10000109.9A91 R94 C118 I119 G143 R144 V145A91-T141 WeakPolarHBondContact O-CA 3.26Å; R94-T141 HydrophobicContact CG-CG2 4.03Å; C118-T141 PolarHBondContact O-N 3.23Å; C118-T141 VanDerWaalsContact O-N 3.12Å; I119-T141 HydrophobicContact CG2-CG2 4.17Å; T141-G143 VanDerWaalsContact C-N 3.28Å; T141-G143 PolarHBondContact O-N 2.84Å; T141-G143 VanDerWaalsContact O-N 3.11Å; T141-R144 PolarHBondContact O-N 3.28Å; T141-V145 PolarHBondContact O-N 3.35Å; T141-V145 VanDerWaalsContact O-N 3.12Å
142P97.2Very high97.4Very high0 Ų034.1 Ų34.10%019%0.194CC..Hα-helixtrans-48.8-44.1-175.3-30.534.9000114.3L90 A91 R144 V145 L146 M170 F175 Q178 I179 I182L90-P142 HydrophobicContact CB-CG 4.48Å; L90-P142 HydrophobicContact CD1-CG 4.29Å; A91-P142 WeakPolarHBondContact O-CD 3.06Å; P142-R144 PolarHBondContact O-N 3.1Å; P142-V145 PolarHBondContact O-N 2.99Å; P142-L146 VanDerWaalsContact O-CB 3.3Å; P142-L146 WeakPolarHBondContact O-CB 3.36Å; P142-L146 PolarHBondContact O-N 3.03Å; P142-M170 HydrophobicContact CG-SD 3.92Å; P142-F175 HydrophobicContact CB-CB 4.03Å; P142-F175 HydrophobicContact CB-CD1 4.06Å; P142-F175 HydrophobicContact CB-CG 4.04Å; P142-F175 HydrophobicContact CG-CB 3.86Å; P142-F175 HydrophobicContact CG-CD1 4.26Å; P142-F175 HydrophobicContact CG-CD2 4.01Å; P142-F175 HydrophobicContact CG-CG 3.81Å; P142-Q178 HydrophobicContact CB-CB 3.96Å; P142-I179 HydrophobicContact CG-CG1 4.34Å; P142-I182 HydrophobicContact CB-CD1 4.3Å
143G97.2Very high97.4Very high36 Ų3631.5 Ų31.537%0.37118%0.178SC..Hα-helixtrans-59.6-49.2-179.200000114.4T141 D147T141-G143 VanDerWaalsContact C-N 3.28Å; T141-G143 PolarHBondContact O-N 2.84Å; T141-G143 VanDerWaalsContact O-N 3.11Å; G143-D147 PolarHBondContact O-N 3.49Å; G143-D147 VanDerWaalsContact O-N 3.07Å
144R97.4Very high97.6Very high26 Ų2626.1 Ų26.110%0.09815%0.15CC..Hα-helixtrans-72.2-37.6-179.8179.561.168.882.50.1111.8C118 I119 T122 D127 T141 P142 D147 M148C118-R144 HydrophobicContact CB-CG 4.01Å; I119-R144 PolarHBondContact O-NH1 2.93Å; I119-R144 PolarHBondContact O-NH2 2.97Å; T122-R144 PolarHBondContact O-NH1 3.49Å; T122-R144 PolarHBondContact O-NH2 2.86Å; T122-R144 PolarHBondContact OG1-NH1 3.11Å; D127-R144 WeakPolarHBondContact OD2-CD 3.36Å; D127-R144 WeakPolarHBondContact OD2-CG 3.19Å; D127-R144 IonicContact OD2-CZ 3.8Å; D127-R144 IonicContact OD2-NE 3.98Å; D127-R144 IonicContact OD2-NH1 2.66Å; D127-R144 PolarHBondContact OD2-NH1 3.48Å; T141-R144 PolarHBondContact O-N 3.28Å; P142-R144 PolarHBondContact O-N 3.1Å; R144-D147 PolarHBondContact O-N 2.76Å; R144-M148 WeakPolarHBondContact O-CG 3.45Å; R144-M148 PolarHBondContact O-N 3.29Å
145V98.5Very high97.6Very high0 Ų030.7 Ų30.70%017%0.166CC..Hα-helixtrans-60-48.5175.4170.20000110.4L88 L90 C118 T141 P142 D147 M148 I149 L154 I182L88-V145 HydrophobicContact CD1-CG1 3.81Å; L88-V145 HydrophobicContact CD1-CG2 4.3Å; L88-V145 HydrophobicContact CD2-CG1 4Å; L88-V145 HydrophobicContact CG-CG1 4.5Å; L90-V145 HydrophobicContact CD2-CB 4.05Å; L90-V145 HydrophobicContact CD2-CG1 3.96Å; L90-V145 HydrophobicContact CD2-CG2 3.85Å; C118-V145 HydrophobicContact CB-CG2 4.07Å; T141-V145 PolarHBondContact O-N 3.35Å; T141-V145 VanDerWaalsContact O-N 3.12Å; P142-V145 PolarHBondContact O-N 2.99Å; V145-D147 VanDerWaalsContact C-N 3.34Å; V145-D147 PolarHBondContact O-N 3.01Å; V145-M148 PolarHBondContact O-N 3.13Å; V145-I149 HydrophobicContact CG1-CD1 3.88Å; V145-I149 WeakPolarHBondContact O-CG1 3.44Å; V145-I149 PolarHBondContact O-N 2.94Å; V145-L154 HydrophobicContact CG1-CD2 4.01Å; V145-I182 HydrophobicContact CB-CD1 4.18Å; V145-I182 HydrophobicContact CG1-CD1 3.9Å; V145-I182 HydrophobicContact CG1-CG1 4.36Å
146L98.2Very high97.6Very high20 Ų2030.4 Ų30.411%0.10517%0.166CC..Hα-helixtrans-60.4-44.1177.7-179.959.8000111.5P142 M148 I149 S150 Q178 E181 I182P142-L146 VanDerWaalsContact O-CB 3.3Å; P142-L146 WeakPolarHBondContact O-CB 3.36Å; P142-L146 PolarHBondContact O-N 3.03Å; L146-M148 VanDerWaalsContact C-N 3.29Å; L146-M148 PolarHBondContact O-N 3.2Å; L146-I149 PolarHBondContact O-N 2.95Å; L146-I149 VanDerWaalsContact O-N 3.15Å; L146-S150 WeakPolarHBondContact O-CB 3.29Å; L146-S150 PolarHBondContact O-N 2.6Å; L146-S150 PolarHBondContact O-OG 2.86Å; L146-S150 VanDerWaalsContact O-OG 3.08Å; L146-Q178 HydrophobicContact CD2-CB 4.01Å; L146-Q178 HydrophobicContact CD2-CG 3.88Å; L146-E181 HydrophobicContact CD1-CB 4Å; L146-E181 HydrophobicContact CD1-CG 3.69Å; L146-E181 HydrophobicContact CD2-CB 4.25Å; L146-E181 HydrophobicContact CD2-CG 4.4Å; L146-E181 WeakPolarHBondContact CD2-OE2 3.33Å; L146-I182 HydrophobicContact CB-CD1 4.17Å; L146-I182 HydrophobicContact CB-CG1 3.97Å; L146-I182 HydrophobicContact CD1-CG1 4.08Å
147D97.9Very high97.4Very high45 Ų4535.9 Ų35.924%0.24119%0.191CC..Hα-helixtrans-56.4-42.3175.1-176.147000112G143 R144 V145 S150 R151G143-D147 PolarHBondContact O-N 3.49Å; G143-D147 VanDerWaalsContact O-N 3.07Å; R144-D147 PolarHBondContact O-N 2.76Å; V145-D147 VanDerWaalsContact C-N 3.34Å; V145-D147 PolarHBondContact O-N 3.01Å; D147-S150 PolarHBondContact O-N 2.66Å; D147-R151 VanDerWaalsContact CG-NE 3.27Å; D147-R151 WeakPolarHBondContact O-CB 3.42Å; D147-R151 VanDerWaalsContact O-CG 3.23Å; D147-R151 WeakPolarHBondContact O-CG 3.2Å; D147-R151 PolarHBondContact O-N 3.03Å; D147-R151 IonicContact OD1-CZ 3.78Å; D147-R151 IonicContact OD1-NE 2.74Å; D147-R151 PolarHBondContact OD1-NE 3.24Å; D147-R151 IonicContact OD1-NH2 2.62Å; D147-R151 PolarHBondContact OD1-NH2 2.96Å; D147-R151 IonicContact OD2-CZ 3.03Å; D147-R151 IonicContact OD2-NE 3.77Å; D147-R151 PolarHBondContact OD2-NE 2.88Å; D147-R151 IonicContact OD2-NH2 2.72Å; D147-R151 PolarHBondContact OD2-NH2 3.21Å
148M98.1Very high97.3Very high0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-69.1-33.7178.2-66.7-56.59600113V124 D127 I128 L131 R144 V145 L146 G152 Y153 L154V124-M148 HydrophobicContact CG1-CE 3.69Å; D127-M148 HydrophobicContact CB-CG 4.46Å; D127-M148 HydrophobicContact CB-SD 3.82Å; I128-M148 HydrophobicContact CG1-SD 4.31Å; L131-M148 HydrophobicContact CD1-CB 3.82Å; L131-M148 HydrophobicContact CD1-CG 3.8Å; L131-M148 HydrophobicContact CD1-SD 4.06Å; R144-M148 WeakPolarHBondContact O-CG 3.45Å; R144-M148 PolarHBondContact O-N 3.29Å; V145-M148 PolarHBondContact O-N 3.13Å; L146-M148 VanDerWaalsContact C-N 3.29Å; L146-M148 PolarHBondContact O-N 3.2Å; M148-G152 PolarHBondContact O-N 2.89Å; M148-Y153 PolarHBondContact O-N 2.97Å; M148-L154 HydrophobicContact CB-CB 3.91Å; M148-L154 PolarHBondContact O-N 3.45Å
149I98Very high97.2Very high24 Ų2437 Ų3712%0.12320%0.198CC..Hα-helixtrans-69.1-50.5173.9-66.8169.2000110V145 L146 R151 G152 L154 T156 I182V145-I149 HydrophobicContact CG1-CD1 3.88Å; V145-I149 WeakPolarHBondContact O-CG1 3.44Å; V145-I149 PolarHBondContact O-N 2.94Å; L146-I149 PolarHBondContact O-N 2.95Å; L146-I149 VanDerWaalsContact O-N 3.15Å; I149-R151 PolarHBondContact O-N 2.83Å; I149-G152 WeakPolarHBondContact O-CA 3.34Å; I149-G152 PolarHBondContact O-N 3.49Å; I149-L154 HydrophobicContact CD1-CD2 4.22Å; I149-L154 HydrophobicContact CG1-CB 3.93Å; I149-L154 HydrophobicContact CG1-CD2 3.81Å; I149-L154 HydrophobicContact CG1-CG 3.88Å; I149-T156 HydrophobicContact CD1-CG2 3.83Å; I149-T156 HydrophobicContact CG1-CG2 3.87Å; I149-T156 HydrophobicContact CG2-CG2 4.15Å; I149-I182 HydrophobicContact CD1-CG1 4.2Å; I149-I182 HydrophobicContact CD1-CG2 4.07Å
150S97.2Very high97.1Very high80 Ų8042.7 Ų42.756%0.55922%0.223SC*.Hα-helixtrans-63.7-29.7-176.6-61.50000113L146 D147 G152L146-S150 WeakPolarHBondContact O-CB 3.29Å; L146-S150 PolarHBondContact O-N 2.6Å; L146-S150 PolarHBondContact O-OG 2.86Å; L146-S150 VanDerWaalsContact O-OG 3.08Å; D147-S150 PolarHBondContact O-N 2.66Å; S150-G152 VanDerWaalsContact C-N 3.32Å
151R96.6Very high97.1Very high134 Ų13442.9 Ų42.951%0.50622%0.224SC..THydrogen-bonded Turntrans-80.1-8.9172.4-68.1175.9-167-128.23.6114.3D147 I149 Y153D147-R151 VanDerWaalsContact CG-NE 3.27Å; D147-R151 WeakPolarHBondContact O-CB 3.42Å; D147-R151 VanDerWaalsContact O-CG 3.23Å; D147-R151 WeakPolarHBondContact O-CG 3.2Å; D147-R151 PolarHBondContact O-N 3.03Å; D147-R151 IonicContact OD1-CZ 3.78Å; D147-R151 IonicContact OD1-NE 2.74Å; D147-R151 PolarHBondContact OD1-NE 3.24Å; D147-R151 IonicContact OD1-NH2 2.62Å; D147-R151 PolarHBondContact OD1-NH2 2.96Å; D147-R151 IonicContact OD2-CZ 3.03Å; D147-R151 IonicContact OD2-NE 3.77Å; D147-R151 PolarHBondContact OD2-NE 2.88Å; D147-R151 IonicContact OD2-NH2 2.72Å; D147-R151 PolarHBondContact OD2-NH2 3.21Å; I149-R151 PolarHBondContact O-N 2.83Å; R151-Y153 HydrophobicContact CB-CD2 3.48Å; R151-Y153 VanDerWaalsContact CB-CD2 3.48Å; R151-Y153 HydrophobicContact CB-CE2 3.73Å
152G96.4Very high97.1Very high41 Ų4142.4 Ų42.442%0.42322%0.221SC..THydrogen-bonded Turntrans79.116.4-178.900000115.1M148 I149 S150 H155M148-G152 PolarHBondContact O-N 2.89Å; I149-G152 WeakPolarHBondContact O-CA 3.34Å; I149-G152 PolarHBondContact O-N 3.49Å; S150-G152 VanDerWaalsContact C-N 3.32Å; G152-H155 PolarHBondContact O-CE1 2.9Å
153Y97.2Very high97.1Very high83 Ų8342.4 Ų42.433%0.32522%0.221SC..  trans-88.6-35.9177.1-66.1-67.2000112.2I128 Q132 M148 R151 H155I128-Y153 HydrophobicContact CB-CD1 4.39Å; I128-Y153 HydrophobicContact CB-CE1 4.47Å; I128-Y153 HydrophobicContact CB-CG 4.46Å; I128-Y153 HydrophobicContact CD1-CD2 3.96Å; I128-Y153 HydrophobicContact CD1-CE1 4.48Å; I128-Y153 HydrophobicContact CD1-CE2 3.51Å; I128-Y153 HydrophobicContact CG1-CD1 4.23Å; I128-Y153 HydrophobicContact CG1-CD2 3.62Å; I128-Y153 HydrophobicContact CG1-CE1 4.3Å; I128-Y153 HydrophobicContact CG1-CE2 3.7Å; I128-Y153 HydrophobicContact CG1-CG 3.9Å; I128-Y153 HydrophobicContact CG2-CD1 3.64Å; I128-Y153 HydrophobicContact CG2-CE1 3.47Å; I128-Y153 VanDerWaalsContact CG2-CE1 3.47Å; I128-Y153 HydrophobicContact CG2-CE2 4.39Å; I128-Y153 HydrophobicContact CG2-CG 4.18Å; Q132-Y153 HydrophobicContact CG-CD1 4.47Å; M148-Y153 PolarHBondContact O-N 2.97Å; R151-Y153 HydrophobicContact CB-CD2 3.48Å; R151-Y153 VanDerWaalsContact CB-CD2 3.48Å; R151-Y153 HydrophobicContact CB-CE2 3.73Å; Y153-H155 PolarHBondContact O-ND1 3.16Å
154L97.8Very high97.1Very high6 Ų641 Ų413%0.03121%0.205CC..SBendtrans-93.4102.8171178.952.8000110.2C85 L88 L131 V138 V145 M148 I149C85-L154 HydrophobicContact CB-CD1 4.07Å; L88-L154 HydrophobicContact CD1-CD2 4.36Å; L131-L154 HydrophobicContact CD1-CB 4.14Å; L131-L154 HydrophobicContact CD2-CD1 4.1Å; V138-L154 HydrophobicContact CG1-CD2 4.14Å; V138-L154 HydrophobicContact CG2-CD1 3.91Å; V145-L154 HydrophobicContact CG1-CD2 4.01Å; M148-L154 HydrophobicContact CB-CB 3.91Å; M148-L154 PolarHBondContact O-N 3.45Å; I149-L154 HydrophobicContact CD1-CD2 4.22Å; I149-L154 HydrophobicContact CG1-CB 3.93Å; I149-L154 HydrophobicContact CG1-CD2 3.81Å; I149-L154 HydrophobicContact CG1-CG 3.88Å
155H96Very high96.9Very high116 Ų11639.9 Ų39.954%0.53720%0.201SC..  trans-80.1123.6177-64.382.4000110.6G152 Y153G152-H155 PolarHBondContact O-CE1 2.9Å; Y153-H155 PolarHBondContact O-ND1 3.16Å
156T96.6Very high96.6Very high11 Ų1140.2 Ų40.27%0.06720%0.203CC..  trans-98.3-10.3-17255.50000114.1I149 T158 I159 S185 L186I149-T156 HydrophobicContact CD1-CG2 3.83Å; I149-T156 HydrophobicContact CG1-CG2 3.87Å; I149-T156 HydrophobicContact CG2-CG2 4.15Å; T156-T158 PolarHBondContact O-N 2.85Å; T156-T158 VanDerWaalsContact O-N 3.12Å; T156-I159 HydrophobicContact CG2-CD1 4.02Å; T156-I159 WeakPolarHBondContact O-CB 3.36Å; T156-I159 PolarHBondContact O-N 2.66Å; T156-I159 VanDerWaalsContact O-N 3.14Å; T156-S185 WeakPolarHBondContact CB-O 3.46Å; T156-S185 PolarHBondContact OG1-O 3.3Å; T156-L186 HydrophobicContact CG2-CD2 4.13Å
157Q94.7Very high96.3Very high120 Ų12039.4 Ų39.456%0.56120%0.199SC*.THydrogen-bonded Turntrans-68.4-13.8-172.3-60.282.72.700113.9N187Q157-N187 VanDerWaalsContact C-ND2 3.3Å; Q157-N187 PolarHBondContact O-ND2 3.01Å
158T95.6Very high95.9Very high23 Ų2337.6 Ų37.614%0.14119%0.189CC..THydrogen-bonded Turntrans-106-4.8178.348.10000113.4R84 C85 T156 K160R84-T158 HydrophobicContact CB-CG2 4.13Å; C85-T158 CarbonylContact O-C 3.6Å; C85-T158 VanDerWaalsContact O-CB 3.29Å; C85-T158 WeakPolarHBondContact O-CB 3.26Å; C85-T158 PolarHBondContact O-OG1 3.22Å; T156-T158 PolarHBondContact O-N 2.85Å; T156-T158 VanDerWaalsContact O-N 3.12Å; T158-K160 PolarHBondContact O-N 2.85Å
159I97.4Very high95.4Very high1 Ų138 Ų381%0.00519%0.191CC..  trans-69.3123179.4-61.6173.2000108.9C85 Q86 L88 T156 C161 L186 V190C85-I159 HydrophobicContact CB-CG1 4.47Å; C85-I159 PolarHBondContact O-N 3.11Å; Q86-I159 WeakPolarHBondContact O-CA 3.32Å; L88-I159 HydrophobicContact CB-CD1 3.98Å; L88-I159 HydrophobicContact CB-CG2 4.25Å; L88-I159 HydrophobicContact CD2-CD1 4.29Å; T156-I159 HydrophobicContact CG2-CD1 4.02Å; T156-I159 WeakPolarHBondContact O-CB 3.36Å; T156-I159 PolarHBondContact O-N 2.66Å; T156-I159 VanDerWaalsContact O-N 3.14Å; I159-C161 WeakPolarHBondContact CG2-O 3.3Å; I159-L186 HydrophobicContact CB-CD2 4.21Å; I159-L186 HydrophobicContact CD1-CD2 3.71Å; I159-L186 HydrophobicContact CG2-CD2 4.13Å; I159-V190 HydrophobicContact CG2-CG2 4.14Å
160K96Very high95.1Very high118 Ų11836.8 Ų36.851%0.51319%0.185SC..  trans-109-25.7178.8-64.8171.3-173.2170.30112.2Q86 T158 Q191Q86-K160 PolarHBondContact O-N 2.85Å; T158-K160 PolarHBondContact O-N 2.85Å; K160-Q191 WeakPolarHBondContact O-CB 3.49Å; K160-Q191 PolarHBondContact O-N 3.49Å
161C97.5Very high94.8Very high4 Ų433.9 Ų33.93%0.02716%0.163CC..EExtended strand (participates in β ladder)trans-126.2127.7179.6-176.50000110.6Q86 A87 L88 I159Q86-C161 PolarHBondContact O-N 3.36Å; A87-C161 VanDerWaalsContact CA-O 3.29Å; A87-C161 WeakPolarHBondContact CA-O 3.23Å; A87-C161 HydrophobicContact CB-CB 4.28Å; L88-C161 PolarHBondContact N-O 3.07Å; I159-C161 WeakPolarHBondContact CG2-O 3.3Å
162F97.7Very high94.3Very high3 Ų330.6 Ų30.61%0.01316%0.161CC..EExtended strand (participates in β ladder)trans-121.6122.7176.5-179.8-127.3000109.7L88 L90 L164 I182 F183 L186 V190 Q191 I192 I193L88-F162 HydrophobicContact CB-CD2 4.06Å; L88-F162 HydrophobicContact CD2-CD2 3.87Å; L88-F162 HydrophobicContact CD2-CE2 3.74Å; L88-F162 HydrophobicContact CG-CD2 3.93Å; L88-F162 HydrophobicContact CG-CE2 4Å; L88-F162 CarbonylContact O-C 3.5Å; L88-F162 WeakPolarHBondContact O-CA 3.49Å; L90-F162 HydrophobicContact CD1-CE2 3.73Å; L90-F162 HydrophobicContact CD1-CZ 3.57Å; L90-F162 HydrophobicContact CD2-CE2 4.44Å; L90-F162 HydrophobicContact CG-CE2 3.7Å; L90-F162 HydrophobicContact CG-CZ 4.04Å; F162-L164 HydrophobicContact CE1-CD1 4.45Å; F162-L164 HydrophobicContact CE1-CD2 3.86Å; F162-L164 HydrophobicContact CE1-CG 4.12Å; F162-L164 HydrophobicContact CE2-CD2 4.4Å; F162-L164 HydrophobicContact CZ-CD2 3.64Å; F162-L164 HydrophobicContact CZ-CG 4.36Å; F162-I182 HydrophobicContact CE2-CG2 3.94Å; F162-I182 HydrophobicContact CZ-CG2 4.03Å; F162-F183 HydrophobicContact CD1-CD2 4.23Å; F162-F183 HydrophobicContact CE1-CD2 4.27Å; F162-L186 HydrophobicContact CB-CD1 3.79Å; F162-L186 HydrophobicContact CD1-CD1 3.74Å; F162-L186 HydrophobicContact CD2-CD1 3.79Å; F162-L186 HydrophobicContact CE1-CD1 4.22Å; F162-L186 HydrophobicContact CE2-CD1 4.25Å; F162-L186 HydrophobicContact CG-CD1 3.5Å; F162-L186 VanDerWaalsContact CG-CD1 3.5Å; F162-L186 HydrophobicContact CZ-CD1 4.45Å; F162-V190 HydrophobicContact CB-CG2 3.86Å; F162-Q191 PolarHBondContact N-O 3.24Å; F162-I192 HydrophobicContact CD1-CG2 4.25Å; F162-I192 CarbonylContact O-C 3.58Å; F162-I192 VanDerWaalsContact O-CA 3.28Å; F162-I192 WeakPolarHBondContact O-CA 3.36Å; F162-I193 PolarHBondContact O-N 3.26Å
163V97.7Very high93.8Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-117.6134.2-175.2-175.40000110.6F70 I74 L88 V89 L90 I193 L195F70-V163 HydrophobicContact CB-CG1 4.04Å; F70-V163 HydrophobicContact CB-CG2 4.43Å; F70-V163 HydrophobicContact CD1-CG1 4.06Å; F70-V163 HydrophobicContact CD2-CG1 3.95Å; F70-V163 HydrophobicContact CE1-CG1 4.42Å; F70-V163 HydrophobicContact CE2-CG1 4.4Å; F70-V163 HydrophobicContact CG-CG1 3.78Å; I74-V163 HydrophobicContact CD1-CG2 3.83Å; I74-V163 HydrophobicContact CG1-CG2 4.24Å; L88-V163 PolarHBondContact O-N 3.37Å; V89-V163 WeakPolarHBondContact CA-O 3.48Å; V89-V163 HydrophobicContact CB-CB 4.32Å; V89-V163 HydrophobicContact CG1-CB 4.05Å; V89-V163 HydrophobicContact CG1-CG1 4.15Å; V89-V163 HydrophobicContact CG2-CB 4.06Å; V89-V163 HydrophobicContact CG2-CG2 4.31Å; L90-V163 PolarHBondContact N-O 3.45Å; V163-I193 CarbonylContact C-O 3.59Å; V163-I193 VanDerWaalsContact CA-O 3.26Å; V163-I193 WeakPolarHBondContact CA-O 3.3Å; V163-I193 HydrophobicContact CG1-CB 4.41Å; V163-I193 HydrophobicContact CG2-CB 4.09Å; V163-I193 HydrophobicContact CG2-CD1 4.35Å; V163-L195 HydrophobicContact CG1-CD1 3.7Å
164L96.1Very high93.5Very high6 Ų630.6 Ų30.63%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-112.4102.5170.4-62.2175.2000108L90 F162 A167 M170 I179 I193 L194 L195L90-L164 HydrophobicContact CB-CD2 4Å; L90-L164 HydrophobicContact CD1-CD2 3.79Å; L90-L164 HydrophobicContact CG-CD2 4.16Å; F162-L164 HydrophobicContact CE1-CD1 4.45Å; F162-L164 HydrophobicContact CE1-CD2 3.86Å; F162-L164 HydrophobicContact CE1-CG 4.12Å; F162-L164 HydrophobicContact CE2-CD2 4.4Å; F162-L164 HydrophobicContact CZ-CD2 3.64Å; F162-L164 HydrophobicContact CZ-CG 4.36Å; L164-A167 HydrophobicContact CB-CB 4.21Å; L164-M170 HydrophobicContact CB-CE 3.68Å; L164-M170 HydrophobicContact CD2-CE 3.72Å; L164-M170 HydrophobicContact CG-CE 4.27Å; L164-I179 HydrophobicContact CD1-CG2 4.34Å; L164-I179 HydrophobicContact CD2-CD1 4.49Å; L164-I179 HydrophobicContact CD2-CG1 4.46Å; L164-I179 HydrophobicContact CD2-CG2 4.15Å; L164-I193 PolarHBondContact N-O 3.37Å; L164-L194 HydrophobicContact CB-CG 4.41Å; L164-L194 HydrophobicContact CD1-CD1 4.41Å; L164-L195 PolarHBondContact O-N 2.74Å
165D94.4Very high93.3Very high2 Ų232.5 Ų32.51%0.01118%0.175CC..EExtended strand (participates in β ladder)trans-91.6134.7173.5-164.417.5000110F70 L90 P92 I100 M170F70-D165 HydrophobicContact CE1-CB 3.94Å; F70-D165 WeakPolarHBondContact CE1-OD2 3.48Å; F70-D165 HydrophobicContact CZ-CB 4.2Å; L90-D165 PolarHBondContact O-N 2.8Å; P92-D165 VanDerWaalsContact CD-O 3.3Å; P92-D165 WeakPolarHBondContact CD-O 3.48Å; I100-D165 HydrophobicContact CD1-CB 4.17Å; D165-M170 WeakPolarHBondContact O-CE 3.3Å
166E90.7Very high93.2Very high7 Ų731.9 Ų31.93%0.03317%0.171CC..THydrogen-bonded Turntrans52.353.3-172.1-58.2-171.8164.400112.6P92 L96 D168 E169 M170 L195 R317 G318P92-E166 HydrophobicContact CG-CB 3.9Å; L96-E166 HydrophobicContact CD2-CG 4.05Å; L96-E166 WeakPolarHBondContact CD2-OE2 3.33Å; E166-D168 VanDerWaalsContact C-N 3.34Å; E166-D168 PolarHBondContact O-N 3.45Å; E166-E169 HydrophobicContact CB-CB 4.25Å; E166-E169 WeakPolarHBondContact O-CB 3.33Å; E166-E169 PolarHBondContact O-N 2.92Å; E166-M170 PolarHBondContact O-N 2.98Å; E166-M170 VanDerWaalsContact O-N 3.15Å; E166-L195 WeakPolarHBondContact CA-O 3.28Å; E166-L195 PolarHBondContact N-O 3.23Å; E166-R317 VanDerWaalsContact OE2-CB 3.23Å; E166-R317 WeakPolarHBondContact OE2-CB 3.38Å; E166-G318 WeakPolarHBondContact OE1-CA 3.42Å; E166-G318 PolarHBondContact OE1-N 2.77Å; E166-G318 PolarHBondContact OE2-N 3.34Å
167A92Very high93Very high4 Ų436.5 Ų36.53%0.03320%0.195CC..Hα-helixtrans-57-41.7-175.100000114L164 E169 M170 L171 L194 L195 V203L164-A167 HydrophobicContact CB-CB 4.21Å; A167-E169 PolarHBondContact O-N 3.45Å; A167-M170 HydrophobicContact CB-CE 4.44Å; A167-M170 PolarHBondContact O-N 3.22Å; A167-M170 VanDerWaalsContact O-N 3.16Å; A167-L171 WeakPolarHBondContact O-CG 3.43Å; A167-L171 PolarHBondContact O-N 3.19Å; A167-L171 VanDerWaalsContact O-N 3.17Å; A167-L194 HydrophobicContact CB-CD1 4.16Å; A167-L194 HydrophobicContact CB-CD2 3.67Å; A167-L194 HydrophobicContact CB-CG 3.72Å; A167-L195 PolarHBondContact N-O 3.02Å; A167-V203 HydrophobicContact CB-CG1 4.32Å
168D89.1Confident93.1Very high6 Ų633.6 Ų33.63%0.03218%0.182CC..Hα-helixtrans-53.8-41.2173.760.6-33.1000112.4E166 L171 S172 S196 T198 P200 V203 R317 H341E166-D168 VanDerWaalsContact C-N 3.34Å; E166-D168 PolarHBondContact O-N 3.45Å; D168-L171 PolarHBondContact O-N 2.97Å; D168-S172 PolarHBondContact O-N 3.04Å; D168-S196 PolarHBondContact OD1-OG 3.17Å; D168-S196 PolarHBondContact OD2-OG 3.16Å; D168-T198 WeakPolarHBondContact CB-OG1 3.3Å; D168-T198 VanDerWaalsContact CG-OG1 3.31Å; D168-T198 PolarHBondContact OD2-OG1 2.91Å; D168-P200 HydrophobicContact CB-CG 4.3Å; D168-V203 HydrophobicContact CB-CG2 3.89Å; D168-R317 IonicContact OD1-NH1 3.16Å; D168-R317 PolarHBondContact OD1-NH1 3.47Å; D168-R317 IonicContact OD2-CZ 3.31Å; D168-R317 IonicContact OD2-NH1 2.75Å; D168-R317 PolarHBondContact OD2-NH1 2.78Å; D168-H341 IonicContact OD2-CE1 2.78Å; D168-H341 IonicContact OD2-NE2 4Å; D168-H341 PolarHBondContact OD2-NE2 2.95Å
169E88.1Confident93Very high8 Ų832.7 Ų32.74%0.03718%0.176CC..Hα-helixtrans-69.2-42.1177.4-17361.6168.100112.2P92 E166 A167 L171 S172 L173 R317P92-E169 HydrophobicContact CB-CB 3.91Å; P92-E169 HydrophobicContact CB-CG 3.5Å; P92-E169 HydrophobicContact CG-CB 3.98Å; P92-E169 HydrophobicContact CG-CG 3.88Å; E166-E169 HydrophobicContact CB-CB 4.25Å; E166-E169 WeakPolarHBondContact O-CB 3.33Å; E166-E169 PolarHBondContact O-N 2.92Å; A167-E169 PolarHBondContact O-N 3.45Å; E169-L171 PolarHBondContact O-N 3.36Å; E169-S172 VanDerWaalsContact CD-OG 3.29Å; E169-S172 PolarHBondContact O-N 3.48Å; E169-S172 VanDerWaalsContact O-N 3.13Å; E169-S172 PolarHBondContact O-OG 3.45Å; E169-S172 PolarHBondContact OE2-OG 3.02Å; E169-L173 HydrophobicContact CG-CD1 3.79Å; E169-L173 HydrophobicContact CG-CG 4.09Å; E169-L173 WeakPolarHBondContact O-CB 3.34Å; E169-L173 WeakPolarHBondContact O-CG 3.32Å; E169-L173 PolarHBondContact O-N 2.95Å; E169-R317 VanDerWaalsContact CB-CD 3.5Å; E169-R317 VanDerWaalsContact CB-NH1 3.29Å; E169-R317 VanDerWaalsContact CD-CD 3.41Å; E169-R317 VanDerWaalsContact CD-NE 3.31Å; E169-R317 VanDerWaalsContact CG-CD 3.47Å; E169-R317 IonicContact OE1-NE 2.69Å; E169-R317 IonicContact OE2-CZ 3.52Å; E169-R317 IonicContact OE2-NE 3.26Å; E169-R317 PolarHBondContact OE2-NE 2.89Å; E169-R317 IonicContact OE2-NH1 3.7Å; E169-R317 PolarHBondContact OE2-NH1 3.48Å; E169-R317 IonicContact OE2-NH2 3.91Å; E169-R317 PolarHBondContact OE2-NH2 2.8Å
170M91.6Very high92.9Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-59.7-33.3179.4-68.6-170.7-75.800111.1L90 P92 P142 L164 D165 E166 A167 F175 I179L90-M170 HydrophobicContact CB-CE 4.26Å; L90-M170 HydrophobicContact CB-SD 3.77Å; P92-M170 HydrophobicContact CB-CG 3.83Å; P92-M170 HydrophobicContact CG-CG 4.4Å; P142-M170 HydrophobicContact CG-SD 3.92Å; L164-M170 HydrophobicContact CB-CE 3.68Å; L164-M170 HydrophobicContact CD2-CE 3.72Å; L164-M170 HydrophobicContact CG-CE 4.27Å; D165-M170 WeakPolarHBondContact O-CE 3.3Å; E166-M170 PolarHBondContact O-N 2.98Å; E166-M170 VanDerWaalsContact O-N 3.15Å; A167-M170 HydrophobicContact CB-CE 4.44Å; A167-M170 PolarHBondContact O-N 3.22Å; A167-M170 VanDerWaalsContact O-N 3.16Å; M170-F175 HydrophobicContact CB-CB 4.3Å; M170-F175 HydrophobicContact CB-CD2 4.24Å; M170-F175 HydrophobicContact CG-CD2 4.41Å; M170-F175 WeakPolarHBondContact O-CA 2.96Å; M170-F175 VanDerWaalsContact O-CB 3.23Å; M170-F175 WeakPolarHBondContact O-CB 3.49Å; M170-F175 PolarHBondContact O-N 3.28Å; M170-I179 HydrophobicContact CB-CD1 3.69Å; M170-I179 HydrophobicContact CE-CD1 4.29Å; M170-I179 HydrophobicContact CG-CD1 4.5Å; M170-I179 HydrophobicContact SD-CD1 4.09Å
171L91Very high92.8Very high18 Ų1833.1 Ų33.19%0.09418%0.18CC..Hα-helixtrans-72.9-42.5174.7-54.2-173.5000112.6A167 D168 E169 L173 G174 K176 I179 E202 V203 I206A167-L171 WeakPolarHBondContact O-CG 3.43Å; A167-L171 PolarHBondContact O-N 3.19Å; A167-L171 VanDerWaalsContact O-N 3.17Å; D168-L171 PolarHBondContact O-N 2.97Å; E169-L171 PolarHBondContact O-N 3.36Å; L171-L173 PolarHBondContact O-N 2.95Å; L171-G174 PolarHBondContact O-N 3.45Å; L171-K176 HydrophobicContact CD2-CB 4.21Å; L171-I179 HydrophobicContact CD2-CD1 4.25Å; L171-E202 HydrophobicContact CD1-CB 3.92Å; L171-V203 HydrophobicContact CD1-CB 4.36Å; L171-V203 HydrophobicContact CD1-CG2 3.65Å; L171-I206 HydrophobicContact CD1-CD1 3.5Å; L171-I206 HydrophobicContact CD1-CG1 4.48Å; L171-I206 HydrophobicContact CD2-CD1 3.11Å; L171-I206 HydrophobicContact CG-CD1 3.9Å
172S86.5Confident92.8Very high66 Ų6633 Ų3346%0.46218%0.179SC..Hα-helixtrans-59.3-36.7177.582.40000111.9D168 E169 G174D168-S172 PolarHBondContact O-N 3.04Å; E169-S172 VanDerWaalsContact CD-OG 3.29Å; E169-S172 PolarHBondContact O-N 3.48Å; E169-S172 VanDerWaalsContact O-N 3.13Å; E169-S172 PolarHBondContact O-OG 3.45Å; E169-S172 PolarHBondContact OE2-OG 3.02Å; S172-G174 PolarHBondContact O-N 3.45Å
173L86.5Confident92.6Very high78 Ų7834.6 Ų34.641%0.40819%0.186SC..THydrogen-bonded Turntrans-78.91.7176.3-65.9177.2000113.8P92 E169 L171 F175P92-L173 HydrophobicContact CB-CD1 3.83Å; E169-L173 HydrophobicContact CG-CD1 3.79Å; E169-L173 HydrophobicContact CG-CG 4.09Å; E169-L173 WeakPolarHBondContact O-CB 3.34Å; E169-L173 WeakPolarHBondContact O-CG 3.32Å; E169-L173 PolarHBondContact O-N 2.95Å; L171-L173 PolarHBondContact O-N 2.95Å; L173-F175 HydrophobicContact CB-CD2 3.87Å; L173-F175 HydrophobicContact CB-CE2 3.79Å; L173-F175 HydrophobicContact CD1-CD2 4.42Å; L173-F175 HydrophobicContact CD1-CE2 3.84Å; L173-F175 HydrophobicContact CG-CE2 4.5Å
174G91.4Very high92.4Very high46 Ų4642.8 Ų42.847%0.47422%0.217SC..THydrogen-bonded Turntrans78.517.7177.500000114.7L171 S172 K176 Q178L171-G174 PolarHBondContact O-N 3.45Å; S172-G174 PolarHBondContact O-N 3.45Å; G174-K176 PolarHBondContact O-N 3.05Å; G174-Q178 PolarHBondContact O-OE1 3.08Å
175F92.7Very high92.4Very high45 Ų4544.2 Ų44.220%0.19723%0.227CC..THydrogen-bonded Turntrans-78.49.2177.7-63.4-54.6000114.6P142 M170 L173 D177 Q178 I179P142-F175 HydrophobicContact CB-CB 4.03Å; P142-F175 HydrophobicContact CB-CD1 4.06Å; P142-F175 HydrophobicContact CB-CG 4.04Å; P142-F175 HydrophobicContact CG-CB 3.86Å; P142-F175 HydrophobicContact CG-CD1 4.26Å; P142-F175 HydrophobicContact CG-CD2 4.01Å; P142-F175 HydrophobicContact CG-CG 3.81Å; M170-F175 HydrophobicContact CB-CB 4.3Å; M170-F175 HydrophobicContact CB-CD2 4.24Å; M170-F175 HydrophobicContact CG-CD2 4.41Å; M170-F175 WeakPolarHBondContact O-CA 2.96Å; M170-F175 VanDerWaalsContact O-CB 3.23Å; M170-F175 WeakPolarHBondContact O-CB 3.49Å; M170-F175 PolarHBondContact O-N 3.28Å; L173-F175 HydrophobicContact CB-CD2 3.87Å; L173-F175 HydrophobicContact CB-CE2 3.79Å; L173-F175 HydrophobicContact CD1-CD2 4.42Å; L173-F175 HydrophobicContact CD1-CE2 3.84Å; L173-F175 HydrophobicContact CG-CE2 4.5Å; F175-D177 PolarHBondContact O-N 2.89Å; F175-Q178 VanDerWaalsContact CA-OE1 3.27Å; F175-Q178 PolarHBondContact O-N 2.95Å; F175-Q178 PolarHBondContact O-OE1 3.12Å; F175-I179 HydrophobicContact CB-CD1 4.25Å; F175-I179 HydrophobicContact CB-CG1 4.49Å; F175-I179 WeakPolarHBondContact O-CB 3.2Å; F175-I179 VanDerWaalsContact O-CG1 3.28Å; F175-I179 WeakPolarHBondContact O-CG1 3.41Å; F175-I179 PolarHBondContact O-N 2.69Å
176K93Very high92.4Very high103 Ų10344.9 Ų44.945%0.44823%0.231SC..Hα-helixtrans-52.1-53.9-177.9179.1175.7179.1-178.20111.2L171 G174 Q178 I179 Q180 I206L171-K176 HydrophobicContact CD2-CB 4.21Å; G174-K176 PolarHBondContact O-N 3.05Å; K176-Q178 PolarHBondContact O-N 3.23Å; K176-I179 PolarHBondContact O-N 3.36Å; K176-Q180 VanDerWaalsContact O-CG 3.3Å; K176-Q180 WeakPolarHBondContact O-CG 3.36Å; K176-Q180 PolarHBondContact O-N 3.03Å; K176-I206 HydrophobicContact CD-CD1 4.42Å; K176-I206 HydrophobicContact CG-CD1 3.97Å
177D93.8Very high92.5Very high108 Ų10847.5 Ų47.558%0.57825%0.245SC*.Hα-helixtrans-64.8-41.9-174.4-66.4-22.6000111.8F175 I179 Q180 E181F175-D177 PolarHBondContact O-N 2.89Å; D177-I179 PolarHBondContact O-N 3.13Å; D177-Q180 PolarHBondContact O-N 3.38Å; D177-E181 PolarHBondContact O-N 2.96Å
178Q95.7Very high92.4Very high60 Ų6052.6 Ų52.628%0.2828%0.28SS..Hα-helixtrans-63.6-41.4176.6-63.782.4-4.500111.4P142 L146 G174 F175 K176 Q180 E181 I182P142-Q178 HydrophobicContact CB-CB 3.96Å; L146-Q178 HydrophobicContact CD2-CB 4.01Å; L146-Q178 HydrophobicContact CD2-CG 3.88Å; G174-Q178 PolarHBondContact O-OE1 3.08Å; F175-Q178 VanDerWaalsContact CA-OE1 3.27Å; F175-Q178 PolarHBondContact O-N 2.95Å; F175-Q178 PolarHBondContact O-OE1 3.12Å; K176-Q178 PolarHBondContact O-N 3.23Å; Q178-Q180 VanDerWaalsContact C-N 3.34Å; Q178-Q180 PolarHBondContact O-N 2.8Å; Q178-E181 PolarHBondContact O-N 3.45Å; Q178-I182 WeakPolarHBondContact O-CB 3.42Å; Q178-I182 VanDerWaalsContact O-CG1 3.22Å; Q178-I182 WeakPolarHBondContact O-CG1 3.25Å; Q178-I182 PolarHBondContact O-N 3.04Å
179I95Very high92.5Very high3 Ų357.3 Ų57.32%0.01531%0.314CS..Hα-helixtrans-61.7-43.3175.2-70.6165.8000110.6L90 P142 L164 M170 L171 F175 K176 D177 E181 F183L90-I179 HydrophobicContact CD1-CG1 4.08Å; P142-I179 HydrophobicContact CG-CG1 4.34Å; L164-I179 HydrophobicContact CD1-CG2 4.34Å; L164-I179 HydrophobicContact CD2-CD1 4.49Å; L164-I179 HydrophobicContact CD2-CG1 4.46Å; L164-I179 HydrophobicContact CD2-CG2 4.15Å; M170-I179 HydrophobicContact CB-CD1 3.69Å; M170-I179 HydrophobicContact CE-CD1 4.29Å; M170-I179 HydrophobicContact CG-CD1 4.5Å; M170-I179 HydrophobicContact SD-CD1 4.09Å; L171-I179 HydrophobicContact CD2-CD1 4.25Å; F175-I179 HydrophobicContact CB-CD1 4.25Å; F175-I179 HydrophobicContact CB-CG1 4.49Å; F175-I179 WeakPolarHBondContact O-CB 3.2Å; F175-I179 VanDerWaalsContact O-CG1 3.28Å; F175-I179 WeakPolarHBondContact O-CG1 3.41Å; F175-I179 PolarHBondContact O-N 2.69Å; K176-I179 PolarHBondContact O-N 3.36Å; D177-I179 PolarHBondContact O-N 3.13Å; I179-E181 VanDerWaalsContact C-N 3.34Å; I179-E181 PolarHBondContact O-N 3.46Å; I179-F183 WeakPolarHBondContact O-CB 3.33Å; I179-F183 PolarHBondContact O-N 2.73Å
180Q93.9Very high92.9Very high35 Ų3557.5 Ų57.516%0.16432%0.315CS..Hα-helixtrans-63.6-40.8177.9-61.5-163.1-1700111.9K176 D177 Q178 F183 R184 F210K176-Q180 VanDerWaalsContact O-CG 3.3Å; K176-Q180 WeakPolarHBondContact O-CG 3.36Å; K176-Q180 PolarHBondContact O-N 3.03Å; D177-Q180 PolarHBondContact O-N 3.38Å; Q178-Q180 VanDerWaalsContact C-N 3.34Å; Q178-Q180 PolarHBondContact O-N 2.8Å; Q180-F183 PolarHBondContact O-N 3.25Å; Q180-R184 VanDerWaalsContact O-CG 3.3Å; Q180-R184 WeakPolarHBondContact O-CG 3.19Å; Q180-R184 PolarHBondContact O-N 3.21Å; Q180-R184 VanDerWaalsContact OE1-NH2 3.16Å; Q180-F210 HydrophobicContact CB-CZ 4.12Å; Q180-F210 HydrophobicContact CG-CE2 4.22Å; Q180-F210 HydrophobicContact CG-CZ 3.8Å
181E95.4Very high93.1Very high94 Ų9457.9 Ų57.944%0.43932%0.317SS..Hα-helixtrans-68.1-45179.2-166174.4165.500111.9L146 D177 Q178 I179 F183 R184 S185L146-E181 HydrophobicContact CD1-CB 4Å; L146-E181 HydrophobicContact CD1-CG 3.69Å; L146-E181 HydrophobicContact CD2-CB 4.25Å; L146-E181 HydrophobicContact CD2-CG 4.4Å; L146-E181 WeakPolarHBondContact CD2-OE2 3.33Å; D177-E181 PolarHBondContact O-N 2.96Å; Q178-E181 PolarHBondContact O-N 3.45Å; I179-E181 VanDerWaalsContact C-N 3.34Å; I179-E181 PolarHBondContact O-N 3.46Å; E181-F183 VanDerWaalsContact C-N 3.3Å; E181-F183 PolarHBondContact O-N 3.35Å; E181-R184 PolarHBondContact O-N 2.65Å; E181-S185 PolarHBondContact O-N 2.73Å
182I96.7Very high93.4Very high0 Ų057.3 Ų57.30%031%0.314CS..Hα-helixtrans-56.1-49.2171.9-68.3166.3000109.3L88 L90 P142 V145 L146 I149 F162 Q178 R184 S185 L186L88-I182 HydrophobicContact CD2-CG2 3.74Å; L90-I182 HydrophobicContact CD1-CD1 3.75Å; L90-I182 HydrophobicContact CD1-CG2 4.49Å; L90-I182 HydrophobicContact CD2-CD1 4.16Å; P142-I182 HydrophobicContact CB-CD1 4.3Å; V145-I182 HydrophobicContact CB-CD1 4.18Å; V145-I182 HydrophobicContact CG1-CD1 3.9Å; V145-I182 HydrophobicContact CG1-CG1 4.36Å; L146-I182 HydrophobicContact CB-CD1 4.17Å; L146-I182 HydrophobicContact CB-CG1 3.97Å; L146-I182 HydrophobicContact CD1-CG1 4.08Å; I149-I182 HydrophobicContact CD1-CG1 4.2Å; I149-I182 HydrophobicContact CD1-CG2 4.07Å; F162-I182 HydrophobicContact CE2-CG2 3.94Å; F162-I182 HydrophobicContact CZ-CG2 4.03Å; Q178-I182 WeakPolarHBondContact O-CB 3.42Å; Q178-I182 VanDerWaalsContact O-CG1 3.22Å; Q178-I182 WeakPolarHBondContact O-CG1 3.25Å; Q178-I182 PolarHBondContact O-N 3.04Å; I182-R184 VanDerWaalsContact C-N 3.33Å; I182-R184 PolarHBondContact O-N 3.07Å; I182-S185 WeakPolarHBondContact O-CB 3.46Å; I182-S185 PolarHBondContact O-N 2.53Å; I182-S185 PolarHBondContact O-OG 3.32Å; I182-L186 WeakPolarHBondContact O-CG 3.25Å; I182-L186 PolarHBondContact O-N 3.41Å
183F93.7Very high93.9Very high38 Ų3854.3 Ų54.317%0.16729%0.293CS..Hα-helixtrans-58.3-43.2-179.8-176.6-94.5000112.8F162 I179 Q180 E181 S185 L186 V190 I192 F210F162-F183 HydrophobicContact CD1-CD2 4.23Å; F162-F183 HydrophobicContact CE1-CD2 4.27Å; I179-F183 WeakPolarHBondContact O-CB 3.33Å; I179-F183 PolarHBondContact O-N 2.73Å; Q180-F183 PolarHBondContact O-N 3.25Å; E181-F183 VanDerWaalsContact C-N 3.3Å; E181-F183 PolarHBondContact O-N 3.35Å; F183-S185 PolarHBondContact O-N 3.35Å; F183-L186 HydrophobicContact CD2-CD1 4.26Å; F183-L186 WeakPolarHBondContact O-CB 3.49Å; F183-L186 PolarHBondContact O-N 3.13Å; F183-V190 HydrophobicContact CE2-CG1 4Å; F183-I192 HydrophobicContact CD2-CD1 4.14Å; F183-I192 HydrophobicContact CE2-CD1 3.32Å; F183-I192 HydrophobicContact CE2-CG1 4.12Å; F183-I192 HydrophobicContact CZ-CD1 3.95Å; F183-F210 HydrophobicContact CB-CD1 4.44Å; F183-F210 HydrophobicContact CB-CE1 4.31Å; F183-F210 HydrophobicContact CB-CZ 4.43Å; F183-F210 HydrophobicContact CD1-CB 4.28Å; F183-F210 AromaticContact CD1-CD1 3.03Å; F183-F210 HydrophobicContact CD1-CD1 3.03Å; F183-F210 AromaticContact CD1-CE1 3.32Å; F183-F210 HydrophobicContact CD1-CE1 3.32Å; F183-F210 AromaticContact CD1-CG 3.74Å; F183-F210 HydrophobicContact CD1-CG 3.74Å; F183-F210 HydrophobicContact CD1-CZ 4.22Å; F183-F210 HydrophobicContact CD2-CB 4.11Å; F183-F210 HydrophobicContact CD2-CD1 4.25Å; F183-F210 HydrophobicContact CD2-CG 4.12Å; F183-F210 HydrophobicContact CE1-CB 3.95Å; F183-F210 AromaticContact CE1-CD1 3.15Å; F183-F210 HydrophobicContact CE1-CD1 3.15Å; F183-F210 AromaticContact CE1-CE1 3.85Å; F183-F210 HydrophobicContact CE1-CE1 3.85Å; F183-F210 AromaticContact CE1-CG 3.84Å; F183-F210 HydrophobicContact CE1-CG 3.84Å; F183-F210 HydrophobicContact CE2-CB 3.81Å; F183-F210 HydrophobicContact CE2-CD1 4.36Å; F183-F210 HydrophobicContact CE2-CG 4.24Å; F183-F210 HydrophobicContact CG-CB 4.34Å; F183-F210 AromaticContact CG-CD1 3.62Å; F183-F210 HydrophobicContact CG-CD1 3.62Å; F183-F210 HydrophobicContact CG-CD2 4.39Å; F183-F210 AromaticContact CG-CE1 3.92Å; F183-F210 HydrophobicContact CG-CE1 3.92Å; F183-F210 AromaticContact CG-CG 3.87Å; F183-F210 HydrophobicContact CG-CG 3.87Å; F183-F210 HydrophobicContact CG-CZ 4.43Å; F183-F210 HydrophobicContact CZ-CB 3.68Å; F183-F210 AromaticContact CZ-CD1 3.83Å; F183-F210 HydrophobicContact CZ-CD1 3.83Å; F183-F210 HydrophobicContact CZ-CG 4.07Å
184R93.7Very high94.3Very high172 Ų17250.7 Ų50.765%0.64927%0.274SS*.Hα-helixtrans-61.8-23.8177.5-72.9172.8-167.3138.78113.2Q180 E181 I182Q180-R184 VanDerWaalsContact O-CG 3.3Å; Q180-R184 WeakPolarHBondContact O-CG 3.19Å; Q180-R184 PolarHBondContact O-N 3.21Å; Q180-R184 VanDerWaalsContact OE1-NH2 3.16Å; E181-R184 PolarHBondContact O-N 2.65Å; I182-R184 VanDerWaalsContact C-N 3.33Å; I182-R184 PolarHBondContact O-N 3.07Å
185S95.1Very high94.4Very high36 Ų3648.5 Ų48.525%0.25225%0.252SS..Hα-helixtrans-82.3-12176.278.20000113.9T156 E181 I182 F183T156-S185 WeakPolarHBondContact CB-O 3.46Å; T156-S185 PolarHBondContact OG1-O 3.3Å; E181-S185 PolarHBondContact O-N 2.73Å; I182-S185 WeakPolarHBondContact O-CB 3.46Å; I182-S185 PolarHBondContact O-N 2.53Å; I182-S185 PolarHBondContact O-OG 3.32Å; F183-S185 PolarHBondContact O-N 3.35Å
186L95.6Very high94.3Very high16 Ų1646.4 Ų46.48%0.08424%0.242CC..SBendtrans-85.4160.3-179.7-57.3176.1000111.7L88 T156 I159 F162 I182 F183 V190L88-L186 HydrophobicContact CD2-CD2 4.42Å; T156-L186 HydrophobicContact CG2-CD2 4.13Å; I159-L186 HydrophobicContact CB-CD2 4.21Å; I159-L186 HydrophobicContact CD1-CD2 3.71Å; I159-L186 HydrophobicContact CG2-CD2 4.13Å; F162-L186 HydrophobicContact CB-CD1 3.79Å; F162-L186 HydrophobicContact CD1-CD1 3.74Å; F162-L186 HydrophobicContact CD2-CD1 3.79Å; F162-L186 HydrophobicContact CE1-CD1 4.22Å; F162-L186 HydrophobicContact CE2-CD1 4.25Å; F162-L186 HydrophobicContact CG-CD1 3.5Å; F162-L186 VanDerWaalsContact CG-CD1 3.5Å; F162-L186 HydrophobicContact CZ-CD1 4.45Å; I182-L186 WeakPolarHBondContact O-CG 3.25Å; I182-L186 PolarHBondContact O-N 3.41Å; F183-L186 HydrophobicContact CD2-CD1 4.26Å; F183-L186 WeakPolarHBondContact O-CB 3.49Å; F183-L186 PolarHBondContact O-N 3.13Å; L186-V190 HydrophobicContact CB-CB 4.45Å; L186-V190 HydrophobicContact CB-CG1 4.1Å; L186-V190 HydrophobicContact CD1-CG1 4.24Å; L186-V190 HydrophobicContact CD1-CG2 4.37Å
187N92.1Very high93.8Very high61 Ų6141.6 Ų41.633%0.32622%0.222SC..  trans-64.3146.3172.9-71.5-40.7000112.1Q157 S189 V190Q157-N187 VanDerWaalsContact C-ND2 3.3Å; Q157-N187 PolarHBondContact O-ND2 3.01Å; N187-S189 PolarHBondContact O-N 3.01Å; N187-S189 VanDerWaalsContact O-N 3.08Å; N187-V190 VanDerWaalsContact O-CB 3.32Å; N187-V190 WeakPolarHBondContact O-CB 3.24Å; N187-V190 VanDerWaalsContact O-CG1 3.26Å; N187-V190 WeakPolarHBondContact O-CG1 3.36Å; N187-V190 PolarHBondContact O-N 3.21Å
188S89.5Confident93.3Very high112 Ų11236.8 Ų36.878%0.78320%0.196SC*.THydrogen-bonded Turntrans-61.6-19178.363.80000115.2
189S91.9Very high92.9Very high105 Ų10535.2 Ų35.273%0.73419%0.19SC*.THydrogen-bonded Turntrans-96.98.5178.465.30000113.6N187 Q191N187-S189 PolarHBondContact O-N 3.01Å; N187-S189 VanDerWaalsContact O-N 3.08Å; S189-Q191 PolarHBondContact O-N 3Å
190V95.6Very high92.5Very high11 Ų1136.6 Ų36.67%0.06720%0.199CC..  trans-62.8132.7-179.872.80000110.5I159 F162 F183 L186 N187 I192I159-V190 HydrophobicContact CG2-CG2 4.14Å; F162-V190 HydrophobicContact CB-CG2 3.86Å; F183-V190 HydrophobicContact CE2-CG1 4Å; L186-V190 HydrophobicContact CB-CB 4.45Å; L186-V190 HydrophobicContact CB-CG1 4.1Å; L186-V190 HydrophobicContact CD1-CG1 4.24Å; L186-V190 HydrophobicContact CD1-CG2 4.37Å; N187-V190 VanDerWaalsContact O-CB 3.32Å; N187-V190 WeakPolarHBondContact O-CB 3.24Å; N187-V190 VanDerWaalsContact O-CG1 3.26Å; N187-V190 WeakPolarHBondContact O-CG1 3.36Å; N187-V190 PolarHBondContact O-N 3.21Å; V190-I192 HydrophobicContact CG1-CG1 4.36Å
191Q96.9Very high92.1Very high9 Ų941 Ų414%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-73138.1168.3-179.3-168.417.900109.2S50 R54 Q77 K160 F162 S189 I193S50-Q191 PolarHBondContact O-NE2 3.34Å; R54-Q191 WeakPolarHBondContact O-CG 3.15Å; R54-Q191 PolarHBondContact O-NE2 3.46Å; Q77-Q191 VanDerWaalsContact OE1-OE1 3.13Å; K160-Q191 WeakPolarHBondContact O-CB 3.49Å; K160-Q191 PolarHBondContact O-N 3.49Å; F162-Q191 PolarHBondContact N-O 3.24Å; S189-Q191 PolarHBondContact O-N 3Å; Q191-I193 HydrophobicContact CG-CG1 4.44Å
192I96.6Very high91.7Very high5 Ų542.5 Ų42.53%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-117127.8177.4-46.2175.7000109.9N55 V56 F162 F183 V190 F210 M211N55-I192 CarbonylContact C-O 3.6Å; N55-I192 VanDerWaalsContact CA-O 3.24Å; N55-I192 WeakPolarHBondContact CA-O 3.42Å; N55-I192 PolarHBondContact OD1-N 2.92Å; V56-I192 PolarHBondContact N-O 3.37Å; F162-I192 HydrophobicContact CD1-CG2 4.25Å; F162-I192 CarbonylContact O-C 3.58Å; F162-I192 VanDerWaalsContact O-CA 3.28Å; F162-I192 WeakPolarHBondContact O-CA 3.36Å; F183-I192 HydrophobicContact CD2-CD1 4.14Å; F183-I192 HydrophobicContact CE2-CD1 3.32Å; F183-I192 HydrophobicContact CE2-CG1 4.12Å; F183-I192 HydrophobicContact CZ-CD1 3.95Å; V190-I192 HydrophobicContact CG1-CG1 4.36Å; I192-F210 HydrophobicContact CD1-CB 3.67Å; I192-F210 WeakPolarHBondContact CD1-O 3.45Å; I192-M211 HydrophobicContact CB-CE 3.67Å; I192-M211 HydrophobicContact CB-CG 4.06Å; I192-M211 HydrophobicContact CD1-CG 3.9Å; I192-M211 HydrophobicContact CG2-CE 3.63Å; I192-M211 HydrophobicContact CG2-CG 4.17Å; I192-M211 HydrophobicContact CG2-SD 4.49Å; I192-M211 WeakPolarHBondContact O-CE 3.43Å
193I96.8Very high91.4Very high3 Ų342.6 Ų42.62%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-118.1117.6172.3-52.3176.6000107.8V56 F70 A73 F162 V163 L164 Q191 L195V56-I193 HydrophobicContact CB-CG2 4.32Å; V56-I193 CarbonylContact O-C 3.53Å; V56-I193 WeakPolarHBondContact O-CA 3.42Å; F70-I193 HydrophobicContact CB-CG2 4.43Å; A73-I193 HydrophobicContact CB-CD1 4.15Å; F162-I193 PolarHBondContact O-N 3.26Å; V163-I193 CarbonylContact C-O 3.59Å; V163-I193 VanDerWaalsContact CA-O 3.26Å; V163-I193 WeakPolarHBondContact CA-O 3.3Å; V163-I193 HydrophobicContact CG1-CB 4.41Å; V163-I193 HydrophobicContact CG2-CB 4.09Å; V163-I193 HydrophobicContact CG2-CD1 4.35Å; L164-I193 PolarHBondContact N-O 3.37Å; Q191-I193 HydrophobicContact CG-CG1 4.44Å; I193-L195 HydrophobicContact CG2-CD1 3.58Å; I193-L195 HydrophobicContact CG2-CG 4.27Å
194L95.7Very high91.1Very high2 Ų242.6 Ų42.61%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-111.5120.5179.3-170.9163.1000108.6V56 I57 A58 L164 A167 I199 V203 M211V56-L194 PolarHBondContact O-N 3.07Å; I57-L194 WeakPolarHBondContact CA-O 3.47Å; I57-L194 HydrophobicContact CG1-CB 4.45Å; I57-L194 HydrophobicContact CG2-CD2 4.4Å; A58-L194 PolarHBondContact N-O 3.48Å; L164-L194 HydrophobicContact CB-CG 4.41Å; L164-L194 HydrophobicContact CD1-CD1 4.41Å; A167-L194 HydrophobicContact CB-CD1 4.16Å; A167-L194 HydrophobicContact CB-CD2 3.67Å; A167-L194 HydrophobicContact CB-CG 3.72Å; L194-I199 HydrophobicContact CD2-CD1 4.01Å; L194-V203 HydrophobicContact CD1-CG1 3.86Å; L194-V203 HydrophobicContact CD2-CG1 3.74Å; L194-V203 HydrophobicContact CG-CG1 4.43Å; L194-M211 HydrophobicContact CB-CE 4.03Å; L194-M211 HydrophobicContact CB-SD 4.5Å
195L93.7Very high90.8Very high1 Ų138.4 Ų38.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-119.3137.5175.5-55.196.7000110.7A58 K66 F70 V163 L164 E166 A167 I193A58-L195 HydrophobicContact CB-CD2 4.31Å; A58-L195 HydrophobicContact CB-CG 4.27Å; A58-L195 WeakPolarHBondContact O-CA 3.3Å; K66-L195 HydrophobicContact CB-CD2 3.92Å; K66-L195 HydrophobicContact CD-CB 4.41Å; K66-L195 HydrophobicContact CG-CD2 4.2Å; F70-L195 HydrophobicContact CB-CD1 4Å; F70-L195 HydrophobicContact CD1-CD1 3.49Å; F70-L195 VanDerWaalsContact CD1-CD1 3.49Å; F70-L195 HydrophobicContact CD1-CD2 3.97Å; F70-L195 HydrophobicContact CD1-CG 4.34Å; F70-L195 HydrophobicContact CE1-CD1 4.26Å; F70-L195 HydrophobicContact CG-CD1 4.08Å; V163-L195 HydrophobicContact CG1-CD1 3.7Å; L164-L195 PolarHBondContact O-N 2.74Å; E166-L195 WeakPolarHBondContact CA-O 3.28Å; E166-L195 PolarHBondContact N-O 3.23Å; A167-L195 PolarHBondContact N-O 3.02Å; I193-L195 HydrophobicContact CG2-CD1 3.58Å; I193-L195 HydrophobicContact CG2-CG 4.27Å
196S89.9Confident90.3Very high0 Ų037.1 Ų37.10%021%0.211CC..EExtended strand (participates in β ladder)trans-157.5161.5172178.40000111.7A58 Q59 A60 D168 T198A58-S196 PolarHBondContact O-N 2.99Å; A58-S196 VanDerWaalsContact O-N 3.15Å; Q59-S196 CarbonylContact C-O 3.11Å; Q59-S196 VanDerWaalsContact CA-O 3.29Å; Q59-S196 WeakPolarHBondContact CA-O 3.47Å; A60-S196 PolarHBondContact N-O 3.15Å; D168-S196 PolarHBondContact OD1-OG 3.17Å; D168-S196 PolarHBondContact OD2-OG 3.16Å; S196-T198 WeakPolarHBondContact CB-O 3.35Å; S196-T198 PolarHBondContact OG-N 2.91Å; S196-T198 VanDerWaalsContact OG-N 3.07Å; S196-T198 PolarHBondContact OG-O 3.41Å
197A82.9Confident89.9Confident2 Ų236.6 Ų36.62%0.01721%0.208CC..SBendtrans-76.9-32.8166.400000112.2Q59 A60 L224 I340 H341Q59-A197 WeakPolarHBondContact CG-O 3.38Å; Q59-A197 PolarHBondContact NE2-O 3.33Å; Q59-A197 VanDerWaalsContact NE2-O 3.13Å; A60-A197 VanDerWaalsContact O-CA 3.26Å; A60-A197 WeakPolarHBondContact O-CA 3.38Å; A197-L224 WeakPolarHBondContact O-CD2 3.48Å; A197-I340 HydrophobicContact CB-CD1 4.16Å; A197-H341 VanDerWaalsContact CB-CE1 3.47Å; A197-H341 WeakPolarHBondContact CB-CE1 3.5Å
198T83.1Confident89.7Confident8 Ų839.5 Ų39.55%0.04922%0.218CC..  trans-122.7146.6179.974.60000110.2D168 S196 P200 E337 I340D168-T198 WeakPolarHBondContact CB-OG1 3.3Å; D168-T198 VanDerWaalsContact CG-OG1 3.31Å; D168-T198 PolarHBondContact OD2-OG1 2.91Å; S196-T198 WeakPolarHBondContact CB-O 3.35Å; S196-T198 PolarHBondContact OG-N 2.91Å; S196-T198 VanDerWaalsContact OG-N 3.07Å; S196-T198 PolarHBondContact OG-O 3.41Å; T198-P200 WeakPolarHBondContact O-CD 3.5Å; T198-E337 HydrophobicContact CG2-CB 4.5Å; T198-E337 HydrophobicContact CG2-CG 4.46Å; T198-I340 HydrophobicContact CG2-CD1 3.61Å
199I87.4Confident89.5Confident27 Ų2740.2 Ų40.214%0.13821%0.209CC..  trans-124.971.4178.7-57.2-69000107.8I57 Q59 L194 V203 L204 L218I57-I199 HydrophobicContact CG2-CD1 4.12Å; Q59-I199 HydrophobicContact CB-CG1 3.92Å; Q59-I199 HydrophobicContact CG-CG1 3.95Å; L194-I199 HydrophobicContact CD2-CD1 4.01Å; I199-V203 HydrophobicContact CD1-CG1 3.98Å; I199-V203 HydrophobicContact CG2-CG1 4.31Å; I199-L204 HydrophobicContact CG2-CD1 4.36Å; I199-L204 HydrophobicContact CG2-CD2 3.41Å; I199-L204 VanDerWaalsContact CG2-CD2 3.41Å; I199-L204 HydrophobicContact CG2-CG 3.61Å; I199-L218 HydrophobicContact CG1-CD2 4.21Å
200P85.5Confident89.2Confident31 Ų3137 Ų3720%0.20118%0.181CC..  trans-65.5165.8174.527.9-34.3000110.6D168 T198 E202 V203 L204D168-P200 HydrophobicContact CB-CG 4.3Å; T198-P200 WeakPolarHBondContact O-CD 3.5Å; P200-E202 PolarHBondContact O-N 3.49Å; P200-E202 VanDerWaalsContact O-N 3.12Å; P200-V203 HydrophobicContact CG-CB 4.35Å; P200-V203 HydrophobicContact CG-CG2 3.81Å; P200-V203 WeakPolarHBondContact O-CB 3.28Å; P200-V203 PolarHBondContact O-N 3.33Å; P200-L204 PolarHBondContact O-N 2.94Å; P200-L204 VanDerWaalsContact O-N 3.13Å
201N87Confident88.9Confident128 Ų12837 Ų3768%0.68418%0.181SC*.Hα-helixtrans-54.7-34.5-179.4-75.2-30.4000112.5V203 L204 E205N201-V203 PolarHBondContact O-N 2.85Å; N201-L204 CarbonylContact O-C 3.48Å; N201-L204 WeakPolarHBondContact O-CB 3.22Å; N201-L204 PolarHBondContact O-N 3.18Å; N201-E205 WeakPolarHBondContact O-CG 3.47Å; N201-E205 PolarHBondContact O-N 3.42Å
202E87.1Confident88.4Confident126 Ų12646.2 Ų46.259%0.58922%0.215SC*.Hα-helixtrans-62.9-40.6178-61.6-173.7178.800113L171 P200 E205 I206L171-E202 HydrophobicContact CD1-CB 3.92Å; P200-E202 PolarHBondContact O-N 3.49Å; P200-E202 VanDerWaalsContact O-N 3.12Å; E202-E205 PolarHBondContact O-N 2.81Å; E202-I206 PolarHBondContact O-N 2.9Å
203V89.3Confident88.1Confident2 Ų252.1 Ų52.11%0.01225%0.247CC..Hα-helixtrans-65.6-42.2174.31740000110.2A167 D168 L171 L194 I199 P200 N201 I206 S207A167-V203 HydrophobicContact CB-CG1 4.32Å; D168-V203 HydrophobicContact CB-CG2 3.89Å; L171-V203 HydrophobicContact CD1-CB 4.36Å; L171-V203 HydrophobicContact CD1-CG2 3.65Å; L194-V203 HydrophobicContact CD1-CG1 3.86Å; L194-V203 HydrophobicContact CD2-CG1 3.74Å; L194-V203 HydrophobicContact CG-CG1 4.43Å; I199-V203 HydrophobicContact CD1-CG1 3.98Å; I199-V203 HydrophobicContact CG2-CG1 4.31Å; P200-V203 HydrophobicContact CG-CB 4.35Å; P200-V203 HydrophobicContact CG-CG2 3.81Å; P200-V203 WeakPolarHBondContact O-CB 3.28Å; P200-V203 PolarHBondContact O-N 3.33Å; N201-V203 PolarHBondContact O-N 2.85Å; V203-I206 PolarHBondContact O-N 3.02Å; V203-S207 WeakPolarHBondContact O-CB 3.41Å; V203-S207 PolarHBondContact O-N 2.81Å
204L88.1Confident87.9Confident38 Ų3853 Ų5320%0.19925%0.252CS..Hα-helixtrans-62.4-43.1175.1-69.1175.6000111.8I199 P200 N201 S207 K208I199-L204 HydrophobicContact CG2-CD1 4.36Å; I199-L204 HydrophobicContact CG2-CD2 3.41Å; I199-L204 VanDerWaalsContact CG2-CD2 3.41Å; I199-L204 HydrophobicContact CG2-CG 3.61Å; P200-L204 PolarHBondContact O-N 2.94Å; P200-L204 VanDerWaalsContact O-N 3.13Å; N201-L204 CarbonylContact O-C 3.48Å; N201-L204 WeakPolarHBondContact O-CB 3.22Å; N201-L204 PolarHBondContact O-N 3.18Å; L204-S207 PolarHBondContact O-N 3.43Å; L204-S207 PolarHBondContact O-OG 3.43Å; L204-K208 WeakPolarHBondContact O-CG 3.39Å; L204-K208 PolarHBondContact O-N 3.41Å
205E86.9Confident87.9Confident83 Ų8353.2 Ų53.239%0.38825%0.254SS..Hα-helixtrans-61.5-47.8178.2-75.2-52123.900111.1N201 E202 S207 K208 H209N201-E205 WeakPolarHBondContact O-CG 3.47Å; N201-E205 PolarHBondContact O-N 3.42Å; E202-E205 PolarHBondContact O-N 2.81Å; E205-S207 VanDerWaalsContact C-N 3.29Å; E205-S207 PolarHBondContact O-N 2.85Å; E205-K208 WeakPolarHBondContact O-CB 3.02Å; E205-K208 PolarHBondContact O-N 2.97Å; E205-K208 VanDerWaalsContact O-N 3.1Å; E205-K208 IonicContact OE1-NZ 2.66Å; E205-K208 PolarHBondContact OE1-NZ 3.45Å; E205-H209 PolarHBondContact O-N 3.01Å; E205-H209 PolarHBondContact O-ND1 3.5Å
206I84.8Confident87.8Confident10 Ų1057.3 Ų57.35%0.05127%0.269CS..Hα-helixtrans-60-41.5175.8-75.9177.4000111.5L171 K176 E202 V203 K208 H209 F210L171-I206 HydrophobicContact CD1-CD1 3.5Å; L171-I206 HydrophobicContact CD1-CG1 4.48Å; L171-I206 HydrophobicContact CD2-CD1 3.11Å; L171-I206 HydrophobicContact CG-CD1 3.9Å; K176-I206 HydrophobicContact CD-CD1 4.42Å; K176-I206 HydrophobicContact CG-CD1 3.97Å; E202-I206 PolarHBondContact O-N 2.9Å; V203-I206 PolarHBondContact O-N 3.02Å; I206-K208 VanDerWaalsContact C-N 3.3Å; I206-K208 PolarHBondContact O-N 2.91Å; I206-H209 PolarHBondContact O-N 3.17Å; I206-F210 HydrophobicContact CG2-CD2 3.79Å; I206-F210 HydrophobicContact CG2-CE2 3.83Å; I206-F210 WeakPolarHBondContact O-CD2 3.4Å; I206-F210 PolarHBondContact O-N 3.08Å
207S87.6Confident87.9Confident4 Ų457.3 Ų57.33%0.02827%0.269CS..Hα-helixtrans-60.5-38.2176.382.30000112.4V203 L204 E205 H209 F210 M211V203-S207 WeakPolarHBondContact O-CB 3.41Å; V203-S207 PolarHBondContact O-N 2.81Å; L204-S207 PolarHBondContact O-N 3.43Å; L204-S207 PolarHBondContact O-OG 3.43Å; E205-S207 VanDerWaalsContact C-N 3.29Å; E205-S207 PolarHBondContact O-N 2.85Å; S207-H209 VanDerWaalsContact C-N 3.32Å; S207-H209 PolarHBondContact O-N 2.83Å; S207-F210 PolarHBondContact O-N 3.15Å; S207-M211 WeakPolarHBondContact O-CA 3.23Å; S207-M211 WeakPolarHBondContact O-CB 3.48Å; S207-M211 WeakPolarHBondContact O-CG 3.41Å; S207-M211 PolarHBondContact O-N 3.34Å
208K88Confident88.1Confident122 Ų12259.2 Ų59.253%0.5328%0.279SS..Hα-helixtrans-66.5-31.9179.1-71.1170.6-171.8171.60113L204 E205 I206 F210L204-K208 WeakPolarHBondContact O-CG 3.39Å; L204-K208 PolarHBondContact O-N 3.41Å; E205-K208 WeakPolarHBondContact O-CB 3.02Å; E205-K208 PolarHBondContact O-N 2.97Å; E205-K208 VanDerWaalsContact O-N 3.1Å; E205-K208 IonicContact OE1-NZ 2.66Å; E205-K208 PolarHBondContact OE1-NZ 3.45Å; I206-K208 VanDerWaalsContact C-N 3.3Å; I206-K208 PolarHBondContact O-N 2.91Å; K208-F210 VanDerWaalsContact C-N 3.33Å
209H83.5Confident88Confident128 Ų12860.5 Ų60.559%0.59329%0.286SS*.Hα-helixtrans-72.7-29.1-179.8-72.378.9000112.3E205 I206 S207E205-H209 PolarHBondContact O-N 3.01Å; E205-H209 PolarHBondContact O-ND1 3.5Å; I206-H209 PolarHBondContact O-N 3.17Å; S207-H209 VanDerWaalsContact C-N 3.32Å; S207-H209 PolarHBondContact O-N 2.83Å
210F86.1Confident87.1Confident36 Ų3664.3 Ų64.316%0.15830%0.301CS..Hα-helixtrans-116.6-29-167.5-55.9-44000113.7Q180 F183 I192 I206 S207 K208Q180-F210 HydrophobicContact CB-CZ 4.12Å; Q180-F210 HydrophobicContact CG-CE2 4.22Å; Q180-F210 HydrophobicContact CG-CZ 3.8Å; F183-F210 HydrophobicContact CB-CD1 4.44Å; F183-F210 HydrophobicContact CB-CE1 4.31Å; F183-F210 HydrophobicContact CB-CZ 4.43Å; F183-F210 HydrophobicContact CD1-CB 4.28Å; F183-F210 AromaticContact CD1-CD1 3.03Å; F183-F210 HydrophobicContact CD1-CD1 3.03Å; F183-F210 AromaticContact CD1-CE1 3.32Å; F183-F210 HydrophobicContact CD1-CE1 3.32Å; F183-F210 AromaticContact CD1-CG 3.74Å; F183-F210 HydrophobicContact CD1-CG 3.74Å; F183-F210 HydrophobicContact CD1-CZ 4.22Å; F183-F210 HydrophobicContact CD2-CB 4.11Å; F183-F210 HydrophobicContact CD2-CD1 4.25Å; F183-F210 HydrophobicContact CD2-CG 4.12Å; F183-F210 HydrophobicContact CE1-CB 3.95Å; F183-F210 AromaticContact CE1-CD1 3.15Å; F183-F210 HydrophobicContact CE1-CD1 3.15Å; F183-F210 AromaticContact CE1-CE1 3.85Å; F183-F210 HydrophobicContact CE1-CE1 3.85Å; F183-F210 AromaticContact CE1-CG 3.84Å; F183-F210 HydrophobicContact CE1-CG 3.84Å; F183-F210 HydrophobicContact CE2-CB 3.81Å; F183-F210 HydrophobicContact CE2-CD1 4.36Å; F183-F210 HydrophobicContact CE2-CG 4.24Å; F183-F210 HydrophobicContact CG-CB 4.34Å; F183-F210 AromaticContact CG-CD1 3.62Å; F183-F210 HydrophobicContact CG-CD1 3.62Å; F183-F210 HydrophobicContact CG-CD2 4.39Å; F183-F210 AromaticContact CG-CE1 3.92Å; F183-F210 HydrophobicContact CG-CE1 3.92Å; F183-F210 AromaticContact CG-CG 3.87Å; F183-F210 HydrophobicContact CG-CG 3.87Å; F183-F210 HydrophobicContact CG-CZ 4.43Å; F183-F210 HydrophobicContact CZ-CB 3.68Å; F183-F210 AromaticContact CZ-CD1 3.83Å; F183-F210 HydrophobicContact CZ-CD1 3.83Å; F183-F210 HydrophobicContact CZ-CG 4.07Å; I192-F210 HydrophobicContact CD1-CB 3.67Å; I192-F210 WeakPolarHBondContact CD1-O 3.45Å; I206-F210 HydrophobicContact CG2-CD2 3.79Å; I206-F210 HydrophobicContact CG2-CE2 3.83Å; I206-F210 WeakPolarHBondContact O-CD2 3.4Å; I206-F210 PolarHBondContact O-N 3.08Å; S207-F210 PolarHBondContact O-N 3.15Å; K208-F210 VanDerWaalsContact C-N 3.33Å
211M90.6Very high86Confident13 Ų1369.7 Ų69.76%0.06432%0.324CS..  trans-101.1128.4-175-54.7178.6115.400111.5N55 V56 I57 I192 L194 S207 P214N55-M211 HydrophobicContact CB-CB 4.34Å; N55-M211 HydrophobicContact CB-CE 4.16Å; V56-M211 WeakPolarHBondContact O-CE 3.39Å; I57-M211 HydrophobicContact CD1-SD 3.82Å; I57-M211 HydrophobicContact CG1-CE 3.98Å; I57-M211 HydrophobicContact CG1-SD 3.5Å; I57-M211 VanDerWaalsContact CG1-SD 3.5Å; I192-M211 HydrophobicContact CB-CE 3.67Å; I192-M211 HydrophobicContact CB-CG 4.06Å; I192-M211 HydrophobicContact CD1-CG 3.9Å; I192-M211 HydrophobicContact CG2-CE 3.63Å; I192-M211 HydrophobicContact CG2-CG 4.17Å; I192-M211 HydrophobicContact CG2-SD 4.49Å; I192-M211 WeakPolarHBondContact O-CE 3.43Å; L194-M211 HydrophobicContact CB-CE 4.03Å; L194-M211 HydrophobicContact CB-SD 4.5Å; S207-M211 WeakPolarHBondContact O-CA 3.23Å; S207-M211 WeakPolarHBondContact O-CB 3.48Å; S207-M211 WeakPolarHBondContact O-CG 3.41Å; S207-M211 PolarHBondContact O-N 3.34Å; M211-P214 HydrophobicContact CB-CB 4.21Å; M211-P214 HydrophobicContact CB-CG 4.14Å; M211-P214 HydrophobicContact CE-CB 4.5Å; M211-P214 HydrophobicContact SD-CB 4.14Å; M211-P214 HydrophobicContact SD-CG 4.47Å
212R85.5Confident84.7Confident201 Ų20170.4 Ų70.476%0.75832%0.323SS*.SBendtrans-95.2123.6168.9-62.3179.9-176.3172.51.7109.4N55N55-R212 PolarHBondContact ND2-N 2.89Å; N55-R212 PolarHBondContact ND2-O 3.27Å
213N90Very high83.5Confident130 Ų13066.5 Ų66.570%0.69531%0.305SS*.SBendtrans42.758.5175.8-167.826.3000114.5
214P93.7Very high82.1Confident20 Ų2067 Ų6713%0.1331%0.307CS..  trans-69.1141-177.929.5-34.1000111.4N55 I57 M211 R216N55-P214 HydrophobicContact CB-CB 3.96Å; N55-P214 CarbonylContact O-C 3.6Å; N55-P214 VanDerWaalsContact O-CA 3.3Å; N55-P214 WeakPolarHBondContact O-CA 3.31Å; I57-P214 HydrophobicContact CD1-CB 4.02Å; I57-P214 HydrophobicContact CD1-CG 3.73Å; I57-P214 HydrophobicContact CG1-CB 4.01Å; I57-P214 HydrophobicContact CG1-CG 4.29Å; M211-P214 HydrophobicContact CB-CB 4.21Å; M211-P214 HydrophobicContact CB-CG 4.14Å; M211-P214 HydrophobicContact CE-CB 4.5Å; M211-P214 HydrophobicContact SD-CB 4.14Å; M211-P214 HydrophobicContact SD-CG 4.47Å; P214-R216 PolarHBondContact O-N 3.41Å
215V94.5Very high80.8Confident8 Ų866.3 Ų66.35%0.04830%0.304CS..EExtended strand (participates in β ladder)trans-64.6125.3161.4171.60000107.5Y11 P49 R54 N55 V56 I57 I217Y11-V215 HydrophobicContact CD2-CG2 4.2Å; Y11-V215 HydrophobicContact CG-CG1 4.14Å; P49-V215 HydrophobicContact CB-CB 4.34Å; P49-V215 HydrophobicContact CB-CG1 4.21Å; P49-V215 HydrophobicContact CB-CG2 4.06Å; P49-V215 HydrophobicContact CG-CG1 4.27Å; R54-V215 HydrophobicContact CB-CG2 4.18Å; N55-V215 PolarHBondContact O-N 2.76Å; V56-V215 CarbonylContact C-O 3.44Å; V56-V215 WeakPolarHBondContact CA-O 3.48Å; V56-V215 HydrophobicContact CG2-CB 4.36Å; I57-V215 PolarHBondContact N-O 3.01Å; V215-I217 HydrophobicContact CG1-CD1 4.35Å; V215-I217 HydrophobicContact CG1-CG1 4.07Å
216R92.7Very high79.8Confident86 Ų8663.1 Ų63.133%0.32529%0.29SS..EExtended strand (participates in β ladder)trans-107.4125.7178.3-61.5-178.7178.1176.7-1.5108.7S9 H10 I57 P214 L218S9-R216 VanDerWaalsContact CA-O 3.31Å; S9-R216 WeakPolarHBondContact CA-O 3.27Å; H10-R216 PolarHBondContact N-O 3.36Å; I57-R216 HydrophobicContact CD1-CG 4.48Å; I57-R216 WeakPolarHBondContact O-CA 3.13Å; P214-R216 PolarHBondContact O-N 3.41Å; R216-L218 HydrophobicContact CB-CD1 4.35Å; R216-L218 HydrophobicContact CB-CG 4.18Å
217I91.5Very high79Confident0 Ų070.4 Ų70.40%033%0.329CS..EExtended strand (participates in β ladder)trans-122.292175.4-56.4169.3000105.2I7 I42 R45 A46 P49 V56 I57 Q59 V215I7-I217 HydrophobicContact CG2-CG2 3.52Å; I42-I217 HydrophobicContact CD1-CG2 3.77Å; R45-I217 HydrophobicContact CB-CD1 4.09Å; R45-I217 HydrophobicContact CB-CG2 4.18Å; R45-I217 WeakPolarHBondContact O-CD1 3.3Å; A46-I217 VanDerWaalsContact CA-CD1 3.44Å; A46-I217 HydrophobicContact CB-CD1 3.56Å; P49-I217 HydrophobicContact CG-CD1 4.48Å; V56-I217 HydrophobicContact CG1-CD1 4.25Å; I57-I217 PolarHBondContact O-N 3.2Å; Q59-I217 PolarHBondContact N-O 2.61Å; V215-I217 HydrophobicContact CG1-CD1 4.35Å; V215-I217 HydrophobicContact CG1-CG1 4.07Å
218L88.1Confident78.3Confident43 Ų4371.6 Ų71.623%0.22534%0.342CS..EExtended strand (participates in β ladder)trans-112.3144.9-171.9-56179.1000110.8N8 I57 Q59 I199 R216N8-L218 PolarHBondContact N-O 2.99Å; N8-L218 PolarHBondContact O-N 2.92Å; N8-L218 VanDerWaalsContact O-N 3.15Å; I57-L218 HydrophobicContact CG2-CD2 4.17Å; Q59-L218 HydrophobicContact CB-CD2 4Å; I199-L218 HydrophobicContact CG1-CD2 4.21Å; R216-L218 HydrophobicContact CB-CD1 4.35Å; R216-L218 HydrophobicContact CB-CG 4.18Å
219L79.5Confident78Confident34 Ų3466.2 Ų66.218%0.17832%0.319CS..EExtended strand (participates in β ladder)trans-91150.1173-68.9171.2000109.4I7 Q59 Q61 L224I7-L219 HydrophobicContact CD1-CD2 4.46Å; I7-L219 HydrophobicContact CG1-CD2 3.73Å; Q59-L219 VanDerWaalsContact OE1-N 3.17Å; Q59-L219 PolarHBondContact OE1-O 2.74Å; Q61-L219 HydrophobicContact CG-CD1 4.35Å; L219-L224 HydrophobicContact CB-CD2 4.36Å; L219-L224 HydrophobicContact CD1-CD2 4.29Å
220K68.7Low78.2Confident107 Ų10764.9 Ų64.947%0.46531%0.308SS..  trans-68.4147.2166.6-68.6178.1-176.9168.60109.1E222 E223K220-E222 VanDerWaalsContact C-N 3.26Å; K220-E222 PolarHBondContact O-N 3.25Å; K220-E223 HydrophobicContact CB-CG 4.29Å; K220-E223 PolarHBondContact O-N 3.04Å
221Q63.3Low78.5Confident145 Ų14563.9 Ų63.968%0.67830%0.304SS*.G310 helixtrans-57-40.4-178.5-80.1178.4-25.700112.8E223 L224Q221-E223 PolarHBondContact O-N 3.42Å; Q221-E223 VanDerWaalsContact O-N 3.11Å; Q221-L224 HydrophobicContact CG-CD1 4.5Å; Q221-L224 WeakPolarHBondContact O-CB 3.25Å; Q221-L224 PolarHBondContact O-N 2.87Å; Q221-L224 VanDerWaalsContact O-N 3.08Å
222E58.9Low78.7Confident142 Ų14263.6 Ų63.666%0.66430%0.303SS*.G310 helixtrans-60-19.9178.3-63.2170.5-172.100113.2K220 T225K220-E222 VanDerWaalsContact C-N 3.26Å; K220-E222 PolarHBondContact O-N 3.25Å; E222-T225 PolarHBondContact O-OG1 3.45Å
223E61.8Low79.2Confident44 Ų4456.7 Ų56.721%0.20628%0.277CS..G310 helixtrans-101.94.8-177.3-60.5168.5-17700112.3N6 Q61 K220 Q221 T225N6-E223 WeakPolarHBondContact CA-OE1 3.44Å; N6-E223 VanDerWaalsContact CB-CD 3.4Å; N6-E223 WeakPolarHBondContact CB-OE1 3.46Å; N6-E223 VanDerWaalsContact CB-OE2 3.26Å; N6-E223 WeakPolarHBondContact CB-OE2 3.46Å; N6-E223 PolarHBondContact ND2-OE1 3.12Å; N6-E223 PolarHBondContact OD1-OE1 3.25Å; Q61-E223 PolarHBondContact NE2-O 3.17Å; K220-E223 HydrophobicContact CB-CG 4.29Å; K220-E223 PolarHBondContact O-N 3.04Å; Q221-E223 PolarHBondContact O-N 3.42Å; Q221-E223 VanDerWaalsContact O-N 3.11Å; E223-T225 PolarHBondContact O-N 3.02Å
224L60.9Low79.5Confident13 Ų1351.9 Ų51.97%0.06825%0.252CS..  trans-73.1-19.6173.7-67.8171.7000111.8Q61 A197 L219 Q221 Y374Q61-L224 PolarHBondContact NE2-O 3.12Å; A197-L224 WeakPolarHBondContact O-CD2 3.48Å; L219-L224 HydrophobicContact CB-CD2 4.36Å; L219-L224 HydrophobicContact CD1-CD2 4.29Å; Q221-L224 HydrophobicContact CG-CD1 4.5Å; Q221-L224 WeakPolarHBondContact O-CB 3.25Å; Q221-L224 PolarHBondContact O-N 2.87Å; Q221-L224 VanDerWaalsContact O-N 3.08Å; L224-Y374 HydrophobicContact CB-CD1 4.48Å
225T60.1Low79.5Confident23 Ų2353.6 Ų53.614%0.14126%0.261CS..SBendtrans-67.4138173.854.30000111.1Q61 E222 E223 D227 Y374Q61-T225 VanDerWaalsContact NE2-C 3.27Å; Q61-T225 PolarHBondContact NE2-O 2.98Å; E222-T225 PolarHBondContact O-OG1 3.45Å; E223-T225 PolarHBondContact O-N 3.02Å; T225-D227 PolarHBondContact O-N 3.46Å; T225-Y374 VanDerWaalsContact CG2-O 3.24Å; T225-Y374 WeakPolarHBondContact CG2-O 3.45Å
226L66Low79.5Confident17 Ų1753.4 Ų53.49%0.08926%0.259CS..  trans-86.5100.4-179.9-69.5160000108.7Q61 G228 I229Q61-L226 HydrophobicContact CB-CD2 3.93Å; Q61-L226 HydrophobicContact CG-CD2 4.16Å; L226-G228 PolarHBondContact O-N 2.78Å; L226-I229 HydrophobicContact CB-CB 4.22Å; L226-I229 HydrophobicContact CB-CD1 3.82Å; L226-I229 HydrophobicContact CB-CG1 3.76Å; L226-I229 HydrophobicContact CD1-CD1 3.48Å; L226-I229 VanDerWaalsContact CD1-CD1 3.48Å; L226-I229 HydrophobicContact CD1-CG1 4.34Å; L226-I229 HydrophobicContact CG-CD1 4.28Å; L226-I229 PolarHBondContact O-N 3.07Å
227D67.3Low79.5Confident163 Ų16353.8 Ų53.887%0.87227%0.265SS*.THydrogen-bonded Turntrans-53.5-21.4178.8-69-21000113.4T225T225-D227 PolarHBondContact O-N 3.46Å
228G74.1Confident79.6Confident28 Ų2857.7 Ų57.729%0.28928%0.283SS..THydrogen-bonded Turntrans-81-5.8175.600000115.5L226 K352 G353L226-G228 PolarHBondContact O-N 2.78Å; G228-K352 WeakPolarHBondContact O-CA 3.28Å; G228-G353 PolarHBondContact O-N 3.35Å
229I82Confident80Confident9 Ų959 Ų595%0.04629%0.288CS..EExtended strand (participates in β ladder)trans-114.5112.9-173.2-53.8-170.4000110.8L226 Q231 I343 G353 A355L226-I229 HydrophobicContact CB-CB 4.22Å; L226-I229 HydrophobicContact CB-CD1 3.82Å; L226-I229 HydrophobicContact CB-CG1 3.76Å; L226-I229 HydrophobicContact CD1-CD1 3.48Å; L226-I229 VanDerWaalsContact CD1-CD1 3.48Å; L226-I229 HydrophobicContact CD1-CG1 4.34Å; L226-I229 HydrophobicContact CG-CD1 4.28Å; L226-I229 PolarHBondContact O-N 3.07Å; I229-Q231 HydrophobicContact CG2-CG 4.29Å; I229-Q231 PolarHBondContact O-N 3.14Å; I229-I343 HydrophobicContact CD1-CG1 4.47Å; I229-I343 WeakPolarHBondContact CD1-O 3.06Å; I229-I343 HydrophobicContact CG2-CD1 4.46Å; I229-G353 WeakPolarHBondContact CA-O 3.4Å; I229-A355 HydrophobicContact CG2-CB 3.89Å
230R87.6Confident80.7Confident100 Ų10064.5 Ų64.538%0.37731%0.313SS..EExtended strand (participates in β ladder)trans-74.4123.5169.2-65.4-168-77.2-170-15.1109.1F232 G353 V354 A355 L388R230-F232 HydrophobicContact CB-CD2 4.33Å; R230-F232 HydrophobicContact CB-CE2 3.48Å; R230-F232 VanDerWaalsContact CB-CE2 3.48Å; R230-F232 HydrophobicContact CB-CZ 3.99Å; R230-G353 PolarHBondContact N-O 2.62Å; R230-V354 CarbonylContact O-C 3.59Å; R230-V354 WeakPolarHBondContact O-CA 3.49Å; R230-A355 PolarHBondContact O-N 2.94Å; R230-L388 VanDerWaalsContact NH2-CA 3.33Å; R230-L388 PolarHBondContact NH2-O 3.07Å
231Q91.7Very high82Confident16 Ų1664.9 Ų64.98%0.07531%0.311CS..EExtended strand (participates in β ladder)trans-108.1121.9-175.6-65.7160.870.100109.3I229 Y339 I343 A355 T376 I378 I379I229-Q231 HydrophobicContact CG2-CG 4.29Å; I229-Q231 PolarHBondContact O-N 3.14Å; Q231-Y339 PolarHBondContact OE1-OH 3.45Å; Q231-I343 HydrophobicContact CG-CD1 4.06Å; Q231-A355 HydrophobicContact CG-CB 4.38Å; Q231-T376 PolarHBondContact NE2-OG1 3.17Å; Q231-T376 VanDerWaalsContact NE2-OG1 3.13Å; Q231-T376 PolarHBondContact OE1-OG1 3.02Å; Q231-I378 HydrophobicContact CB-CB 4.49Å; Q231-I378 HydrophobicContact CB-CG1 4.12Å; Q231-I378 HydrophobicContact CB-CG2 4.3Å; Q231-I379 PolarHBondContact O-N 2.9Å; Q231-I379 VanDerWaalsContact O-N 3.12Å
232F94.3Very high83.6Confident6 Ų658.1 Ų58.13%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-122.7157.8179.4-59.8-84.8000111.7R230 V354 A355 I356 N357 I378 I379 L381 P382 L388R230-F232 HydrophobicContact CB-CD2 4.33Å; R230-F232 HydrophobicContact CB-CE2 3.48Å; R230-F232 VanDerWaalsContact CB-CE2 3.48Å; R230-F232 HydrophobicContact CB-CZ 3.99Å; F232-V354 HydrophobicContact CD2-CG1 3.71Å; F232-V354 HydrophobicContact CE2-CG1 3.91Å; F232-A355 PolarHBondContact N-O 3.23Å; F232-I356 HydrophobicContact CB-CG1 4.43Å; F232-I356 WeakPolarHBondContact O-CA 3.23Å; F232-N357 PolarHBondContact O-N 2.98Å; F232-N357 PolarHBondContact O-ND2 3.13Å; F232-I378 VanDerWaalsContact C-CG2 3.48Å; F232-I379 CarbonylContact C-O 3.56Å; F232-I379 WeakPolarHBondContact CA-O 3.05Å; F232-I379 HydrophobicContact CD1-CD1 3.89Å; F232-I379 HydrophobicContact CD1-CG1 3.57Å; F232-I379 HydrophobicContact CE1-CD1 3.36Å; F232-I379 HydrophobicContact CE1-CG1 3.62Å; F232-I379 HydrophobicContact CG-CG1 4.49Å; F232-I379 HydrophobicContact CZ-CD1 4.17Å; F232-L381 HydrophobicContact CB-CB 4.22Å; F232-L381 HydrophobicContact CB-CD1 3.7Å; F232-L381 HydrophobicContact CD1-CD1 4.03Å; F232-L381 HydrophobicContact CD2-CD1 4.1Å; F232-L381 HydrophobicContact CG-CD1 3.68Å; F232-P382 HydrophobicContact CE1-CG 4.28Å; F232-L388 HydrophobicContact CD2-CD1 4.49Å; F232-L388 HydrophobicContact CE1-CD1 4.45Å; F232-L388 HydrophobicContact CE1-CD2 4.13Å; F232-L388 HydrophobicContact CE2-CD1 4.07Å; F232-L388 HydrophobicContact CE2-CD2 3.87Å; F232-L388 HydrophobicContact CE2-CG 4.5Å; F232-L388 HydrophobicContact CZ-CD1 4.08Å; F232-L388 HydrophobicContact CZ-CD2 3.38Å; F232-L388 HydrophobicContact CZ-CG 4.36Å
233Y96.1Very high85.4Confident56 Ų5651.9 Ų51.922%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-125.7153.6164.175.3-93.2000111.6N235 N357 L367 I378 I379 E380 L381Y233-N235 HydrophobicContact CD2-CB 4.48Å; Y233-N235 HydrophobicContact CE2-CB 4.26Å; Y233-N357 CarbonylContact C-O 3.55Å; Y233-N357 WeakPolarHBondContact CA-O 3.41Å; Y233-L367 HydrophobicContact CD1-CD2 3.91Å; Y233-L367 HydrophobicContact CD2-CD2 4.46Å; Y233-L367 HydrophobicContact CE1-CD2 4.39Å; Y233-L367 HydrophobicContact CG-CD2 3.94Å; Y233-I378 HydrophobicContact CD1-CG2 4.13Å; Y233-I378 VanDerWaalsContact CD1-O 3.29Å; Y233-I378 WeakPolarHBondContact CD1-O 3.32Å; Y233-I378 WeakPolarHBondContact CE1-O 2.86Å; Y233-I379 PolarHBondContact N-O 2.75Å; Y233-E380 HydrophobicContact CE1-CB 3.96Å; Y233-E380 HydrophobicContact CE2-CB 4.15Å; Y233-E380 HydrophobicContact CE2-CG 3.96Å; Y233-L381 PolarHBondContact O-N 2.74Å
234V95.8Very high87Confident30 Ų3054.4 Ų54.418%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-119.1119.2166.8-176.10000107.1V236 T245 I356 N357 F358 V359 L381V234-V236 HydrophobicContact CG1-CG1 4.19Å; V234-V236 PolarHBondContact O-N 3.36Å; V234-T245 HydrophobicContact CB-CG2 4.45Å; V234-T245 HydrophobicContact CG1-CG2 3.75Å; V234-I356 HydrophobicContact CG2-CG2 3.91Å; V234-N357 PolarHBondContact N-O 2.66Å; V234-F358 HydrophobicContact CB-CD1 4Å; V234-F358 HydrophobicContact CB-CE1 4.22Å; V234-F358 HydrophobicContact CG2-CD1 4.31Å; V234-F358 HydrophobicContact CG2-CE1 4.15Å; V234-V359 PolarHBondContact O-N 3.02Å; V234-L381 HydrophobicContact CG2-CB 3.77Å; V234-L381 HydrophobicContact CG2-CD2 3.6Å; V234-L381 HydrophobicContact CG2-CG 4.31Å
235N94.5Very high88.6Confident56 Ų5655.4 Ų55.430%0.29927%0.269SS..EExtended strand (participates in β ladder)trans-78.4103.6172.9-177.212.4000108.4Y233 E237 V359Y233-N235 HydrophobicContact CD2-CB 4.48Å; Y233-N235 HydrophobicContact CE2-CB 4.26Å; N235-E237 VanDerWaalsContact C-N 3.33Å; N235-E237 PolarHBondContact OD1-N 2.96Å; N235-E237 VanDerWaalsContact OD1-N 3.12Å; N235-V359 WeakPolarHBondContact CA-O 3.38Å; N235-V359 PolarHBondContact OD1-O 2.67Å
236V95Very high90.3Very high4 Ų454.3 Ų54.32%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-89.3-5.3179.1-64.30000112V234 Q238 W241 K242 T245 F358 V359 T360V234-V236 HydrophobicContact CG1-CG1 4.19Å; V234-V236 PolarHBondContact O-N 3.36Å; V236-Q238 PolarHBondContact O-N 3.29Å; V236-W241 HydrophobicContact CB-CB 4.43Å; V236-K242 HydrophobicContact CB-CG 4.32Å; V236-K242 HydrophobicContact CG1-CG 4.31Å; V236-K242 HydrophobicContact CG2-CG 3.7Å; V236-T245 HydrophobicContact CG1-CG2 4Å; V236-F358 HydrophobicContact CG1-CB 4.38Å; V236-F358 HydrophobicContact CG1-CG 4.33Å; V236-V359 WeakPolarHBondContact CG2-O 3.38Å; V236-V359 PolarHBondContact N-O 3.39Å; V236-T360 HydrophobicContact CG2-CG2 3.99Å
237E91.9Very high91.5Very high93 Ų9353.8 Ų53.844%0.43526%0.26SS..EExtended strand (participates in β ladder)trans58.7-55.4-173.7-55.3-172.5175.200115.1N235 W241 L361N235-E237 VanDerWaalsContact C-N 3.33Å; N235-E237 PolarHBondContact OD1-N 2.96Å; N235-E237 VanDerWaalsContact OD1-N 3.12Å; E237-W241 HydrophobicContact CB-CE3 4.2Å; E237-W241 HydrophobicContact CB-CZ3 3.8Å; E237-W241 HydrophobicContact CG-CZ3 4.18Å; E237-L361 HydrophobicContact CB-CG 4.38Å; E237-L361 PolarHBondContact O-N 3.25Å
238Q94.7Very high92.6Very high83 Ų8350.4 Ų50.439%0.38824%0.242SC..SBendtrans-117.1148.5-176.4-56.5-176.14.700111.7V236 E240 W241V236-Q238 PolarHBondContact O-N 3.29Å; Q238-E240 VanDerWaalsContact C-N 3.28Å; Q238-E240 PolarHBondContact O-N 2.94Å; Q238-W241 HydrophobicContact CB-CD2 4.13Å; Q238-W241 HydrophobicContact CB-CG 4.3Å; Q238-W241 HydrophobicContact CG-CD2 4.44Å; Q238-W241 HydrophobicContact CG-CH2 4.3Å; Q238-W241 HydrophobicContact CG-CZ2 4.16Å; Q238-W241 PolarHBondContact O-N 3.26Å
239E95.3Very high93.4Very high71 Ų7149.5 Ų49.533%0.33223%0.231SC..THydrogen-bonded Turntrans-61.3-36.2-178.9179.562.5-165.100112.8W241 K242 K267E239-W241 PolarHBondContact O-N 2.93Å; E239-K242 WeakPolarHBondContact O-CB 3.21Å; E239-K242 PolarHBondContact O-N 3.41Å; E239-K242 IonicContact OE1-NZ 3.22Å; E239-K242 WeakPolarHBondContact OE2-CD 3.34Å; E239-K242 WeakPolarHBondContact OE2-CE 3.34Å; E239-K242 IonicContact OE2-NZ 3.52Å; E239-K242 PolarHBondContact OE2-NZ 3.38Å; E239-K267 WeakPolarHBondContact OE1-CE 3.42Å; E239-K267 IonicContact OE1-NZ 3.45Å; E239-K267 PolarHBondContact OE1-NZ 3.11Å
240E94.6Very high93.6Very high149 Ų14950.3 Ų50.370%0.69623%0.233SC*.THydrogen-bonded Turntrans-66.8-26.2-177.5-67.2142.5-141.800112.4Q238 K242Q238-E240 VanDerWaalsContact C-N 3.28Å; Q238-E240 PolarHBondContact O-N 2.94Å; E240-K242 VanDerWaalsContact C-N 3.32Å
241W96.5Very high93.4Very high115 Ų11552.8 Ų52.844%0.43625%0.249SC..Hα-helixtrans-82.4-11-177.9-59.8-6000113.1V236 E237 Q238 E239 L243 T245V236-W241 HydrophobicContact CB-CB 4.43Å; E237-W241 HydrophobicContact CB-CE3 4.2Å; E237-W241 HydrophobicContact CB-CZ3 3.8Å; E237-W241 HydrophobicContact CG-CZ3 4.18Å; Q238-W241 HydrophobicContact CB-CD2 4.13Å; Q238-W241 HydrophobicContact CB-CG 4.3Å; Q238-W241 HydrophobicContact CG-CD2 4.44Å; Q238-W241 HydrophobicContact CG-CH2 4.3Å; Q238-W241 HydrophobicContact CG-CZ2 4.16Å; Q238-W241 PolarHBondContact O-N 3.26Å; E239-W241 PolarHBondContact O-N 2.93Å; W241-L243 VanDerWaalsContact C-N 3.3Å; W241-L243 PolarHBondContact O-N 2.84Å; W241-T245 WeakPolarHBondContact O-CB 3.3Å; W241-T245 PolarHBondContact O-N 2.76Å; W241-T245 PolarHBondContact O-OG1 2.73Å
242K97.1Very high92.8Very high3 Ų355.9 Ų55.91%0.01327%0.269CS..Hα-helixtrans-59.5-39.2177.7-71.9-176.2170.8168.20112.9V236 E239 E240 L246 F330 D331 F358V236-K242 HydrophobicContact CB-CG 4.32Å; V236-K242 HydrophobicContact CG1-CG 4.31Å; V236-K242 HydrophobicContact CG2-CG 3.7Å; E239-K242 WeakPolarHBondContact O-CB 3.21Å; E239-K242 PolarHBondContact O-N 3.41Å; E239-K242 IonicContact OE1-NZ 3.22Å; E239-K242 WeakPolarHBondContact OE2-CD 3.34Å; E239-K242 WeakPolarHBondContact OE2-CE 3.34Å; E239-K242 IonicContact OE2-NZ 3.52Å; E239-K242 PolarHBondContact OE2-NZ 3.38Å; E240-K242 VanDerWaalsContact C-N 3.32Å; K242-L246 WeakPolarHBondContact O-CB 3.46Å; K242-L246 PolarHBondContact O-N 3.21Å; K242-F330 HydrophobicContact CB-CD1 4.49Å; K242-F330 HydrophobicContact CB-CE1 3.68Å; K242-F330 HydrophobicContact CB-CE2 3.78Å; K242-F330 HydrophobicContact CB-CZ 3.29Å; K242-F330 HydrophobicContact CD-CD1 3.84Å; K242-F330 HydrophobicContact CD-CE1 3.53Å; K242-F330 HydrophobicContact CD-CZ 4.08Å; K242-F330 VanDerWaalsContact CD-O 3.26Å; K242-F330 WeakPolarHBondContact CD-O 3.41Å; K242-F330 WeakPolarHBondContact CE-O 3.28Å; K242-F330 HydrophobicContact CG-CE1 4.26Å; K242-F330 HydrophobicContact CG-CZ 4.32Å; K242-F330 PolarHBondContact NZ-O 2.95Å; K242-D331 IonicContact NZ-OD1 2.62Å; K242-D331 PolarHBondContact NZ-OD1 2.81Å; K242-F358 HydrophobicContact CB-CD2 3.94Å; K242-F358 HydrophobicContact CB-CE2 4.5Å; K242-F358 HydrophobicContact CD-CB 4.24Å; K242-F358 HydrophobicContact CD-CD2 4.47Å; K242-F358 HydrophobicContact CG-CB 4.14Å; K242-F358 HydrophobicContact CG-CD2 4.03Å; K242-F358 VanDerWaalsContact O-CE2 3.3Å; K242-F358 WeakPolarHBondContact O-CE2 3.38Å
243L96.5Very high92Very high11 Ų1156.2 Ų56.26%0.05827%0.271CS..Hα-helixtrans-66.9-50-176.9177.359.8000111.5W241 T245 L246 C247 W270 L271 E274 L275W241-L243 VanDerWaalsContact C-N 3.3Å; W241-L243 PolarHBondContact O-N 2.84Å; L243-T245 VanDerWaalsContact C-N 3.33Å; L243-T245 PolarHBondContact O-N 3.46Å; L243-L246 VanDerWaalsContact O-CB 3.3Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 3.33Å; L243-L246 VanDerWaalsContact O-N 3.14Å; L243-C247 PolarHBondContact O-N 3.35Å; L243-C247 PolarHBondContact O-SG 3.23Å; L243-W270 HydrophobicContact CB-CH2 4.14Å; L243-W270 HydrophobicContact CD2-CH2 4.21Å; L243-W270 HydrophobicContact CD2-CZ2 4.06Å; L243-L271 HydrophobicContact CD1-CD1 3.74Å; L243-E274 HydrophobicContact CD1-CB 3.98Å; L243-E274 HydrophobicContact CD2-CB 3.84Å; L243-E274 HydrophobicContact CD2-CG 3.87Å; L243-E274 WeakPolarHBondContact CD2-OE2 3.22Å; L243-L275 HydrophobicContact CD1-CD2 4.34Å
244E94.9Very high90.9Very high97 Ų9760.1 Ų60.145%0.45330%0.301SS..Hα-helixtrans-63.3-41.9177.9-62.5-56.4139.700110.8L246 C247 D248 R278E244-L246 VanDerWaalsContact C-N 3.28Å; E244-L246 PolarHBondContact O-N 3.17Å; E244-C247 PolarHBondContact O-N 3.48Å; E244-C247 VanDerWaalsContact O-N 3.12Å; E244-D248 PolarHBondContact O-N 3.36Å; E244-R278 IonicContact OE1-CZ 3.99Å; E244-R278 IonicContact OE1-NE 2.75Å; E244-R278 IonicContact OE1-NH2 3.17Å; E244-R278 PolarHBondContact OE1-NH2 2.91Å
245T94.6Very high89.7Confident34 Ų3459.6 Ų59.621%0.20930%0.297CS..Hα-helixtrans-58-39.5173.4-56.30000112.3V234 V236 W241 L243 L249 F358V234-T245 HydrophobicContact CB-CG2 4.45Å; V234-T245 HydrophobicContact CG1-CG2 3.75Å; V236-T245 HydrophobicContact CG1-CG2 4Å; W241-T245 WeakPolarHBondContact O-CB 3.3Å; W241-T245 PolarHBondContact O-N 2.76Å; W241-T245 PolarHBondContact O-OG1 2.73Å; L243-T245 VanDerWaalsContact C-N 3.33Å; L243-T245 PolarHBondContact O-N 3.46Å; T245-L249 WeakPolarHBondContact O-CB 3.4Å; T245-L249 PolarHBondContact O-N 2.63Å; T245-F358 HydrophobicContact CG2-CE1 3.85Å; T245-F358 HydrophobicContact CG2-CE2 4.35Å; T245-F358 HydrophobicContact CG2-CZ 3.75Å
246L94.9Very high88.9Confident0 Ų060.6 Ų60.60%031%0.305CS..Hα-helixtrans-63.1-48.1175.9-170.862.9000111K242 L243 E244 L249 Y250 I260 L271 L275 I328 F330 F358K242-L246 WeakPolarHBondContact O-CB 3.46Å; K242-L246 PolarHBondContact O-N 3.21Å; L243-L246 VanDerWaalsContact O-CB 3.3Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 3.33Å; L243-L246 VanDerWaalsContact O-N 3.14Å; E244-L246 VanDerWaalsContact C-N 3.28Å; E244-L246 PolarHBondContact O-N 3.17Å; L246-L249 WeakPolarHBondContact O-CB 3.44Å; L246-L249 PolarHBondContact O-N 3.43Å; L246-Y250 HydrophobicContact CD1-CD2 4.08Å; L246-Y250 HydrophobicContact CD1-CE2 3.68Å; L246-Y250 HydrophobicContact CG-CD2 4.03Å; L246-Y250 HydrophobicContact CG-CE2 3.92Å; L246-Y250 VanDerWaalsContact O-CD2 3.28Å; L246-Y250 WeakPolarHBondContact O-CD2 3.42Å; L246-Y250 PolarHBondContact O-N 3Å; L246-I260 HydrophobicContact CD1-CD1 4.12Å; L246-I260 HydrophobicContact CD2-CD1 3.87Å; L246-L271 HydrophobicContact CD2-CD1 3.96Å; L246-L271 HydrophobicContact CD2-CD2 4.27Å; L246-L275 HydrophobicContact CD2-CD1 3.96Å; L246-L275 HydrophobicContact CD2-CD2 4.16Å; L246-I328 HydrophobicContact CD1-CD1 3.51Å; L246-I328 HydrophobicContact CD1-CG2 4.1Å; L246-F330 HydrophobicContact CB-CE2 4.46Å; L246-F330 HydrophobicContact CD2-CD2 4.07Å; L246-F330 HydrophobicContact CD2-CE2 4.02Å; L246-F358 HydrophobicContact CB-CE2 3.91Å; L246-F358 HydrophobicContact CB-CZ 4.24Å; L246-F358 HydrophobicContact CD1-CE2 4.06Å; L246-F358 HydrophobicContact CD1-CZ 4.07Å
247C92.6Very high88.5Confident6 Ų660.5 Ų60.54%0.04130%0.304CS..Hα-helixtrans-61.5-45.3180-68.40000111.6L243 E244 L249 Y250 Q251 R278L243-C247 PolarHBondContact O-N 3.35Å; L243-C247 PolarHBondContact O-SG 3.23Å; E244-C247 PolarHBondContact O-N 3.48Å; E244-C247 VanDerWaalsContact O-N 3.12Å; C247-L249 VanDerWaalsContact C-N 3.32Å; C247-L249 PolarHBondContact O-N 3.01Å; C247-Y250 PolarHBondContact O-N 2.87Å; C247-Q251 WeakPolarHBondContact O-CG 3.46Å; C247-Q251 PolarHBondContact O-N 2.86Å; C247-Q251 VanDerWaalsContact O-N 3.1Å; C247-R278 VanDerWaalsContact SG-CD 3.54Å
248D90.2Very high88.4Confident91 Ų9156 Ų5649%0.48728%0.284SS..Hα-helixtrans-60.3-42.2176.1-72.5-14.6000111.8E244 Y250 Q251 T252E244-D248 PolarHBondContact O-N 3.36Å; D248-Y250 PolarHBondContact O-N 2.98Å; D248-Q251 PolarHBondContact O-N 2.94Å; D248-T252 PolarHBondContact O-N 3.46Å
249L89.9Confident88.3Confident9 Ų952.3 Ų52.35%0.04727%0.267CS..Hα-helixtrans-56.2-54.9174.7-178.567.6000109.6T245 L246 C247 Q251 T252 I253 I328 I356 L381 V385T245-L249 WeakPolarHBondContact O-CB 3.4Å; T245-L249 PolarHBondContact O-N 2.63Å; L246-L249 WeakPolarHBondContact O-CB 3.44Å; L246-L249 PolarHBondContact O-N 3.43Å; C247-L249 VanDerWaalsContact C-N 3.32Å; C247-L249 PolarHBondContact O-N 3.01Å; L249-Q251 PolarHBondContact O-N 3.19Å; L249-Q251 VanDerWaalsContact O-N 3.15Å; L249-T252 PolarHBondContact O-N 3.44Å; L249-T252 PolarHBondContact O-OG1 3.14Å; L249-I253 HydrophobicContact CD1-CD1 3.99Å; L249-I253 HydrophobicContact CD1-CG2 4.35Å; L249-I253 HydrophobicContact CD2-CD1 4.26Å; L249-I253 HydrophobicContact CG-CD1 3.74Å; L249-I253 HydrophobicContact CG-CG1 4.37Å; L249-I253 WeakPolarHBondContact O-CG1 3.5Å; L249-I253 PolarHBondContact O-N 2.93Å; L249-I328 HydrophobicContact CD2-CD1 3.72Å; L249-I328 HydrophobicContact CD2-CG1 4.44Å; L249-I356 HydrophobicContact CD1-CD1 3.96Å; L249-I356 HydrophobicContact CD2-CD1 3.78Å; L249-L381 HydrophobicContact CD1-CD2 4.19Å; L249-V385 HydrophobicContact CD1-CG1 3.76Å
250Y87.3Confident88.2Confident27 Ų2749 Ų4911%0.10625%0.251CS..Hα-helixtrans-61.1-23.3-179.7-84.9-82.6000114.9L246 C247 D248 T252 I255 A258 I260 F280 I308 I328L246-Y250 HydrophobicContact CD1-CD2 4.08Å; L246-Y250 HydrophobicContact CD1-CE2 3.68Å; L246-Y250 HydrophobicContact CG-CD2 4.03Å; L246-Y250 HydrophobicContact CG-CE2 3.92Å; L246-Y250 VanDerWaalsContact O-CD2 3.28Å; L246-Y250 WeakPolarHBondContact O-CD2 3.42Å; L246-Y250 PolarHBondContact O-N 3Å; C247-Y250 PolarHBondContact O-N 2.87Å; D248-Y250 PolarHBondContact O-N 2.98Å; Y250-T252 VanDerWaalsContact C-N 3.32Å; Y250-I255 HydrophobicContact CD1-CD1 3.28Å; Y250-I255 HydrophobicContact CE1-CD1 3.01Å; Y250-I255 HydrophobicContact CE1-CG1 4.48Å; Y250-I255 HydrophobicContact CG-CD1 4.24Å; Y250-A258 VanDerWaalsContact OH-CB 3.3Å; Y250-A258 WeakPolarHBondContact OH-CB 3.49Å; Y250-I260 HydrophobicContact CE2-CD1 4.09Å; Y250-F280 HydrophobicContact CD1-CE1 4.3Å; Y250-F280 HydrophobicContact CD2-CE1 4.47Å; Y250-F280 AromaticContact CG-CE1 3.89Å; Y250-F280 HydrophobicContact CG-CE1 3.89Å; Y250-I308 HydrophobicContact CD1-CD1 3.89Å; Y250-I308 HydrophobicContact CE1-CD1 3.24Å; Y250-I308 HydrophobicContact CE1-CG1 3.6Å; Y250-I308 HydrophobicContact CE2-CD1 4.27Å; Y250-I328 HydrophobicContact CE2-CD1 4.03Å
251Q83.6Confident88.2Confident151 Ų15141.9 Ų41.971%0.70622%0.218SC*.Hα-helixtrans-72.3-27.1173-70176.414.200112.8C247 D248 L249C247-Q251 WeakPolarHBondContact O-CG 3.46Å; C247-Q251 PolarHBondContact O-N 2.86Å; C247-Q251 VanDerWaalsContact O-N 3.1Å; D248-Q251 PolarHBondContact O-N 2.94Å; L249-Q251 PolarHBondContact O-N 3.19Å; L249-Q251 VanDerWaalsContact O-N 3.15Å
252T79.4Confident88.2Confident81 Ų8136.4 Ų36.450%0.49720%0.197SC..Hα-helixtrans-95.5-16.5-174.959.90000114D248 L249 Y250D248-T252 PolarHBondContact O-N 3.46Å; L249-T252 PolarHBondContact O-N 3.44Å; L249-T252 PolarHBondContact O-OG1 3.14Å; Y250-T252 VanDerWaalsContact C-N 3.32Å
253I77.4Confident88Confident13 Ų1339.3 Ų39.37%0.06721%0.213CC..  trans-120.9132.7-172.164.1174.9000113L249 I255 L326 V385 F389L249-I253 HydrophobicContact CD1-CD1 3.99Å; L249-I253 HydrophobicContact CD1-CG2 4.35Å; L249-I253 HydrophobicContact CD2-CD1 4.26Å; L249-I253 HydrophobicContact CG-CD1 3.74Å; L249-I253 HydrophobicContact CG-CG1 4.37Å; L249-I253 WeakPolarHBondContact O-CG1 3.5Å; L249-I253 PolarHBondContact O-N 2.93Å; I253-I255 HydrophobicContact CB-CG1 4.3Å; I253-I255 HydrophobicContact CD1-CD1 3.44Å; I253-I255 VanDerWaalsContact CD1-CD1 3.44Å; I253-I255 HydrophobicContact CD1-CG1 3.45Å; I253-I255 VanDerWaalsContact CD1-CG1 3.45Å; I253-I255 HydrophobicContact CG1-CD1 3.63Å; I253-I255 HydrophobicContact CG1-CG1 3.56Å; I253-I255 PolarHBondContact O-N 3.38Å; I253-L326 HydrophobicContact CD1-CD2 3.4Å; I253-L326 VanDerWaalsContact CD1-CD2 3.4Å; I253-V385 HydrophobicContact CG2-CB 4.1Å; I253-V385 HydrophobicContact CG2-CG1 3.44Å; I253-V385 VanDerWaalsContact CG2-CG1 3.44Å; I253-F389 HydrophobicContact CB-CD2 4.14Å; I253-F389 HydrophobicContact CB-CE2 3.98Å; I253-F389 HydrophobicContact CD1-CE2 3.88Å; I253-F389 HydrophobicContact CD1-CZ 3.88Å; I253-F389 HydrophobicContact CG2-CD2 3.95Å; I253-F389 HydrophobicContact CG2-CE2 3.59Å
254T71.6Confident87.9Confident138 Ų13841.3 Ų41.385%0.84723%0.228SC*.  trans-87.399.3168.248.70000109.4
255I70.6Confident87.7Confident20 Ų2041 Ų4110%0.10322%0.222CC..  trans-93.6137.7-178.2-57.2153.4000110.1Y250 I253 Q257 A258 L326Y250-I255 HydrophobicContact CD1-CD1 3.28Å; Y250-I255 HydrophobicContact CE1-CD1 3.01Å; Y250-I255 HydrophobicContact CE1-CG1 4.48Å; Y250-I255 HydrophobicContact CG-CD1 4.24Å; I253-I255 HydrophobicContact CB-CG1 4.3Å; I253-I255 HydrophobicContact CD1-CD1 3.44Å; I253-I255 VanDerWaalsContact CD1-CD1 3.44Å; I253-I255 HydrophobicContact CD1-CG1 3.45Å; I253-I255 VanDerWaalsContact CD1-CG1 3.45Å; I253-I255 HydrophobicContact CG1-CD1 3.63Å; I253-I255 HydrophobicContact CG1-CG1 3.56Å; I253-I255 PolarHBondContact O-N 3.38Å; I255-Q257 VanDerWaalsContact CG2-C 3.4Å; I255-A258 HydrophobicContact CD1-CB 4.45Å; I255-A258 HydrophobicContact CG2-CB 3.88Å; I255-L326 HydrophobicContact CD1-CD2 3.77Å; I255-L326 HydrophobicContact CG1-CD2 3.92Å; I255-L326 HydrophobicContact CG2-CB 4.33Å
256T77.7Confident87.8Confident76 Ų7649.1 Ų49.147%0.46625%0.249SC..SBendtrans-67.9-68165.152.20000109.7Q323 S325T256-Q323 PolarHBondContact OG1-O 2.8Å; T256-S325 PolarHBondContact OG1-OG 3.16Å
257Q87Confident87.8Confident2 Ų250.8 Ų50.81%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-146.3142.2171.7-57.7-169-81.400110.9I255 F301 S306 R307 Q323 S325I255-Q257 VanDerWaalsContact CG2-C 3.4Å; Q257-F301 HydrophobicContact CB-CE2 4.08Å; Q257-F301 HydrophobicContact CB-CZ 4.16Å; Q257-F301 PolarHBondContact NE2-O 2.65Å; Q257-S306 PolarHBondContact NE2-O 3.45Å; Q257-R307 CarbonylContact C-O 3.54Å; Q257-R307 WeakPolarHBondContact CA-O 3.49Å; Q257-Q323 HydrophobicContact CG-CB 4.45Å; Q257-Q323 VanDerWaalsContact OE1-CB 3.25Å; Q257-S325 PolarHBondContact O-N 2.75Å
258A89.9Confident88Confident0 Ų050.5 Ų50.50%025%0.254CS..EExtended strand (participates in β ladder)trans-123.5148.4177.200000112.1Y250 I255 R307 L309 L326Y250-A258 VanDerWaalsContact OH-CB 3.3Å; Y250-A258 WeakPolarHBondContact OH-CB 3.49Å; I255-A258 HydrophobicContact CD1-CB 4.45Å; I255-A258 HydrophobicContact CG2-CB 3.88Å; A258-R307 PolarHBondContact N-O 3.26Å; A258-L309 PolarHBondContact O-N 3.09Å; A258-L326 VanDerWaalsContact CA-O 3.25Å; A258-L326 WeakPolarHBondContact CA-O 3.38Å; A258-L326 HydrophobicContact CB-CB 4.08Å; A258-L326 HydrophobicContact CB-CD2 4.3Å; A258-L326 HydrophobicContact CB-CG 4.26Å
259V91.7Very high88.2Confident5 Ų549.4 Ų49.43%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-114.5131166.6-176.30000109.2F261 F301 L309 I324 L326 V327 I328V259-F261 HydrophobicContact CB-CE2 4.26Å; V259-F261 HydrophobicContact CG1-CD1 4.48Å; V259-F261 HydrophobicContact CG1-CD2 4.11Å; V259-F261 HydrophobicContact CG1-CE1 3.97Å; V259-F261 HydrophobicContact CG1-CE2 3.56Å; V259-F261 HydrophobicContact CG1-CZ 3.48Å; V259-F261 VanDerWaalsContact CG1-CZ 3.48Å; V259-F301 HydrophobicContact CG2-CE1 4.03Å; V259-F301 HydrophobicContact CG2-CZ 3.74Å; V259-L309 CarbonylContact C-O 3.51Å; V259-L309 VanDerWaalsContact CA-O 3.3Å; V259-L309 WeakPolarHBondContact CA-O 3.36Å; V259-L309 HydrophobicContact CG2-CB 4.5Å; V259-I324 HydrophobicContact CG2-CD1 3.53Å; V259-I324 HydrophobicContact CG2-CG1 3.98Å; V259-I324 HydrophobicContact CG2-CG2 4.19Å; V259-L326 PolarHBondContact N-O 2.72Å; V259-V327 WeakPolarHBondContact O-CA 3.4Å; V259-I328 PolarHBondContact O-N 2.66Å
260I94.3Very high88.6Confident0 Ų053 Ų530%026%0.259CS..EExtended strand (participates in β ladder)trans-112.3121.8177.4-50.5-177.6000108.7L246 Y250 L271 L275 I308 L309 I310 S311 I328 F330L246-I260 HydrophobicContact CD1-CD1 4.12Å; L246-I260 HydrophobicContact CD2-CD1 3.87Å; Y250-I260 HydrophobicContact CE2-CD1 4.09Å; I260-L271 HydrophobicContact CG2-CD2 3.9Å; I260-L275 HydrophobicContact CD1-CD1 4.42Å; I260-I308 HydrophobicContact CD1-CG2 3.72Å; I260-I308 HydrophobicContact CG1-CG2 4.16Å; I260-L309 PolarHBondContact N-O 3.22Å; I260-I310 HydrophobicContact CB-CG1 4.38Å; I260-I310 HydrophobicContact CB-CG2 4.45Å; I260-I310 HydrophobicContact CD1-CG1 4.37Å; I260-I310 CarbonylContact O-C 3.57Å; I260-I310 WeakPolarHBondContact O-CA 3.17Å; I260-S311 PolarHBondContact O-N 3.36Å; I260-I328 CarbonylContact C-O 3.56Å; I260-I328 VanDerWaalsContact CA-O 3.3Å; I260-I328 WeakPolarHBondContact CA-O 3.13Å; I260-I328 HydrophobicContact CG1-CB 4.25Å; I260-I328 HydrophobicContact CG1-CD1 4.39Å; I260-I328 HydrophobicContact CG2-CB 4.38Å; I260-I328 HydrophobicContact CG2-CG2 4.44Å; I260-F330 HydrophobicContact CG2-CB 3.74Å; I260-F330 HydrophobicContact CG2-CD2 4.38Å; I260-F330 HydrophobicContact CG2-CG 4.47Å
261F95.2Very high89.1Confident1 Ų151.7 Ų51.70%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-102.7128.1179.3-70.5-71.8000112.3V259 S311 T312 L315 V327 I328 F330 D331 R342V259-F261 HydrophobicContact CB-CE2 4.26Å; V259-F261 HydrophobicContact CG1-CD1 4.48Å; V259-F261 HydrophobicContact CG1-CD2 4.11Å; V259-F261 HydrophobicContact CG1-CE1 3.97Å; V259-F261 HydrophobicContact CG1-CE2 3.56Å; V259-F261 HydrophobicContact CG1-CZ 3.48Å; V259-F261 VanDerWaalsContact CG1-CZ 3.48Å; F261-S311 WeakPolarHBondContact CA-O 3.39Å; F261-T312 WeakPolarHBondContact CD1-O 3.34Å; F261-L315 HydrophobicContact CE1-CB 4.43Å; F261-V327 HydrophobicContact CD2-CG1 3.79Å; F261-V327 HydrophobicContact CE2-CG1 3.81Å; F261-I328 PolarHBondContact N-O 2.85Å; F261-F330 WeakPolarHBondContact O-CB 3.36Å; F261-F330 PolarHBondContact O-N 2.96Å; F261-D331 PolarHBondContact O-N 2.62Å; F261-R342 HydrophobicContact CB-CG 4.43Å; F261-R342 HydrophobicContact CD1-CG 4.23Å; F261-R342 HydrophobicContact CD2-CB 3.7Å; F261-R342 HydrophobicContact CD2-CG 3.73Å; F261-R342 HydrophobicContact CE1-CG 4.45Å; F261-R342 HydrophobicContact CE2-CB 3.73Å; F261-R342 HydrophobicContact CE2-CG 3.96Å; F261-R342 HydrophobicContact CG-CB 4.36Å; F261-R342 HydrophobicContact CG-CG 3.87Å; F261-R342 HydrophobicContact CZ-CB 4.42Å; F261-R342 HydrophobicContact CZ-CG 4.32Å
262C95.7Very high89.7Confident0 Ų045.2 Ų45.20%023%0.225CC..  trans-118.6153.9170.9-54.80000110.2S264 K267 V268 S311 T312 D331C262-S264 PolarHBondContact O-N 3.5Å; C262-K267 HydrophobicContact CB-CB 3.99Å; C262-K267 HydrophobicContact CB-CG 3.91Å; C262-V268 HydrophobicContact CB-CG2 3.86Å; C262-S311 PolarHBondContact N-O 3.32Å; C262-T312 WeakPolarHBondContact O-CA 3.48Å; C262-D331 WeakPolarHBondContact CA-OD2 3.48Å
263N93.3Very high90.5Very high63 Ų6345.9 Ų45.934%0.33723%0.225SC..SBendtrans-80.5-15.1-176.1-72.7-12.5000114.1D331 L332 R342N263-D331 HydrophobicContact CB-CB 4.15Å; N263-D331 PolarHBondContact N-OD2 2.94Å; N263-D331 WeakPolarHBondContact ND2-CB 3.27Å; N263-L332 PolarHBondContact ND2-O 3.37Å; N263-L332 PolarHBondContact OD1-O 3.48Å; N263-R342 PolarHBondContact OD1-NH2 2.92Å
264S93.3Very high91.4Very high53 Ų5347.5 Ų47.537%0.37123%0.233SC..SBendtrans-137.9149.9-177.672.30000112.8C262 R266 K267 V268C262-S264 PolarHBondContact O-N 3.5Å; S264-R266 VanDerWaalsContact C-N 3.3Å; S264-R266 PolarHBondContact O-N 3.02Å; S264-K267 WeakPolarHBondContact O-CB 3.45Å; S264-K267 PolarHBondContact O-N 3.36Å; S264-K267 VanDerWaalsContact O-N 3.11Å; S264-K267 VanDerWaalsContact OG-CB 3.32Å; S264-K267 WeakPolarHBondContact OG-CB 3.17Å; S264-K267 PolarHBondContact OG-N 3.37Å; S264-V268 PolarHBondContact O-N 3.45Å
265R92.2Very high92.5Very high90 Ų9040.9 Ų40.934%0.3419%0.192SC..Hα-helixtrans-53.3-47.5172.7173.1-178171-173.21.4111.7K267 V268 E269 H286 E288R265-K267 PolarHBondContact O-N 3.24Å; R265-V268 WeakPolarHBondContact O-CA 3.25Å; R265-V268 WeakPolarHBondContact O-CB 3.28Å; R265-V268 PolarHBondContact O-N 3.12Å; R265-E269 HydrophobicContact CG-CG 4.35Å; R265-E269 IonicContact CZ-OE1 3.64Å; R265-E269 IonicContact NE-OE1 2.74Å; R265-E269 PolarHBondContact NE-OE1 3.23Å; R265-E269 IonicContact NE-OE2 2.75Å; R265-E269 IonicContact NH2-OE1 3.68Å; R265-E269 PolarHBondContact NH2-OE1 3.19Å; R265-E269 PolarHBondContact O-N 3.24Å; R265-H286 HydrophobicContact CG-CB 4.36Å; R265-H286 VanDerWaalsContact CZ-CE1 3.48Å; R265-H286 PolarHBondContact NE-CE1 3.11Å; R265-H286 PolarHBondContact NE-NE2 3.5Å; R265-E288 WeakPolarHBondContact CD-OE2 3.45Å; R265-E288 IonicContact CZ-OE2 3.6Å; R265-E288 IonicContact NE-OE2 3.03Å; R265-E288 PolarHBondContact NE-OE2 3.07Å; R265-E288 IonicContact NH1-OE1 3.86Å; R265-E288 IonicContact NH1-OE2 3.88Å; R265-E288 PolarHBondContact NH1-OE2 3.34Å
266R95.2Very high93.6Very high206 Ų20644.2 Ų44.278%0.77721%0.209SC*.Hα-helixtrans-56.3-38.4179.7-170.7179.474.4162.13.6111.7S264 W270S264-R266 VanDerWaalsContact C-N 3.3Å; S264-R266 PolarHBondContact O-N 3.02Å; R266-W270 VanDerWaalsContact O-CB 3.25Å; R266-W270 WeakPolarHBondContact O-CB 3.3Å; R266-W270 PolarHBondContact O-N 3.49Å
267K96.1Very high94.4Very high34 Ų3447.7 Ų47.715%0.14822%0.22CC..Hα-helixtrans-72.2-37.3177.5-166.176.7178.8-177.40111.8E239 C262 S264 R265 W270 L271E239-K267 WeakPolarHBondContact OE1-CE 3.42Å; E239-K267 IonicContact OE1-NZ 3.45Å; E239-K267 PolarHBondContact OE1-NZ 3.11Å; C262-K267 HydrophobicContact CB-CB 3.99Å; C262-K267 HydrophobicContact CB-CG 3.91Å; S264-K267 WeakPolarHBondContact O-CB 3.45Å; S264-K267 PolarHBondContact O-N 3.36Å; S264-K267 VanDerWaalsContact O-N 3.11Å; S264-K267 VanDerWaalsContact OG-CB 3.32Å; S264-K267 WeakPolarHBondContact OG-CB 3.17Å; S264-K267 PolarHBondContact OG-N 3.37Å; R265-K267 PolarHBondContact O-N 3.24Å; K267-W270 HydrophobicContact CD-CE3 3.72Å; K267-W270 HydrophobicContact CD-CZ3 4.04Å; K267-W270 HydrophobicContact CG-CE3 4.39Å; K267-W270 VanDerWaalsContact NZ-CZ3 3.3Å; K267-L271 VanDerWaalsContact O-CB 3.23Å; K267-L271 WeakPolarHBondContact O-CB 3.09Å; K267-L271 PolarHBondContact O-N 3Å
268V95.7Very high94.7Very high0 Ų051.6 Ų51.60%024%0.235CC..Hα-helixtrans-59.8-51.9172.1171.50000110.5C262 S264 R265 L271 T272 A284 I310 T312C262-V268 HydrophobicContact CB-CG2 3.86Å; S264-V268 PolarHBondContact O-N 3.45Å; R265-V268 WeakPolarHBondContact O-CA 3.25Å; R265-V268 WeakPolarHBondContact O-CB 3.28Å; R265-V268 PolarHBondContact O-N 3.12Å; V268-L271 PolarHBondContact O-N 2.77Å; V268-T272 WeakPolarHBondContact O-CB 3.37Å; V268-T272 PolarHBondContact O-N 3.2Å; V268-T272 PolarHBondContact O-OG1 3.31Å; V268-A284 HydrophobicContact CG1-CB 3.98Å; V268-I310 HydrophobicContact CB-CG2 4.36Å; V268-I310 HydrophobicContact CG1-CB 4.38Å; V268-I310 HydrophobicContact CG1-CG2 3.96Å; V268-I310 HydrophobicContact CG2-CG2 4.32Å; V268-T312 HydrophobicContact CG2-CG2 3.73Å
269E95.7Very high94.6Very high69 Ų6959 Ų5932%0.32228%0.275SS..Hα-helixtrans-61.4-46.5179.3-69.7174.9164.300111.9R265 T272 N273 H286R265-E269 HydrophobicContact CG-CG 4.35Å; R265-E269 IonicContact CZ-OE1 3.64Å; R265-E269 IonicContact NE-OE1 2.74Å; R265-E269 PolarHBondContact NE-OE1 3.23Å; R265-E269 IonicContact NE-OE2 2.75Å; R265-E269 IonicContact NH2-OE1 3.68Å; R265-E269 PolarHBondContact NH2-OE1 3.19Å; R265-E269 PolarHBondContact O-N 3.24Å; E269-T272 WeakPolarHBondContact O-CB 3.34Å; E269-T272 PolarHBondContact O-N 3.24Å; E269-N273 PolarHBondContact O-N 2.9Å; E269-N273 VanDerWaalsContact O-N 3.07Å; E269-N273 PolarHBondContact O-ND2 2.74Å; E269-H286 IonicContact OE1-CE1 2.74Å; E269-H286 IonicContact OE1-NE2 3.23Å; E269-H286 PolarHBondContact OE1-NE2 3.46Å
270W97.5Very high94.5Very high84 Ų8461.1 Ų61.132%0.31828%0.283SS..Hα-helixtrans-57.3-53175.7168.872.5000111.8L243 R266 K267 T272 N273 E274 F330L243-W270 HydrophobicContact CB-CH2 4.14Å; L243-W270 HydrophobicContact CD2-CH2 4.21Å; L243-W270 HydrophobicContact CD2-CZ2 4.06Å; R266-W270 VanDerWaalsContact O-CB 3.25Å; R266-W270 WeakPolarHBondContact O-CB 3.3Å; R266-W270 PolarHBondContact O-N 3.49Å; K267-W270 HydrophobicContact CD-CE3 3.72Å; K267-W270 HydrophobicContact CD-CZ3 4.04Å; K267-W270 HydrophobicContact CG-CE3 4.39Å; K267-W270 VanDerWaalsContact NZ-CZ3 3.3Å; W270-T272 PolarHBondContact O-N 3.14Å; W270-N273 PolarHBondContact O-N 3.24Å; W270-E274 HydrophobicContact CD2-CG 4.18Å; W270-E274 HydrophobicContact CG-CG 4.42Å; W270-E274 HydrophobicContact CZ2-CG 3.94Å; W270-E274 PolarHBondContact NE1-OE1 3.21Å; W270-E274 VanDerWaalsContact NE1-OE1 3.07Å; W270-E274 WeakPolarHBondContact O-CG 3.45Å; W270-E274 PolarHBondContact O-N 3.01Å; W270-F330 HydrophobicContact CH2-CZ 4.32Å; W270-F330 HydrophobicContact CZ3-CE1 4.1Å; W270-F330 AromaticContact CZ3-CZ 3.9Å; W270-F330 HydrophobicContact CZ3-CZ 3.9Å
271L97.4Very high94.1Very high0 Ų067.5 Ų67.50%032%0.316CS..Hα-helixtrans-63.2-35.3-177.8-176.760.9000111.8L243 L246 I260 K267 V268 L275 I310 F330L243-L271 HydrophobicContact CD1-CD1 3.74Å; L246-L271 HydrophobicContact CD2-CD1 3.96Å; L246-L271 HydrophobicContact CD2-CD2 4.27Å; I260-L271 HydrophobicContact CG2-CD2 3.9Å; K267-L271 VanDerWaalsContact O-CB 3.23Å; K267-L271 WeakPolarHBondContact O-CB 3.09Å; K267-L271 PolarHBondContact O-N 3Å; V268-L271 PolarHBondContact O-N 2.77Å; L271-L275 HydrophobicContact CD1-CD1 4.15Å; L271-L275 HydrophobicContact CD1-CG 4.17Å; L271-L275 HydrophobicContact CG-CD1 4.02Å; L271-L275 HydrophobicContact CG-CG 4.43Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.38Å; L271-L275 PolarHBondContact O-N 3.05Å; L271-I310 HydrophobicContact CD2-CD1 4.46Å; L271-I310 HydrophobicContact CD2-CG2 4.05Å; L271-I310 HydrophobicContact CG-CD1 4.2Å; L271-F330 HydrophobicContact CD1-CD2 4.31Å; L271-F330 HydrophobicContact CD1-CE2 3.72Å; L271-F330 HydrophobicContact CD1-CZ 4.07Å; L271-F330 HydrophobicContact CD2-CD2 3.68Å; L271-F330 HydrophobicContact CD2-CE2 3.94Å; L271-F330 HydrophobicContact CD2-CG 4.01Å; L271-F330 HydrophobicContact CG-CE2 4.5Å
272T96Very high93.9Very high15 Ų1568.4 Ų68.49%0.09232%0.322CS..Hα-helixtrans-60.3-49.7175.5-57.30000110.8V268 E269 W270 L275 I276 V282 A284V268-T272 WeakPolarHBondContact O-CB 3.37Å; V268-T272 PolarHBondContact O-N 3.2Å; V268-T272 PolarHBondContact O-OG1 3.31Å; E269-T272 WeakPolarHBondContact O-CB 3.34Å; E269-T272 PolarHBondContact O-N 3.24Å; W270-T272 PolarHBondContact O-N 3.14Å; T272-L275 PolarHBondContact O-N 3.03Å; T272-I276 HydrophobicContact CG2-CD1 3.82Å; T272-I276 VanDerWaalsContact O-CG1 3.26Å; T272-I276 WeakPolarHBondContact O-CG1 3.46Å; T272-I276 PolarHBondContact O-N 3.46Å; T272-V282 HydrophobicContact CG2-CG2 3.91Å; T272-A284 HydrophobicContact CG2-CB 3.78Å; T272-A284 WeakPolarHBondContact OG1-CB 3.46Å
273N96.4Very high93.8Very high94 Ų9469.5 Ų69.550%0.50333%0.329SS..Hα-helixtrans-63.1-46.4179.6-66.8-19.8000111.6E269 W270 L275 I276 E277E269-N273 PolarHBondContact O-N 2.9Å; E269-N273 VanDerWaalsContact O-N 3.07Å; E269-N273 PolarHBondContact O-ND2 2.74Å; W270-N273 PolarHBondContact O-N 3.24Å; N273-L275 VanDerWaalsContact C-N 3.28Å; N273-L275 PolarHBondContact O-N 3.13Å; N273-I276 PolarHBondContact O-N 3.39Å; N273-E277 WeakPolarHBondContact O-CG 3.23Å; N273-E277 PolarHBondContact O-N 3.31Å
274E96.8Very high93.8Very high47 Ų4767.4 Ų67.422%0.2232%0.321CS..Hα-helixtrans-59.8-36.4179-68.5-70160.600113.3L243 W270 R278L243-E274 HydrophobicContact CD1-CB 3.98Å; L243-E274 HydrophobicContact CD2-CB 3.84Å; L243-E274 HydrophobicContact CD2-CG 3.87Å; L243-E274 WeakPolarHBondContact CD2-OE2 3.22Å; W270-E274 HydrophobicContact CD2-CG 4.18Å; W270-E274 HydrophobicContact CG-CG 4.42Å; W270-E274 HydrophobicContact CZ2-CG 3.94Å; W270-E274 PolarHBondContact NE1-OE1 3.21Å; W270-E274 VanDerWaalsContact NE1-OE1 3.07Å; W270-E274 WeakPolarHBondContact O-CG 3.45Å; W270-E274 PolarHBondContact O-N 3.01Å; E274-R278 WeakPolarHBondContact O-CG 3.49Å; E274-R278 PolarHBondContact O-N 2.86Å; E274-R278 PolarHBondContact O-NH1 2.92Å; E274-R278 IonicContact OE2-CZ 3.34Å; E274-R278 IonicContact OE2-NH1 3.76Å; E274-R278 PolarHBondContact OE2-NH1 3.35Å; E274-R278 IonicContact OE2-NH2 3.03Å
275L94.3Very high93.7Very high0 Ų064.9 Ų64.90%030%0.303CS..Hα-helixtrans-76.5-39177.6-73.1178.4000111.8L243 L246 I260 L271 T272 N273 E277 R278 D279 F280 V282 I310L243-L275 HydrophobicContact CD1-CD2 4.34Å; L246-L275 HydrophobicContact CD2-CD1 3.96Å; L246-L275 HydrophobicContact CD2-CD2 4.16Å; I260-L275 HydrophobicContact CD1-CD1 4.42Å; L271-L275 HydrophobicContact CD1-CD1 4.15Å; L271-L275 HydrophobicContact CD1-CG 4.17Å; L271-L275 HydrophobicContact CG-CD1 4.02Å; L271-L275 HydrophobicContact CG-CG 4.43Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.38Å; L271-L275 PolarHBondContact O-N 3.05Å; T272-L275 PolarHBondContact O-N 3.03Å; N273-L275 VanDerWaalsContact C-N 3.28Å; N273-L275 PolarHBondContact O-N 3.13Å; L275-E277 VanDerWaalsContact C-N 3.34Å; L275-R278 CarbonylContact O-C 3.52Å; L275-R278 PolarHBondContact O-N 3.18Å; L275-R278 VanDerWaalsContact O-N 3.13Å; L275-D279 PolarHBondContact O-N 2.87Å; L275-F280 HydrophobicContact CB-CB 4.05Å; L275-F280 HydrophobicContact CB-CD2 4.4Å; L275-F280 HydrophobicContact CD2-CD2 3.78Å; L275-F280 HydrophobicContact CD2-CE2 4.15Å; L275-F280 HydrophobicContact CD2-CG 4.24Å; L275-F280 WeakPolarHBondContact O-CB 3.28Å; L275-F280 PolarHBondContact O-N 2.94Å; L275-V282 HydrophobicContact CB-CG1 3.95Å; L275-V282 HydrophobicContact CB-CG2 4.4Å; L275-V282 HydrophobicContact CD1-CG1 3.97Å; L275-I310 HydrophobicContact CD1-CD1 3.76Å
276I93.7Very high93.6Very high90 Ų9061.2 Ų61.246%0.46229%0.29SS..Hα-helixtrans-62.9-42.2174.1-69.7170.2000110.8T272 N273 R278 D279 V282T272-I276 HydrophobicContact CG2-CD1 3.82Å; T272-I276 VanDerWaalsContact O-CG1 3.26Å; T272-I276 WeakPolarHBondContact O-CG1 3.46Å; T272-I276 PolarHBondContact O-N 3.46Å; N273-I276 PolarHBondContact O-N 3.39Å; I276-R278 PolarHBondContact O-N 3.19Å; I276-D279 PolarHBondContact O-N 3.47Å; I276-V282 HydrophobicContact CD1-CG2 4.22Å; I276-V282 HydrophobicContact CG1-CG2 3.76Å
277E95Very high93Very high148 Ų14853.3 Ų53.369%0.69227%0.273SS*.THydrogen-bonded Turntrans-62.7-20.3175.7-74.8-177.4-175.800113.2N273 L275N273-E277 WeakPolarHBondContact O-CG 3.23Å; N273-E277 PolarHBondContact O-N 3.31Å; L275-E277 VanDerWaalsContact C-N 3.34Å
278R92.8Very high92.5Very high84 Ų8458.4 Ų58.432%0.31730%0.297SS..THydrogen-bonded Turntrans-100.922.1174.9-67.4173.2175.873.3-6.5112.7E244 C247 E274 L275 I276 F280E244-R278 IonicContact OE1-CZ 3.99Å; E244-R278 IonicContact OE1-NE 2.75Å; E244-R278 IonicContact OE1-NH2 3.17Å; E244-R278 PolarHBondContact OE1-NH2 2.91Å; C247-R278 VanDerWaalsContact SG-CD 3.54Å; E274-R278 WeakPolarHBondContact O-CG 3.49Å; E274-R278 PolarHBondContact O-N 2.86Å; E274-R278 PolarHBondContact O-NH1 2.92Å; E274-R278 IonicContact OE2-CZ 3.34Å; E274-R278 IonicContact OE2-NH1 3.76Å; E274-R278 PolarHBondContact OE2-NH1 3.35Å; E274-R278 IonicContact OE2-NH2 3.03Å; L275-R278 CarbonylContact O-C 3.52Å; L275-R278 PolarHBondContact O-N 3.18Å; L275-R278 VanDerWaalsContact O-N 3.13Å; I276-R278 PolarHBondContact O-N 3.19Å; R278-F280 VanDerWaalsContact C-N 3.26Å; R278-F280 HydrophobicContact CB-CD2 3.91Å; R278-F280 HydrophobicContact CB-CE2 4.08Å; R278-F280 WeakPolarHBondContact O-CD2 3.29Å; R278-F280 PolarHBondContact O-N 2.84Å
279D89.5Confident92.2Very high156 Ų15659.4 Ų59.483%0.83430%0.302SS*.THydrogen-bonded Turntrans63.120176.9-61.8-50.4000115.7L275 I276L275-D279 PolarHBondContact O-N 2.87Å; I276-D279 PolarHBondContact O-N 3.47Å
280F88.2Confident92Very high49 Ų4962.8 Ų62.822%0.21532%0.318CS..  trans-80.2132.8171.2-70.3-86.4000111.5Y250 L275 R278 V282 I308Y250-F280 HydrophobicContact CD1-CE1 4.3Å; Y250-F280 HydrophobicContact CD2-CE1 4.47Å; Y250-F280 AromaticContact CG-CE1 3.89Å; Y250-F280 HydrophobicContact CG-CE1 3.89Å; L275-F280 HydrophobicContact CB-CB 4.05Å; L275-F280 HydrophobicContact CB-CD2 4.4Å; L275-F280 HydrophobicContact CD2-CD2 3.78Å; L275-F280 HydrophobicContact CD2-CE2 4.15Å; L275-F280 HydrophobicContact CD2-CG 4.24Å; L275-F280 WeakPolarHBondContact O-CB 3.28Å; L275-F280 PolarHBondContact O-N 2.94Å; R278-F280 VanDerWaalsContact C-N 3.26Å; R278-F280 HydrophobicContact CB-CD2 3.91Å; R278-F280 HydrophobicContact CB-CE2 4.08Å; R278-F280 WeakPolarHBondContact O-CD2 3.29Å; R278-F280 PolarHBondContact O-N 2.84Å; F280-V282 HydrophobicContact CB-CG1 3.87Å; F280-V282 PolarHBondContact O-N 3.04Å; F280-I308 HydrophobicContact CD1-CD1 4.07Å
281I86.8Confident91.5Very high135 Ų13559 Ų5969%0.69230%0.303SS*.  trans-82.9101.4169.6-56.4174.3000108.4
282V91Very high91.3Very high19 Ų1965 Ų6512%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-121.1154.5-179.9-55.30000111.1T272 L275 I276 F280 I308 I310T272-V282 HydrophobicContact CG2-CG2 3.91Å; L275-V282 HydrophobicContact CB-CG1 3.95Å; L275-V282 HydrophobicContact CB-CG2 4.4Å; L275-V282 HydrophobicContact CD1-CG1 3.97Å; I276-V282 HydrophobicContact CD1-CG2 4.22Å; I276-V282 HydrophobicContact CG1-CG2 3.76Å; F280-V282 HydrophobicContact CB-CG1 3.87Å; F280-V282 PolarHBondContact O-N 3.04Å; V282-I308 HydrophobicContact CB-CB 4.32Å; V282-I308 HydrophobicContact CB-CG2 4.3Å; V282-I308 HydrophobicContact CG1-CB 3.89Å; V282-I308 HydrophobicContact CG1-CD1 4.03Å; V282-I308 HydrophobicContact CG1-CG2 3.81Å; V282-I310 HydrophobicContact CB-CD1 4.11Å; V282-I310 HydrophobicContact CG1-CD1 4.37Å; V282-I310 HydrophobicContact CG2-CD1 4.16Å
283S92.9Very high91.1Very high23 Ų2368.9 Ų68.916%0.16135%0.351CS..EExtended strand (participates in β ladder)trans-119.4149.7164.1-57.20000109.2S306 I308 L309 I310S283-S306 WeakPolarHBondContact CB-OG 3.38Å; S283-S306 WeakPolarHBondContact OG-CB 3.29Å; S283-S306 PolarHBondContact OG-OG 3.04Å; S283-I308 PolarHBondContact N-O 3.39Å; S283-L309 CarbonylContact O-C 3.4Å; S283-L309 WeakPolarHBondContact O-CA 3.42Å; S283-I310 PolarHBondContact O-N 3.48Å
284A93.8Very high90.8Very high19 Ų1964.8 Ų64.816%0.15733%0.329CS..EExtended strand (participates in β ladder)trans-128.5135.3-176.700000109.9V268 T272 M289 I297 I310V268-A284 HydrophobicContact CG1-CB 3.98Å; T272-A284 HydrophobicContact CG2-CB 3.78Å; T272-A284 WeakPolarHBondContact OG1-CB 3.46Å; A284-M289 WeakPolarHBondContact O-CE 3.3Å; A284-I297 WeakPolarHBondContact O-CD1 3.3Å; A284-I310 CarbonylContact C-O 3.59Å; A284-I310 VanDerWaalsContact CA-O 3.27Å; A284-I310 WeakPolarHBondContact CA-O 3.19Å
285M91.1Very high90.4Very high0 Ų064.5 Ų64.50%033%0.329CS..EExtended strand (participates in β ladder)trans-139.4133.3177.4-172.6164.368.400113.6M289 R294 I297 M298 L309 I310 S311 L315M285-M289 VanDerWaalsContact CA-SD 3.51Å; M285-M289 HydrophobicContact CB-SD 4.26Å; M285-M289 HydrophobicContact CG-SD 4.13Å; M285-R294 HydrophobicContact CG-CB 4.49Å; M285-R294 HydrophobicContact CG-CG 4Å; M285-R294 VanDerWaalsContact SD-CA 3.52Å; M285-R294 HydrophobicContact SD-CB 3.52Å; M285-R294 VanDerWaalsContact SD-CB 3.52Å; M285-R294 HydrophobicContact SD-CG 3.68Å; M285-I297 HydrophobicContact CB-CG2 4.21Å; M285-I297 HydrophobicContact SD-CB 4.46Å; M285-I297 HydrophobicContact SD-CG2 4.4Å; M285-M298 HydrophobicContact CE-CG 3.58Å; M285-M298 HydrophobicContact CE-SD 3.35Å; M285-M298 WeakPolarHBondContact CE-SD 3.34Å; M285-M298 HydrophobicContact SD-CG 4.11Å; M285-L309 HydrophobicContact CB-CD1 4.28Å; M285-I310 PolarHBondContact N-O 2.9Å; M285-S311 WeakPolarHBondContact O-CA 3.43Å; M285-S311 WeakPolarHBondContact O-CB 3.49Å; M285-S311 PolarHBondContact O-OG 3.49Å; M285-L315 HydrophobicContact CB-CD1 4.07Å; M285-L315 HydrophobicContact CE-CD1 3.11Å; M285-L315 HydrophobicContact CE-CD2 3.19Å; M285-L315 HydrophobicContact CE-CG 3.69Å; M285-L315 HydrophobicContact CG-CD1 4.39Å
286H89.1Confident90.3Very high13 Ų1369.4 Ų69.46%0.0636%0.355CS..  trans-147.5172.6178.159.973.2000112.1R265 E269 E288 M289 T312R265-H286 HydrophobicContact CG-CB 4.36Å; R265-H286 VanDerWaalsContact CZ-CE1 3.48Å; R265-H286 PolarHBondContact NE-CE1 3.11Å; R265-H286 PolarHBondContact NE-NE2 3.5Å; E269-H286 IonicContact OE1-CE1 2.74Å; E269-H286 IonicContact OE1-NE2 3.23Å; E269-H286 PolarHBondContact OE1-NE2 3.46Å; H286-E288 VanDerWaalsContact C-N 3.34Å; H286-E288 PolarHBondContact O-N 2.95Å; H286-M289 WeakPolarHBondContact CE1-CG 3.42Å; H286-M289 PolarHBondContact N-SD 2.65Å; H286-M289 VanDerWaalsContact N-SD 3.37Å; H286-M289 PolarHBondContact O-N 3.02Å; H286-T312 HydrophobicContact CB-CG2 4.42Å
287G83.4Confident90.2Very high41 Ų4166.1 Ų66.142%0.42334%0.339SS..THydrogen-bonded Turntrans-66.3-28.7-166.300000115.8
288E85.7Confident89.9Confident141 Ų14159.3 Ų59.366%0.65931%0.307SS*.THydrogen-bonded Turntrans-85.1-0.2-177.5-69.6175.5118.700114.8R265 H286R265-E288 WeakPolarHBondContact CD-OE2 3.45Å; R265-E288 IonicContact CZ-OE2 3.6Å; R265-E288 IonicContact NE-OE2 3.03Å; R265-E288 PolarHBondContact NE-OE2 3.07Å; R265-E288 IonicContact NH1-OE1 3.86Å; R265-E288 IonicContact NH1-OE2 3.88Å; R265-E288 PolarHBondContact NH1-OE2 3.34Å; H286-E288 VanDerWaalsContact C-N 3.34Å; H286-E288 PolarHBondContact O-N 2.95Å
289M88.7Confident89.7Confident21 Ų2159.4 Ų59.410%0.10332%0.317CS..SBendtrans-74.9149.6174.7-62.3171.779.400111.3A284 M285 H286 E293 R294 I297A284-M289 WeakPolarHBondContact O-CE 3.3Å; M285-M289 VanDerWaalsContact CA-SD 3.51Å; M285-M289 HydrophobicContact CB-SD 4.26Å; M285-M289 HydrophobicContact CG-SD 4.13Å; H286-M289 WeakPolarHBondContact CE1-CG 3.42Å; H286-M289 PolarHBondContact N-SD 2.65Å; H286-M289 VanDerWaalsContact N-SD 3.37Å; H286-M289 PolarHBondContact O-N 3.02Å; M289-E293 HydrophobicContact CE-CB 4.47Å; M289-E293 HydrophobicContact CE-CG 3.63Å; M289-E293 WeakPolarHBondContact CE-OE1 3.25Å; M289-R294 HydrophobicContact CB-CG 3.85Å; M289-I297 HydrophobicContact CE-CD1 3.36Å; M289-I297 HydrophobicContact SD-CD1 4.45Å
290E91.4Very high89.6Confident140 Ų14053.4 Ų53.465%0.65429%0.289SS*.  trans-61.4146.4173.7-73.6-62.4156.600110.9I292 E293 R294E290-I292 VanDerWaalsContact C-N 3.27Å; E290-I292 PolarHBondContact O-N 2.83Å; E290-E293 WeakPolarHBondContact O-CB 3.13Å; E290-E293 PolarHBondContact O-N 3.07Å; E290-E293 VanDerWaalsContact O-N 3.11Å; E290-R294 WeakPolarHBondContact O-CG 3.32Å; E290-R294 PolarHBondContact O-N 3.23Å; E290-R294 VanDerWaalsContact O-N 3.09Å
291Q88.3Confident89.6Confident3 Ų351.1 Ų51.11%0.01428%0.279CS..Hα-helixtrans-62.8-36.8-173.5-172.856.640.800112.6E95 E293 R294 D295E95-Q291 PolarHBondContact OE1-NE2 3.28Å; Q291-E293 VanDerWaalsContact C-N 3.27Å; Q291-E293 PolarHBondContact O-N 3.23Å; Q291-R294 PolarHBondContact O-N 2.74Å; Q291-D295 PolarHBondContact NE2-OD1 2.87Å; Q291-D295 PolarHBondContact O-N 2.96Å
292I91.9Very high89.5Confident127 Ų12748.7 Ų48.765%0.65126%0.261SS*.Hα-helixtrans-61.5-40.3178.5-63.5171.2000110.4E290 D295 N296E290-I292 VanDerWaalsContact C-N 3.27Å; E290-I292 PolarHBondContact O-N 2.83Å; I292-D295 PolarHBondContact O-N 2.83Å; I292-N296 PolarHBondContact O-N 3.08Å; I292-N296 PolarHBondContact O-ND2 2.95Å
293E92.6Very high89.2Confident96 Ų9651.5 Ų51.545%0.44928%0.281SS..Hα-helixtrans-66.3-45.5178-166.1-178.1-176.600111.1M289 E290 Q291 D295 N296 I297M289-E293 HydrophobicContact CE-CB 4.47Å; M289-E293 HydrophobicContact CE-CG 3.63Å; M289-E293 WeakPolarHBondContact CE-OE1 3.25Å; E290-E293 WeakPolarHBondContact O-CB 3.13Å; E290-E293 PolarHBondContact O-N 3.07Å; E290-E293 VanDerWaalsContact O-N 3.11Å; Q291-E293 VanDerWaalsContact C-N 3.27Å; Q291-E293 PolarHBondContact O-N 3.23Å; E293-D295 VanDerWaalsContact C-N 3.31Å; E293-D295 PolarHBondContact O-N 2.71Å; E293-N296 PolarHBondContact O-N 3.31Å; E293-I297 HydrophobicContact CG-CD1 4.21Å; E293-I297 WeakPolarHBondContact O-CG1 3.23Å; E293-I297 PolarHBondContact O-N 2.91Å
294R90Very high88.8Confident8 Ų851.6 Ų51.63%0.0329%0.286CS..Hα-helixtrans-57.3-43.7174.9-66.6170.960.7155.72.1112E95 M285 M289 E290 Q291 I297 M298E95-R294 IonicContact OE1-CZ 3.66Å; E95-R294 IonicContact OE1-NE 2.63Å; E95-R294 PolarHBondContact OE1-NE 3.22Å; E95-R294 IonicContact OE1-NH2 3.91Å; E95-R294 PolarHBondContact OE1-NH2 3.03Å; E95-R294 IonicContact OE2-CZ 3.23Å; E95-R294 IonicContact OE2-NH2 2.66Å; E95-R294 PolarHBondContact OE2-NH2 3.28Å; M285-R294 HydrophobicContact CG-CB 4.49Å; M285-R294 HydrophobicContact CG-CG 4Å; M285-R294 VanDerWaalsContact SD-CA 3.52Å; M285-R294 HydrophobicContact SD-CB 3.52Å; M285-R294 VanDerWaalsContact SD-CB 3.52Å; M285-R294 HydrophobicContact SD-CG 3.68Å; M289-R294 HydrophobicContact CB-CG 3.85Å; E290-R294 WeakPolarHBondContact O-CG 3.32Å; E290-R294 PolarHBondContact O-N 3.23Å; E290-R294 VanDerWaalsContact O-N 3.09Å; Q291-R294 PolarHBondContact O-N 2.74Å; R294-I297 PolarHBondContact O-N 3.36Å; R294-M298 WeakPolarHBondContact O-CB 3.38Å; R294-M298 WeakPolarHBondContact O-CG 3.35Å; R294-M298 PolarHBondContact O-N 2.89Å
295D88.9Confident88.3Confident42 Ų4255 Ų5523%0.22531%0.309CS..Hα-helixtrans-63.8-41.9178.2-66.6-25.3000112K98 Q291 I292 E293 M298 T299K98-D295 IonicContact NZ-OD1 3.96Å; K98-D295 PolarHBondContact NZ-OD1 3.42Å; K98-D295 IonicContact NZ-OD2 3.47Å; K98-D295 PolarHBondContact NZ-OD2 2.88Å; Q291-D295 PolarHBondContact NE2-OD1 2.87Å; Q291-D295 PolarHBondContact O-N 2.96Å; I292-D295 PolarHBondContact O-N 2.83Å; E293-D295 VanDerWaalsContact C-N 3.31Å; E293-D295 PolarHBondContact O-N 2.71Å; D295-M298 PolarHBondContact O-N 2.85Å; D295-T299 WeakPolarHBondContact O-CB 3.3Å; D295-T299 PolarHBondContact O-N 2.85Å; D295-T299 PolarHBondContact O-OG1 2.79Å
296N92.4Very high88.1Confident103 Ų10355.2 Ų55.255%0.55131%0.31SS*.Hα-helixtrans-64.1-44.1177-71-21.8000111.5I292 E293 T299 A300I292-N296 PolarHBondContact O-N 3.08Å; I292-N296 PolarHBondContact O-ND2 2.95Å; E293-N296 PolarHBondContact O-N 3.31Å; N296-T299 PolarHBondContact O-N 3.38Å; N296-A300 WeakPolarHBondContact O-CB 3.26Å; N296-A300 PolarHBondContact O-N 3.22Å
297I91.5Very high88Confident21 Ų2162.2 Ų62.211%0.10834%0.336CS..Hα-helixtrans-63.8-44.9177.8-68.6173.1000110.8A284 M285 M289 E293 R294 T299 A300 F301 L309A284-I297 WeakPolarHBondContact O-CD1 3.3Å; M285-I297 HydrophobicContact CB-CG2 4.21Å; M285-I297 HydrophobicContact SD-CB 4.46Å; M285-I297 HydrophobicContact SD-CG2 4.4Å; M289-I297 HydrophobicContact CE-CD1 3.36Å; M289-I297 HydrophobicContact SD-CD1 4.45Å; E293-I297 HydrophobicContact CG-CD1 4.21Å; E293-I297 WeakPolarHBondContact O-CG1 3.23Å; E293-I297 PolarHBondContact O-N 2.91Å; R294-I297 PolarHBondContact O-N 3.36Å; I297-T299 VanDerWaalsContact C-N 3.27Å; I297-T299 PolarHBondContact O-N 3.39Å; I297-A300 PolarHBondContact O-N 3.43Å; I297-F301 VanDerWaalsContact O-CB 3.32Å; I297-F301 WeakPolarHBondContact O-CB 3.37Å; I297-F301 PolarHBondContact O-N 2.93Å; I297-L309 HydrophobicContact CG2-CD1 3.78Å
298M87.4Confident88.4Confident4 Ų460.8 Ų60.82%0.0232%0.318CS..Hα-helixtrans-63-35.2175.8-76.9-52.9-54.400112.6E95 M285 R294 D295 R302 I319 V321E95-M298 HydrophobicContact CG-CG 4.05Å; M285-M298 HydrophobicContact CE-CG 3.58Å; M285-M298 HydrophobicContact CE-SD 3.35Å; M285-M298 WeakPolarHBondContact CE-SD 3.34Å; M285-M298 HydrophobicContact SD-CG 4.11Å; R294-M298 WeakPolarHBondContact O-CB 3.38Å; R294-M298 WeakPolarHBondContact O-CG 3.35Å; R294-M298 PolarHBondContact O-N 2.89Å; D295-M298 PolarHBondContact O-N 2.85Å; M298-R302 VanDerWaalsContact O-CB 3.3Å; M298-R302 WeakPolarHBondContact O-CB 3.46Å; M298-R302 VanDerWaalsContact O-CG 3.22Å; M298-R302 WeakPolarHBondContact O-CG 3.16Å; M298-R302 PolarHBondContact O-N 2.96Å; M298-I319 HydrophobicContact CE-CB 4.37Å; M298-I319 HydrophobicContact CE-CD1 3.92Å; M298-I319 HydrophobicContact CE-CG1 4.02Å; M298-I319 HydrophobicContact CE-CG2 3.43Å; M298-I319 VanDerWaalsContact CE-CG2 3.43Å; M298-I319 HydrophobicContact SD-CD1 3.83Å; M298-I319 HydrophobicContact SD-CG2 4.5Å; M298-V321 HydrophobicContact CE-CG2 4.32Å
299T88.5Confident88.7Confident87 Ų8754.2 Ų54.253%0.53429%0.288SS..Hα-helixtrans-68.1-49175.4-58.60000111D295 N296 I297 F301 R302 S303D295-T299 WeakPolarHBondContact O-CB 3.3Å; D295-T299 PolarHBondContact O-N 2.85Å; D295-T299 PolarHBondContact O-OG1 2.79Å; N296-T299 PolarHBondContact O-N 3.38Å; I297-T299 VanDerWaalsContact C-N 3.27Å; I297-T299 PolarHBondContact O-N 3.39Å; T299-F301 VanDerWaalsContact C-N 3.31Å; T299-F301 PolarHBondContact O-N 3.34Å; T299-R302 PolarHBondContact O-N 3.37Å; T299-S303 WeakPolarHBondContact O-CB 3.32Å; T299-S303 PolarHBondContact O-N 3.42Å; T299-S303 PolarHBondContact O-OG 3.09Å
300A88.9Confident89Confident30 Ų3053.2 Ų53.225%0.24828%0.283CS..Hα-helixtrans-63-36.3178.500000112.7N296 I297 S303 G304 S305 S306N296-A300 WeakPolarHBondContact O-CB 3.26Å; N296-A300 PolarHBondContact O-N 3.22Å; I297-A300 PolarHBondContact O-N 3.43Å; A300-S303 WeakPolarHBondContact CA-OG 3.33Å; A300-S303 PolarHBondContact O-OG 3.29Å; A300-G304 PolarHBondContact O-N 3.2Å; A300-S305 WeakPolarHBondContact O-CA 3.42Å; A300-S305 WeakPolarHBondContact O-CB 3.37Å; A300-S305 PolarHBondContact O-N 3.41Å; A300-S306 PolarHBondContact O-N 2.79Å
301F87.6Confident89.1Confident1 Ų146.5 Ų46.50%0.00425%0.252CS..Hα-helixtrans-72.1-45.4174.5-169.3-117.3000110.7Q257 V259 I297 T299 S303 G304 S306 L309 V321 I324Q257-F301 HydrophobicContact CB-CE2 4.08Å; Q257-F301 HydrophobicContact CB-CZ 4.16Å; Q257-F301 PolarHBondContact NE2-O 2.65Å; V259-F301 HydrophobicContact CG2-CE1 4.03Å; V259-F301 HydrophobicContact CG2-CZ 3.74Å; I297-F301 VanDerWaalsContact O-CB 3.32Å; I297-F301 WeakPolarHBondContact O-CB 3.37Å; I297-F301 PolarHBondContact O-N 2.93Å; T299-F301 VanDerWaalsContact C-N 3.31Å; T299-F301 PolarHBondContact O-N 3.34Å; F301-S303 VanDerWaalsContact C-N 3.3Å; F301-S303 PolarHBondContact O-N 2.93Å; F301-G304 PolarHBondContact O-N 3.4Å; F301-G304 VanDerWaalsContact O-N 3.11Å; F301-S306 WeakPolarHBondContact CD2-O 3.38Å; F301-L309 HydrophobicContact CD1-CB 4.29Å; F301-L309 HydrophobicContact CD1-CD2 3.68Å; F301-L309 HydrophobicContact CD2-CB 3.72Å; F301-L309 HydrophobicContact CE1-CB 4.13Å; F301-L309 HydrophobicContact CE1-CD2 3.82Å; F301-L309 HydrophobicContact CE2-CB 3.54Å; F301-L309 HydrophobicContact CG-CB 4.11Å; F301-L309 HydrophobicContact CG-CD2 4.06Å; F301-L309 HydrophobicContact CZ-CB 3.76Å; F301-L309 HydrophobicContact CZ-CD2 4.31Å; F301-V321 HydrophobicContact CD1-CB 4.38Å; F301-V321 HydrophobicContact CD1-CG1 4.06Å; F301-V321 HydrophobicContact CD1-CG2 3.77Å; F301-V321 HydrophobicContact CE1-CB 4.07Å; F301-V321 HydrophobicContact CE1-CG1 3.78Å; F301-V321 HydrophobicContact CE1-CG2 3.88Å; F301-I324 HydrophobicContact CE1-CD1 4.04Å; F301-I324 HydrophobicContact CE1-CG1 4.05Å; F301-I324 HydrophobicContact CZ-CD1 4.39Å; F301-I324 HydrophobicContact CZ-CG1 4.04Å
302R83.6Confident89.2Confident84 Ų8447.5 Ų47.532%0.31726%0.258SS..Hα-helixtrans-62.6-32.6177.1-76.8172.7-179.8152.61.3113.9M298 T299 G304 V321M298-R302 VanDerWaalsContact O-CB 3.3Å; M298-R302 WeakPolarHBondContact O-CB 3.46Å; M298-R302 VanDerWaalsContact O-CG 3.22Å; M298-R302 WeakPolarHBondContact O-CG 3.16Å; M298-R302 PolarHBondContact O-N 2.96Å; T299-R302 PolarHBondContact O-N 3.37Å; R302-G304 VanDerWaalsContact C-N 3.28Å; R302-V321 HydrophobicContact CG-CG2 3.97Å
303S84.9Confident88.9Confident77 Ų7743 Ų4354%0.53824%0.235SC..THydrogen-bonded Turntrans-76.9-11.7177.363.50000113.8T299 A300 F301 S305T299-S303 WeakPolarHBondContact O-CB 3.32Å; T299-S303 PolarHBondContact O-N 3.42Å; T299-S303 PolarHBondContact O-OG 3.09Å; A300-S303 WeakPolarHBondContact CA-OG 3.33Å; A300-S303 PolarHBondContact O-OG 3.29Å; F301-S303 VanDerWaalsContact C-N 3.3Å; F301-S303 PolarHBondContact O-N 2.93Å; S303-S305 VanDerWaalsContact C-N 3.27Å; S303-S305 WeakPolarHBondContact OG-CB 3.42Å; S303-S305 PolarHBondContact OG-N 3.32Å; S303-S305 PolarHBondContact OG-OG 3.3Å
304G84.2Confident88Confident25 Ų2540.1 Ų40.126%0.25822%0.223SC..THydrogen-bonded Turntrans78.76.7-17200000114.3A300 F301 R302 S306A300-G304 PolarHBondContact O-N 3.2Å; F301-G304 PolarHBondContact O-N 3.4Å; F301-G304 VanDerWaalsContact O-N 3.11Å; R302-G304 VanDerWaalsContact C-N 3.28Å; G304-S306 VanDerWaalsContact C-N 3.26Å; G304-S306 PolarHBondContact O-N 3.27Å
305S85.2Confident87.1Confident92 Ų9240 Ų4064%0.64322%0.223SC*.SBendtrans-65-33.5174.1-60.20000111.7A300 S303A300-S305 WeakPolarHBondContact O-CA 3.42Å; A300-S305 WeakPolarHBondContact O-CB 3.37Å; A300-S305 PolarHBondContact O-N 3.41Å; S303-S305 VanDerWaalsContact C-N 3.27Å; S303-S305 WeakPolarHBondContact OG-CB 3.42Å; S303-S305 PolarHBondContact OG-N 3.32Å; S303-S305 PolarHBondContact OG-OG 3.3Å
306S85.5Confident85.9Confident3 Ų338 Ų382%0.02121%0.212CC..  trans-109.2130165.7-178.90000109.8Q257 S283 A300 F301 G304 I308Q257-S306 PolarHBondContact NE2-O 3.45Å; S283-S306 WeakPolarHBondContact CB-OG 3.38Å; S283-S306 WeakPolarHBondContact OG-CB 3.29Å; S283-S306 PolarHBondContact OG-OG 3.04Å; A300-S306 PolarHBondContact O-N 2.79Å; F301-S306 WeakPolarHBondContact CD2-O 3.38Å; G304-S306 VanDerWaalsContact C-N 3.26Å; G304-S306 PolarHBondContact O-N 3.27Å; S306-I308 PolarHBondContact OG-O 3.07Å
307R87.7Confident84.7Confident161 Ų16133.1 Ų33.161%0.60819%0.186SC*.SBendtrans-96.1-22179.3-64.9-167.6-177.5-174.23113.1Q257 A258Q257-R307 CarbonylContact C-O 3.54Å; Q257-R307 WeakPolarHBondContact CA-O 3.49Å; A258-R307 PolarHBondContact N-O 3.26Å
308I91.5Very high83.1Confident10 Ų1032.3 Ų32.35%0.05118%0.182CC..EExtended strand (participates in β ladder)trans-122.4120.6-177-57.6171.7000108.2Y250 I260 F280 V282 S283 S306 I310Y250-I308 HydrophobicContact CD1-CD1 3.89Å; Y250-I308 HydrophobicContact CE1-CD1 3.24Å; Y250-I308 HydrophobicContact CE1-CG1 3.6Å; Y250-I308 HydrophobicContact CE2-CD1 4.27Å; I260-I308 HydrophobicContact CD1-CG2 3.72Å; I260-I308 HydrophobicContact CG1-CG2 4.16Å; F280-I308 HydrophobicContact CD1-CD1 4.07Å; V282-I308 HydrophobicContact CB-CB 4.32Å; V282-I308 HydrophobicContact CB-CG2 4.3Å; V282-I308 HydrophobicContact CG1-CB 3.89Å; V282-I308 HydrophobicContact CG1-CD1 4.03Å; V282-I308 HydrophobicContact CG1-CG2 3.81Å; S283-I308 PolarHBondContact N-O 3.39Å; S306-I308 PolarHBondContact OG-O 3.07Å; I308-I310 HydrophobicContact CG2-CG1 4.26Å
309L92.8Very high82.1Confident3 Ų332.3 Ų32.32%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-112.7118.6173.2178.763.1000110.2A258 V259 I260 S283 M285 I297 F301 L315A258-L309 PolarHBondContact O-N 3.09Å; V259-L309 CarbonylContact C-O 3.51Å; V259-L309 VanDerWaalsContact CA-O 3.3Å; V259-L309 WeakPolarHBondContact CA-O 3.36Å; V259-L309 HydrophobicContact CG2-CB 4.5Å; I260-L309 PolarHBondContact N-O 3.22Å; S283-L309 CarbonylContact O-C 3.4Å; S283-L309 WeakPolarHBondContact O-CA 3.42Å; M285-L309 HydrophobicContact CB-CD1 4.28Å; I297-L309 HydrophobicContact CG2-CD1 3.78Å; F301-L309 HydrophobicContact CD1-CB 4.29Å; F301-L309 HydrophobicContact CD1-CD2 3.68Å; F301-L309 HydrophobicContact CD2-CB 3.72Å; F301-L309 HydrophobicContact CE1-CB 4.13Å; F301-L309 HydrophobicContact CE1-CD2 3.82Å; F301-L309 HydrophobicContact CE2-CB 3.54Å; F301-L309 HydrophobicContact CG-CB 4.11Å; F301-L309 HydrophobicContact CG-CD2 4.06Å; F301-L309 HydrophobicContact CZ-CB 3.76Å; F301-L309 HydrophobicContact CZ-CD2 4.31Å; L309-L315 HydrophobicContact CD2-CD1 3.74Å; L309-L315 HydrophobicContact CG-CD1 4.3Å
310I94.5Very high81Confident0 Ų030 Ų300%017%0.167CC..EExtended strand (participates in β ladder)trans-98.7129.6175.9-47.6172.1000108.1I260 V268 L271 L275 V282 S283 A284 M285 I308I260-I310 HydrophobicContact CB-CG1 4.38Å; I260-I310 HydrophobicContact CB-CG2 4.45Å; I260-I310 HydrophobicContact CD1-CG1 4.37Å; I260-I310 CarbonylContact O-C 3.57Å; I260-I310 WeakPolarHBondContact O-CA 3.17Å; V268-I310 HydrophobicContact CB-CG2 4.36Å; V268-I310 HydrophobicContact CG1-CB 4.38Å; V268-I310 HydrophobicContact CG1-CG2 3.96Å; V268-I310 HydrophobicContact CG2-CG2 4.32Å; L271-I310 HydrophobicContact CD2-CD1 4.46Å; L271-I310 HydrophobicContact CD2-CG2 4.05Å; L271-I310 HydrophobicContact CG-CD1 4.2Å; L275-I310 HydrophobicContact CD1-CD1 3.76Å; V282-I310 HydrophobicContact CB-CD1 4.11Å; V282-I310 HydrophobicContact CG1-CD1 4.37Å; V282-I310 HydrophobicContact CG2-CD1 4.16Å; S283-I310 PolarHBondContact O-N 3.48Å; A284-I310 CarbonylContact C-O 3.59Å; A284-I310 VanDerWaalsContact CA-O 3.27Å; A284-I310 WeakPolarHBondContact CA-O 3.19Å; M285-I310 PolarHBondContact N-O 2.9Å; I308-I310 HydrophobicContact CG2-CG1 4.26Å
311S93.7Very high80Confident0 Ų028.9 Ų28.90%016%0.157CC..EExtended strand (participates in β ladder)trans-153.1166.3-177.9-161.90000113.9I260 F261 C262 M285 L315I260-S311 PolarHBondContact O-N 3.36Å; F261-S311 WeakPolarHBondContact CA-O 3.39Å; C262-S311 PolarHBondContact N-O 3.32Å; M285-S311 WeakPolarHBondContact O-CA 3.43Å; M285-S311 WeakPolarHBondContact O-CB 3.49Å; M285-S311 PolarHBondContact O-OG 3.49Å; S311-L315 WeakPolarHBondContact OG-CD1 3.37Å; S311-L315 WeakPolarHBondContact OG-CG 3.02Å
312T90.6Very high78.9Confident24 Ų2433.4 Ų33.415%0.14718%0.178CC..  trans-83-178.1163.564.10000110.6F261 C262 V268 H286 L314 L315F261-T312 WeakPolarHBondContact CD1-O 3.34Å; C262-T312 WeakPolarHBondContact O-CA 3.48Å; V268-T312 HydrophobicContact CG2-CG2 3.73Å; H286-T312 HydrophobicContact CB-CG2 4.42Å; T312-L314 PolarHBondContact O-N 3.23Å; T312-L315 PolarHBondContact O-N 2.94Å
313D84.2Confident78.3Confident32 Ų3234.5 Ų34.517%0.17119%0.187CC..G310 helixtrans-56.9-13.3174.2-80.3-51.7000114.9L315 S316 R342D313-L315 PolarHBondContact O-N 3.28Å; D313-S316 VanDerWaalsContact O-CB 3.29Å; D313-S316 WeakPolarHBondContact O-CB 3.3Å; D313-S316 PolarHBondContact O-N 2.97Å; D313-S316 PolarHBondContact O-OG 2.96Å; D313-R342 VanDerWaalsContact CG-NH2 3.26Å; D313-R342 IonicContact OD1-CZ 2.78Å; D313-R342 VanDerWaalsContact OD1-CZ 3.31Å; D313-R342 IonicContact OD1-NE 3.31Å; D313-R342 PolarHBondContact OD1-NE 3.25Å; D313-R342 IonicContact OD1-NH2 3.87Å; D313-R342 PolarHBondContact OD1-NH2 3.48Å; D313-R342 VanDerWaalsContact OD1-NH2 3.16Å; D313-R342 IonicContact OD2-CZ 2.73Å; D313-R342 IonicContact OD2-NE 2.9Å; D313-R342 IonicContact OD2-NH2 3.03Å; D313-R342 PolarHBondContact OD2-NH2 3Å
314L74Confident78Confident36 Ų3631.1 Ų31.119%0.18816%0.163CC..G310 helixtrans-50-32.8174.8-174.870000112.8T93 T312T93-L314 HydrophobicContact CG2-CD1 4.29Å; T312-L314 PolarHBondContact O-N 3.23Å
315L72.4Confident77.9Confident5 Ų531 Ų313%0.02616%0.158CC..G310 helixtrans-106.92.5179.9-52.8-174.6000114.8F261 M285 L309 S311 T312 D313 R317 I319F261-L315 HydrophobicContact CE1-CB 4.43Å; M285-L315 HydrophobicContact CB-CD1 4.07Å; M285-L315 HydrophobicContact CE-CD1 3.11Å; M285-L315 HydrophobicContact CE-CD2 3.19Å; M285-L315 HydrophobicContact CE-CG 3.69Å; M285-L315 HydrophobicContact CG-CD1 4.39Å; L309-L315 HydrophobicContact CD2-CD1 3.74Å; L309-L315 HydrophobicContact CG-CD1 4.3Å; S311-L315 WeakPolarHBondContact OG-CD1 3.37Å; S311-L315 WeakPolarHBondContact OG-CG 3.02Å; T312-L315 PolarHBondContact O-N 2.94Å; D313-L315 PolarHBondContact O-N 3.28Å; L315-R317 PolarHBondContact O-N 3.32Å; L315-I319 HydrophobicContact CB-CD1 3.73Å; L315-I319 HydrophobicContact CD1-CD1 4.14Å; L315-I319 HydrophobicContact CD2-CD1 3.19Å; L315-I319 HydrophobicContact CG-CD1 3.82Å
316S62.7Low78.1Confident0 Ų026.7 Ų26.70%013%0.127CC..SBendtrans-58.7-19.8172.4690000111.1D313 H341 R345D313-S316 VanDerWaalsContact O-CB 3.29Å; D313-S316 WeakPolarHBondContact O-CB 3.3Å; D313-S316 PolarHBondContact O-N 2.97Å; D313-S316 PolarHBondContact O-OG 2.96Å; S316-H341 CarbonylContact O-C 3.59Å; S316-R345 VanDerWaalsContact O-CZ 3.23Å; S316-R345 PolarHBondContact O-NE 3.03Å; S316-R345 PolarHBondContact O-NH2 3.11Å
317R67.9Low78.3Confident1 Ų126.5 Ų26.50%0.00413%0.126CC..SBendtrans-126.3144.4-165.1-84-166.8-147-145.38.7113E166 D168 E169 L315 I319 H341 R345E166-R317 VanDerWaalsContact OE2-CB 3.23Å; E166-R317 WeakPolarHBondContact OE2-CB 3.38Å; D168-R317 IonicContact OD1-NH1 3.16Å; D168-R317 PolarHBondContact OD1-NH1 3.47Å; D168-R317 IonicContact OD2-CZ 3.31Å; D168-R317 IonicContact OD2-NH1 2.75Å; D168-R317 PolarHBondContact OD2-NH1 2.78Å; E169-R317 VanDerWaalsContact CB-CD 3.5Å; E169-R317 VanDerWaalsContact CB-NH1 3.29Å; E169-R317 VanDerWaalsContact CD-CD 3.41Å; E169-R317 VanDerWaalsContact CD-NE 3.31Å; E169-R317 VanDerWaalsContact CG-CD 3.47Å; E169-R317 IonicContact OE1-NE 2.69Å; E169-R317 IonicContact OE2-CZ 3.52Å; E169-R317 IonicContact OE2-NE 3.26Å; E169-R317 PolarHBondContact OE2-NE 2.89Å; E169-R317 IonicContact OE2-NH1 3.7Å; E169-R317 PolarHBondContact OE2-NH1 3.48Å; E169-R317 IonicContact OE2-NH2 3.91Å; E169-R317 PolarHBondContact OE2-NH2 2.8Å; L315-R317 PolarHBondContact O-N 3.32Å; R317-I319 VanDerWaalsContact C-N 3.26Å; R317-I319 PolarHBondContact O-N 2.81Å; R317-H341 HydrophobicContact CG-CB 3.62Å; R317-H341 PolarHBondContact NE-CD2 3.32Å; R317-H341 PolarHBondContact NH1-CE1 3.23Å; R317-H341 PolarHBondContact NH1-NE2 3.23Å; R317-H341 PolarHBondContact NH2-CD2 2.83Å; R317-H341 PolarHBondContact NH2-NE2 2.92Å; R317-R345 VanDerWaalsContact CA-NH2 3.34Å
318G58.3Low78.6Confident3 Ų318.9 Ų18.93%0.03110%0.097CC..SBendtrans72.2-34.3175.700000119.8Q99 E166 D320 R345Q99-G318 PolarHBondContact NE2-O 3.19Å; Q99-G318 PolarHBondContact OE1-O 2.85Å; Q99-G318 VanDerWaalsContact OE1-O 3.11Å; E166-G318 WeakPolarHBondContact OE1-CA 3.42Å; E166-G318 PolarHBondContact OE1-N 2.77Å; E166-G318 PolarHBondContact OE2-N 3.34Å; G318-D320 PolarHBondContact O-N 2.87Å; G318-R345 VanDerWaalsContact C-NH1 3.27Å
319I65.4Low78.8Confident5 Ų518.4 Ų18.43%0.02610%0.095CC..  trans-69.3117.1-172-73.2166.6000113.9E95 M298 L315 R317 V321 R345 R348E95-I319 HydrophobicContact CB-CD1 4.24Å; E95-I319 HydrophobicContact CB-CG1 4.11Å; E95-I319 HydrophobicContact CG-CD1 4.44Å; M298-I319 HydrophobicContact CE-CB 4.37Å; M298-I319 HydrophobicContact CE-CD1 3.92Å; M298-I319 HydrophobicContact CE-CG1 4.02Å; M298-I319 HydrophobicContact CE-CG2 3.43Å; M298-I319 VanDerWaalsContact CE-CG2 3.43Å; M298-I319 HydrophobicContact SD-CD1 3.83Å; M298-I319 HydrophobicContact SD-CG2 4.5Å; L315-I319 HydrophobicContact CB-CD1 3.73Å; L315-I319 HydrophobicContact CD1-CD1 4.14Å; L315-I319 HydrophobicContact CD2-CD1 3.19Å; L315-I319 HydrophobicContact CG-CD1 3.82Å; R317-I319 VanDerWaalsContact C-N 3.26Å; R317-I319 PolarHBondContact O-N 2.81Å; I319-V321 HydrophobicContact CG2-CG2 3.58Å; I319-R345 WeakPolarHBondContact O-CD 3.48Å; I319-R345 PolarHBondContact O-NH1 3.38Å; I319-R348 PolarHBondContact O-NH2 2.91Å
320D64.9Low79Confident39 Ų3918.2 Ų18.221%0.2099%0.094CC..  trans-90.296.2172-168.915000111.5Q99 G318 Q322 R348Q99-D320 VanDerWaalsContact CD-CB 3.48Å; Q99-D320 VanDerWaalsContact NE2-CB 3.32Å; G318-D320 PolarHBondContact O-N 2.87Å; D320-Q322 WeakPolarHBondContact OD1-CG 3.34Å; D320-R348 IonicContact OD1-CZ 3.38Å; D320-R348 IonicContact OD1-NE 3.69Å; D320-R348 IonicContact OD1-NH1 3.25Å; D320-R348 PolarHBondContact OD1-NH1 3.29Å; D320-R348 IonicContact OD2-NH1 3.69Å
321V67.7Low79.1Confident6 Ų619 Ų194%0.03610%0.098CC..  trans-122.4101165.8-178.90000105.7M298 F301 R302 I319 Q323 I324M298-V321 HydrophobicContact CE-CG2 4.32Å; F301-V321 HydrophobicContact CD1-CB 4.38Å; F301-V321 HydrophobicContact CD1-CG1 4.06Å; F301-V321 HydrophobicContact CD1-CG2 3.77Å; F301-V321 HydrophobicContact CE1-CB 4.07Å; F301-V321 HydrophobicContact CE1-CG1 3.78Å; F301-V321 HydrophobicContact CE1-CG2 3.88Å; R302-V321 HydrophobicContact CG-CG2 3.97Å; I319-V321 HydrophobicContact CG2-CG2 3.58Å; V321-Q323 PolarHBondContact O-N 2.96Å; V321-I324 HydrophobicContact CB-CD1 3.7Å; V321-I324 HydrophobicContact CB-CG1 3.9Å; V321-I324 HydrophobicContact CG1-CD1 4.21Å; V321-I324 HydrophobicContact CG1-CG1 3.86Å; V321-I324 PolarHBondContact O-N 2.83Å
322Q64.5Low79.2Confident96 Ų9619.1 Ų19.145%0.44910%0.099SC..THydrogen-bonded Turntrans-66.7-18.5-172-61.4-176.6-5.600113.5D320 R351D320-Q322 WeakPolarHBondContact OD1-CG 3.34Å; Q322-R351 PolarHBondContact O-NH1 3.3Å
323Q71.3Confident79.2Confident106 Ų10618 Ų1850%0.4959%0.092SC..THydrogen-bonded Turntrans-92.62.6-174-65.8-170.612.100114.1T256 Q257 V321 S325T256-Q323 PolarHBondContact OG1-O 2.8Å; Q257-Q323 HydrophobicContact CG-CB 4.45Å; Q257-Q323 VanDerWaalsContact OE1-CB 3.25Å; V321-Q323 PolarHBondContact O-N 2.96Å; Q323-S325 PolarHBondContact O-N 2.75Å; Q323-S325 VanDerWaalsContact O-N 3.14Å
324I78.5Confident79.3Confident7 Ų721.9 Ų21.94%0.03612%0.117CC..EExtended strand (participates in β ladder)trans-68.8111.2173.5-60.5167.1000108.1V259 F301 V321 L326 V327 R345 G346V259-I324 HydrophobicContact CG2-CD1 3.53Å; V259-I324 HydrophobicContact CG2-CG1 3.98Å; V259-I324 HydrophobicContact CG2-CG2 4.19Å; F301-I324 HydrophobicContact CE1-CD1 4.04Å; F301-I324 HydrophobicContact CE1-CG1 4.05Å; F301-I324 HydrophobicContact CZ-CD1 4.39Å; F301-I324 HydrophobicContact CZ-CG1 4.04Å; V321-I324 HydrophobicContact CB-CD1 3.7Å; V321-I324 HydrophobicContact CB-CG1 3.9Å; V321-I324 HydrophobicContact CG1-CD1 4.21Å; V321-I324 HydrophobicContact CG1-CG1 3.86Å; V321-I324 PolarHBondContact O-N 2.83Å; I324-L326 WeakPolarHBondContact CG2-O 3.49Å; I324-V327 HydrophobicContact CG2-CG2 4.07Å; I324-R345 HydrophobicContact CB-CB 4.34Å; I324-R345 HydrophobicContact CD1-CB 3.72Å; I324-R345 HydrophobicContact CD1-CG 4.23Å; I324-R345 HydrophobicContact CG2-CB 4.07Å; I324-G346 WeakPolarHBondContact O-CA 3.47Å
325S82.8Confident79.9Confident23 Ų2323.1 Ų23.116%0.16112%0.124CC..EExtended strand (participates in β ladder)trans-100.5-23.8174.849.70000112T256 Q257 Q323 V354T256-S325 PolarHBondContact OG1-OG 3.16Å; Q257-S325 PolarHBondContact O-N 2.75Å; Q323-S325 PolarHBondContact O-N 2.75Å; Q323-S325 VanDerWaalsContact O-N 3.14Å; S325-V354 PolarHBondContact O-N 3.47Å
326L88.5Confident80.5Confident0 Ų024.9 Ų24.90%013%0.133CC..EExtended strand (participates in β ladder)trans-127.7129.9-176.3179.854.8000111.8I253 I255 A258 V259 I324 I328 V354 I356 F389I253-L326 HydrophobicContact CD1-CD2 3.4Å; I253-L326 VanDerWaalsContact CD1-CD2 3.4Å; I255-L326 HydrophobicContact CD1-CD2 3.77Å; I255-L326 HydrophobicContact CG1-CD2 3.92Å; I255-L326 HydrophobicContact CG2-CB 4.33Å; A258-L326 VanDerWaalsContact CA-O 3.25Å; A258-L326 WeakPolarHBondContact CA-O 3.38Å; A258-L326 HydrophobicContact CB-CB 4.08Å; A258-L326 HydrophobicContact CB-CD2 4.3Å; A258-L326 HydrophobicContact CB-CG 4.26Å; V259-L326 PolarHBondContact N-O 2.72Å; I324-L326 WeakPolarHBondContact CG2-O 3.49Å; L326-I328 HydrophobicContact CD1-CG1 4.07Å; L326-I328 HydrophobicContact CD2-CD1 3.97Å; L326-I328 HydrophobicContact CD2-CG1 4.05Å; L326-I328 HydrophobicContact CG-CD1 4.34Å; L326-I328 HydrophobicContact CG-CG1 3.88Å; L326-V354 WeakPolarHBondContact CA-O 3.46Å; L326-V354 HydrophobicContact CD1-CB 4.13Å; L326-V354 HydrophobicContact CD1-CG1 4.1Å; L326-I356 HydrophobicContact CD1-CD1 3.86Å; L326-I356 HydrophobicContact CD1-CG1 3.92Å; L326-F389 HydrophobicContact CB-CE1 3.81Å; L326-F389 HydrophobicContact CB-CZ 4.49Å; L326-F389 HydrophobicContact CD1-CE1 3.81Å; L326-F389 HydrophobicContact CD1-CZ 3.83Å; L326-F389 HydrophobicContact CD2-CE1 4.08Å; L326-F389 HydrophobicContact CD2-CZ 3.96Å; L326-F389 HydrophobicContact CG-CE1 4.1Å; L326-F389 HydrophobicContact CG-CZ 4.31Å
327V90.7Very high81.4Confident0 Ų026.8 Ų26.80%014%0.142CC..EExtended strand (participates in β ladder)trans-114.6127.3165.6178.60000108.5V259 F261 I324 R345 V354 A355 I356V259-V327 WeakPolarHBondContact O-CA 3.4Å; F261-V327 HydrophobicContact CD2-CG1 3.79Å; F261-V327 HydrophobicContact CE2-CG1 3.81Å; I324-V327 HydrophobicContact CG2-CG2 4.07Å; V327-R345 HydrophobicContact CG2-CB 4.18Å; V327-V354 PolarHBondContact N-O 3.47Å; V327-A355 CarbonylContact O-C 3.57Å; V327-A355 VanDerWaalsContact O-CA 3.28Å; V327-A355 WeakPolarHBondContact O-CA 3.3Å; V327-I356 PolarHBondContact O-N 3.06Å
328I94.1Very high82.2Confident0 Ų027.3 Ų27.30%015%0.146CC..EExtended strand (participates in β ladder)trans-111.8116.4174.1-55.9177.8000108L246 L249 Y250 V259 I260 F261 L326 F330 I356 F358L246-I328 HydrophobicContact CD1-CD1 3.51Å; L246-I328 HydrophobicContact CD1-CG2 4.1Å; L249-I328 HydrophobicContact CD2-CD1 3.72Å; L249-I328 HydrophobicContact CD2-CG1 4.44Å; Y250-I328 HydrophobicContact CE2-CD1 4.03Å; V259-I328 PolarHBondContact O-N 2.66Å; I260-I328 CarbonylContact C-O 3.56Å; I260-I328 VanDerWaalsContact CA-O 3.3Å; I260-I328 WeakPolarHBondContact CA-O 3.13Å; I260-I328 HydrophobicContact CG1-CB 4.25Å; I260-I328 HydrophobicContact CG1-CD1 4.39Å; I260-I328 HydrophobicContact CG2-CB 4.38Å; I260-I328 HydrophobicContact CG2-CG2 4.44Å; F261-I328 PolarHBondContact N-O 2.85Å; L326-I328 HydrophobicContact CD1-CG1 4.07Å; L326-I328 HydrophobicContact CD2-CD1 3.97Å; L326-I328 HydrophobicContact CD2-CG1 4.05Å; L326-I328 HydrophobicContact CG-CD1 4.34Å; L326-I328 HydrophobicContact CG-CG1 3.88Å; I328-F330 PolarHBondContact O-N 2.86Å; I328-I356 CarbonylContact C-O 3.56Å; I328-I356 WeakPolarHBondContact CA-O 3.33Å; I328-F358 HydrophobicContact CG2-CE1 4.49Å; I328-F358 HydrophobicContact CG2-CE2 4.42Å; I328-F358 HydrophobicContact CG2-CZ 4.32Å
329N96Very high83.6Confident0 Ų027.2 Ų27.20%015%0.145CC..EExtended strand (participates in β ladder)trans-84.891.8165.6-70.4-42.5000107.4R342 I356 N357 F358N329-R342 WeakPolarHBondContact OD1-CD 3.39Å; N329-I356 PolarHBondContact N-O 3.22Å; N329-N357 WeakPolarHBondContact CB-OD1 3.47Å; N329-N357 PolarHBondContact ND2-OD1 2.95Å; N329-F358 PolarHBondContact O-N 2.81Å
330F97.2Very high84.4Confident0 Ų027.6 Ų27.60%015%0.147CC..SBendtrans-62.3-40174.7-166.7-81.5000109.8K242 L246 I260 F261 W270 L271 I328 F358K242-F330 HydrophobicContact CB-CD1 4.49Å; K242-F330 HydrophobicContact CB-CE1 3.68Å; K242-F330 HydrophobicContact CB-CE2 3.78Å; K242-F330 HydrophobicContact CB-CZ 3.29Å; K242-F330 HydrophobicContact CD-CD1 3.84Å; K242-F330 HydrophobicContact CD-CE1 3.53Å; K242-F330 HydrophobicContact CD-CZ 4.08Å; K242-F330 VanDerWaalsContact CD-O 3.26Å; K242-F330 WeakPolarHBondContact CD-O 3.41Å; K242-F330 WeakPolarHBondContact CE-O 3.28Å; K242-F330 HydrophobicContact CG-CE1 4.26Å; K242-F330 HydrophobicContact CG-CZ 4.32Å; K242-F330 PolarHBondContact NZ-O 2.95Å; L246-F330 HydrophobicContact CB-CE2 4.46Å; L246-F330 HydrophobicContact CD2-CD2 4.07Å; L246-F330 HydrophobicContact CD2-CE2 4.02Å; I260-F330 HydrophobicContact CG2-CB 3.74Å; I260-F330 HydrophobicContact CG2-CD2 4.38Å; I260-F330 HydrophobicContact CG2-CG 4.47Å; F261-F330 WeakPolarHBondContact O-CB 3.36Å; F261-F330 PolarHBondContact O-N 2.96Å; W270-F330 HydrophobicContact CH2-CZ 4.32Å; W270-F330 HydrophobicContact CZ3-CE1 4.1Å; W270-F330 AromaticContact CZ3-CZ 3.9Å; W270-F330 HydrophobicContact CZ3-CZ 3.9Å; L271-F330 HydrophobicContact CD1-CD2 4.31Å; L271-F330 HydrophobicContact CD1-CE2 3.72Å; L271-F330 HydrophobicContact CD1-CZ 4.07Å; L271-F330 HydrophobicContact CD2-CD2 3.68Å; L271-F330 HydrophobicContact CD2-CE2 3.94Å; L271-F330 HydrophobicContact CD2-CG 4.01Å; L271-F330 HydrophobicContact CG-CE2 4.5Å; I328-F330 PolarHBondContact O-N 2.86Å; F330-F358 HydrophobicContact CD2-CD2 4.07Å; F330-F358 HydrophobicContact CD2-CE2 4.18Å; F330-F358 HydrophobicContact CE2-CD2 4.39Å; F330-F358 HydrophobicContact CE2-CE2 4.38Å
331D96.5Very high85.1Confident16 Ų1625.8 Ų25.89%0.08614%0.137CC..SBendtrans-113.4138.7164.5-57.5-36.5000109.3K242 F261 C262 N263 R342K242-D331 IonicContact NZ-OD1 2.62Å; K242-D331 PolarHBondContact NZ-OD1 2.81Å; F261-D331 PolarHBondContact O-N 2.62Å; C262-D331 WeakPolarHBondContact CA-OD2 3.48Å; N263-D331 HydrophobicContact CB-CB 4.15Å; N263-D331 PolarHBondContact N-OD2 2.94Å; N263-D331 WeakPolarHBondContact ND2-CB 3.27Å; D331-R342 PolarHBondContact O-NH1 3.02Å
332L94.7Very high86Confident3 Ų325.5 Ų25.52%0.01614%0.135CC..  trans-61.6141.5167.7-76.8-174.1000110.2N263 T334 N357 V359 D363 L366 L367 L370N263-L332 PolarHBondContact ND2-O 3.37Å; N263-L332 PolarHBondContact OD1-O 3.48Å; L332-T334 PolarHBondContact O-N 3.22Å; L332-N357 HydrophobicContact CD2-CB 3.84Å; L332-V359 HydrophobicContact CD1-CG2 4.28Å; L332-V359 HydrophobicContact CG-CG2 4.49Å; L332-D363 HydrophobicContact CD1-CB 3.84Å; L332-L366 HydrophobicContact CB-CD2 3.74Å; L332-L366 HydrophobicContact CB-CG 4.39Å; L332-L366 HydrophobicContact CD1-CB 4.21Å; L332-L366 HydrophobicContact CD1-CD2 4.17Å; L332-L366 HydrophobicContact CD1-CG 4.1Å; L332-L367 HydrophobicContact CD1-CB 4.14Å; L332-L367 HydrophobicContact CD2-CD1 4.49Å; L332-L370 HydrophobicContact CD2-CD1 4.14Å
333P91.6Very high86.9Confident0 Ų021.1 Ų21.10%012%0.115CC..  trans-64.4136.817727.3-33.6000110.7N335 Y339 L370P333-N335 VanDerWaalsContact C-N 3.35Å; P333-Y339 HydrophobicContact CG-CD2 3.91Å; P333-Y339 HydrophobicContact CG-CG 4.38Å; P333-L370 HydrophobicContact CG-CD1 4.49Å
334T86.5Confident87.1Confident113 Ų11316 Ų1669%0.6939%0.091SC*.SBendtrans-72.6-27.4179.352.50000113.2L332L332-T334 PolarHBondContact O-N 3.22Å
335N85.2Confident86.5Confident62 Ų6215.9 Ų15.933%0.3329%0.09SC..SBendtrans-101.6129.6170.2-177.90.9000109.7P333 E337 S338P333-N335 VanDerWaalsContact C-N 3.35Å; N335-E337 PolarHBondContact ND2-OE2 3.37Å; N335-E337 PolarHBondContact O-N 3.21Å; N335-E337 PolarHBondContact OD1-N 2.87Å; N335-E337 VanDerWaalsContact OD1-N 3.09Å; N335-S338 WeakPolarHBondContact O-CB 3.15Å; N335-S338 PolarHBondContact O-N 3.35Å; N335-S338 VanDerWaalsContact O-N 3.14Å
336L85.2Confident85.3Confident42 Ų4214.9 Ų14.922%0.228%0.083CC..Hα-helixtrans-56.4-38177.9-57.9176.8000111.7S338 Y339 L366 D369 L370 F373 Y374L336-S338 VanDerWaalsContact C-N 3.3Å; L336-S338 PolarHBondContact O-N 3.06Å; L336-Y339 VanDerWaalsContact O-CB 3.28Å; L336-Y339 WeakPolarHBondContact O-CB 3.43Å; L336-Y339 PolarHBondContact O-N 3.15Å; L336-L366 HydrophobicContact CD2-CD1 3.99Å; L336-D369 HydrophobicContact CD2-CB 4.15Å; L336-L370 HydrophobicContact CB-CD2 4.15Å; L336-L370 HydrophobicContact CD2-CB 4.47Å; L336-L370 HydrophobicContact CD2-CD2 3.5Å; L336-L370 HydrophobicContact CD2-CG 3.69Å; L336-L370 HydrophobicContact CG-CD2 4.44Å; L336-F373 HydrophobicContact CB-CD1 4.18Å; L336-F373 HydrophobicContact CB-CE1 4.42Å; L336-F373 HydrophobicContact CB-CG 4.26Å; L336-F373 HydrophobicContact CD1-CB 3.98Å; L336-F373 HydrophobicContact CD1-CD2 3.79Å; L336-F373 HydrophobicContact CD1-CE2 4.44Å; L336-F373 HydrophobicContact CD1-CG 3.89Å; L336-Y374 VanDerWaalsContact O-CE2 3.25Å; L336-Y374 WeakPolarHBondContact O-CE2 3.2Å; L336-Y374 PolarHBondContact O-OH 3.23Å
337E80.8Confident83.7Confident40 Ų4015.4 Ų15.419%0.1879%0.089CC..Hα-helixtrans-62.3-35.5179.9-67.8173.3163.300112.7T198 N335 Y339 I340 H341 Y374T198-E337 HydrophobicContact CG2-CB 4.5Å; T198-E337 HydrophobicContact CG2-CG 4.46Å; N335-E337 PolarHBondContact ND2-OE2 3.37Å; N335-E337 PolarHBondContact O-N 3.21Å; N335-E337 PolarHBondContact OD1-N 2.87Å; N335-E337 VanDerWaalsContact OD1-N 3.09Å; E337-Y339 PolarHBondContact O-N 2.84Å; E337-I340 VanDerWaalsContact O-CG1 3.28Å; E337-I340 WeakPolarHBondContact O-CG1 3.41Å; E337-H341 PolarHBondContact O-CD2 2.8Å; E337-Y374 WeakPolarHBondContact CA-OH 3.2Å; E337-Y374 PolarHBondContact O-OH 2.62Å
338S84.7Confident82.3Confident13 Ų1316.3 Ų16.39%0.0919%0.092CC..Hα-helixtrans-64.8-23.6-179.7-62.30000112.9N335 L336 I340 H341 R342N335-S338 WeakPolarHBondContact O-CB 3.15Å; N335-S338 PolarHBondContact O-N 3.35Å; N335-S338 VanDerWaalsContact O-N 3.14Å; L336-S338 VanDerWaalsContact C-N 3.3Å; L336-S338 PolarHBondContact O-N 3.06Å; S338-I340 PolarHBondContact O-N 3.14Å; S338-H341 WeakPolarHBondContact O-CB 3.41Å; S338-H341 PolarHBondContact O-N 2.99Å; S338-R342 WeakPolarHBondContact O-CG 3.11Å; S338-R342 PolarHBondContact O-N 3.28Å
339Y88.2Confident80.6Confident1 Ų122.3 Ų22.30%0.00412%0.118CC..Hα-helixtrans-57.7-52.7-177.9-176.6-103.9000113.2Q231 P333 L336 E337 H341 R342 I343 N357 L370 Y374 I378Q231-Y339 PolarHBondContact OE1-OH 3.45Å; P333-Y339 HydrophobicContact CG-CD2 3.91Å; P333-Y339 HydrophobicContact CG-CG 4.38Å; L336-Y339 VanDerWaalsContact O-CB 3.28Å; L336-Y339 WeakPolarHBondContact O-CB 3.43Å; L336-Y339 PolarHBondContact O-N 3.15Å; E337-Y339 PolarHBondContact O-N 2.84Å; Y339-H341 PolarHBondContact O-N 3.5Å; Y339-R342 PolarHBondContact O-N 3.11Å; Y339-I343 HydrophobicContact CD1-CD1 4.13Å; Y339-I343 HydrophobicContact CD2-CG2 4.48Å; Y339-I343 HydrophobicContact CE1-CD1 3.59Å; Y339-I343 HydrophobicContact CE1-CG1 4.39Å; Y339-I343 HydrophobicContact CE1-CG2 4.36Å; Y339-I343 HydrophobicContact CE2-CG2 4.11Å; Y339-I343 WeakPolarHBondContact O-CG1 3.26Å; Y339-I343 PolarHBondContact O-N 3.26Å; Y339-N357 WeakPolarHBondContact CE2-OD1 3.43Å; Y339-N357 PolarHBondContact OH-ND2 3.21Å; Y339-L370 HydrophobicContact CD1-CD2 4.32Å; Y339-L370 HydrophobicContact CD2-CD1 3.82Å; Y339-L370 HydrophobicContact CD2-CD2 4.13Å; Y339-L370 HydrophobicContact CE2-CD1 4.17Å; Y339-L370 HydrophobicContact CG-CD1 4.29Å; Y339-L370 HydrophobicContact CG-CD2 3.75Å; Y339-Y374 HydrophobicContact CD1-CD2 4.2Å; Y339-Y374 HydrophobicContact CD1-CE2 4.09Å; Y339-I378 HydrophobicContact CE1-CD1 4.43Å; Y339-I378 HydrophobicContact CE2-CD1 4.48Å; Y339-I378 WeakPolarHBondContact OH-CD1 3.44Å
340I82.1Confident79Confident13 Ų1325.7 Ų25.77%0.06715%0.154CC..Hα-helixtrans-63.4-28.7-179.756.5162.5000112.2A197 T198 E337 S338 G344 Y374A197-I340 HydrophobicContact CB-CD1 4.16Å; T198-I340 HydrophobicContact CG2-CD1 3.61Å; E337-I340 VanDerWaalsContact O-CG1 3.28Å; E337-I340 WeakPolarHBondContact O-CG1 3.41Å; S338-I340 PolarHBondContact O-N 3.14Å; I340-G344 WeakPolarHBondContact O-CA 3.47Å; I340-G344 PolarHBondContact O-N 2.93Å; I340-Y374 HydrophobicContact CB-CE1 4.43Å; I340-Y374 HydrophobicContact CD1-CE1 4.3Å; I340-Y374 HydrophobicContact CG1-CE1 4.32Å; I340-Y374 HydrophobicContact CG2-CD1 3.8Å; I340-Y374 HydrophobicContact CG2-CD2 4.36Å; I340-Y374 HydrophobicContact CG2-CE1 3.34Å; I340-Y374 HydrophobicContact CG2-CE2 3.97Å; I340-Y374 HydrophobicContact CG2-CG 4.28Å; I340-Y374 VanDerWaalsContact CG2-CZ 3.43Å
341H79.3Confident77.6Confident1 Ų131.6 Ų31.61%0.00518%0.176CC..Hα-helixtrans-71.3-48.2178.1-66.2-67.9000110.7D168 A197 S316 R317 E337 S338 Y339 G344D168-H341 IonicContact OD2-CE1 2.78Å; D168-H341 IonicContact OD2-NE2 4Å; D168-H341 PolarHBondContact OD2-NE2 2.95Å; A197-H341 VanDerWaalsContact CB-CE1 3.47Å; A197-H341 WeakPolarHBondContact CB-CE1 3.5Å; S316-H341 CarbonylContact O-C 3.59Å; R317-H341 HydrophobicContact CG-CB 3.62Å; R317-H341 PolarHBondContact NE-CD2 3.32Å; R317-H341 PolarHBondContact NH1-CE1 3.23Å; R317-H341 PolarHBondContact NH1-NE2 3.23Å; R317-H341 PolarHBondContact NH2-CD2 2.83Å; R317-H341 PolarHBondContact NH2-NE2 2.92Å; E337-H341 PolarHBondContact O-CD2 2.8Å; S338-H341 WeakPolarHBondContact O-CB 3.41Å; S338-H341 PolarHBondContact O-N 2.99Å; Y339-H341 PolarHBondContact O-N 3.5Å; H341-G344 PolarHBondContact O-N 3.3Å
342R86.7Confident76.6Confident0 Ų038.8 Ų38.80%021%0.206CC..Hα-helixtrans-55.5-56.3174.7-70.5-171.4-175.5-171.11.2111.4F261 N263 D313 N329 D331 S338 Y339 G344F261-R342 HydrophobicContact CB-CG 4.43Å; F261-R342 HydrophobicContact CD1-CG 4.23Å; F261-R342 HydrophobicContact CD2-CB 3.7Å; F261-R342 HydrophobicContact CD2-CG 3.73Å; F261-R342 HydrophobicContact CE1-CG 4.45Å; F261-R342 HydrophobicContact CE2-CB 3.73Å; F261-R342 HydrophobicContact CE2-CG 3.96Å; F261-R342 HydrophobicContact CG-CB 4.36Å; F261-R342 HydrophobicContact CG-CG 3.87Å; F261-R342 HydrophobicContact CZ-CB 4.42Å; F261-R342 HydrophobicContact CZ-CG 4.32Å; N263-R342 PolarHBondContact OD1-NH2 2.92Å; D313-R342 VanDerWaalsContact CG-NH2 3.26Å; D313-R342 IonicContact OD1-CZ 2.78Å; D313-R342 VanDerWaalsContact OD1-CZ 3.31Å; D313-R342 IonicContact OD1-NE 3.31Å; D313-R342 PolarHBondContact OD1-NE 3.25Å; D313-R342 IonicContact OD1-NH2 3.87Å; D313-R342 PolarHBondContact OD1-NH2 3.48Å; D313-R342 VanDerWaalsContact OD1-NH2 3.16Å; D313-R342 IonicContact OD2-CZ 2.73Å; D313-R342 IonicContact OD2-NE 2.9Å; D313-R342 IonicContact OD2-NH2 3.03Å; D313-R342 PolarHBondContact OD2-NH2 3Å; N329-R342 WeakPolarHBondContact OD1-CD 3.39Å; D331-R342 PolarHBondContact O-NH1 3.02Å; S338-R342 WeakPolarHBondContact O-CG 3.11Å; S338-R342 PolarHBondContact O-N 3.28Å; Y339-R342 PolarHBondContact O-N 3.11Å; R342-G344 VanDerWaalsContact C-N 3.31Å; R342-G344 PolarHBondContact O-N 3.02Å
343I85Confident76Confident3 Ų338.7 Ų38.72%0.01521%0.206CC..Hα-helixtrans-72.5-28-174.170.6167.7000112I229 Q231 Y339 R345 G346 A355I229-I343 HydrophobicContact CD1-CG1 4.47Å; I229-I343 WeakPolarHBondContact CD1-O 3.06Å; I229-I343 HydrophobicContact CG2-CD1 4.46Å; Q231-I343 HydrophobicContact CG-CD1 4.06Å; Y339-I343 HydrophobicContact CD1-CD1 4.13Å; Y339-I343 HydrophobicContact CD2-CG2 4.48Å; Y339-I343 HydrophobicContact CE1-CD1 3.59Å; Y339-I343 HydrophobicContact CE1-CG1 4.39Å; Y339-I343 HydrophobicContact CE1-CG2 4.36Å; Y339-I343 HydrophobicContact CE2-CG2 4.11Å; Y339-I343 WeakPolarHBondContact O-CG1 3.26Å; Y339-I343 PolarHBondContact O-N 3.26Å; I343-R345 PolarHBondContact O-N 2.91Å; I343-G346 PolarHBondContact O-N 3.14Å; I343-A355 HydrophobicContact CB-CB 3.83Å; I343-A355 HydrophobicContact CG2-CB 3.49Å; I343-A355 VanDerWaalsContact CG2-CB 3.49Å
344G74.3Confident75.9Confident0 Ų038.9 Ų38.90%021%0.207CC..THydrogen-bonded Turntrans-65.62.9-173.100000117.1I340 H341 R342I340-G344 WeakPolarHBondContact O-CA 3.47Å; I340-G344 PolarHBondContact O-N 2.93Å; H341-G344 PolarHBondContact O-N 3.3Å; R342-G344 VanDerWaalsContact C-N 3.31Å; R342-G344 PolarHBondContact O-N 3.02Å
345R66.4Low76.1Confident4 Ų433.5 Ų33.52%0.01517%0.174CC..THydrogen-bonded Turntrans-75-32.5168.7-53.9-60.1127.2178.6-2.4112.6S316 R317 G318 I319 I324 V327 I343 G347S316-R345 VanDerWaalsContact O-CZ 3.23Å; S316-R345 PolarHBondContact O-NE 3.03Å; S316-R345 PolarHBondContact O-NH2 3.11Å; R317-R345 VanDerWaalsContact CA-NH2 3.34Å; G318-R345 VanDerWaalsContact C-NH1 3.27Å; I319-R345 WeakPolarHBondContact O-CD 3.48Å; I319-R345 PolarHBondContact O-NH1 3.38Å; I324-R345 HydrophobicContact CB-CB 4.34Å; I324-R345 HydrophobicContact CD1-CB 3.72Å; I324-R345 HydrophobicContact CD1-CG 4.23Å; I324-R345 HydrophobicContact CG2-CB 4.07Å; V327-R345 HydrophobicContact CG2-CB 4.18Å; I343-R345 PolarHBondContact O-N 2.91Å; R345-G347 PolarHBondContact O-N 3.44Å
346G57.4Low76.5Confident1 Ų130.6 Ų30.61%0.0116%0.159CC..THydrogen-bonded Turntrans-77-14.1-17300000116.5I324 I343 K352 G353I324-G346 WeakPolarHBondContact O-CA 3.47Å; I343-G346 PolarHBondContact O-N 3.14Å; G346-K352 CarbonylContact O-C 3.52Å; G346-G353 WeakPolarHBondContact O-CA 3.36Å; G346-G353 PolarHBondContact O-N 3.41Å; G346-G353 VanDerWaalsContact O-N 3.16Å
347G55.5Low77Confident12 Ų1228.6 Ų28.612%0.12415%0.148CC..THydrogen-bonded Turntrans-116.517.7-167.300000115.9R345 F349 R351R345-G347 PolarHBondContact O-N 3.44Å; G347-F349 PolarHBondContact O-N 3.1Å; G347-R351 CarbonylContact C-O 3.2Å; G347-R351 WeakPolarHBondContact CA-O 3.3Å
348R61.4Low77.9Confident18 Ų1826.7 Ų26.77%0.06814%0.139CC..G310 helixtrans-66.4136.1-167.6-67.7-178.5166.4-130.3-3.2112.2I319 D320 G350 R351I319-R348 PolarHBondContact O-NH2 2.91Å; D320-R348 IonicContact OD1-CZ 3.38Å; D320-R348 IonicContact OD1-NE 3.69Å; D320-R348 IonicContact OD1-NH1 3.25Å; D320-R348 PolarHBondContact OD1-NH1 3.29Å; D320-R348 IonicContact OD2-NH1 3.69Å; R348-G350 PolarHBondContact O-N 3.03Å; R348-R351 WeakPolarHBondContact O-CB 3.34Å; R348-R351 WeakPolarHBondContact O-CG 3.39Å; R348-R351 PolarHBondContact O-N 2.94Å; R348-R351 VanDerWaalsContact O-N 3.11Å
349F58.9Low78.4Confident126 Ų12626.2 Ų26.255%0.55314%0.136SC*.G310 helixtrans52.535.5-179.9-63.2-79.6000114.7G347 R351G347-F349 PolarHBondContact O-N 3.1Å; F349-R351 VanDerWaalsContact C-N 3.3Å; F349-R351 PolarHBondContact O-N 3.12Å
350G60.7Low78.8Confident72 Ų7226.8 Ų26.874%0.74214%0.139SC*.G310 helixtrans80.37.7178.400000114.5R348R348-G350 PolarHBondContact O-N 3.03Å
351R67.9Low79.4Confident124 Ų12431.1 Ų31.147%0.46816%0.162SC..  trans-64.2147.6168.1-68.5-176.6-179.3177.92.5109.9Q322 G347 R348 F349Q322-R351 PolarHBondContact O-NH1 3.3Å; G347-R351 CarbonylContact C-O 3.2Å; G347-R351 WeakPolarHBondContact CA-O 3.3Å; R348-R351 WeakPolarHBondContact O-CB 3.34Å; R348-R351 WeakPolarHBondContact O-CG 3.39Å; R348-R351 PolarHBondContact O-N 2.94Å; R348-R351 VanDerWaalsContact O-N 3.11Å; F349-R351 VanDerWaalsContact C-N 3.3Å; F349-R351 PolarHBondContact O-N 3.12Å
352K75.7Confident80Confident167 Ų16735.3 Ų35.373%0.72620%0.197SC*.  trans-77.4131.4172.9-65.5-176.9-178.9179.20108.9G228 G346G228-K352 WeakPolarHBondContact O-CA 3.28Å; G346-K352 CarbonylContact O-C 3.52Å
353G82.8Confident80.4Confident1 Ų136.7 Ų36.71%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-122.1159.6173.400000111.5G228 I229 R230 G346G228-G353 PolarHBondContact O-N 3.35Å; I229-G353 WeakPolarHBondContact CA-O 3.4Å; R230-G353 PolarHBondContact N-O 2.62Å; G346-G353 WeakPolarHBondContact O-CA 3.36Å; G346-G353 PolarHBondContact O-N 3.41Å; G346-G353 VanDerWaalsContact O-N 3.16Å
354V88.3Confident80.7Confident4 Ų440.4 Ų40.42%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-123.5132.5171.5-176.20000108.5R230 F232 S325 L326 V327 I356 L388 F389R230-V354 CarbonylContact O-C 3.59Å; R230-V354 WeakPolarHBondContact O-CA 3.49Å; F232-V354 HydrophobicContact CD2-CG1 3.71Å; F232-V354 HydrophobicContact CE2-CG1 3.91Å; S325-V354 PolarHBondContact O-N 3.47Å; L326-V354 WeakPolarHBondContact CA-O 3.46Å; L326-V354 HydrophobicContact CD1-CB 4.13Å; L326-V354 HydrophobicContact CD1-CG1 4.1Å; V327-V354 PolarHBondContact N-O 3.47Å; V354-I356 HydrophobicContact CG1-CD1 4.27Å; V354-I356 HydrophobicContact CG1-CG1 3.89Å; V354-L388 WeakPolarHBondContact CG2-O 3.4Å; V354-F389 HydrophobicContact CB-CD1 4.33Å; V354-F389 HydrophobicContact CB-CE1 3.59Å; V354-F389 HydrophobicContact CB-CZ 4.04Å; V354-F389 HydrophobicContact CG1-CE1 4.08Å; V354-F389 HydrophobicContact CG1-CZ 3.99Å; V354-F389 HydrophobicContact CG2-CD1 3.89Å; V354-F389 HydrophobicContact CG2-CE1 3.61Å; V354-F389 HydrophobicContact CG2-CZ 4.14Å
355A91.1Very high81.6Confident0 Ų049.5 Ų49.50%026%0.256CS..EExtended strand (participates in β ladder)trans-115.8124.5169.500000108.9I229 R230 Q231 F232 V327 I343I229-A355 HydrophobicContact CG2-CB 3.89Å; R230-A355 PolarHBondContact O-N 2.94Å; Q231-A355 HydrophobicContact CG-CB 4.38Å; F232-A355 PolarHBondContact N-O 3.23Å; V327-A355 CarbonylContact O-C 3.57Å; V327-A355 VanDerWaalsContact O-CA 3.28Å; V327-A355 WeakPolarHBondContact O-CA 3.3Å; I343-A355 HydrophobicContact CB-CB 3.83Å; I343-A355 HydrophobicContact CG2-CB 3.49Å; I343-A355 VanDerWaalsContact CG2-CB 3.49Å
356I94.4Very high82.9Confident0 Ų051.2 Ų51.20%027%0.265CS..EExtended strand (participates in β ladder)trans-115.5127.5177.8-58179.6000108.6F232 V234 L249 L326 V327 I328 N329 V354 F358 L381 F389F232-I356 HydrophobicContact CB-CG1 4.43Å; F232-I356 WeakPolarHBondContact O-CA 3.23Å; V234-I356 HydrophobicContact CG2-CG2 3.91Å; L249-I356 HydrophobicContact CD1-CD1 3.96Å; L249-I356 HydrophobicContact CD2-CD1 3.78Å; L326-I356 HydrophobicContact CD1-CD1 3.86Å; L326-I356 HydrophobicContact CD1-CG1 3.92Å; V327-I356 PolarHBondContact O-N 3.06Å; I328-I356 CarbonylContact C-O 3.56Å; I328-I356 WeakPolarHBondContact CA-O 3.33Å; N329-I356 PolarHBondContact N-O 3.22Å; V354-I356 HydrophobicContact CG1-CD1 4.27Å; V354-I356 HydrophobicContact CG1-CG1 3.89Å; I356-F358 HydrophobicContact CG2-CD1 4.21Å; I356-F358 HydrophobicContact CG2-CE1 3.96Å; I356-L381 HydrophobicContact CD1-CD1 3.94Å; I356-L381 HydrophobicContact CD1-CD2 4.33Å; I356-L381 HydrophobicContact CG1-CD1 4.25Å; I356-F389 HydrophobicContact CD1-CZ 4.49Å
357N96.4Very high84.6Confident0 Ų051.8 Ų51.80%027%0.268CS..EExtended strand (participates in β ladder)trans-110121.3-177.8-58.7-74.7000109.8F232 Y233 V234 N329 L332 Y339 V359F232-N357 PolarHBondContact O-N 2.98Å; F232-N357 PolarHBondContact O-ND2 3.13Å; Y233-N357 CarbonylContact C-O 3.55Å; Y233-N357 WeakPolarHBondContact CA-O 3.41Å; V234-N357 PolarHBondContact N-O 2.66Å; N329-N357 WeakPolarHBondContact CB-OD1 3.47Å; N329-N357 PolarHBondContact ND2-OD1 2.95Å; L332-N357 HydrophobicContact CD2-CB 3.84Å; Y339-N357 WeakPolarHBondContact CE2-OD1 3.43Å; Y339-N357 PolarHBondContact OH-ND2 3.21Å; N357-V359 HydrophobicContact CB-CG2 4.25Å
358F97.7Very high86.4Confident0 Ų057.1 Ų57.10%029%0.288CS..EExtended strand (participates in β ladder)trans-84.7125.2170.2-69.5-5.8000109.5V234 V236 K242 T245 L246 I328 N329 F330 I356V234-F358 HydrophobicContact CB-CD1 4Å; V234-F358 HydrophobicContact CB-CE1 4.22Å; V234-F358 HydrophobicContact CG2-CD1 4.31Å; V234-F358 HydrophobicContact CG2-CE1 4.15Å; V236-F358 HydrophobicContact CG1-CB 4.38Å; V236-F358 HydrophobicContact CG1-CG 4.33Å; K242-F358 HydrophobicContact CB-CD2 3.94Å; K242-F358 HydrophobicContact CB-CE2 4.5Å; K242-F358 HydrophobicContact CD-CB 4.24Å; K242-F358 HydrophobicContact CD-CD2 4.47Å; K242-F358 HydrophobicContact CG-CB 4.14Å; K242-F358 HydrophobicContact CG-CD2 4.03Å; K242-F358 VanDerWaalsContact O-CE2 3.3Å; K242-F358 WeakPolarHBondContact O-CE2 3.38Å; T245-F358 HydrophobicContact CG2-CE1 3.85Å; T245-F358 HydrophobicContact CG2-CE2 4.35Å; T245-F358 HydrophobicContact CG2-CZ 3.75Å; L246-F358 HydrophobicContact CB-CE2 3.91Å; L246-F358 HydrophobicContact CB-CZ 4.24Å; L246-F358 HydrophobicContact CD1-CE2 4.06Å; L246-F358 HydrophobicContact CD1-CZ 4.07Å; I328-F358 HydrophobicContact CG2-CE1 4.49Å; I328-F358 HydrophobicContact CG2-CE2 4.42Å; I328-F358 HydrophobicContact CG2-CZ 4.32Å; N329-F358 PolarHBondContact O-N 2.81Å; F330-F358 HydrophobicContact CD2-CD2 4.07Å; F330-F358 HydrophobicContact CD2-CE2 4.18Å; F330-F358 HydrophobicContact CE2-CD2 4.39Å; F330-F358 HydrophobicContact CE2-CE2 4.38Å; I356-F358 HydrophobicContact CG2-CD1 4.21Å; I356-F358 HydrophobicContact CG2-CE1 3.96Å
359V96.9Very high87.9Confident3 Ų359.3 Ų59.32%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-126117.9-169.8-179.30000108.5V234 N235 V236 L332 N357 D363 Q364 L367V234-V359 PolarHBondContact O-N 3.02Å; N235-V359 WeakPolarHBondContact CA-O 3.38Å; N235-V359 PolarHBondContact OD1-O 2.67Å; V236-V359 WeakPolarHBondContact CG2-O 3.38Å; V236-V359 PolarHBondContact N-O 3.39Å; L332-V359 HydrophobicContact CD1-CG2 4.28Å; L332-V359 HydrophobicContact CG-CG2 4.49Å; N357-V359 HydrophobicContact CB-CG2 4.25Å; V359-D363 HydrophobicContact CB-CB 4.42Å; V359-D363 HydrophobicContact CG1-CB 3.72Å; V359-Q364 HydrophobicContact CG1-CG 4.41Å; V359-L367 HydrophobicContact CG1-CD2 4.44Å; V359-L367 HydrophobicContact CG2-CD1 4.18Å; V359-L367 HydrophobicContact CG2-CD2 4.17Å
360T96.3Very high89.4Confident13 Ų1353.3 Ų53.38%0.0828%0.275CS..EExtended strand (participates in β ladder)trans-84.3173.5169.368.90000110.8V236 A362 D363 Q364V236-T360 HydrophobicContact CG2-CG2 3.99Å; T360-A362 PolarHBondContact O-N 3.01Å; T360-A362 PolarHBondContact OG1-N 3.19Å; T360-D363 WeakPolarHBondContact CB-OD2 3.48Å; T360-D363 WeakPolarHBondContact CG2-OD2 3.38Å; T360-D363 PolarHBondContact N-OD2 3.04Å; T360-D363 WeakPolarHBondContact O-CB 3.34Å; T360-D363 PolarHBondContact O-N 3.47Å; T360-D363 PolarHBondContact OG1-N 3.45Å; T360-D363 PolarHBondContact OG1-OD2 3.38Å; T360-Q364 PolarHBondContact O-N 3.23Å
361L93.6Very high90.8Very high105 Ų10552.2 Ų52.255%0.5525%0.25SS..THydrogen-bonded Turntrans-56.6-34.5172.8-69.5174.8000112.8E237 D363E237-L361 HydrophobicContact CB-CG 4.38Å; E237-L361 PolarHBondContact O-N 3.25Å; L361-D363 VanDerWaalsContact C-N 3.31Å
362A93.1Very high91.9Very high88 Ų8852 Ų5273%0.72726%0.258SS*.THydrogen-bonded Turntrans-72.1-27178.300000112.7T360T360-A362 PolarHBondContact O-N 3.01Å; T360-A362 PolarHBondContact OG1-N 3.19Å
363D94.4Very high92.4Very high30 Ų3048.3 Ų48.316%0.1624%0.242CC..THydrogen-bonded Turntrans-83.1-13.8-175.1-66.6-41.1000113.3L332 V359 T360 L361 R365 L366 L367L332-D363 HydrophobicContact CD1-CB 3.84Å; V359-D363 HydrophobicContact CB-CB 4.42Å; V359-D363 HydrophobicContact CG1-CB 3.72Å; T360-D363 WeakPolarHBondContact CB-OD2 3.48Å; T360-D363 WeakPolarHBondContact CG2-OD2 3.38Å; T360-D363 PolarHBondContact N-OD2 3.04Å; T360-D363 WeakPolarHBondContact O-CB 3.34Å; T360-D363 PolarHBondContact O-N 3.47Å; T360-D363 PolarHBondContact OG1-N 3.45Å; T360-D363 PolarHBondContact OG1-OD2 3.38Å; L361-D363 VanDerWaalsContact C-N 3.31Å; D363-R365 PolarHBondContact O-N 3.12Å; D363-R365 VanDerWaalsContact O-N 3.14Å; D363-L366 WeakPolarHBondContact O-CB 3.29Å; D363-L366 PolarHBondContact O-N 3.04Å; D363-L367 PolarHBondContact O-N 3.39Å
364Q91.9Very high92.4Very high81 Ų8148.5 Ų48.538%0.37924%0.243SC..Hα-helixtrans-56.1-35.9-175.2-68.6-173-2.800113.5V359 T360 K368V359-Q364 HydrophobicContact CG1-CG 4.41Å; T360-Q364 PolarHBondContact O-N 3.23Å; Q364-K368 WeakPolarHBondContact O-CG 3.46Å; Q364-K368 PolarHBondContact O-N 2.94Å
365R92.6Very high92.3Very high191 Ų19152.6 Ų52.672%0.72127%0.271SS*.Hα-helixtrans-68.7-45.1176.3-177.8177.8174.9173.60.4111.1D363 L367 K368 D369D363-R365 PolarHBondContact O-N 3.12Å; D363-R365 VanDerWaalsContact O-N 3.14Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.23Å; R365-K368 PolarHBondContact O-N 2.98Å; R365-D369 IonicContact NE-OD2 3.39Å; R365-D369 VanDerWaalsContact O-CG 3.24Å; R365-D369 PolarHBondContact O-N 3.34Å
366L93.1Very high92Very high40 Ų4053.6 Ų53.621%0.20928%0.278CS..Hα-helixtrans-63.7-38.5179.9-17959.1000111.7L332 L336 D363 D369 L370L332-L366 HydrophobicContact CB-CD2 3.74Å; L332-L366 HydrophobicContact CB-CG 4.39Å; L332-L366 HydrophobicContact CD1-CB 4.21Å; L332-L366 HydrophobicContact CD1-CD2 4.17Å; L332-L366 HydrophobicContact CD1-CG 4.1Å; L336-L366 HydrophobicContact CD2-CD1 3.99Å; D363-L366 WeakPolarHBondContact O-CB 3.29Å; D363-L366 PolarHBondContact O-N 3.04Å; L366-D369 PolarHBondContact O-N 3.03Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-L370 PolarHBondContact O-N 2.62Å
367L93.8Very high91.7Very high13 Ų1361.8 Ų61.87%0.06831%0.313CS..Hα-helixtrans-60.1-46.3173.3-173.673.4000111.8Y233 L332 V359 D363 R365 D369 L370 E371 I378Y233-L367 HydrophobicContact CD1-CD2 3.91Å; Y233-L367 HydrophobicContact CD2-CD2 4.46Å; Y233-L367 HydrophobicContact CE1-CD2 4.39Å; Y233-L367 HydrophobicContact CG-CD2 3.94Å; L332-L367 HydrophobicContact CD1-CB 4.14Å; L332-L367 HydrophobicContact CD2-CD1 4.49Å; V359-L367 HydrophobicContact CG1-CD2 4.44Å; V359-L367 HydrophobicContact CG2-CD1 4.18Å; V359-L367 HydrophobicContact CG2-CD2 4.17Å; D363-L367 PolarHBondContact O-N 3.39Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.23Å; L367-D369 VanDerWaalsContact C-N 3.33Å; L367-D369 PolarHBondContact O-N 2.72Å; L367-L370 WeakPolarHBondContact O-CB 3.14Å; L367-L370 PolarHBondContact O-N 2.66Å; L367-E371 PolarHBondContact O-N 2.96Å; L367-I378 HydrophobicContact CD1-CB 4.32Å; L367-I378 HydrophobicContact CD1-CD1 3.6Å; L367-I378 HydrophobicContact CD1-CG2 4.14Å; L367-I378 HydrophobicContact CG-CD1 4.49Å
368K93.1Very high91.5Very high123 Ų12362 Ų6254%0.53531%0.314SS..Hα-helixtrans-64.2-39.3176.7-72.4176.7-179.4177.50112Q364 R365 L370 E371 N372Q364-K368 WeakPolarHBondContact O-CG 3.46Å; Q364-K368 PolarHBondContact O-N 2.94Å; R365-K368 PolarHBondContact O-N 2.98Å; K368-L370 VanDerWaalsContact C-N 3.3Å; K368-L370 PolarHBondContact O-N 2.68Å; K368-E371 PolarHBondContact O-N 3.28Å; K368-N372 WeakPolarHBondContact O-CB 3.26Å; K368-N372 PolarHBondContact O-N 2.74Å; K368-N372 PolarHBondContact O-ND2 3.47Å; K368-N372 VanDerWaalsContact O-ND2 3.07Å
369D92.4Very high91.2Very high65 Ų6566.4 Ų66.435%0.34834%0.337SS..Hα-helixtrans-62.8-38.9176-67.7-20.1000110.6L336 R365 L366 L367 F373L336-D369 HydrophobicContact CD2-CB 4.15Å; R365-D369 IonicContact NE-OD2 3.39Å; R365-D369 VanDerWaalsContact O-CG 3.24Å; R365-D369 PolarHBondContact O-N 3.34Å; L366-D369 PolarHBondContact O-N 3.03Å; L367-D369 VanDerWaalsContact C-N 3.33Å; L367-D369 PolarHBondContact O-N 2.72Å; D369-F373 WeakPolarHBondContact O-CB 3.35Å; D369-F373 PolarHBondContact O-N 3.36Å
370L90.2Very high91.1Very high0 Ų072.1 Ų72.10%036%0.363CS..Hα-helixtrans-63.8-48.6173-74.8168.5000112.9L332 P333 L336 Y339 L366 L367 K368 N372 F373 Y374L332-L370 HydrophobicContact CD2-CD1 4.14Å; P333-L370 HydrophobicContact CG-CD1 4.49Å; L336-L370 HydrophobicContact CB-CD2 4.15Å; L336-L370 HydrophobicContact CD2-CB 4.47Å; L336-L370 HydrophobicContact CD2-CD2 3.5Å; L336-L370 HydrophobicContact CD2-CG 3.69Å; L336-L370 HydrophobicContact CG-CD2 4.44Å; Y339-L370 HydrophobicContact CD1-CD2 4.32Å; Y339-L370 HydrophobicContact CD2-CD1 3.82Å; Y339-L370 HydrophobicContact CD2-CD2 4.13Å; Y339-L370 HydrophobicContact CE2-CD1 4.17Å; Y339-L370 HydrophobicContact CG-CD1 4.29Å; Y339-L370 HydrophobicContact CG-CD2 3.75Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-L370 PolarHBondContact O-N 2.62Å; L367-L370 WeakPolarHBondContact O-CB 3.14Å; L367-L370 PolarHBondContact O-N 2.66Å; K368-L370 VanDerWaalsContact C-N 3.3Å; K368-L370 PolarHBondContact O-N 2.68Å; L370-N372 VanDerWaalsContact C-N 3.34Å; L370-N372 PolarHBondContact O-N 3.03Å; L370-F373 PolarHBondContact O-N 3.33Å; L370-Y374 HydrophobicContact CD2-CE2 4.14Å; L370-Y374 WeakPolarHBondContact O-CD2 3.44Å; L370-Y374 PolarHBondContact O-N 3.34Å; L370-Y374 VanDerWaalsContact O-N 3.14Å
371E90.6Very high90.9Very high49 Ų4973 Ų7323%0.22937%0.368CS..Hα-helixtrans-57.8-46.9177.5-73.9-170.2122.300111.5L367 K368 S375 T376 I378L367-E371 PolarHBondContact O-N 2.96Å; K368-E371 PolarHBondContact O-N 3.28Å; E371-S375 CarbonylContact O-C 3.41Å; E371-S375 VanDerWaalsContact O-CA 3.25Å; E371-S375 WeakPolarHBondContact O-CA 3.43Å; E371-S375 PolarHBondContact O-N 3.45Å; E371-T376 PolarHBondContact O-N 3.44Å; E371-I378 HydrophobicContact CG-CB 4.2Å; E371-I378 HydrophobicContact CG-CD1 3.94Å; E371-I378 HydrophobicContact CG-CG1 3.9Å; E371-I378 PolarHBondContact OE1-N 2.96Å
372N90.7Very high90.6Very high120 Ų12070.6 Ų70.664%0.64236%0.358SS*.Hα-helixtrans-66-43.9179.4-70.6-32000112K368 L370 Y374 S375K368-N372 WeakPolarHBondContact O-CB 3.26Å; K368-N372 PolarHBondContact O-N 2.74Å; K368-N372 PolarHBondContact O-ND2 3.47Å; K368-N372 VanDerWaalsContact O-ND2 3.07Å; L370-N372 VanDerWaalsContact C-N 3.34Å; L370-N372 PolarHBondContact O-N 3.03Å; N372-Y374 VanDerWaalsContact C-N 3.35Å; N372-Y374 PolarHBondContact O-N 3.21Å; N372-S375 PolarHBondContact O-N 3.03Å
373F86.4Confident89.9Confident89 Ų8975.7 Ų75.739%0.3937%0.369SS..Hα-helixtrans-63.4-40.2-177.1-176.9-93.7000112.4L336 D369 L370L336-F373 HydrophobicContact CB-CD1 4.18Å; L336-F373 HydrophobicContact CB-CE1 4.42Å; L336-F373 HydrophobicContact CB-CG 4.26Å; L336-F373 HydrophobicContact CD1-CB 3.98Å; L336-F373 HydrophobicContact CD1-CD2 3.79Å; L336-F373 HydrophobicContact CD1-CE2 4.44Å; L336-F373 HydrophobicContact CD1-CG 3.89Å; D369-F373 WeakPolarHBondContact O-CB 3.35Å; D369-F373 PolarHBondContact O-N 3.36Å; L370-F373 PolarHBondContact O-N 3.33Å
374Y83.9Confident89Confident4 Ų478.5 Ų78.52%0.01639%0.385CS..Hα-helixtrans-96.2-1.6179.3-68.1-66.5000114.2L224 T225 L336 E337 Y339 I340 L370 N372 T376L224-Y374 HydrophobicContact CB-CD1 4.48Å; T225-Y374 VanDerWaalsContact CG2-O 3.24Å; T225-Y374 WeakPolarHBondContact CG2-O 3.45Å; L336-Y374 VanDerWaalsContact O-CE2 3.25Å; L336-Y374 WeakPolarHBondContact O-CE2 3.2Å; L336-Y374 PolarHBondContact O-OH 3.23Å; E337-Y374 WeakPolarHBondContact CA-OH 3.2Å; E337-Y374 PolarHBondContact O-OH 2.62Å; Y339-Y374 HydrophobicContact CD1-CD2 4.2Å; Y339-Y374 HydrophobicContact CD1-CE2 4.09Å; I340-Y374 HydrophobicContact CB-CE1 4.43Å; I340-Y374 HydrophobicContact CD1-CE1 4.3Å; I340-Y374 HydrophobicContact CG1-CE1 4.32Å; I340-Y374 HydrophobicContact CG2-CD1 3.8Å; I340-Y374 HydrophobicContact CG2-CD2 4.36Å; I340-Y374 HydrophobicContact CG2-CE1 3.34Å; I340-Y374 HydrophobicContact CG2-CE2 3.97Å; I340-Y374 HydrophobicContact CG2-CG 4.28Å; I340-Y374 VanDerWaalsContact CG2-CZ 3.43Å; L370-Y374 HydrophobicContact CD2-CE2 4.14Å; L370-Y374 WeakPolarHBondContact O-CD2 3.44Å; L370-Y374 PolarHBondContact O-N 3.34Å; L370-Y374 VanDerWaalsContact O-N 3.14Å; N372-Y374 VanDerWaalsContact C-N 3.35Å; N372-Y374 PolarHBondContact O-N 3.21Å; Y374-T376 PolarHBondContact O-N 2.91Å
375S85.4Confident88.3Confident90 Ų9075.3 Ų75.363%0.62937%0.37SS*.THydrogen-bonded Turntrans51.138.9-172.2-59.20000112.7E371 N372E371-S375 CarbonylContact O-C 3.41Å; E371-S375 VanDerWaalsContact O-CA 3.25Å; E371-S375 WeakPolarHBondContact O-CA 3.43Å; E371-S375 PolarHBondContact O-N 3.45Å; N372-S375 PolarHBondContact O-N 3.03Å
376T85.3Confident87.2Confident21 Ų2169.1 Ų69.113%0.12936%0.36CS..  trans-107.6166-178.6-169.70000111.1Q231 E371 Y374 I378Q231-T376 PolarHBondContact NE2-OG1 3.17Å; Q231-T376 VanDerWaalsContact NE2-OG1 3.13Å; Q231-T376 PolarHBondContact OE1-OG1 3.02Å; E371-T376 PolarHBondContact O-N 3.44Å; Y374-T376 PolarHBondContact O-N 2.91Å; T376-I378 HydrophobicContact CG2-CG1 4.25Å
377K86.9Confident86.1Confident172 Ų17273 Ų7375%0.74838%0.381SS*.  trans-113.5124.4169.2-69.2-174.7177.3-178.60109.7
378I92.3Very high84.9Confident4 Ų472.9 Ų72.92%0.02138%0.38CS..  trans-106.8102.4171.6-53.4171.9000105.9Q231 F232 Y233 Y339 L367 E371 T376Q231-I378 HydrophobicContact CB-CB 4.49Å; Q231-I378 HydrophobicContact CB-CG1 4.12Å; Q231-I378 HydrophobicContact CB-CG2 4.3Å; F232-I378 VanDerWaalsContact C-CG2 3.48Å; Y233-I378 HydrophobicContact CD1-CG2 4.13Å; Y233-I378 VanDerWaalsContact CD1-O 3.29Å; Y233-I378 WeakPolarHBondContact CD1-O 3.32Å; Y233-I378 WeakPolarHBondContact CE1-O 2.86Å; Y339-I378 HydrophobicContact CE1-CD1 4.43Å; Y339-I378 HydrophobicContact CE2-CD1 4.48Å; Y339-I378 WeakPolarHBondContact OH-CD1 3.44Å; L367-I378 HydrophobicContact CD1-CB 4.32Å; L367-I378 HydrophobicContact CD1-CD1 3.6Å; L367-I378 HydrophobicContact CD1-CG2 4.14Å; L367-I378 HydrophobicContact CG-CD1 4.49Å; E371-I378 HydrophobicContact CG-CB 4.2Å; E371-I378 HydrophobicContact CG-CD1 3.94Å; E371-I378 HydrophobicContact CG-CG1 3.9Å; E371-I378 PolarHBondContact OE1-N 2.96Å; T376-I378 HydrophobicContact CG2-CG1 4.25Å
379I93Very high83.4Confident94 Ų9471.5 Ų71.548%0.48238%0.375SS..EExtended strand (participates in β ladder)trans-85.1154.1-174.152.2169.6000111.2Q231 F232 Y233 L381Q231-I379 PolarHBondContact O-N 2.9Å; Q231-I379 VanDerWaalsContact O-N 3.12Å; F232-I379 CarbonylContact C-O 3.56Å; F232-I379 WeakPolarHBondContact CA-O 3.05Å; F232-I379 HydrophobicContact CD1-CD1 3.89Å; F232-I379 HydrophobicContact CD1-CG1 3.57Å; F232-I379 HydrophobicContact CE1-CD1 3.36Å; F232-I379 HydrophobicContact CE1-CG1 3.62Å; F232-I379 HydrophobicContact CG-CG1 4.49Å; F232-I379 HydrophobicContact CZ-CD1 4.17Å; Y233-I379 PolarHBondContact N-O 2.75Å; I379-L381 PolarHBondContact O-N 2.75Å
380E93.8Very high83Confident122 Ų12271.8 Ų71.857%0.5738%0.376SS*.EExtended strand (participates in β ladder)trans-61.8138.8173.2-166165.2-167.600110.3Y233 P382Y233-E380 HydrophobicContact CE1-CB 3.96Å; Y233-E380 HydrophobicContact CE2-CB 4.15Å; Y233-E380 HydrophobicContact CE2-CG 3.96Å; E380-P382 WeakPolarHBondContact O-CD 3.33Å
381L91.7Very high82.6Confident32 Ų3275.6 Ų75.617%0.16840%0.396CS..PPolyproline II helixtrans-61.9120.5180-170.873.3000109.4F232 Y233 V234 L249 I356 I379 V385 L388F232-L381 HydrophobicContact CB-CB 4.22Å; F232-L381 HydrophobicContact CB-CD1 3.7Å; F232-L381 HydrophobicContact CD1-CD1 4.03Å; F232-L381 HydrophobicContact CD2-CD1 4.1Å; F232-L381 HydrophobicContact CG-CD1 3.68Å; Y233-L381 PolarHBondContact O-N 2.74Å; V234-L381 HydrophobicContact CG2-CB 3.77Å; V234-L381 HydrophobicContact CG2-CD2 3.6Å; V234-L381 HydrophobicContact CG2-CG 4.31Å; L249-L381 HydrophobicContact CD1-CD2 4.19Å; I356-L381 HydrophobicContact CD1-CD1 3.94Å; I356-L381 HydrophobicContact CD1-CD2 4.33Å; I356-L381 HydrophobicContact CG1-CD1 4.25Å; I379-L381 PolarHBondContact O-N 2.75Å; L381-V385 HydrophobicContact CD1-CG1 4.46Å; L381-V385 HydrophobicContact CD2-CG1 4.37Å; L381-V385 HydrophobicContact CD2-CG2 3.92Å; L381-V385 HydrophobicContact CG-CG2 4.19Å; L381-L388 HydrophobicContact CD1-CD1 3.51Å; L381-L388 HydrophobicContact CG-CD1 4.5Å
382P87.4Confident82.2Confident54 Ų5477.1 Ų77.135%0.35141%0.405SS..PPolyproline II helixtrans-66.6149.8177.628.4-34.8000110.4F232 E380 D384 V385 L388F232-P382 HydrophobicContact CE1-CG 4.28Å; E380-P382 WeakPolarHBondContact O-CD 3.33Å; P382-D384 PolarHBondContact O-N 2.98Å; P382-V385 WeakPolarHBondContact O-CG2 3.25Å; P382-L388 HydrophobicContact CG-CD1 4.04Å; P382-L388 HydrophobicContact CG-CD2 4.2Å; P382-L388 HydrophobicContact CG-CG 4.45Å
383M78.9Confident81.7Confident195 Ų19574.5 Ų74.596%0.96139%0.391SS*.SBendtrans-59-29.8178.1-65.1-172.7-61.800113V385M383-V385 PolarHBondContact O-N 3.31Å
384D76.7Confident81.4Confident90 Ų9073.6 Ų73.648%0.48139%0.391SS..  trans-8881.4174.2-177.215.7000110.6P382 N387P382-D384 PolarHBondContact O-N 2.98Å; D384-N387 PolarHBondContact OD2-ND2 2.9Å
385V76.6Confident81.2Confident13 Ų1378.3 Ų78.38%0.07942%0.416CS..  trans-77.6-24.6-177.8-166.60000111.7L249 I253 L381 P382 M383 N387 L388 F389L249-V385 HydrophobicContact CD1-CG1 3.76Å; I253-V385 HydrophobicContact CG2-CB 4.1Å; I253-V385 HydrophobicContact CG2-CG1 3.44Å; I253-V385 VanDerWaalsContact CG2-CG1 3.44Å; L381-V385 HydrophobicContact CD1-CG1 4.46Å; L381-V385 HydrophobicContact CD2-CG1 4.37Å; L381-V385 HydrophobicContact CD2-CG2 3.92Å; L381-V385 HydrophobicContact CG-CG2 4.19Å; P382-V385 WeakPolarHBondContact O-CG2 3.25Å; M383-V385 PolarHBondContact O-N 3.31Å; V385-N387 VanDerWaalsContact C-N 3.25Å; V385-N387 PolarHBondContact O-N 3.42Å; V385-L388 HydrophobicContact CB-CD1 4.39Å; V385-L388 HydrophobicContact CG1-CD1 3.9Å; V385-L388 VanDerWaalsContact O-CB 3.25Å; V385-L388 WeakPolarHBondContact O-CB 3.35Å; V385-L388 PolarHBondContact O-N 3.46Å; V385-F389 HydrophobicContact CG1-CE2 4.1Å
386A69.4Low80.9Confident62 Ų6277.4 Ų77.451%0.51240%0.401SS..G310 helixtrans-61.8-32.1-172.500000113L388A386-L388 VanDerWaalsContact C-N 3.28Å; A386-L388 PolarHBondContact O-N 3.07Å
387N69Low80.6Confident121 Ų12181.8 Ų81.865%0.64742%0.422SS*.G310 helixtrans-83.94.5178.9-70.7-41.9000114D384 V385D384-N387 PolarHBondContact OD2-ND2 2.9Å; V385-N387 VanDerWaalsContact C-N 3.25Å; V385-N387 PolarHBondContact O-N 3.42Å
388L68.2Low80Confident10 Ų1074.3 Ų74.35%0.05240%0.395CS..G310 helixtrans-86.4-10.2-179.1-65.5177000114.3R230 F232 V354 L381 P382 V385 A386R230-L388 VanDerWaalsContact NH2-CA 3.33Å; R230-L388 PolarHBondContact NH2-O 3.07Å; F232-L388 HydrophobicContact CD2-CD1 4.49Å; F232-L388 HydrophobicContact CE1-CD1 4.45Å; F232-L388 HydrophobicContact CE1-CD2 4.13Å; F232-L388 HydrophobicContact CE2-CD1 4.07Å; F232-L388 HydrophobicContact CE2-CD2 3.87Å; F232-L388 HydrophobicContact CE2-CG 4.5Å; F232-L388 HydrophobicContact CZ-CD1 4.08Å; F232-L388 HydrophobicContact CZ-CD2 3.38Å; F232-L388 HydrophobicContact CZ-CG 4.36Å; V354-L388 WeakPolarHBondContact CG2-O 3.4Å; L381-L388 HydrophobicContact CD1-CD1 3.51Å; L381-L388 HydrophobicContact CG-CD1 4.5Å; P382-L388 HydrophobicContact CG-CD1 4.04Å; P382-L388 HydrophobicContact CG-CD2 4.2Å; P382-L388 HydrophobicContact CG-CG 4.45Å; V385-L388 HydrophobicContact CB-CD1 4.39Å; V385-L388 HydrophobicContact CG1-CD1 3.9Å; V385-L388 VanDerWaalsContact O-CB 3.25Å; V385-L388 WeakPolarHBondContact O-CB 3.35Å; V385-L388 PolarHBondContact O-N 3.46Å; A386-L388 VanDerWaalsContact C-N 3.28Å; A386-L388 PolarHBondContact O-N 3.07Å
389F63.5Low78.9Confident94 Ų9480.6 Ų80.641%0.41243%0.429SS..  trans-113.60-173.7-63.8-79.9000113I253 L326 V354 I356 V385I253-F389 HydrophobicContact CB-CD2 4.14Å; I253-F389 HydrophobicContact CB-CE2 3.98Å; I253-F389 HydrophobicContact CD1-CE2 3.88Å; I253-F389 HydrophobicContact CD1-CZ 3.88Å; I253-F389 HydrophobicContact CG2-CD2 3.95Å; I253-F389 HydrophobicContact CG2-CE2 3.59Å; L326-F389 HydrophobicContact CB-CE1 3.81Å; L326-F389 HydrophobicContact CB-CZ 4.49Å; L326-F389 HydrophobicContact CD1-CE1 3.81Å; L326-F389 HydrophobicContact CD1-CZ 3.83Å; L326-F389 HydrophobicContact CD2-CE1 4.08Å; L326-F389 HydrophobicContact CD2-CZ 3.96Å; L326-F389 HydrophobicContact CG-CE1 4.1Å; L326-F389 HydrophobicContact CG-CZ 4.31Å; V354-F389 HydrophobicContact CB-CD1 4.33Å; V354-F389 HydrophobicContact CB-CE1 3.59Å; V354-F389 HydrophobicContact CB-CZ 4.04Å; V354-F389 HydrophobicContact CG1-CE1 4.08Å; V354-F389 HydrophobicContact CG1-CZ 3.99Å; V354-F389 HydrophobicContact CG2-CD1 3.89Å; V354-F389 HydrophobicContact CG2-CE1 3.61Å; V354-F389 HydrophobicContact CG2-CZ 4.14Å; I356-F389 HydrophobicContact CD1-CZ 4.49Å; V385-F389 HydrophobicContact CG1-CE2 4.1Å

Retrieved 389 of 389 residues in 865.2 ms (Link to these results)

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