A0A3B3UCH8_9TELE Loading...

Katanin p80 WD40 repeat-containing subunit B1

Participates in a complex which severs microtubules in an ATP-dependent manner. May act to target the enzymatic subunit of this complex to sites of action such as the centrosome. Microtubule severing may promote rapid reorganization of cellular microtubule arrays and the release of microtubules from the centrosome following nucleation.

AlphaFold DB , UniProt , Accession A0A3B3UCH8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene KATNB1, Length 684 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
1M35.2Very low60.5Low243 Ų24383.9 Ų83.9100%1.19754%0.538SS*.  01340-69-178.7-86.900107.4
2A33.1Very low63.1Low100 Ų10086.6 Ų86.683%0.82653%0.529SS*.  trans-77132.5169.300000108.3A4A2-A4 PolarHBondContact O-N 3.25Å
3A35.3Very low65.1Low99 Ų9983.5 Ų83.582%0.81851%0.507SS*.  trans-67.9119.7171.500000108.3S5A3-S5 VanDerWaalsContact C-N 3.32Å; A3-S5 PolarHBondContact O-N 2.7Å
4A37.7Very low66.9Low100 Ų10079.1 Ų79.183%0.82648%0.479SS*.  trans-73.491.9170.500000107.8A2 S6A2-A4 PolarHBondContact O-N 3.25Å; A4-S6 PolarHBondContact O-N 2.71Å
5S45.8Very low68.6Low93 Ų9380.3 Ų80.365%0.6548%0.477SS*.  trans-57.7112.3172.455.10000108.6A3 T7A3-S5 VanDerWaalsContact C-N 3.32Å; A3-S5 PolarHBondContact O-N 2.7Å; S5-T7 PolarHBondContact O-N 3.21Å
6S60.7Low70.1Confident60 Ų6076.6 Ų76.642%0.4245%0.453SS..PPolyproline II helixtrans-66.9126.6170.953.80000108.4A4 E413A4-S6 PolarHBondContact O-N 2.71Å; S6-E413 VanDerWaalsContact CB-CD 3.5Å; S6-E413 WeakPolarHBondContact CB-OE2 3.41Å; S6-E413 WeakPolarHBondContact O-CB 3.45Å; S6-E413 WeakPolarHBondContact O-CG 3.32Å; S6-E413 PolarHBondContact O-N 3.28Å; S6-E413 PolarHBondContact OG-OE2 3.46Å
7T68.8Low71.4Confident37 Ų3779.9 Ų79.923%0.22746%0.462CS..BIsolated β-bridgetrans-102.5161.8174.854.30000108.6S5 R304 A410 P411S5-T7 PolarHBondContact O-N 3.21Å; T7-R304 PolarHBondContact O-NH1 3.14Å; T7-R304 PolarHBondContact O-NH2 3.36Å; T7-R304 VanDerWaalsContact O-NH2 3.07Å; T7-A410 HydrophobicContact CG2-CB 4.09Å; T7-P411 WeakPolarHBondContact CA-O 2.91Å
8K81.3Confident72.5Confident72 Ų7275.7 Ų75.731%0.31344%0.439SS..PPolyproline II helixtrans-72.8142.9-178.1-64.2171-172.8156.50111.2W11 R304 P411 P412 E413 D414K8-W11 WeakPolarHBondContact O-CZ3 3.39Å; K8-R304 VanDerWaalsContact C-NH1 3.27Å; K8-R304 PolarHBondContact O-NH1 2.76Å; K8-P411 HydrophobicContact CD-CG 4.22Å; K8-P411 PolarHBondContact N-O 3.31Å; K8-P411 VanDerWaalsContact N-O 3.17Å; K8-P412 WeakPolarHBondContact CE-O 3.43Å; K8-P412 PolarHBondContact NZ-O 2.97Å; K8-E413 HydrophobicContact CG-CG 3.76Å; K8-D414 IonicContact NZ-OD2 2.65Å; K8-D414 PolarHBondContact NZ-OD2 3.15Å
9I85.5Confident73.5Confident66 Ų6672.2 Ų72.234%0.33842%0.418SS..SBendtrans-68.7-44.9179.4-61.4173.7000110V268 V300 D301 R304 V305I9-V268 HydrophobicContact CG2-CG1 3.86Å; I9-V268 HydrophobicContact CG2-CG2 4.39Å; I9-V300 HydrophobicContact CG2-CG1 4.26Å; I9-V300 WeakPolarHBondContact O-CA 3.25Å; I9-D301 PolarHBondContact O-N 2.87Å; I9-R304 HydrophobicContact CG1-CB 4.48Å; I9-R304 VanDerWaalsContact CG1-CZ 3.49Å; I9-R304 VanDerWaalsContact N-NH1 3.15Å; I9-V305 HydrophobicContact CG2-CG2 4.13Å
10S90.1Very high74.3Confident30 Ų3073.4 Ų73.421%0.2143%0.431CS..EExtended strand (participates in β ladder)trans-124142.1177.751.20000109.2P269 V299S10-P269 PolarHBondContact OG-O 2.82Å; S10-V299 CarbonylContact C-O 3.49Å; S10-V299 VanDerWaalsContact CA-O 3.31Å; S10-V299 WeakPolarHBondContact CA-O 3.46Å
11W91.9Very high75.1Confident23 Ų2377 Ų779%0.08744%0.437CS..EExtended strand (participates in β ladder)trans-150.9154.1172.464.7102.2000111.7K8 L13 F298 V299 D301 F408 A410 P411K8-W11 WeakPolarHBondContact O-CZ3 3.39Å; W11-L13 PolarHBondContact O-N 2.95Å; W11-F298 CarbonylContact O-C 3.56Å; W11-F298 VanDerWaalsContact O-CA 3.31Å; W11-F298 WeakPolarHBondContact O-CA 3.27Å; W11-V299 HydrophobicContact CD2-CB 4.22Å; W11-V299 HydrophobicContact CH2-CB 4.17Å; W11-V299 HydrophobicContact CH2-CG1 3.51Å; W11-V299 HydrophobicContact CZ2-CB 3.75Å; W11-V299 HydrophobicContact CZ2-CG1 3.43Å; W11-V299 VanDerWaalsContact CZ2-CG1 3.43Å; W11-V299 HydrophobicContact CZ3-CG1 4.16Å; W11-V299 PolarHBondContact N-O 3.32Å; W11-V299 PolarHBondContact O-N 3.03Å; W11-D301 HydrophobicContact CZ3-CB 4.32Å; W11-F408 HydrophobicContact CZ2-CB 4.47Å; W11-A410 HydrophobicContact CE3-CB 4.23Å; W11-A410 HydrophobicContact CH2-CB 3.45Å; W11-A410 VanDerWaalsContact CH2-CB 3.45Å; W11-A410 HydrophobicContact CZ2-CB 3.91Å; W11-A410 HydrophobicContact CZ3-CB 3.63Å; W11-P411 HydrophobicContact CB-CG 3.98Å; W11-P411 HydrophobicContact CD2-CG 4.35Å; W11-P411 HydrophobicContact CG-CG 3.9Å
12R91.8Very high77.9Confident116 Ų11667.7 Ų67.744%0.43839%0.394SS..EExtended strand (participates in β ladder)trans-73121.1166.6-161.1-177.9-154.1-172.28.3107.6E15 S296 F298R12-E15 VanDerWaalsContact CZ-CD 3.45Å; R12-E15 IonicContact CZ-OE1 3.76Å; R12-E15 IonicContact CZ-OE2 2.69Å; R12-E15 IonicContact NH1-OE1 3.96Å; R12-E15 IonicContact NH1-OE2 2.68Å; R12-E15 PolarHBondContact NH1-OE2 3.08Å; R12-E15 IonicContact NH2-OE1 3.43Å; R12-E15 PolarHBondContact NH2-OE1 3.36Å; R12-E15 IonicContact NH2-OE2 2.67Å; R12-E15 PolarHBondContact NH2-OE2 3.02Å; R12-S296 PolarHBondContact NE-OG 3.19Å; R12-S296 PolarHBondContact NH2-OG 2.81Å; R12-F298 HydrophobicContact CB-CD1 3.92Å; R12-F298 HydrophobicContact CB-CE1 3.75Å; R12-F298 HydrophobicContact CB-CZ 4.45Å; R12-F298 HydrophobicContact CG-CD1 4.11Å; R12-F298 HydrophobicContact CG-CE1 3.73Å; R12-F298 HydrophobicContact CG-CE2 4.49Å; R12-F298 HydrophobicContact CG-CZ 3.93Å
13L89.4Confident80.9Confident47 Ų4763.3 Ų63.325%0.24636%0.357CS..EExtended strand (participates in β ladder)trans-82.2-40176.7175.867.4000110.6W11 V50 S297 V299 F408W11-L13 PolarHBondContact O-N 2.95Å; L13-V50 HydrophobicContact CD2-CG1 3.78Å; L13-S297 PolarHBondContact N-O 3.21Å; L13-V299 HydrophobicContact CB-CG2 3.93Å; L13-V299 HydrophobicContact CD2-CG2 3.87Å; L13-V299 HydrophobicContact CG-CG2 4.34Å; L13-F408 HydrophobicContact CD1-CB 4.21Å; L13-F408 HydrophobicContact CD1-CD1 4.17Å; L13-F408 HydrophobicContact CD1-CG 4.13Å; L13-F408 HydrophobicContact CD2-CD1 4.11Å; L13-F408 HydrophobicContact CD2-CD2 3.85Å; L13-F408 HydrophobicContact CD2-CE1 4.08Å; L13-F408 HydrophobicContact CD2-CE2 3.78Å; L13-F408 HydrophobicContact CD2-CG 4Å; L13-F408 HydrophobicContact CD2-CZ 3.9Å
14Q90.5Very high83.6Confident22 Ų2260.3 Ų60.310%0.10333%0.33CS..EExtended strand (participates in β ladder)trans-159.9149.3-170.9-158.3-175.7-19.700111.6F16 K52 A53 S296 S297Q14-F16 HydrophobicContact CG-CD1 4.06Å; Q14-F16 VanDerWaalsContact NE2-CD1 3.29Å; Q14-K52 VanDerWaalsContact NE2-C 3.26Å; Q14-K52 PolarHBondContact NE2-O 3.18Å; Q14-A53 VanDerWaalsContact NE2-CA 3.29Å; Q14-S296 WeakPolarHBondContact O-CA 3.43Å; Q14-S297 WeakPolarHBondContact CB-OG 3.46Å; Q14-S297 PolarHBondContact N-O 3.32Å; Q14-S297 PolarHBondContact O-N 2.9Å
15E92.1Very high86.3Confident97 Ų9756 Ų5645%0.45329%0.294SS..EExtended strand (participates in β ladder)trans-131.1142.7159172.4165.3-12800108.6R12 S294 V295R12-E15 VanDerWaalsContact CZ-CD 3.45Å; R12-E15 IonicContact CZ-OE1 3.76Å; R12-E15 IonicContact CZ-OE2 2.69Å; R12-E15 IonicContact NH1-OE1 3.96Å; R12-E15 IonicContact NH1-OE2 2.68Å; R12-E15 PolarHBondContact NH1-OE2 3.08Å; R12-E15 IonicContact NH2-OE1 3.43Å; R12-E15 PolarHBondContact NH2-OE1 3.36Å; R12-E15 IonicContact NH2-OE2 2.67Å; R12-E15 PolarHBondContact NH2-OE2 3.02Å; E15-S294 PolarHBondContact OE1-OG 2.71Å; E15-V295 WeakPolarHBondContact CA-O 3.43Å
16F92.6Very high88.6Confident21 Ų2152.2 Ų52.29%0.09227%0.266CS..EExtended strand (participates in β ladder)trans-154.9158.4172.758.6-84.4000110.2Q14 A18 L36 W48 S294 V295Q14-F16 HydrophobicContact CG-CD1 4.06Å; Q14-F16 VanDerWaalsContact NE2-CD1 3.29Å; F16-A18 HydrophobicContact CD2-CB 4.07Å; F16-A18 HydrophobicContact CE2-CB 3.69Å; F16-L36 HydrophobicContact CZ-CD2 4.05Å; F16-W48 HydrophobicContact CD2-CD2 4.29Å; F16-W48 AromaticContact CD2-CE3 3.86Å; F16-W48 HydrophobicContact CD2-CE3 3.86Å; F16-W48 AromaticContact CD2-CH2 3.79Å; F16-W48 HydrophobicContact CD2-CH2 3.79Å; F16-W48 HydrophobicContact CD2-CZ2 4.23Å; F16-W48 AromaticContact CD2-CZ3 3.57Å; F16-W48 HydrophobicContact CD2-CZ3 3.57Å; F16-W48 AromaticContact CE2-CD2 3.42Å; F16-W48 HydrophobicContact CE2-CD2 3.42Å; F16-W48 VanDerWaalsContact CE2-CD2 3.42Å; F16-W48 AromaticContact CE2-CE2 3.56Å; F16-W48 AromaticContact CE2-CE3 3.43Å; F16-W48 HydrophobicContact CE2-CE3 3.43Å; F16-W48 VanDerWaalsContact CE2-CE3 3.43Å; F16-W48 HydrophobicContact CE2-CG 4.09Å; F16-W48 AromaticContact CE2-CH2 3.75Å; F16-W48 HydrophobicContact CE2-CH2 3.75Å; F16-W48 AromaticContact CE2-CZ2 3.76Å; F16-W48 HydrophobicContact CE2-CZ2 3.76Å; F16-W48 AromaticContact CE2-CZ3 3.58Å; F16-W48 HydrophobicContact CE2-CZ3 3.58Å; F16-W48 AromaticContact CZ-CD2 3.84Å; F16-W48 HydrophobicContact CZ-CD2 3.84Å; F16-W48 AromaticContact CZ-CE3 3.98Å; F16-W48 HydrophobicContact CZ-CE3 3.98Å; F16-W48 HydrophobicContact CZ-CG 4.05Å; F16-S294 CarbonylContact O-C 3.53Å; F16-S294 WeakPolarHBondContact O-CA 3.44Å; F16-V295 HydrophobicContact CE1-CB 4.46Å; F16-V295 HydrophobicContact CE1-CG1 4.49Å; F16-V295 HydrophobicContact CE2-CB 4.24Å; F16-V295 HydrophobicContact CZ-CB 4.08Å; F16-V295 HydrophobicContact CZ-CG1 4.15Å; F16-V295 PolarHBondContact N-O 3Å; F16-V295 VanDerWaalsContact N-O 3.13Å; F16-V295 PolarHBondContact O-N 2.88Å
17E92.7Very high90.3Very high132 Ų13249.7 Ų49.762%0.61725%0.249SC*.EExtended strand (participates in β ladder)trans-82.3120.9169.4-176.2157.7-129.200109.3S293E17-S293 WeakPolarHBondContact OE1-CB 3.34Å; E17-S293 PolarHBondContact OE1-OG 3.46Å
18A90.6Very high91.5Very high5 Ų548 Ų484%0.04124%0.238CC..  trans-101.2-23.8-169.400000113.8F16 V23 T38 N46 W48 S293 V295F16-A18 HydrophobicContact CD2-CB 4.07Å; F16-A18 HydrophobicContact CE2-CB 3.69Å; A18-V23 HydrophobicContact CB-CG2 4.24Å; A18-T38 HydrophobicContact CB-CG2 4.29Å; A18-N46 PolarHBondContact O-ND2 3.36Å; A18-W48 HydrophobicContact CB-CH2 4.48Å; A18-W48 HydrophobicContact CB-CZ2 3.85Å; A18-W48 WeakPolarHBondContact O-CZ2 3.46Å; A18-S293 PolarHBondContact N-O 3.47Å; A18-V295 HydrophobicContact CB-CB 4.1Å; A18-V295 HydrophobicContact CB-CG2 3.45Å; A18-V295 VanDerWaalsContact CB-CG2 3.45Å
19H92.6Very high91.9Very high8 Ų844.6 Ų44.64%0.03722%0.223CC..SBendtrans-144.2157.1-175.3-76.4-93.8000110.3R21 V23 T38 D42 R44 S293H19-R21 WeakPolarHBondContact CB-O 3.1Å; H19-R21 PolarHBondContact O-N 3.39Å; H19-V23 HydrophobicContact CB-CG2 4.2Å; H19-T38 PolarHBondContact CD2-OG1 3.31Å; H19-T38 VanDerWaalsContact NE2-C 3.34Å; H19-T38 WeakPolarHBondContact NE2-CB 3.27Å; H19-T38 PolarHBondContact NE2-O 2.91Å; H19-T38 VanDerWaalsContact NE2-O 3.17Å; H19-T38 PolarHBondContact NE2-OG1 3.36Å; H19-D42 WeakPolarHBondContact CB-OD2 3.24Å; H19-D42 IonicContact CE1-OD1 3.43Å; H19-D42 IonicContact CG-OD1 3.61Å; H19-D42 IonicContact CG-OD2 2.74Å; H19-D42 IonicContact ND1-OD1 2.91Å; H19-D42 PolarHBondContact ND1-OD1 2.72Å; H19-D42 IonicContact ND1-OD2 3.34Å; H19-D42 PolarHBondContact ND1-OD2 3.28Å; H19-R44 PolarHBondContact CE1-O 3.03Å; H19-S293 WeakPolarHBondContact O-CB 3.36Å
20S88.5Confident91.9Very high97 Ų9746.4 Ų46.468%0.67823%0.229SC*.SBendtrans-73.7-1.5175.3610000113.6D42S20-D42 PolarHBondContact N-OD2 3.41Å; S20-D42 VanDerWaalsContact OG-CB 3.23Å; S20-D42 WeakPolarHBondContact OG-CB 3.38Å; S20-D42 PolarHBondContact OG-OD2 3.05Å
21R92.1Very high91.6Very high148 Ų14850.7 Ų50.756%0.55825%0.25SC*.SBendtrans-143.6179.9-179.9-67-172.7172.6-155-2.9109.1H19 V23 E41 D42 S293H19-R21 WeakPolarHBondContact CB-O 3.1Å; H19-R21 PolarHBondContact O-N 3.39Å; R21-V23 PolarHBondContact O-N 3.48Å; R21-E41 HydrophobicContact CB-CB 3.96Å; R21-D42 HydrophobicContact CB-CB 4.37Å; R21-D42 HydrophobicContact CG-CB 4.23Å; R21-S293 WeakPolarHBondContact O-CA 3.47Å; R21-S293 WeakPolarHBondContact O-CB 3.36Å
22T93.9Very high91.3Very high49 Ų4951.1 Ų51.130%0.30126%0.256SS..  trans-44.1130.9166.424.30000112.9G40 E41 L292T22-G40 WeakPolarHBondContact O-CA 3.42Å; T22-E41 WeakPolarHBondContact CB-OE1 3.23Å; T22-E41 PolarHBondContact O-N 3.22Å; T22-E41 PolarHBondContact OG1-OE1 2.87Å; T22-L292 WeakPolarHBondContact CA-O 3.45Å; T22-L292 HydrophobicContact CG2-CD2 4.22Å
23V94.9Very high90.9Very high7 Ų745.6 Ų45.64%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-83.1124.5168.6-174.80000108.2A18 H19 R21 L26 G39 H290 L292 V295A18-V23 HydrophobicContact CB-CG2 4.24Å; H19-V23 HydrophobicContact CB-CG2 4.2Å; R21-V23 PolarHBondContact O-N 3.48Å; V23-L26 HydrophobicContact CG1-CD2 3.82Å; V23-L26 HydrophobicContact CG1-CG 4.41Å; V23-G39 WeakPolarHBondContact CG1-O 3.41Å; V23-H290 HydrophobicContact CB-CB 3.99Å; V23-H290 HydrophobicContact CG1-CB 4.11Å; V23-H290 PolarHBondContact O-CD2 2.63Å; V23-H290 VanDerWaalsContact O-CD2 3.3Å; V23-L292 PolarHBondContact N-O 2.95Å; V23-V295 HydrophobicContact CB-CG2 4.4Å; V23-V295 HydrophobicContact CG1-CG2 4.14Å; V23-V295 HydrophobicContact CG2-CG2 3.86Å
24S93.4Very high90.7Very high36 Ų3645.3 Ų45.325%0.25223%0.231SC..EExtended strand (participates in β ladder)trans-100.7-27.5-176330000112.1G39 G40 V66S24-G39 PolarHBondContact N-O 3.35Å; S24-G39 PolarHBondContact OG-O 2.88Å; S24-G39 VanDerWaalsContact OG-O 3.14Å; S24-G40 WeakPolarHBondContact OG-CA 3.49Å; S24-V66 WeakPolarHBondContact CB-O 3.13Å; S24-V66 PolarHBondContact OG-O 2.83Å
25C93.1Very high90.8Very high11 Ų1144.7 Ų44.77%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-150.9156.5177.959.10000114.3G39 V66 E67 C68C25-G39 PolarHBondContact N-O 2.88Å; C25-G39 VanDerWaalsContact N-O 3.12Å; C25-G39 PolarHBondContact O-N 3.38Å; C25-V66 PolarHBondContact SG-O 3.38Å; C25-E67 WeakPolarHBondContact CB-O 3.38Å; C25-C68 VanDerWaalsContact SG-C 3.59Å; C25-C68 VanDerWaalsContact SG-CA 3.53Å
26L95.1Very high90.9Very high13 Ų1340.2 Ų40.27%0.06821%0.207CC..EExtended strand (participates in β ladder)trans-136.8145.1179.3-60.7176.7000109.5V23 L36 A37 T38 V288 S289 H290 V295V23-L26 HydrophobicContact CG1-CD2 3.82Å; V23-L26 HydrophobicContact CG1-CG 4.41Å; L26-L36 HydrophobicContact CD2-CD1 4.49Å; L26-A37 WeakPolarHBondContact CA-O 3.44Å; L26-T38 HydrophobicContact CD2-CG2 3.58Å; L26-V288 HydrophobicContact CB-CG2 4.04Å; L26-V288 HydrophobicContact CD1-CB 4.05Å; L26-V288 HydrophobicContact CD1-CG2 4.01Å; L26-S289 VanDerWaalsContact CD1-C 3.45Å; L26-H290 HydrophobicContact CD1-CB 3.99Å; L26-H290 HydrophobicContact CG-CB 4.43Å; L26-V295 HydrophobicContact CD1-CG1 4.19Å; L26-V295 HydrophobicContact CD2-CB 4.48Å; L26-V295 HydrophobicContact CD2-CG1 3.76Å; L26-V295 HydrophobicContact CD2-CG2 3.81Å
27S94.9Very high91.1Very high7 Ų739.2 Ų39.25%0.04920%0.203CC..EExtended strand (participates in β ladder)trans-145134.7167.3-174.90000111.4L36 A37 V69 F71 D277S27-L36 WeakPolarHBondContact O-CA 3.42Å; S27-L36 WeakPolarHBondContact O-CD1 3.5Å; S27-A37 PolarHBondContact N-O 3.37Å; S27-A37 PolarHBondContact O-N 3.38Å; S27-V69 VanDerWaalsContact CB-O 3.32Å; S27-V69 WeakPolarHBondContact CB-O 3.44Å; S27-F71 WeakPolarHBondContact O-CE2 3.37Å; S27-D277 WeakPolarHBondContact CA-OD2 3.31Å
28L94Very high91.2Very high1 Ų133 Ų331%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-94.3140.3172.4-73.8166.3000111K30 L36 V50 D277 A279 I286 V288L28-K30 WeakPolarHBondContact O-CD 3.32Å; L28-K30 PolarHBondContact O-N 3.35Å; L28-L36 HydrophobicContact CD2-CB 4.17Å; L28-L36 HydrophobicContact CD2-CD1 4.14Å; L28-L36 HydrophobicContact CG-CD1 4.5Å; L28-V50 HydrophobicContact CD2-CG2 4.01Å; L28-D277 PolarHBondContact N-OD2 2.94Å; L28-A279 HydrophobicContact CB-CB 3.84Å; L28-A279 HydrophobicContact CD1-CB 3.91Å; L28-A279 HydrophobicContact CG-CB 4.47Å; L28-I286 HydrophobicContact CD1-CB 4.37Å; L28-I286 HydrophobicContact CD1-CG2 4.03Å; L28-I286 WeakPolarHBondContact CD1-O 3.48Å; L28-I286 HydrophobicContact CD2-CG2 4.26Å; L28-V288 HydrophobicContact CD1-CG1 4.05Å; L28-V288 HydrophobicContact CD1-CG2 3.87Å; L28-V288 HydrophobicContact CD2-CG1 3.87Å; L28-V288 HydrophobicContact CD2-CG2 4.46Å; L28-V288 HydrophobicContact CG-CG1 4.09Å; L28-V288 HydrophobicContact CG-CG2 3.82Å
29G90.3Very high91.5Very high0 Ų032.7 Ų32.70%017%0.172CC..  trans-60.1118.3166.200000110.6G33 L35 E75G29-G33 WeakPolarHBondContact O-CA 3.46Å; G29-G33 PolarHBondContact O-N 2.86Å; G29-L35 PolarHBondContact N-O 3.15Å; G29-E75 VanDerWaalsContact CA-CD 3.49Å; G29-E75 WeakPolarHBondContact CA-OE1 3.22Å
30K86.3Confident91.6Very high105 Ų10532.3 Ų32.346%0.45717%0.17SC..THydrogen-bonded Turntrans-78.7-20-173.9-56.2-51.9-171.5-164.20114.1L28 E75 D277 L278 A279L28-K30 WeakPolarHBondContact O-CD 3.32Å; L28-K30 PolarHBondContact O-N 3.35Å; K30-E75 PolarHBondContact N-OE1 3.02Å; K30-E75 VanDerWaalsContact N-OE1 3.09Å; K30-D277 IonicContact NZ-OD1 3.17Å; K30-D277 PolarHBondContact NZ-OD1 3.47Å; K30-D277 IonicContact NZ-OD2 3Å; K30-D277 PolarHBondContact NZ-OD2 2.91Å; K30-L278 PolarHBondContact NZ-O 3.49Å; K30-A279 HydrophobicContact CD-CB 4.48Å
31N83.8Confident91.9Very high120 Ų12031.5 Ų31.564%0.64216%0.155SC*.THydrogen-bonded Turntrans-95.6-42-175.1-179.643.7000111E75N31-E75 WeakPolarHBondContact CA-OE1 3.49Å; N31-E75 HydrophobicContact CB-CG 4.41Å; N31-E75 WeakPolarHBondContact CB-OE1 3.35Å; N31-E75 PolarHBondContact N-OE1 3.02Å
32S84Confident91.9Very high31 Ų3125.8 Ų25.822%0.21714%0.136CC..THydrogen-bonded Turntrans-89.4-33.2176.670.90000113.7R34 L35 E75 C281S32-R34 PolarHBondContact O-N 3.31Å; S32-R34 VanDerWaalsContact O-N 3.16Å; S32-R34 PolarHBondContact OG-N 3.11Å; S32-L35 PolarHBondContact OG-N 3.48Å; S32-E75 WeakPolarHBondContact CB-OE2 3.46Å; S32-E75 PolarHBondContact N-OE1 3.34Å; S32-E75 PolarHBondContact OG-OE1 3.37Å; S32-E75 PolarHBondContact OG-OE2 3.16Å; S32-C281 PolarHBondContact O-SG 3.12Å
33G83.8Confident92Very high0 Ų024.8 Ų24.80%013%0.131CC..SBendtrans53.227-163.300000112.9G29 I286G29-G33 WeakPolarHBondContact O-CA 3.46Å; G29-G33 PolarHBondContact O-N 2.86Å; G33-I286 WeakPolarHBondContact O-CD1 3.39Å
34R86.4Confident91.9Very high41 Ų4128.1 Ų28.116%0.15514%0.142CC..  trans-129.3-9-178.3-68.9-65.4177.9-82.65.2113.3S32 A49 V50 C281 E406 F408S32-R34 PolarHBondContact O-N 3.31Å; S32-R34 VanDerWaalsContact O-N 3.16Å; S32-R34 PolarHBondContact OG-N 3.11Å; R34-A49 CarbonylContact O-C 3.57Å; R34-A49 WeakPolarHBondContact O-CA 3.27Å; R34-V50 PolarHBondContact O-N 2.96Å; R34-C281 PolarHBondContact NH1-SG 3.03Å; R34-E406 PolarHBondContact NH2-O 3.26Å; R34-F408 VanDerWaalsContact CZ-CZ 3.5Å
35L92Very high92Very high10 Ų1026.5 Ų26.55%0.05213%0.131CC..EExtended strand (participates in β ladder)trans-105.7143.4170.6-61.2-178.8000112.1G29 S32 F71 E75 I390 F391G29-L35 PolarHBondContact N-O 3.15Å; S32-L35 PolarHBondContact OG-N 3.48Å; L35-F71 HydrophobicContact CB-CE1 4.32Å; L35-F71 HydrophobicContact CB-CE2 4.28Å; L35-F71 HydrophobicContact CB-CZ 3.83Å; L35-F71 HydrophobicContact CD1-CE1 4.49Å; L35-E75 HydrophobicContact CD1-CB 4.23Å; L35-I390 HydrophobicContact CD1-CG2 4.12Å; L35-I390 HydrophobicContact CD2-CD1 4.14Å; L35-I390 HydrophobicContact CD2-CG2 3.73Å; L35-I390 HydrophobicContact CG-CG2 4.45Å; L35-F391 HydrophobicContact CD1-CE1 3.85Å; L35-F391 HydrophobicContact CD1-CZ 3.8Å; L35-F391 HydrophobicContact CD2-CZ 4.32Å
36L94.6Very high92.1Very high3 Ų326.6 Ų26.62%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-133.3129.8175.5168.561.1000108.1F16 L26 S27 L28 T38 W48 V50 V288 V295F16-L36 HydrophobicContact CZ-CD2 4.05Å; L26-L36 HydrophobicContact CD2-CD1 4.49Å; S27-L36 WeakPolarHBondContact O-CA 3.42Å; S27-L36 WeakPolarHBondContact O-CD1 3.5Å; L28-L36 HydrophobicContact CD2-CB 4.17Å; L28-L36 HydrophobicContact CD2-CD1 4.14Å; L28-L36 HydrophobicContact CG-CD1 4.5Å; L36-T38 HydrophobicContact CD1-CG2 4.35Å; L36-T38 HydrophobicContact CD2-CG2 4.4Å; L36-T38 HydrophobicContact CG-CG2 4.08Å; L36-W48 HydrophobicContact CB-CB 4.33Å; L36-W48 PolarHBondContact N-O 3.36Å; L36-W48 PolarHBondContact O-N 3.19Å; L36-V50 HydrophobicContact CB-CG2 3.98Å; L36-V288 HydrophobicContact CD1-CB 4.48Å; L36-V288 HydrophobicContact CD1-CG1 4.17Å; L36-V288 HydrophobicContact CD1-CG2 4.17Å; L36-V288 HydrophobicContact CD2-CG1 4.23Å; L36-V295 HydrophobicContact CD2-CG1 4.08Å
37A95.6Very high92.1Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-110.9136.5169.400000109.8L26 S27 V45 N46 I47 V69 F71 V78L26-A37 WeakPolarHBondContact CA-O 3.44Å; S27-A37 PolarHBondContact N-O 3.37Å; S27-A37 PolarHBondContact O-N 3.38Å; A37-V45 HydrophobicContact CB-CG1 4.45Å; A37-N46 WeakPolarHBondContact CA-O 3.43Å; A37-I47 HydrophobicContact CB-CD1 3.58Å; A37-V69 HydrophobicContact CB-CG1 3.55Å; A37-F71 HydrophobicContact CB-CE1 4.39Å; A37-F71 HydrophobicContact CB-CE2 3.69Å; A37-F71 HydrophobicContact CB-CZ 3.6Å; A37-V78 HydrophobicContact CB-CG2 4.43Å
38T96.2Very high92Very high0 Ų026.3 Ų26.30%013%0.127CC..EExtended strand (participates in β ladder)trans-122135.4179.565.90000109A18 H19 L26 L36 V45 N46 W48 V295A18-T38 HydrophobicContact CB-CG2 4.29Å; H19-T38 PolarHBondContact CD2-OG1 3.31Å; H19-T38 VanDerWaalsContact NE2-C 3.34Å; H19-T38 WeakPolarHBondContact NE2-CB 3.27Å; H19-T38 PolarHBondContact NE2-O 2.91Å; H19-T38 VanDerWaalsContact NE2-O 3.17Å; H19-T38 PolarHBondContact NE2-OG1 3.36Å; L26-T38 HydrophobicContact CD2-CG2 3.58Å; L36-T38 HydrophobicContact CD1-CG2 4.35Å; L36-T38 HydrophobicContact CD2-CG2 4.4Å; L36-T38 HydrophobicContact CG-CG2 4.08Å; T38-V45 CarbonylContact O-C 3.52Å; T38-V45 VanDerWaalsContact O-CA 3.24Å; T38-V45 WeakPolarHBondContact O-CA 3.18Å; T38-N46 PolarHBondContact N-O 2.9Å; T38-N46 PolarHBondContact O-N 2.87Å; T38-N46 PolarHBondContact OG1-O 3.22Å; T38-W48 PolarHBondContact OG1-NE1 2.72Å; T38-V295 HydrophobicContact CG2-CG1 4.43Å; T38-V295 HydrophobicContact CG2-CG2 4.19Å
39G95.6Very high91.9Very high0 Ų026.7 Ų26.70%013%0.131CC..EExtended strand (participates in β ladder)trans-120.9138.9173.900000110.4V23 S24 C25V23-G39 WeakPolarHBondContact CG1-O 3.41Å; S24-G39 PolarHBondContact N-O 3.35Å; S24-G39 PolarHBondContact OG-O 2.88Å; S24-G39 VanDerWaalsContact OG-O 3.14Å; C25-G39 PolarHBondContact N-O 2.88Å; C25-G39 VanDerWaalsContact N-O 3.12Å; C25-G39 PolarHBondContact O-N 3.38Å
40G94.1Very high91.6Very high0 Ų027 Ų270%013%0.133CC..EExtended strand (participates in β ladder)trans-134.4174.6-173.600000115.1T22 S24 D42 C43 R44 V66T22-G40 WeakPolarHBondContact O-CA 3.42Å; S24-G40 WeakPolarHBondContact OG-CA 3.49Å; G40-D42 PolarHBondContact O-N 3.49Å; G40-C43 PolarHBondContact O-N 3.4Å; G40-R44 PolarHBondContact N-O 3.29Å; G40-V66 PolarHBondContact O-N 2.92Å
41E95Very high91.5Very high80 Ų8025.1 Ų25.137%0.37413%0.133SC..THydrogen-bonded Turntrans-70.9-5.9173.3-77.9-175-12700114.1R21 T22 C43 P65R21-E41 HydrophobicContact CB-CB 3.96Å; T22-E41 WeakPolarHBondContact CB-OE1 3.23Å; T22-E41 PolarHBondContact O-N 3.22Å; T22-E41 PolarHBondContact OG1-OE1 2.87Å; E41-C43 PolarHBondContact O-N 3.39Å; E41-P65 HydrophobicContact CB-CG 4.37Å; E41-P65 HydrophobicContact CG-CB 4.15Å; E41-P65 HydrophobicContact CG-CG 4.15Å
42D93.8Very high91.5Very high28 Ų2822.4 Ų22.415%0.1512%0.115CC..THydrogen-bonded Turntrans-85.111.1170.965.77.2000113.6H19 S20 R21 G40 R44H19-D42 WeakPolarHBondContact CB-OD2 3.24Å; H19-D42 IonicContact CE1-OD1 3.43Å; H19-D42 IonicContact CG-OD1 3.61Å; H19-D42 IonicContact CG-OD2 2.74Å; H19-D42 IonicContact ND1-OD1 2.91Å; H19-D42 PolarHBondContact ND1-OD1 2.72Å; H19-D42 IonicContact ND1-OD2 3.34Å; H19-D42 PolarHBondContact ND1-OD2 3.28Å; S20-D42 PolarHBondContact N-OD2 3.41Å; S20-D42 VanDerWaalsContact OG-CB 3.23Å; S20-D42 WeakPolarHBondContact OG-CB 3.38Å; S20-D42 PolarHBondContact OG-OD2 3.05Å; R21-D42 HydrophobicContact CB-CB 4.37Å; R21-D42 HydrophobicContact CG-CB 4.23Å; G40-D42 PolarHBondContact O-N 3.49Å; D42-R44 PolarHBondContact O-N 2.91Å; D42-R44 PolarHBondContact OD1-N 3.38Å
43C94.3Very high91.3Very high28 Ų2824 Ų2419%0.18913%0.131CC..SBendtrans63.314.3176.5-46.10000115G40 E41 H62 N64G40-C43 PolarHBondContact O-N 3.4Å; E41-C43 PolarHBondContact O-N 3.39Å; C43-H62 HydrophobicContact CB-CB 4.33Å; C43-H62 VanDerWaalsContact CB-O 3.32Å; C43-H62 WeakPolarHBondContact CB-O 3.5Å; C43-N64 VanDerWaalsContact SG-CA 3.58Å; C43-N64 PolarHBondContact SG-O 3.09Å
44R94.2Very high91.3Very high77 Ų7728.7 Ų28.729%0.29116%0.156SC..  trans-102.2159.9176.7-69.2172.1166.4-111-4.7111.4H19 G40 D42 S58 E380H19-R44 PolarHBondContact CE1-O 3.03Å; G40-R44 PolarHBondContact N-O 3.29Å; D42-R44 PolarHBondContact O-N 2.91Å; D42-R44 PolarHBondContact OD1-N 3.38Å; R44-S58 PolarHBondContact NH1-OG 2.9Å; R44-E380 IonicContact CZ-OE1 3.51Å; R44-E380 IonicContact CZ-OE2 2.63Å; R44-E380 IonicContact NH1-OE1 3.64Å; R44-E380 IonicContact NH1-OE2 3.98Å; R44-E380 PolarHBondContact NH1-OE2 2.56Å; R44-E380 IonicContact NH2-OE1 2.85Å; R44-E380 PolarHBondContact NH2-OE1 3.4Å; R44-E380 IonicContact NH2-OE2 2.99Å; R44-E380 PolarHBondContact NH2-OE2 2.94Å
45V95.7Very high91.4Very high1 Ų127.6 Ų27.61%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-123.7114.6165.6179.50000108.8A37 T38 I47 L59 V66 V69 A80 W90A37-V45 HydrophobicContact CB-CG1 4.45Å; T38-V45 CarbonylContact O-C 3.52Å; T38-V45 VanDerWaalsContact O-CA 3.24Å; T38-V45 WeakPolarHBondContact O-CA 3.18Å; V45-I47 HydrophobicContact CG1-CD1 4.29Å; V45-L59 HydrophobicContact CB-CB 4.17Å; V45-L59 HydrophobicContact CB-CD1 4.42Å; V45-L59 HydrophobicContact CG1-CD1 4.32Å; V45-L59 PolarHBondContact N-O 3.21Å; V45-L59 VanDerWaalsContact O-CB 3.28Å; V45-L59 WeakPolarHBondContact O-CB 3.25Å; V45-L59 PolarHBondContact O-N 3.16Å; V45-V66 HydrophobicContact CG2-CB 4.32Å; V45-V66 HydrophobicContact CG2-CG1 3.83Å; V45-V66 HydrophobicContact CG2-CG2 3.92Å; V45-V69 HydrophobicContact CG1-CG1 4.04Å; V45-V69 HydrophobicContact CG1-CG2 3.91Å; V45-V69 HydrophobicContact CG2-CG2 3.99Å; V45-A80 HydrophobicContact CG2-CB 3.77Å; V45-W90 HydrophobicContact CG2-CH2 4.25Å
46N94.9Very high91.3Very high14 Ų1427.1 Ų27.18%0.07515%0.151CC..EExtended strand (participates in β ladder)trans-101.3136.4-175.9-64.1-21.2000110.1A18 A37 T38 W48 S58A18-N46 PolarHBondContact O-ND2 3.36Å; A37-N46 WeakPolarHBondContact CA-O 3.43Å; T38-N46 PolarHBondContact N-O 2.9Å; T38-N46 PolarHBondContact O-N 2.87Å; T38-N46 PolarHBondContact OG1-O 3.22Å; N46-W48 HydrophobicContact CB-CZ2 3.75Å; N46-W48 VanDerWaalsContact O-CD1 3.29Å; N46-W48 PolarHBondContact O-NE1 3.4Å; N46-S58 WeakPolarHBondContact OD1-CA 3.41Å; N46-S58 WeakPolarHBondContact OD1-CB 3.43Å; N46-S58 PolarHBondContact OD1-OG 3.35Å
47I94.6Very high91.1Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-110130.9-178.3-50.4-61000109.3A37 V45 V56 M57 L59 F71 V78 L92 F391A37-I47 HydrophobicContact CB-CD1 3.58Å; V45-I47 HydrophobicContact CG1-CD1 4.29Å; I47-V56 WeakPolarHBondContact O-CB 3.31Å; I47-V56 PolarHBondContact O-N 3.34Å; I47-M57 HydrophobicContact CB-CG 3.78Å; I47-M57 HydrophobicContact CG1-CG 3.85Å; I47-M57 HydrophobicContact CG1-SD 4.17Å; I47-M57 PolarHBondContact N-O 3.43Å; I47-M57 PolarHBondContact O-N 3.28Å; I47-L59 HydrophobicContact CD1-CD1 4.03Å; I47-L59 HydrophobicContact CG1-CD1 4.02Å; I47-L59 HydrophobicContact CG1-CG 4.27Å; I47-F71 HydrophobicContact CD1-CE1 4.4Å; I47-F71 HydrophobicContact CD1-CZ 4.41Å; I47-V78 HydrophobicContact CD1-CG1 4.47Å; I47-L92 HydrophobicContact CD1-CD2 4.37Å; I47-L92 HydrophobicContact CG1-CD2 4.08Å; I47-F391 HydrophobicContact CG2-CZ 4.27Å
48W93.7Very high91Very high13 Ų1327 Ų275%0.04915%0.151CC..EExtended strand (participates in β ladder)trans-131.4145.7-171-47.981.3000110.4F16 A18 L36 T38 N46 C55F16-W48 HydrophobicContact CD2-CD2 4.29Å; F16-W48 AromaticContact CD2-CE3 3.86Å; F16-W48 HydrophobicContact CD2-CE3 3.86Å; F16-W48 AromaticContact CD2-CH2 3.79Å; F16-W48 HydrophobicContact CD2-CH2 3.79Å; F16-W48 HydrophobicContact CD2-CZ2 4.23Å; F16-W48 AromaticContact CD2-CZ3 3.57Å; F16-W48 HydrophobicContact CD2-CZ3 3.57Å; F16-W48 AromaticContact CE2-CD2 3.42Å; F16-W48 HydrophobicContact CE2-CD2 3.42Å; F16-W48 VanDerWaalsContact CE2-CD2 3.42Å; F16-W48 AromaticContact CE2-CE2 3.56Å; F16-W48 AromaticContact CE2-CE3 3.43Å; F16-W48 HydrophobicContact CE2-CE3 3.43Å; F16-W48 VanDerWaalsContact CE2-CE3 3.43Å; F16-W48 HydrophobicContact CE2-CG 4.09Å; F16-W48 AromaticContact CE2-CH2 3.75Å; F16-W48 HydrophobicContact CE2-CH2 3.75Å; F16-W48 AromaticContact CE2-CZ2 3.76Å; F16-W48 HydrophobicContact CE2-CZ2 3.76Å; F16-W48 AromaticContact CE2-CZ3 3.58Å; F16-W48 HydrophobicContact CE2-CZ3 3.58Å; F16-W48 AromaticContact CZ-CD2 3.84Å; F16-W48 HydrophobicContact CZ-CD2 3.84Å; F16-W48 AromaticContact CZ-CE3 3.98Å; F16-W48 HydrophobicContact CZ-CE3 3.98Å; F16-W48 HydrophobicContact CZ-CG 4.05Å; A18-W48 HydrophobicContact CB-CH2 4.48Å; A18-W48 HydrophobicContact CB-CZ2 3.85Å; A18-W48 WeakPolarHBondContact O-CZ2 3.46Å; L36-W48 HydrophobicContact CB-CB 4.33Å; L36-W48 PolarHBondContact N-O 3.36Å; L36-W48 PolarHBondContact O-N 3.19Å; T38-W48 PolarHBondContact OG1-NE1 2.72Å; N46-W48 HydrophobicContact CB-CZ2 3.75Å; N46-W48 VanDerWaalsContact O-CD1 3.29Å; N46-W48 PolarHBondContact O-NE1 3.4Å; W48-C55 HydrophobicContact CD2-CB 4.42Å; W48-C55 HydrophobicContact CE3-CB 4.04Å; W48-C55 HydrophobicContact CH2-CB 3.74Å; W48-C55 HydrophobicContact CZ2-CB 4.11Å; W48-C55 HydrophobicContact CZ3-CB 3.71Å
49A90.5Very high90.8Very high10 Ų1027.1 Ų27.18%0.08315%0.152CC..EExtended strand (participates in β ladder)trans-88.6123.816500000109.1R34 S51 K52 V56 I390R34-A49 CarbonylContact O-C 3.57Å; R34-A49 WeakPolarHBondContact O-CA 3.27Å; A49-S51 PolarHBondContact O-N 3.15Å; A49-K52 HydrophobicContact CB-CB 4.15Å; A49-K52 HydrophobicContact CB-CD 3.98Å; A49-K52 HydrophobicContact CB-CG 4.1Å; A49-K52 PolarHBondContact O-N 2.93Å; A49-V56 HydrophobicContact CB-CG2 4.36Å; A49-I390 HydrophobicContact CB-CD1 3.97Å
50V84.6Confident90.6Very high6 Ų628 Ų284%0.03616%0.157CC..THydrogen-bonded Turntrans-61.4126.6-179.8-178.40000109.1L13 L28 R34 L36 I286 F408L13-V50 HydrophobicContact CD2-CG1 3.78Å; L28-V50 HydrophobicContact CD2-CG2 4.01Å; R34-V50 PolarHBondContact O-N 2.96Å; L36-V50 HydrophobicContact CB-CG2 3.98Å; V50-I286 HydrophobicContact CG1-CG2 4.39Å; V50-F408 HydrophobicContact CB-CZ 4.22Å; V50-F408 HydrophobicContact CG1-CE2 3.98Å; V50-F408 HydrophobicContact CG1-CZ 3.77Å
51S83.7Confident90.3Very high66 Ų6629.3 Ų29.346%0.46217%0.17SC..THydrogen-bonded Turntrans86.9-12.6-167770000117.6A49A49-S51 PolarHBondContact O-N 3.15Å
52K85.1Confident90.2Very high62 Ų6226.1 Ų26.127%0.2716%0.155SC..  trans-96.8133.8171-59.1-171.9-176.4173.40109.4Q14 A49 N54 D386 E389Q14-K52 VanDerWaalsContact NE2-C 3.26Å; Q14-K52 PolarHBondContact NE2-O 3.18Å; A49-K52 HydrophobicContact CB-CB 4.15Å; A49-K52 HydrophobicContact CB-CD 3.98Å; A49-K52 HydrophobicContact CB-CG 4.1Å; A49-K52 PolarHBondContact O-N 2.93Å; K52-N54 VanDerWaalsContact C-N 3.34Å; K52-D386 WeakPolarHBondContact CD-OD1 3.3Å; K52-D386 VanDerWaalsContact CD-OD2 3.28Å; K52-D386 WeakPolarHBondContact CD-OD2 3.4Å; K52-D386 VanDerWaalsContact NZ-CG 3.34Å; K52-D386 IonicContact NZ-OD1 2.7Å; K52-D386 PolarHBondContact NZ-OD1 3.13Å; K52-D386 IonicContact NZ-OD2 2.72Å; K52-E389 IonicContact NZ-OE2 3.81Å; K52-E389 PolarHBondContact NZ-OE2 3.16Å
53A78.3Confident90.1Very high65 Ų6531.5 Ų31.554%0.53718%0.177SC..  trans-83-9.9179.600000114.1Q14Q14-A53 VanDerWaalsContact NE2-CA 3.29Å
54N85Confident90.1Very high99 Ų9933 Ų3353%0.52918%0.183SC..SBendtrans-88135.3179.4-61.9-16.3000110.1K52 V56K52-N54 VanDerWaalsContact C-N 3.34Å; N54-V56 PolarHBondContact O-N 3.43Å
55C88.4Confident90.2Very high17 Ų1730.3 Ų30.312%0.11518%0.176CC..EExtended strand (participates in β ladder)trans-62.6132.5165.7-175.40000109W48 M57 H382W48-C55 HydrophobicContact CD2-CB 4.42Å; W48-C55 HydrophobicContact CE3-CB 4.04Å; W48-C55 HydrophobicContact CH2-CB 3.74Å; W48-C55 HydrophobicContact CZ2-CB 4.11Å; W48-C55 HydrophobicContact CZ3-CB 3.71Å; C55-M57 PolarHBondContact SG-O 2.89Å; C55-H382 HydrophobicContact CB-CB 4.37Å; C55-H382 VanDerWaalsContact O-CB 3.26Å; C55-H382 WeakPolarHBondContact O-CB 3.39Å
56V89.7Confident90.2Very high0 Ų030.3 Ų30.30%018%0.176CC..EExtended strand (participates in β ladder)trans-78.8-47.7175.5-176.30000109I47 A49 N54 H382 N383 D386 Y387 I390 F391I47-V56 WeakPolarHBondContact O-CB 3.31Å; I47-V56 PolarHBondContact O-N 3.34Å; A49-V56 HydrophobicContact CB-CG2 4.36Å; N54-V56 PolarHBondContact O-N 3.43Å; V56-H382 PolarHBondContact O-N 2.89Å; V56-N383 PolarHBondContact O-N 3.01Å; V56-D386 HydrophobicContact CG1-CB 4.29Å; V56-D386 HydrophobicContact CG2-CB 4.14Å; V56-Y387 HydrophobicContact CG1-CD2 4.29Å; V56-I390 HydrophobicContact CG1-CD1 4.47Å; V56-I390 HydrophobicContact CG2-CD1 4.11Å; V56-F391 HydrophobicContact CG1-CE2 4.33Å
57M90.1Very high90.2Very high0 Ų032.5 Ų32.50%019%0.186CC..EExtended strand (participates in β ladder)trans-154.9148.2175.253.6163.534.400113.2I47 C55 L59 L92 A95 A379 E380 I381 Y387I47-M57 HydrophobicContact CB-CG 3.78Å; I47-M57 HydrophobicContact CG1-CG 3.85Å; I47-M57 HydrophobicContact CG1-SD 4.17Å; I47-M57 PolarHBondContact N-O 3.43Å; I47-M57 PolarHBondContact O-N 3.28Å; C55-M57 PolarHBondContact SG-O 2.89Å; M57-L59 HydrophobicContact CE-CD2 4.48Å; M57-L59 HydrophobicContact SD-CD2 3.59Å; M57-L59 VanDerWaalsContact SD-CD2 3.59Å; M57-L59 HydrophobicContact SD-CG 4.35Å; M57-L92 HydrophobicContact SD-CD2 3.77Å; M57-A95 HydrophobicContact CE-CB 3.78Å; M57-A379 HydrophobicContact CE-CB 3.9Å; M57-A379 HydrophobicContact SD-CB 4.49Å; M57-E380 CarbonylContact C-O 3.55Å; M57-E380 VanDerWaalsContact CA-O 3.31Å; M57-E380 WeakPolarHBondContact CA-O 3.23Å; M57-I381 HydrophobicContact CB-CG1 4.37Å; M57-I381 HydrophobicContact CE-CD1 4.48Å; M57-I381 HydrophobicContact CE-CG1 3.85Å; M57-Y387 HydrophobicContact CE-CD2 3.74Å; M57-Y387 HydrophobicContact CE-CE2 3.27Å; M57-Y387 HydrophobicContact SD-CE2 4.44Å
58S93.1Very high90.3Very high2 Ų232.8 Ų32.81%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-106114.8170.8-1720000110.2R44 N46 A379 E380R44-S58 PolarHBondContact NH1-OG 2.9Å; N46-S58 WeakPolarHBondContact OD1-CA 3.41Å; N46-S58 WeakPolarHBondContact OD1-CB 3.43Å; N46-S58 PolarHBondContact OD1-OG 3.35Å; S58-A379 CarbonylContact O-C 3.55Å; S58-A379 WeakPolarHBondContact O-CA 3.38Å; S58-E380 PolarHBondContact N-O 3.14Å; S58-E380 PolarHBondContact O-N 2.86Å
59L92.6Very high90.4Very high1 Ų132.8 Ų32.81%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-86.6120177.9-55.9177.1000109.4V45 I47 M57 V78 W90 L92 A379V45-L59 HydrophobicContact CB-CB 4.17Å; V45-L59 HydrophobicContact CB-CD1 4.42Å; V45-L59 HydrophobicContact CG1-CD1 4.32Å; V45-L59 PolarHBondContact N-O 3.21Å; V45-L59 VanDerWaalsContact O-CB 3.28Å; V45-L59 WeakPolarHBondContact O-CB 3.25Å; V45-L59 PolarHBondContact O-N 3.16Å; I47-L59 HydrophobicContact CD1-CD1 4.03Å; I47-L59 HydrophobicContact CG1-CD1 4.02Å; I47-L59 HydrophobicContact CG1-CG 4.27Å; M57-L59 HydrophobicContact CE-CD2 4.48Å; M57-L59 HydrophobicContact SD-CD2 3.59Å; M57-L59 VanDerWaalsContact SD-CD2 3.59Å; M57-L59 HydrophobicContact SD-CG 4.35Å; L59-V78 HydrophobicContact CD1-CG1 3.41Å; L59-V78 VanDerWaalsContact CD1-CG1 3.41Å; L59-W90 HydrophobicContact CB-CD2 4.29Å; L59-W90 HydrophobicContact CB-CG 4.45Å; L59-W90 HydrophobicContact CB-CZ2 4.11Å; L59-W90 HydrophobicContact CD1-CB 4.18Å; L59-W90 HydrophobicContact CD1-CD2 3.98Å; L59-W90 HydrophobicContact CD1-CE3 4.32Å; L59-W90 HydrophobicContact CD1-CG 3.95Å; L59-W90 HydrophobicContact CD2-CB 4.45Å; L59-W90 HydrophobicContact CD2-CG 4.18Å; L59-W90 HydrophobicContact CG-CG 4.44Å; L59-L92 HydrophobicContact CD1-CD2 4.22Å; L59-A379 HydrophobicContact CD2-CB 3.53Å
60T91.6Very high90.6Very high20 Ų2034.7 Ų34.712%0.12320%0.197CC..  trans-106.2166.6-171.574.10000114S378 E380T60-S378 PolarHBondContact N-O 2.78Å; T60-S378 PolarHBondContact OG1-O 3.23Å; T60-E380 HydrophobicContact CG2-CG 4.16Å
61G87Confident91.1Very high26 Ų2635 Ų3527%0.26820%0.198SC..  trans113.2-1.3156.100000117.3R88G61-R88 VanDerWaalsContact C-CZ 3.43Å; G61-R88 VanDerWaalsContact C-NH1 3.27Å; G61-R88 PolarHBondContact O-NH1 2.87Å; G61-R88 PolarHBondContact O-NH2 3.43Å
62H92.6Very high91.5Very high13 Ų1332.5 Ų32.56%0.0618%0.18CC..  trans-64.3145.9161.1-79.1-83.4000109.5C43 S82 S86 W90C43-H62 HydrophobicContact CB-CB 4.33Å; C43-H62 VanDerWaalsContact CB-O 3.32Å; C43-H62 WeakPolarHBondContact CB-O 3.5Å; H62-S82 VanDerWaalsContact ND1-CB 3.3Å; H62-S82 WeakPolarHBondContact ND1-CB 3.47Å; H62-S86 PolarHBondContact ND1-OG 3.09Å; H62-W90 AromaticContact CD2-CH2 3.68Å; H62-W90 AromaticContact NE2-CH2 3.49Å; H62-W90 WeakPolarHBondContact NE2-CH2 3.45Å
63K92.4Very high91.5Very high141 Ų14133 Ų3361%0.61320%0.196SC*.SBendtrans-92.5-0.8173.7-68.4-162.6174.8-163.80113D370K63-D370 IonicContact NZ-OD1 3.81Å; K63-D370 PolarHBondContact NZ-OD1 3Å; K63-D370 IonicContact NZ-OD2 3.19Å; K63-D370 PolarHBondContact NZ-OD2 2.77Å
64N94.9Very high91.9Very high59 Ų5932.2 Ų32.232%0.31619%0.186SC..SBendtrans-145.3160-174.8-53.192.6000110.1C43 S82 Q83 S84C43-N64 VanDerWaalsContact SG-CA 3.58Å; C43-N64 PolarHBondContact SG-O 3.09Å; N64-S82 WeakPolarHBondContact CB-OG 3.36Å; N64-S82 PolarHBondContact O-OG 2.67Å; N64-S82 VanDerWaalsContact O-OG 3.04Å; N64-Q83 HydrophobicContact CB-CB 4.36Å; N64-S84 WeakPolarHBondContact OD1-CB 3.16Å; N64-S84 PolarHBondContact OD1-OG 3.3Å
65P95.4Very high92.1Very high22 Ų2228.1 Ų28.114%0.14316%0.164CC..  trans-45.2147.4176.8-3438.1000114.9E41 S82 Q83E41-P65 HydrophobicContact CB-CG 4.37Å; E41-P65 HydrophobicContact CG-CB 4.15Å; E41-P65 HydrophobicContact CG-CG 4.15Å; P65-S82 CarbonylContact O-C 3.58Å; P65-S82 VanDerWaalsContact O-CA 3.22Å; P65-S82 WeakPolarHBondContact O-CA 3.37Å; P65-S82 VanDerWaalsContact O-CB 3.32Å; P65-S82 WeakPolarHBondContact O-CB 3.49Å; P65-S82 PolarHBondContact O-OG 2.87Å; P65-Q83 HydrophobicContact CB-CB 4.41Å; P65-Q83 PolarHBondContact O-N 3.4Å
66V96.6Very high92.1Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-96.9110.5179.3-176.40000109.9S24 C25 G40 V45 V69 A80S24-V66 WeakPolarHBondContact CB-O 3.13Å; S24-V66 PolarHBondContact OG-O 2.83Å; C25-V66 PolarHBondContact SG-O 3.38Å; G40-V66 PolarHBondContact O-N 2.92Å; V45-V66 HydrophobicContact CG2-CB 4.32Å; V45-V66 HydrophobicContact CG2-CG1 3.83Å; V45-V66 HydrophobicContact CG2-CG2 3.92Å; V66-V69 HydrophobicContact CG1-CG2 3.71Å; V66-A80 HydrophobicContact CG1-CB 3.78Å
67E95.4Very high92.2Very high60 Ų6033.7 Ų33.728%0.2819%0.188SC..EExtended strand (participates in β ladder)trans-90.7-25.9-169.9-67.4-76.6114.300112.8C25 G81 Q83 N107 V108C25-E67 WeakPolarHBondContact CB-O 3.38Å; E67-G81 PolarHBondContact N-O 3.33Å; E67-Q83 HydrophobicContact CG-CB 3.99Å; E67-N107 VanDerWaalsContact CD-ND2 3.29Å; E67-N107 HydrophobicContact CG-CB 4.08Å; E67-N107 PolarHBondContact OE2-ND2 2.95Å; E67-V108 WeakPolarHBondContact CB-O 3.44Å
68C95.1Very high92.4Very high7 Ų733.7 Ų33.75%0.04719%0.188CC..EExtended strand (participates in β ladder)trans-149.8151.5172.958.70000112C25 A80 G81 V108 T109C25-C68 VanDerWaalsContact SG-C 3.59Å; C25-C68 VanDerWaalsContact SG-CA 3.53Å; C68-A80 CarbonylContact O-C 3.59Å; C68-A80 VanDerWaalsContact O-CA 3.26Å; C68-A80 WeakPolarHBondContact O-CA 3.45Å; C68-G81 PolarHBondContact N-O 3.22Å; C68-G81 VanDerWaalsContact N-O 3.13Å; C68-G81 PolarHBondContact O-N 2.92Å; C68-V108 PolarHBondContact SG-O 2.98Å; C68-T109 WeakPolarHBondContact CB-O 3.34Å
69V96.7Very high92.5Very high12 Ų1233.6 Ų33.67%0.07319%0.187CC..EExtended strand (participates in β ladder)trans-137.6148.1174.9178.40000108.4S27 A37 V45 V66 V78 A79 A80S27-V69 VanDerWaalsContact CB-O 3.32Å; S27-V69 WeakPolarHBondContact CB-O 3.44Å; A37-V69 HydrophobicContact CB-CG1 3.55Å; V45-V69 HydrophobicContact CG1-CG1 4.04Å; V45-V69 HydrophobicContact CG1-CG2 3.91Å; V45-V69 HydrophobicContact CG2-CG2 3.99Å; V66-V69 HydrophobicContact CG1-CG2 3.71Å; V69-V78 HydrophobicContact CG1-CG2 3.5Å; V69-A79 CarbonylContact C-O 3.57Å; V69-A79 WeakPolarHBondContact CA-O 3.23Å; V69-A80 HydrophobicContact CG2-CB 3.84Å
70Q95.4Very high92.7Very high51 Ų5133.5 Ų33.524%0.23819%0.187CC..EExtended strand (participates in β ladder)trans-153.4142.6172.2-166-177.362.400111.5V78 A79 L111 G112 F113Q70-V78 WeakPolarHBondContact O-CA 3.29Å; Q70-V78 WeakPolarHBondContact O-CG2 3.32Å; Q70-A79 PolarHBondContact N-O 3.29Å; Q70-A79 PolarHBondContact O-N 3.36Å; Q70-L111 HydrophobicContact CB-CB 4.1Å; Q70-L111 VanDerWaalsContact CD-O 3.28Å; Q70-L111 PolarHBondContact NE2-O 2.9Å; Q70-L111 VanDerWaalsContact OE1-C 3.29Å; Q70-L111 PolarHBondContact OE1-O 2.99Å; Q70-G112 VanDerWaalsContact OE1-C 3.24Å; Q70-F113 HydrophobicContact CG-CD2 4.49Å; Q70-F113 WeakPolarHBondContact O-CE2 3.41Å
71F94Very high92.9Very high13 Ų1332.6 Ų32.66%0.05718%0.181CC..EExtended strand (participates in β ladder)trans-81.6154.5169.2-68.9-79.5000112.5S27 L35 A37 I47 E75 Q77 V78 L92 F113S27-F71 WeakPolarHBondContact O-CE2 3.37Å; L35-F71 HydrophobicContact CB-CE1 4.32Å; L35-F71 HydrophobicContact CB-CE2 4.28Å; L35-F71 HydrophobicContact CB-CZ 3.83Å; L35-F71 HydrophobicContact CD1-CE1 4.49Å; A37-F71 HydrophobicContact CB-CE1 4.39Å; A37-F71 HydrophobicContact CB-CE2 3.69Å; A37-F71 HydrophobicContact CB-CZ 3.6Å; I47-F71 HydrophobicContact CD1-CE1 4.4Å; I47-F71 HydrophobicContact CD1-CZ 4.41Å; F71-E75 HydrophobicContact CB-CG 4.34Å; F71-Q77 WeakPolarHBondContact CA-O 3.42Å; F71-V78 HydrophobicContact CD1-CB 4.24Å; F71-V78 HydrophobicContact CD1-CG2 4.44Å; F71-L92 HydrophobicContact CD1-CD1 3.96Å; F71-L92 HydrophobicContact CE1-CD1 3.81Å; F71-F113 VanDerWaalsContact O-CD2 3.3Å; F71-F113 WeakPolarHBondContact O-CD2 3.29Å
72S91.6Very high93.4Very high12 Ų1231.3 Ų31.38%0.08417%0.168CC..  trans-65.8160.5161.668.60000111.1S74 E75 E76 Q77S72-S74 PolarHBondContact O-N 3.49Å; S72-S74 VanDerWaalsContact O-N 3.15Å; S72-S74 PolarHBondContact OG-OG 3.41Å; S72-S74 VanDerWaalsContact OG-OG 3.04Å; S72-E75 PolarHBondContact O-N 2.87Å; S72-E75 PolarHBondContact OG-N 3.34Å; S72-E76 PolarHBondContact OG-N 2.66Å; S72-Q77 PolarHBondContact N-O 3.32Å; S72-Q77 PolarHBondContact OG-N 3.28Å; S72-Q77 PolarHBondContact OG-O 2.7Å
73A86.5Confident93.5Very high73 Ų7334.8 Ų34.860%0.60318%0.184SC*.THydrogen-bonded Turntrans-61.1-21.4174.900000113.6
74S85.6Confident93.6Very high48 Ų4830.5 Ų30.534%0.33617%0.172SC..THydrogen-bonded Turntrans-89.2-11.717462.30000114.4S72 E76S72-S74 PolarHBondContact O-N 3.49Å; S72-S74 VanDerWaalsContact O-N 3.15Å; S72-S74 PolarHBondContact OG-OG 3.41Å; S72-S74 VanDerWaalsContact OG-OG 3.04Å; S74-E76 VanDerWaalsContact CB-CD 3.48Å; S74-E76 WeakPolarHBondContact CB-OE2 3.3Å; S74-E76 PolarHBondContact O-N 2.64Å; S74-E76 VanDerWaalsContact OG-CD 3.32Å; S74-E76 PolarHBondContact OG-OE2 3Å
75E88.9Confident93.4Very high13 Ų1327.7 Ų27.76%0.06116%0.158CC..SBendtrans60.414.5-172.5-59176.9-165.500115.2G29 K30 N31 S32 L35 F71 S72 L92G29-E75 VanDerWaalsContact CA-CD 3.49Å; G29-E75 WeakPolarHBondContact CA-OE1 3.22Å; K30-E75 PolarHBondContact N-OE1 3.02Å; K30-E75 VanDerWaalsContact N-OE1 3.09Å; N31-E75 WeakPolarHBondContact CA-OE1 3.49Å; N31-E75 HydrophobicContact CB-CG 4.41Å; N31-E75 WeakPolarHBondContact CB-OE1 3.35Å; N31-E75 PolarHBondContact N-OE1 3.02Å; S32-E75 WeakPolarHBondContact CB-OE2 3.46Å; S32-E75 PolarHBondContact N-OE1 3.34Å; S32-E75 PolarHBondContact OG-OE1 3.37Å; S32-E75 PolarHBondContact OG-OE2 3.16Å; L35-E75 HydrophobicContact CD1-CB 4.23Å; F71-E75 HydrophobicContact CB-CG 4.34Å; S72-E75 PolarHBondContact O-N 2.87Å; S72-E75 PolarHBondContact OG-N 3.34Å; E75-L92 WeakPolarHBondContact O-CD1 3.45Å
76E89.3Confident93.4Very high86 Ų8627.3 Ų27.340%0.40216%0.156SC..SBendtrans-84-19.5174.8-65.4150.6172.400112.6S72 S74 L92 K394S72-E76 PolarHBondContact OG-N 2.66Å; S74-E76 VanDerWaalsContact CB-CD 3.48Å; S74-E76 WeakPolarHBondContact CB-OE2 3.3Å; S74-E76 PolarHBondContact O-N 2.64Å; S74-E76 VanDerWaalsContact OG-CD 3.32Å; S74-E76 PolarHBondContact OG-OE2 3Å; E76-L92 WeakPolarHBondContact O-CB 3.41Å; E76-L92 PolarHBondContact O-N 2.73Å; E76-K394 IonicContact OE1-NZ 2.71Å
77Q91.8Very high93.4Very high48 Ų4827.3 Ų27.322%0.22416%0.156CC..EExtended strand (participates in β ladder)trans-129.2149.7178.9-65.5178.11400110.6F71 S72 W90 L98 F113F71-Q77 WeakPolarHBondContact CA-O 3.42Å; S72-Q77 PolarHBondContact N-O 3.32Å; S72-Q77 PolarHBondContact OG-N 3.28Å; S72-Q77 PolarHBondContact OG-O 2.7Å; Q77-W90 VanDerWaalsContact CA-O 3.32Å; Q77-W90 WeakPolarHBondContact CA-O 3.18Å; Q77-L98 HydrophobicContact CG-CD1 3.88Å; Q77-F113 HydrophobicContact CB-CZ 4.39Å
78V94.3Very high93.3Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-127.1139168.763.50000109A37 I47 L59 V69 Q70 F71 V89 W90 L92A37-V78 HydrophobicContact CB-CG2 4.43Å; I47-V78 HydrophobicContact CD1-CG1 4.47Å; L59-V78 HydrophobicContact CD1-CG1 3.41Å; L59-V78 VanDerWaalsContact CD1-CG1 3.41Å; V69-V78 HydrophobicContact CG1-CG2 3.5Å; Q70-V78 WeakPolarHBondContact O-CA 3.29Å; Q70-V78 WeakPolarHBondContact O-CG2 3.32Å; F71-V78 HydrophobicContact CD1-CB 4.24Å; F71-V78 HydrophobicContact CD1-CG2 4.44Å; V78-V89 WeakPolarHBondContact O-CA 3.35Å; V78-W90 HydrophobicContact CG1-CB 4.07Å; V78-W90 HydrophobicContact CG1-CE3 4.18Å; V78-W90 PolarHBondContact N-O 3.43Å; V78-W90 VanDerWaalsContact N-O 3.16Å; V78-W90 PolarHBondContact O-N 2.89Å; V78-L92 HydrophobicContact CB-CD1 4.21Å; V78-L92 HydrophobicContact CG1-CD1 4.31Å; V78-L92 HydrophobicContact CG1-CD2 3.77Å; V78-L92 HydrophobicContact CG1-CG 4.13Å
79A95.3Very high93.3Very high0 Ų026 Ų260%015%0.147CC..EExtended strand (participates in β ladder)trans-114.3142.7170.400000109.6V69 Q70 R88 V89 L111 F113 L120V69-A79 CarbonylContact C-O 3.57Å; V69-A79 WeakPolarHBondContact CA-O 3.23Å; Q70-A79 PolarHBondContact N-O 3.29Å; Q70-A79 PolarHBondContact O-N 3.36Å; A79-R88 CarbonylContact C-O 3.58Å; A79-R88 VanDerWaalsContact CA-O 3.26Å; A79-R88 WeakPolarHBondContact CA-O 3.11Å; A79-V89 HydrophobicContact CB-CG2 4.08Å; A79-L111 HydrophobicContact CB-CD1 3.78Å; A79-L111 WeakPolarHBondContact O-CD1 3.34Å; A79-F113 HydrophobicContact CB-CE2 3.6Å; A79-F113 HydrophobicContact CB-CZ 3.62Å; A79-L120 HydrophobicContact CB-CD1 3.85Å; A79-L120 HydrophobicContact CB-CD2 4.04Å
80A96.6Very high93.2Very high0 Ų025.4 Ų25.40%014%0.144CC..EExtended strand (participates in β ladder)trans-134.713917500000111.1V45 V66 C68 V69 I87 R88 W90V45-A80 HydrophobicContact CG2-CB 3.77Å; V66-A80 HydrophobicContact CG1-CB 3.78Å; C68-A80 CarbonylContact O-C 3.59Å; C68-A80 VanDerWaalsContact O-CA 3.26Å; C68-A80 WeakPolarHBondContact O-CA 3.45Å; V69-A80 HydrophobicContact CG2-CB 3.84Å; A80-I87 CarbonylContact O-C 3.55Å; A80-I87 VanDerWaalsContact O-CA 3.25Å; A80-I87 WeakPolarHBondContact O-CA 3.26Å; A80-I87 WeakPolarHBondContact O-CG2 3.38Å; A80-R88 PolarHBondContact N-O 3.18Å; A80-R88 PolarHBondContact O-N 3.25Å; A80-W90 HydrophobicContact CB-CH2 3.86Å; A80-W90 HydrophobicContact CB-CZ3 3.52Å
81G96.1Very high93Very high0 Ų024.8 Ų24.80%014%0.142CC..EExtended strand (participates in β ladder)trans-111.6137.5178.700000110.5E67 C68E67-G81 PolarHBondContact N-O 3.33Å; C68-G81 PolarHBondContact N-O 3.22Å; C68-G81 VanDerWaalsContact N-O 3.13Å; C68-G81 PolarHBondContact O-N 2.92Å
82S96.3Very high92.7Very high0 Ų024.1 Ų24.10%014%0.139CC..EExtended strand (participates in β ladder)trans-115.2160.4-172174.40000112.4H62 N64 P65 S84 G85 S86 V108H62-S82 VanDerWaalsContact ND1-CB 3.3Å; H62-S82 WeakPolarHBondContact ND1-CB 3.47Å; N64-S82 WeakPolarHBondContact CB-OG 3.36Å; N64-S82 PolarHBondContact O-OG 2.67Å; N64-S82 VanDerWaalsContact O-OG 3.04Å; P65-S82 CarbonylContact O-C 3.58Å; P65-S82 VanDerWaalsContact O-CA 3.22Å; P65-S82 WeakPolarHBondContact O-CA 3.37Å; P65-S82 VanDerWaalsContact O-CB 3.32Å; P65-S82 WeakPolarHBondContact O-CB 3.49Å; P65-S82 PolarHBondContact O-OG 2.87Å; S82-S84 PolarHBondContact O-N 3.29Å; S82-S84 VanDerWaalsContact O-N 3.09Å; S82-G85 PolarHBondContact O-N 3.3Å; S82-S86 WeakPolarHBondContact CB-O 3.39Å; S82-S86 PolarHBondContact N-O 3.02Å; S82-V108 PolarHBondContact O-N 3.41Å
83Q95.4Very high92.5Very high85 Ų8528 Ų2840%0.39716%0.156SC..THydrogen-bonded Turntrans-49.8-32.1175.5-176.8172.244.500113.2N64 P65 E67 G85 A106 N107N64-Q83 HydrophobicContact CB-CB 4.36Å; P65-Q83 HydrophobicContact CB-CB 4.41Å; P65-Q83 PolarHBondContact O-N 3.4Å; E67-Q83 HydrophobicContact CG-CB 3.99Å; Q83-G85 VanDerWaalsContact C-N 3.26Å; Q83-G85 PolarHBondContact O-N 2.9Å; Q83-A106 CarbonylContact O-C 3.26Å; Q83-N107 WeakPolarHBondContact O-CA 3.5Å; Q83-N107 PolarHBondContact O-N 3.43Å; Q83-N107 VanDerWaalsContact O-N 3.12Å; Q83-N107 PolarHBondContact O-OD1 3.2Å
84S93.6Very high92.4Very high51 Ų5126.6 Ų26.636%0.35714%0.144SC..THydrogen-bonded Turntrans-78.96.6179.152.20000115.8N64 S82 S86N64-S84 WeakPolarHBondContact OD1-CB 3.16Å; N64-S84 PolarHBondContact OD1-OG 3.3Å; S82-S84 PolarHBondContact O-N 3.29Å; S82-S84 VanDerWaalsContact O-N 3.09Å; S84-S86 PolarHBondContact O-N 3.18Å; S84-S86 PolarHBondContact OG-OG 3.26Å
85G92.6Very high92.5Very high1 Ų125 Ų251%0.0113%0.134CC..SBendtrans71.212.1-173.800000113.6S82 Q83 A106S82-G85 PolarHBondContact O-N 3.3Å; Q83-G85 VanDerWaalsContact C-N 3.26Å; Q83-G85 PolarHBondContact O-N 2.9Å; G85-A106 WeakPolarHBondContact CA-O 3.5Å; G85-A106 PolarHBondContact N-O 3.38Å
86S94.5Very high92.5Very high14 Ų1430.9 Ų30.910%0.09816%0.159CC..EExtended strand (participates in β ladder)trans-89.4137.9172.364.30000110.4H62 S82 S84H62-S86 PolarHBondContact ND1-OG 3.09Å; S82-S86 WeakPolarHBondContact CB-O 3.39Å; S82-S86 PolarHBondContact N-O 3.02Å; S84-S86 PolarHBondContact O-N 3.18Å; S84-S86 PolarHBondContact OG-OG 3.26Å
87I95.6Very high92.5Very high0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-122.8137.1176.4-58.8166.5000107.6A80 L101 V108 L111 L120 S122 W132A80-I87 CarbonylContact O-C 3.55Å; A80-I87 VanDerWaalsContact O-CA 3.25Å; A80-I87 WeakPolarHBondContact O-CA 3.26Å; A80-I87 WeakPolarHBondContact O-CG2 3.38Å; I87-L101 HydrophobicContact CB-CB 4.19Å; I87-L101 HydrophobicContact CG2-CD1 4.46Å; I87-L101 PolarHBondContact N-O 3.49Å; I87-L101 PolarHBondContact O-N 3.2Å; I87-V108 HydrophobicContact CD1-CG1 4.04Å; I87-V108 HydrophobicContact CD1-CG2 4.17Å; I87-V108 HydrophobicContact CG1-CB 4.44Å; I87-V108 HydrophobicContact CG1-CG1 4.11Å; I87-V108 HydrophobicContact CG1-CG2 3.79Å; I87-L111 HydrophobicContact CD1-CD2 4.12Å; I87-L111 HydrophobicContact CG2-CD2 4.29Å; I87-L120 HydrophobicContact CG2-CD2 3.86Å; I87-S122 WeakPolarHBondContact CD1-OG 3.5Å; I87-W132 HydrophobicContact CD1-CZ2 4.14Å
88R94.9Very high92.4Very high39 Ų3929.6 Ų29.615%0.14716%0.156CC..EExtended strand (participates in β ladder)trans-120148171.4-71.1-179.7179-140.1-5.1109.9G61 A79 A80 W90 R99 T100G61-R88 VanDerWaalsContact C-CZ 3.43Å; G61-R88 VanDerWaalsContact C-NH1 3.27Å; G61-R88 PolarHBondContact O-NH1 2.87Å; G61-R88 PolarHBondContact O-NH2 3.43Å; A79-R88 CarbonylContact C-O 3.58Å; A79-R88 VanDerWaalsContact CA-O 3.26Å; A79-R88 WeakPolarHBondContact CA-O 3.11Å; A80-R88 PolarHBondContact N-O 3.18Å; A80-R88 PolarHBondContact O-N 3.25Å; R88-W90 HydrophobicContact CB-CD2 4.4Å; R88-W90 HydrophobicContact CB-CE3 4.02Å; R88-W90 HydrophobicContact CB-CH2 3.46Å; R88-W90 VanDerWaalsContact CB-CH2 3.46Å; R88-W90 HydrophobicContact CB-CZ2 3.84Å; R88-W90 HydrophobicContact CB-CZ3 3.53Å; R88-W90 HydrophobicContact CG-CH2 4.43Å; R88-W90 WeakPolarHBondContact O-CZ3 3.42Å; R88-R99 WeakPolarHBondContact CA-O 3.25Å; R88-T100 HydrophobicContact CG-CG2 4.15Å
89V94.3Very high92.2Very high0 Ų032.5 Ų32.50%017%0.167CC..EExtended strand (participates in β ladder)trans-124.5124.2173.4-1710000107.1V78 A79 L98 R99 L101 F113 L120V78-V89 WeakPolarHBondContact O-CA 3.35Å; A79-V89 HydrophobicContact CB-CG2 4.08Å; V89-L98 HydrophobicContact CG1-CD1 4.34Å; V89-L98 PolarHBondContact O-N 3.18Å; V89-R99 HydrophobicContact CB-CB 4.49Å; V89-R99 PolarHBondContact N-O 3.28Å; V89-R99 PolarHBondContact O-N 3.06Å; V89-L101 HydrophobicContact CG2-CD1 4.24Å; V89-F113 HydrophobicContact CG1-CZ 4.45Å; V89-L120 HydrophobicContact CG2-CD2 4.23Å
90W93.9Very high92.1Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-109.3148.4176.5-61.7-108.5000110.5V45 L59 H62 Q77 V78 A80 R88 K96 I97V45-W90 HydrophobicContact CG2-CH2 4.25Å; L59-W90 HydrophobicContact CB-CD2 4.29Å; L59-W90 HydrophobicContact CB-CG 4.45Å; L59-W90 HydrophobicContact CB-CZ2 4.11Å; L59-W90 HydrophobicContact CD1-CB 4.18Å; L59-W90 HydrophobicContact CD1-CD2 3.98Å; L59-W90 HydrophobicContact CD1-CE3 4.32Å; L59-W90 HydrophobicContact CD1-CG 3.95Å; L59-W90 HydrophobicContact CD2-CB 4.45Å; L59-W90 HydrophobicContact CD2-CG 4.18Å; L59-W90 HydrophobicContact CG-CG 4.44Å; H62-W90 AromaticContact CD2-CH2 3.68Å; H62-W90 AromaticContact NE2-CH2 3.49Å; H62-W90 WeakPolarHBondContact NE2-CH2 3.45Å; Q77-W90 VanDerWaalsContact CA-O 3.32Å; Q77-W90 WeakPolarHBondContact CA-O 3.18Å; V78-W90 HydrophobicContact CG1-CB 4.07Å; V78-W90 HydrophobicContact CG1-CE3 4.18Å; V78-W90 PolarHBondContact N-O 3.43Å; V78-W90 VanDerWaalsContact N-O 3.16Å; V78-W90 PolarHBondContact O-N 2.89Å; A80-W90 HydrophobicContact CB-CH2 3.86Å; A80-W90 HydrophobicContact CB-CZ3 3.52Å; R88-W90 HydrophobicContact CB-CD2 4.4Å; R88-W90 HydrophobicContact CB-CE3 4.02Å; R88-W90 HydrophobicContact CB-CH2 3.46Å; R88-W90 VanDerWaalsContact CB-CH2 3.46Å; R88-W90 HydrophobicContact CB-CZ2 3.84Å; R88-W90 HydrophobicContact CB-CZ3 3.53Å; R88-W90 HydrophobicContact CG-CH2 4.43Å; R88-W90 WeakPolarHBondContact O-CZ3 3.42Å; W90-K96 CarbonylContact C-O 3.56Å; W90-K96 VanDerWaalsContact CA-O 3.27Å; W90-K96 WeakPolarHBondContact CA-O 3.48Å; W90-I97 HydrophobicContact CD2-CG1 4.37Å; W90-I97 HydrophobicContact CG-CG1 4.12Å
91D91.3Very high91.9Very high37 Ų3735.1 Ų35.120%0.19818%0.182CC..EExtended strand (participates in β ladder)trans-87.7124.6162.4-169.1-41.6000108.1E93 A94 A95 K96 L98D91-E93 WeakPolarHBondContact OD1-CA 3.28Å; D91-E93 PolarHBondContact OD1-N 3.33Å; D91-A94 HydrophobicContact CB-CB 3.92Å; D91-A94 VanDerWaalsContact CG-CB 3.49Å; D91-A94 PolarHBondContact OD1-N 2.92Å; D91-A95 WeakPolarHBondContact O-CA 3.29Å; D91-A95 PolarHBondContact O-N 3.17Å; D91-A95 VanDerWaalsContact O-N 3.11Å; D91-K96 PolarHBondContact N-O 2.81Å; D91-K96 PolarHBondContact O-N 3.49Å; D91-L98 HydrophobicContact CB-CD1 3.91Å; D91-L98 HydrophobicContact CB-CD2 3.89Å; D91-L98 HydrophobicContact CB-CG 3.72Å
92L88.9Confident91.7Very high0 Ų041.6 Ų41.60%022%0.215CC..THydrogen-bonded Turntrans-86.4-17.7-179.1-65.7170.9000112.8I47 M57 L59 F71 E75 E76 V78 Y387 F391I47-L92 HydrophobicContact CD1-CD2 4.37Å; I47-L92 HydrophobicContact CG1-CD2 4.08Å; M57-L92 HydrophobicContact SD-CD2 3.77Å; L59-L92 HydrophobicContact CD1-CD2 4.22Å; F71-L92 HydrophobicContact CD1-CD1 3.96Å; F71-L92 HydrophobicContact CE1-CD1 3.81Å; E75-L92 WeakPolarHBondContact O-CD1 3.45Å; E76-L92 WeakPolarHBondContact O-CB 3.41Å; E76-L92 PolarHBondContact O-N 2.73Å; V78-L92 HydrophobicContact CB-CD1 4.21Å; V78-L92 HydrophobicContact CG1-CD1 4.31Å; V78-L92 HydrophobicContact CG1-CD2 3.77Å; V78-L92 HydrophobicContact CG1-CG 4.13Å; L92-Y387 WeakPolarHBondContact O-CE2 3.32Å; L92-Y387 PolarHBondContact O-OH 3.05Å; L92-F391 HydrophobicContact CB-CD1 3.8Å; L92-F391 HydrophobicContact CB-CE1 3.59Å; L92-F391 HydrophobicContact CB-CG 4.5Å; L92-F391 HydrophobicContact CB-CZ 4.11Å; L92-F391 HydrophobicContact CD1-CE1 3.92Å; L92-F391 HydrophobicContact CD1-CZ 4.22Å; L92-F391 HydrophobicContact CG-CE1 4.31Å
93E87.1Confident91.3Very high93 Ų9343.3 Ų43.344%0.43523%0.232SC..THydrogen-bonded Turntrans-86.7-37.6173176175.8170.900111.3D91 Y387 P393D91-E93 WeakPolarHBondContact OD1-CA 3.28Å; D91-E93 PolarHBondContact OD1-N 3.33Å; E93-Y387 VanDerWaalsContact C-OH 3.22Å; E93-Y387 PolarHBondContact O-OH 2.89Å; E93-P393 WeakPolarHBondContact OE1-CA 3.36Å; E93-P393 WeakPolarHBondContact OE1-CB 3.42Å; E93-P393 WeakPolarHBondContact OE1-CD 3.38Å
94A85.2Confident91.2Very high43 Ų4339.8 Ų39.836%0.35522%0.216SC..THydrogen-bonded Turntrans-88.2-4.4176.800000114D91 K96D91-A94 HydrophobicContact CB-CB 3.92Å; D91-A94 VanDerWaalsContact CG-CB 3.49Å; D91-A94 PolarHBondContact OD1-N 2.92Å; A94-K96 VanDerWaalsContact C-N 3.28Å; A94-K96 WeakPolarHBondContact O-CD 3.36Å; A94-K96 VanDerWaalsContact O-CG 3.24Å; A94-K96 WeakPolarHBondContact O-CG 3.3Å; A94-K96 PolarHBondContact O-N 3.06Å
95A86.6Confident91.2Very high15 Ų1546.3 Ų46.312%0.12424%0.238CC..THydrogen-bonded Turntrans53.337.5179.600000114.2M57 D91 A379 I381M57-A95 HydrophobicContact CE-CB 3.78Å; D91-A95 WeakPolarHBondContact O-CA 3.29Å; D91-A95 PolarHBondContact O-N 3.17Å; D91-A95 VanDerWaalsContact O-N 3.11Å; A95-A379 HydrophobicContact CB-CB 4.01Å; A95-A379 VanDerWaalsContact O-CB 3.23Å; A95-A379 WeakPolarHBondContact O-CB 3.26Å; A95-A379 PolarHBondContact O-N 3.06Å; A95-I381 HydrophobicContact CB-CD1 3.99Å; A95-I381 HydrophobicContact CB-CG1 4.4Å
96K88.8Confident91.3Very high136 Ų13647.5 Ų47.559%0.59125%0.247SC*.EExtended strand (participates in β ladder)trans-141.7152.3-166.1-80.3164.3-170168.40112.9W90 D91 A94 L98W90-K96 CarbonylContact C-O 3.56Å; W90-K96 VanDerWaalsContact CA-O 3.27Å; W90-K96 WeakPolarHBondContact CA-O 3.48Å; D91-K96 PolarHBondContact N-O 2.81Å; D91-K96 PolarHBondContact O-N 3.49Å; A94-K96 VanDerWaalsContact C-N 3.28Å; A94-K96 WeakPolarHBondContact O-CD 3.36Å; A94-K96 VanDerWaalsContact O-CG 3.24Å; A94-K96 WeakPolarHBondContact O-CG 3.3Å; A94-K96 PolarHBondContact O-N 3.06Å; K96-L98 PolarHBondContact O-N 2.94Å
97I90Very high91.3Very high41 Ų4148.7 Ų48.721%0.2125%0.252CS..EExtended strand (participates in β ladder)trans-69.1117.5168.7-66.1159.9000108.8W90 P377W90-I97 HydrophobicContact CD2-CG1 4.37Å; W90-I97 HydrophobicContact CG-CG1 4.12Å; I97-P377 HydrophobicContact CD1-CB 3.75Å; I97-P377 HydrophobicContact CD1-CG 3.67Å
98L89.6Confident91.4Very high67 Ų6748.7 Ų48.735%0.35125%0.252SS..EExtended strand (participates in β ladder)trans-71.5-50.1167.9-69.2168.6000109.9Q77 V89 D91 K96Q77-L98 HydrophobicContact CG-CD1 3.88Å; V89-L98 HydrophobicContact CG1-CD1 4.34Å; V89-L98 PolarHBondContact O-N 3.18Å; D91-L98 HydrophobicContact CB-CD1 3.91Å; D91-L98 HydrophobicContact CB-CD2 3.89Å; D91-L98 HydrophobicContact CB-CG 3.72Å; K96-L98 PolarHBondContact O-N 2.94Å
99R90.5Very high91.4Very high61 Ų6148 Ų4823%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-148.5141.8-170.2-55.8-66.7-64.496.712.9112.1R88 V89 L101 V134 R136R88-R99 WeakPolarHBondContact CA-O 3.25Å; V89-R99 HydrophobicContact CB-CB 4.49Å; V89-R99 PolarHBondContact N-O 3.28Å; V89-R99 PolarHBondContact O-N 3.06Å; R99-L101 HydrophobicContact CB-CD2 4.44Å; R99-V134 WeakPolarHBondContact CD-O 3.31Å; R99-V134 HydrophobicContact CG-CG1 3.67Å; R99-V134 WeakPolarHBondContact CG-O 3.04Å; R99-V134 PolarHBondContact NE-O 3.37Å; R99-R136 PolarHBondContact NH2-O 3.48Å
100T92.6Very high91.4Very high51 Ų5149 Ų4931%0.31326%0.26SS..EExtended strand (participates in β ladder)trans-104.6130.5156.7-51.20000108.2R88 M102R88-T100 HydrophobicContact CG-CG2 4.15Å; T100-M102 HydrophobicContact CG2-CG 4.04Å; T100-M102 HydrophobicContact CG2-SD 4.35Å
101L92.2Very high91.6Very high3 Ų349.1 Ų49.12%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-118.2130.3179.2-56.3172.2000107.7I87 V89 R99 L120 W132I87-L101 HydrophobicContact CB-CB 4.19Å; I87-L101 HydrophobicContact CG2-CD1 4.46Å; I87-L101 PolarHBondContact N-O 3.49Å; I87-L101 PolarHBondContact O-N 3.2Å; V89-L101 HydrophobicContact CG2-CD1 4.24Å; R99-L101 HydrophobicContact CB-CD2 4.44Å; L101-L120 HydrophobicContact CD1-CD2 4.05Å; L101-W132 HydrophobicContact CB-CD2 4.15Å; L101-W132 HydrophobicContact CB-CE3 3.86Å; L101-W132 HydrophobicContact CB-CH2 4.4Å; L101-W132 HydrophobicContact CB-CZ3 4Å; L101-W132 HydrophobicContact CD1-CB 3.88Å; L101-W132 HydrophobicContact CD1-CD2 4.1Å; L101-W132 HydrophobicContact CD1-CE3 4.38Å; L101-W132 HydrophobicContact CD1-CG 3.9Å; L101-W132 HydrophobicContact CD2-CE3 4.1Å; L101-W132 HydrophobicContact CG-CE3 4.33Å
102M91.4Very high91.7Very high137 Ų13747.5 Ų47.568%0.67525%0.253SS*.EExtended strand (participates in β ladder)trans-136.3147.7-172.7-62.6-177.475.100111.4T100 W132T100-M102 HydrophobicContact CG2-CG 4.04Å; T100-M102 HydrophobicContact CG2-SD 4.35Å; M102-W132 VanDerWaalsContact O-CH2 3.32Å; M102-W132 WeakPolarHBondContact O-CH2 3.43Å; M102-W132 WeakPolarHBondContact O-CZ3 3.33Å
103G88.1Confident91.9Very high36 Ų3649.1 Ų49.137%0.37126%0.259SS..  trans131.28.5168.300000116.2K130G103-K130 WeakPolarHBondContact O-CE 3.36Å; G103-K130 PolarHBondContact O-NZ 3.49Å
104H94.1Very high92.2Very high11 Ų1146.1 Ų46.15%0.05125%0.246CC..  trans-67.1157.3150.8-83.1-69.5000109.3S122 S124 D126 N128H104-S122 PolarHBondContact CD2-OG 2.97Å; H104-S122 PolarHBondContact NE2-O 3.33Å; H104-S122 PolarHBondContact NE2-OG 3.39Å; H104-S124 WeakPolarHBondContact ND1-CB 3.4Å; H104-D126 VanDerWaalsContact CA-OD2 3.25Å; H104-D126 WeakPolarHBondContact CA-OD2 3.38Å; H104-D126 IonicContact CE1-OD1 2.63Å; H104-D126 IonicContact CG-OD2 3.01Å; H104-D126 IonicContact ND1-OD1 3.71Å; H104-D126 PolarHBondContact ND1-OD1 3.1Å; H104-D126 IonicContact ND1-OD2 3.11Å; H104-D126 PolarHBondContact ND1-OD2 2.94Å; H104-N128 PolarHBondContact CE1-O 2.79Å
105K93.5Very high92.3Very high188 Ų18846.5 Ų46.582%0.81724%0.244SC*.SBendtrans-99.6-10.2-179-68.1-169.5171.7-1670114.1D126K105-D126 HydrophobicContact CB-CB 3.98Å; K105-D126 PolarHBondContact N-OD2 2.82Å
106A94.8Very high92Very high25 Ų2552.2 Ų52.221%0.20727%0.267CS..SBendtrans-151.6-176.2-176.800000110.3Q83 G85 V108 S124 V125 D126Q83-A106 CarbonylContact O-C 3.26Å; G85-A106 WeakPolarHBondContact CA-O 3.5Å; G85-A106 PolarHBondContact N-O 3.38Å; A106-V108 PolarHBondContact O-N 3.43Å; A106-S124 PolarHBondContact O-OG 2.82Å; A106-S124 VanDerWaalsContact O-OG 3.1Å; A106-V125 HydrophobicContact CB-CB 4.02Å; A106-V125 HydrophobicContact CB-CG1 4.41Å; A106-D126 HydrophobicContact CB-CB 4.24Å
107N94.6Very high91.3Very high39 Ų3947.1 Ų47.121%0.20925%0.252CS..  trans-43.3136.1-179.3-52.437.8000112.3E67 Q83 S124 V125E67-N107 VanDerWaalsContact CD-ND2 3.29Å; E67-N107 HydrophobicContact CG-CB 4.08Å; E67-N107 PolarHBondContact OE2-ND2 2.95Å; Q83-N107 WeakPolarHBondContact O-CA 3.5Å; Q83-N107 PolarHBondContact O-N 3.43Å; Q83-N107 VanDerWaalsContact O-N 3.12Å; Q83-N107 PolarHBondContact O-OD1 3.2Å; N107-S124 WeakPolarHBondContact O-CA 3.46Å; N107-S124 VanDerWaalsContact O-CB 3.29Å; N107-S124 WeakPolarHBondContact O-CB 3.23Å; N107-S124 PolarHBondContact O-OG 3.06Å; N107-V125 HydrophobicContact CB-CG2 3.94Å; N107-V125 PolarHBondContact O-N 3.25Å
108V96.8Very high90.9Very high0 Ų049.1 Ų49.10%026%0.263CS..EExtended strand (participates in β ladder)trans-89.6119.7169.5-171.80000107.9E67 C68 S82 I87 A106 L111 S123E67-V108 WeakPolarHBondContact CB-O 3.44Å; C68-V108 PolarHBondContact SG-O 2.98Å; S82-V108 PolarHBondContact O-N 3.41Å; I87-V108 HydrophobicContact CD1-CG1 4.04Å; I87-V108 HydrophobicContact CD1-CG2 4.17Å; I87-V108 HydrophobicContact CG1-CB 4.44Å; I87-V108 HydrophobicContact CG1-CG1 4.11Å; I87-V108 HydrophobicContact CG1-CG2 3.79Å; A106-V108 PolarHBondContact O-N 3.43Å; V108-L111 HydrophobicContact CG1-CD2 3.93Å; V108-S123 CarbonylContact C-O 3.57Å; V108-S123 WeakPolarHBondContact CA-O 3.24Å; V108-S123 VanDerWaalsContact CG1-O 3.3Å; V108-S123 WeakPolarHBondContact CG1-O 3.46Å
109T95.3Very high91Very high25 Ų2548.8 Ų48.815%0.15326%0.259CS..EExtended strand (participates in β ladder)trans-96.6-30.3-166.948.10000113.7C68 S123 V125 V150C68-T109 WeakPolarHBondContact CB-O 3.34Å; T109-S123 PolarHBondContact N-O 3.18Å; T109-S123 WeakPolarHBondContact OG1-CB 3.12Å; T109-S123 PolarHBondContact OG1-O 3.31Å; T109-S123 PolarHBondContact OG1-OG 3.45Å; T109-V125 HydrophobicContact CG2-CG2 3.75Å; T109-V150 WeakPolarHBondContact CB-O 3.18Å; T109-V150 PolarHBondContact OG1-O 3.27Å
110S95.2Very high91.1Very high22 Ų2245.9 Ų45.915%0.15425%0.248CC..EExtended strand (participates in β ladder)trans-155.8156.6-179.6-159.40000109.8S122 S123S110-S122 WeakPolarHBondContact O-CA 3.47Å; S110-S123 WeakPolarHBondContact CA-OG 3.17Å; S110-S123 WeakPolarHBondContact CB-OG 3.48Å; S110-S123 PolarHBondContact N-OG 3.49Å; S110-S123 VanDerWaalsContact N-OG 3.11Å; S110-S123 PolarHBondContact O-N 2.84Å; S110-S123 PolarHBondContact O-OG 3.15Å
111L96.3Very high91.3Very high2 Ų243.4 Ų43.41%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-126.4157.2177.6-65.5173.7000109Q70 A79 I87 V108 L120 A121Q70-L111 HydrophobicContact CB-CB 4.1Å; Q70-L111 VanDerWaalsContact CD-O 3.28Å; Q70-L111 PolarHBondContact NE2-O 2.9Å; Q70-L111 VanDerWaalsContact OE1-C 3.29Å; Q70-L111 PolarHBondContact OE1-O 2.99Å; A79-L111 HydrophobicContact CB-CD1 3.78Å; A79-L111 WeakPolarHBondContact O-CD1 3.34Å; I87-L111 HydrophobicContact CD1-CD2 4.12Å; I87-L111 HydrophobicContact CG2-CD2 4.29Å; V108-L111 HydrophobicContact CG1-CD2 3.93Å; L111-L120 HydrophobicContact CD2-CD2 4.26Å; L111-A121 CarbonylContact C-O 3.59Å; L111-A121 WeakPolarHBondContact CA-O 3.18Å
112G94.1Very high91.5Very high3 Ų343.3 Ų43.33%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-137.5127.6167.500000109.5Q70 L120 A121 F155Q70-G112 VanDerWaalsContact OE1-C 3.24Å; G112-L120 CarbonylContact O-C 3.57Å; G112-L120 WeakPolarHBondContact O-CA 3.25Å; G112-L120 WeakPolarHBondContact O-CD1 3.48Å; G112-A121 PolarHBondContact N-O 3.45Å; G112-A121 PolarHBondContact O-N 3.15Å; G112-F155 VanDerWaalsContact O-CE2 3.31Å; G112-F155 WeakPolarHBondContact O-CE2 3.23Å
113F93.8Very high91.7Very high33 Ų3336.8 Ų36.815%0.14520%0.2CC..EExtended strand (participates in β ladder)trans-83.8136.3159.5-80.5-90.9000109.9Q70 F71 Q77 A79 V89 L120 F155Q70-F113 HydrophobicContact CG-CD2 4.49Å; Q70-F113 WeakPolarHBondContact O-CE2 3.41Å; F71-F113 VanDerWaalsContact O-CD2 3.3Å; F71-F113 WeakPolarHBondContact O-CD2 3.29Å; Q77-F113 HydrophobicContact CB-CZ 4.39Å; A79-F113 HydrophobicContact CB-CE2 3.6Å; A79-F113 HydrophobicContact CB-CZ 3.62Å; V89-F113 HydrophobicContact CG1-CZ 4.45Å; F113-L120 HydrophobicContact CD1-CD1 4.04Å; F113-L120 HydrophobicContact CD2-CD1 3.85Å; F113-L120 HydrophobicContact CE1-CD1 4.02Å; F113-L120 HydrophobicContact CE2-CD1 3.82Å; F113-L120 HydrophobicContact CG-CD1 3.97Å; F113-L120 HydrophobicContact CZ-CD1 3.92Å; F113-F155 WeakPolarHBondContact O-CD2 3.21Å
114H92.8Very high92.1Very high31 Ų3135 Ų3514%0.14418%0.183CC..  trans-76.5132.9174.6174.3-87.7000110.8F116 G117 F119 F155 G159H114-F116 VanDerWaalsContact C-N 3.35Å; H114-F116 PolarHBondContact ND1-N 3.19Å; H114-F116 PolarHBondContact O-N 2.94Å; H114-G117 PolarHBondContact ND1-N 2.93Å; H114-G117 VanDerWaalsContact ND1-N 3.2Å; H114-F119 HydrophobicContact CB-CB 3.8Å; H114-F119 WeakPolarHBondContact CB-O 3.48Å; H114-F119 PolarHBondContact N-O 2.99Å; H114-F155 HydrophobicContact CB-CD1 4.17Å; H114-F155 HydrophobicContact CB-CE1 3.85Å; H114-F155 HydrophobicContact CB-CE2 4.32Å; H114-F155 HydrophobicContact CB-CZ 3.92Å; H114-F155 AromaticContact CD2-CD1 3.71Å; H114-F155 AromaticContact CD2-CE1 3.65Å; H114-G159 WeakPolarHBondContact NE2-CA 3.32Å; H114-G159 PolarHBondContact NE2-O 3.32Å; H114-G159 VanDerWaalsContact NE2-O 3.16Å
115P86.8Confident92.2Very high51 Ų5137.6 Ų37.633%0.33120%0.199SC..THydrogen-bonded Turntrans-63.8-31.3-167.722.1-33.7000115.1
116F81.3Confident92.2Very high135 Ų13529.6 Ų29.659%0.59217%0.165SC*.THydrogen-bonded Turntrans-114.916.4-173.7-52-63.5000115H114 P157H114-F116 VanDerWaalsContact C-N 3.35Å; H114-F116 PolarHBondContact ND1-N 3.19Å; H114-F116 PolarHBondContact O-N 2.94Å; F116-P157 WeakPolarHBondContact CE2-O 3.32Å; F116-P157 VanDerWaalsContact CZ-O 3.22Å; F116-P157 WeakPolarHBondContact CZ-O 3.17Å
117G72.9Confident92.3Very high28 Ų2830.7 Ų30.729%0.28917%0.169SC..SBendtrans-178.6166.5-176.500000114.8H114 F119H114-G117 PolarHBondContact ND1-N 2.93Å; H114-G117 VanDerWaalsContact ND1-N 3.2Å; G117-F119 PolarHBondContact O-N 3.17Å
118N82Confident92.3Very high83 Ų8329.7 Ų29.744%0.44416%0.164SC..SBendtrans-76.543.5-170.7-53.520.2000112.5V134N118-V134 HydrophobicContact CB-CB 4.34Å; N118-V134 WeakPolarHBondContact O-CG2 3.35Å; N118-V134 PolarHBondContact O-N 2.74Å
119F91.3Very high92.2Very high60 Ų6029.8 Ų29.826%0.26316%0.164SC..EExtended strand (participates in β ladder)trans-102.5138.1171-61.4-71.9000110.4H114 G117 L131 W132 D133 V140H114-F119 HydrophobicContact CB-CB 3.8Å; H114-F119 WeakPolarHBondContact CB-O 3.48Å; H114-F119 PolarHBondContact N-O 2.99Å; G117-F119 PolarHBondContact O-N 3.17Å; F119-L131 HydrophobicContact CB-CD1 4.08Å; F119-L131 HydrophobicContact CD1-CG 4.46Å; F119-W132 CarbonylContact C-O 3.56Å; F119-W132 WeakPolarHBondContact CA-O 3.37Å; F119-D133 HydrophobicContact CD1-CB 3.98Å; F119-D133 HydrophobicContact CE1-CB 3.86Å; F119-V140 HydrophobicContact CE1-CG2 4.47Å
120L94.1Very high92.2Very high0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-116.7133.1172-171.377.7000107.6A79 I87 V89 L101 L111 G112 F113 L131 W132A79-L120 HydrophobicContact CB-CD1 3.85Å; A79-L120 HydrophobicContact CB-CD2 4.04Å; I87-L120 HydrophobicContact CG2-CD2 3.86Å; V89-L120 HydrophobicContact CG2-CD2 4.23Å; L101-L120 HydrophobicContact CD1-CD2 4.05Å; L111-L120 HydrophobicContact CD2-CD2 4.26Å; G112-L120 CarbonylContact O-C 3.57Å; G112-L120 WeakPolarHBondContact O-CA 3.25Å; G112-L120 WeakPolarHBondContact O-CD1 3.48Å; F113-L120 HydrophobicContact CD1-CD1 4.04Å; F113-L120 HydrophobicContact CD2-CD1 3.85Å; F113-L120 HydrophobicContact CE1-CD1 4.02Å; F113-L120 HydrophobicContact CE2-CD1 3.82Å; F113-L120 HydrophobicContact CG-CD1 3.97Å; F113-L120 HydrophobicContact CZ-CD1 3.92Å; L120-L131 CarbonylContact O-C 3.56Å; L120-L131 WeakPolarHBondContact O-CA 3.47Å; L120-W132 PolarHBondContact N-O 2.78Å; L120-W132 PolarHBondContact O-N 3.47Å
121A95.6Very high92.2Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-99149.8162.900000110.4L111 G112 K130 L131 L153 F155 L162L111-A121 CarbonylContact C-O 3.59Å; L111-A121 WeakPolarHBondContact CA-O 3.18Å; G112-A121 PolarHBondContact N-O 3.45Å; G112-A121 PolarHBondContact O-N 3.15Å; A121-K130 CarbonylContact C-O 3.6Å; A121-K130 WeakPolarHBondContact CA-O 3.22Å; A121-L131 HydrophobicContact CB-CD1 4.37Å; A121-L153 HydrophobicContact CB-CD1 3.89Å; A121-F155 HydrophobicContact CB-CE2 3.48Å; A121-F155 VanDerWaalsContact CB-CE2 3.48Å; A121-F155 HydrophobicContact CB-CZ 3.56Å; A121-L162 HydrophobicContact CB-CD1 3.83Å; A121-L162 HydrophobicContact CB-CD2 3.97Å
122S96.6Very high92.1Very high0 Ų027.9 Ų27.90%015%0.152CC..EExtended strand (participates in β ladder)trans-141.8135.3174.662.90000111.8I87 H104 S110 I129 K130 W132I87-S122 WeakPolarHBondContact CD1-OG 3.5Å; H104-S122 PolarHBondContact CD2-OG 2.97Å; H104-S122 PolarHBondContact NE2-O 3.33Å; H104-S122 PolarHBondContact NE2-OG 3.39Å; S110-S122 WeakPolarHBondContact O-CA 3.47Å; S122-I129 CarbonylContact O-C 3.55Å; S122-I129 WeakPolarHBondContact O-CA 3.38Å; S122-K130 PolarHBondContact N-O 3.41Å; S122-K130 PolarHBondContact O-N 3.33Å; S122-W132 PolarHBondContact OG-NE1 3.2Å
123S96.1Very high92Very high0 Ų027.8 Ų27.80%015%0.15CC..EExtended strand (participates in β ladder)trans-102.3156.2173.2550000110.6V108 T109 S110 V150V108-S123 CarbonylContact C-O 3.57Å; V108-S123 WeakPolarHBondContact CA-O 3.24Å; V108-S123 VanDerWaalsContact CG1-O 3.3Å; V108-S123 WeakPolarHBondContact CG1-O 3.46Å; T109-S123 PolarHBondContact N-O 3.18Å; T109-S123 WeakPolarHBondContact OG1-CB 3.12Å; T109-S123 PolarHBondContact OG1-O 3.31Å; T109-S123 PolarHBondContact OG1-OG 3.45Å; S110-S123 WeakPolarHBondContact CA-OG 3.17Å; S110-S123 WeakPolarHBondContact CB-OG 3.48Å; S110-S123 PolarHBondContact N-OG 3.49Å; S110-S123 VanDerWaalsContact N-OG 3.11Å; S110-S123 PolarHBondContact O-N 2.84Å; S110-S123 PolarHBondContact O-OG 3.15Å; S123-V150 VanDerWaalsContact CB-CG1 3.49Å
124S96.6Very high91.5Very high0 Ų026.8 Ų26.80%015%0.147CC..EExtended strand (participates in β ladder)trans-145.7159.5-179.3-179.90000112.4H104 A106 N107 D126 T127 N128 V150H104-S124 WeakPolarHBondContact ND1-CB 3.4Å; A106-S124 PolarHBondContact O-OG 2.82Å; A106-S124 VanDerWaalsContact O-OG 3.1Å; N107-S124 WeakPolarHBondContact O-CA 3.46Å; N107-S124 VanDerWaalsContact O-CB 3.29Å; N107-S124 WeakPolarHBondContact O-CB 3.23Å; N107-S124 PolarHBondContact O-OG 3.06Å; S124-D126 PolarHBondContact O-N 2.88Å; S124-D126 PolarHBondContact OG-N 2.94Å; S124-T127 PolarHBondContact O-N 3.37Å; S124-N128 PolarHBondContact N-O 3.47Å; S124-V150 PolarHBondContact O-N 3.04Å
125V96.3Very high91.1Very high64 Ų6433.3 Ų33.339%0.38817%0.17SC..THydrogen-bonded Turntrans-59.2-17.7162179.40000111.5A106 N107 T109 T127 A149A106-V125 HydrophobicContact CB-CB 4.02Å; A106-V125 HydrophobicContact CB-CG1 4.41Å; N107-V125 HydrophobicContact CB-CG2 3.94Å; N107-V125 PolarHBondContact O-N 3.25Å; T109-V125 HydrophobicContact CG2-CG2 3.75Å; V125-T127 PolarHBondContact O-N 3.22Å; V125-A149 HydrophobicContact CB-CB 4.25Å; V125-A149 HydrophobicContact CG1-CB 4.28Å; V125-A149 HydrophobicContact CG2-CB 4.1Å
126D93.9Very high90.9Very high21 Ų2137.8 Ų37.811%0.11218%0.18CC..THydrogen-bonded Turntrans-71.79.3172.68512.1000115.4H104 K105 A106 S124 N128H104-D126 VanDerWaalsContact CA-OD2 3.25Å; H104-D126 WeakPolarHBondContact CA-OD2 3.38Å; H104-D126 IonicContact CE1-OD1 2.63Å; H104-D126 IonicContact CG-OD2 3.01Å; H104-D126 IonicContact ND1-OD1 3.71Å; H104-D126 PolarHBondContact ND1-OD1 3.1Å; H104-D126 IonicContact ND1-OD2 3.11Å; H104-D126 PolarHBondContact ND1-OD2 2.94Å; K105-D126 HydrophobicContact CB-CB 3.98Å; K105-D126 PolarHBondContact N-OD2 2.82Å; A106-D126 HydrophobicContact CB-CB 4.24Å; S124-D126 PolarHBondContact O-N 2.88Å; S124-D126 PolarHBondContact OG-N 2.94Å; D126-N128 VanDerWaalsContact CG-ND2 3.32Å; D126-N128 PolarHBondContact O-N 2.69Å; D126-N128 PolarHBondContact O-ND2 2.81Å; D126-N128 VanDerWaalsContact OD1-CB 3.24Å; D126-N128 WeakPolarHBondContact OD1-CB 3.45Å; D126-N128 PolarHBondContact OD1-N 3.29Å; D126-N128 PolarHBondContact OD1-ND2 2.94Å
127T95.1Very high90.8Very high47 Ų4740.7 Ų40.729%0.28819%0.193SC..SBendtrans62.6-3.2-178.391.40000116.3S124 V125 H146 E148S124-T127 PolarHBondContact O-N 3.37Å; V125-T127 PolarHBondContact O-N 3.22Å; T127-H146 PolarHBondContact OG1-O 2.85Å; T127-E148 WeakPolarHBondContact CB-O 3.38Å; T127-E148 WeakPolarHBondContact CG2-O 3.46Å
128N94.7Very high91.2Very high18 Ų1841.1 Ų41.110%0.09620%0.198CC..  trans-92.1155.4175.8-50.5-108.6000111.2H104 S124 D126 R142H104-N128 PolarHBondContact CE1-O 2.79Å; S124-N128 PolarHBondContact N-O 3.47Å; D126-N128 VanDerWaalsContact CG-ND2 3.32Å; D126-N128 PolarHBondContact O-N 2.69Å; D126-N128 PolarHBondContact O-ND2 2.81Å; D126-N128 VanDerWaalsContact OD1-CB 3.24Å; D126-N128 WeakPolarHBondContact OD1-CB 3.45Å; D126-N128 PolarHBondContact OD1-N 3.29Å; D126-N128 PolarHBondContact OD1-ND2 2.94Å; N128-R142 HydrophobicContact CB-CG 4.1Å; N128-R142 PolarHBondContact ND2-NH1 3.4Å; N128-R142 VanDerWaalsContact ND2-NH1 3.15Å; N128-R142 VanDerWaalsContact OD1-CD 3.31Å; N128-R142 WeakPolarHBondContact OD1-CD 3.09Å; N128-R142 PolarHBondContact OD1-NH1 3.24Å
129I96.3Very high91.5Very high2 Ų242 Ų421%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-114.9138.2164-57.2154.2000107.4S122 R142 Y143 V150 L153 L162 S164 W174S122-I129 CarbonylContact O-C 3.55Å; S122-I129 WeakPolarHBondContact O-CA 3.38Å; I129-R142 CarbonylContact O-C 3.34Å; I129-R142 WeakPolarHBondContact O-CA 3.47Å; I129-Y143 HydrophobicContact CB-CD2 4.33Å; I129-Y143 HydrophobicContact CG2-CD2 4.24Å; I129-Y143 PolarHBondContact N-O 3.22Å; I129-Y143 PolarHBondContact O-N 3.04Å; I129-V150 HydrophobicContact CD1-CG1 4.13Å; I129-V150 HydrophobicContact CD1-CG2 4.32Å; I129-V150 HydrophobicContact CG1-CB 4.43Å; I129-V150 HydrophobicContact CG1-CG1 4.05Å; I129-V150 HydrophobicContact CG1-CG2 4.14Å; I129-L153 HydrophobicContact CD1-CD2 4.06Å; I129-L153 HydrophobicContact CG1-CD2 4.13Å; I129-L153 HydrophobicContact CG2-CD1 3.99Å; I129-L153 HydrophobicContact CG2-CD2 3.94Å; I129-L162 HydrophobicContact CG2-CD2 3.72Å; I129-S164 VanDerWaalsContact CD1-OG 3.27Å; I129-S164 WeakPolarHBondContact CD1-OG 3.23Å; I129-W174 HydrophobicContact CD1-CZ2 4.18Å
130K95.5Very high91.5Very high0 Ų042.4 Ų42.40%020%0.203CC..EExtended strand (participates in β ladder)trans-122.2141.3-179.5-68.4-177.1178.8-136.60111.6G103 A121 S122 W132 Y139 F141G103-K130 WeakPolarHBondContact O-CE 3.36Å; G103-K130 PolarHBondContact O-NZ 3.49Å; A121-K130 CarbonylContact C-O 3.6Å; A121-K130 WeakPolarHBondContact CA-O 3.22Å; S122-K130 PolarHBondContact N-O 3.41Å; S122-K130 PolarHBondContact O-N 3.33Å; K130-W132 HydrophobicContact CB-CZ2 4.04Å; K130-W132 HydrophobicContact CD-CH2 3.9Å; K130-W132 HydrophobicContact CD-CZ2 3.43Å; K130-W132 VanDerWaalsContact CD-CZ2 3.43Å; K130-W132 HydrophobicContact CG-CZ2 4.43Å; K130-Y139 HydrophobicContact CD-CD1 4.1Å; K130-Y139 HydrophobicContact CD-CG 4.23Å; K130-F141 WeakPolarHBondContact CA-O 3.43Å
131L94.9Very high91.3Very high10 Ų1046.1 Ų46.15%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-107.2129.8170.2-169.471.5000109F119 L120 A121 Y139 V140 F141 Y143 F155 L176F119-L131 HydrophobicContact CB-CD1 4.08Å; F119-L131 HydrophobicContact CD1-CG 4.46Å; L120-L131 CarbonylContact O-C 3.56Å; L120-L131 WeakPolarHBondContact O-CA 3.47Å; A121-L131 HydrophobicContact CB-CD1 4.37Å; L131-Y139 CarbonylContact O-C 3.48Å; L131-Y139 WeakPolarHBondContact O-CB 3.46Å; L131-V140 PolarHBondContact O-N 3.47Å; L131-F141 HydrophobicContact CB-CB 4.2Å; L131-F141 PolarHBondContact N-O 3.31Å; L131-F141 PolarHBondContact O-N 2.86Å; L131-Y143 HydrophobicContact CB-CE2 4.2Å; L131-F155 HydrophobicContact CD1-CE1 4.31Å; L131-F155 HydrophobicContact CD1-CZ 3.87Å; L131-L176 HydrophobicContact CD1-CD2 4.12Å; L131-L176 HydrophobicContact CD2-CD2 4.08Å
132W94.3Very high91.2Very high0 Ų049 Ų490%023%0.23CC..EExtended strand (participates in β ladder)trans-121136.2-178.7-45.384.6000109.3I87 L101 M102 F119 L120 S122 K130 Y139I87-W132 HydrophobicContact CD1-CZ2 4.14Å; L101-W132 HydrophobicContact CB-CD2 4.15Å; L101-W132 HydrophobicContact CB-CE3 3.86Å; L101-W132 HydrophobicContact CB-CH2 4.4Å; L101-W132 HydrophobicContact CB-CZ3 4Å; L101-W132 HydrophobicContact CD1-CB 3.88Å; L101-W132 HydrophobicContact CD1-CD2 4.1Å; L101-W132 HydrophobicContact CD1-CE3 4.38Å; L101-W132 HydrophobicContact CD1-CG 3.9Å; L101-W132 HydrophobicContact CD2-CE3 4.1Å; L101-W132 HydrophobicContact CG-CE3 4.33Å; M102-W132 VanDerWaalsContact O-CH2 3.32Å; M102-W132 WeakPolarHBondContact O-CH2 3.43Å; M102-W132 WeakPolarHBondContact O-CZ3 3.33Å; F119-W132 CarbonylContact C-O 3.56Å; F119-W132 WeakPolarHBondContact CA-O 3.37Å; L120-W132 PolarHBondContact N-O 2.78Å; L120-W132 PolarHBondContact O-N 3.47Å; S122-W132 PolarHBondContact OG-NE1 3.2Å; K130-W132 HydrophobicContact CB-CZ2 4.04Å; K130-W132 HydrophobicContact CD-CH2 3.9Å; K130-W132 HydrophobicContact CD-CZ2 3.43Å; K130-W132 VanDerWaalsContact CD-CZ2 3.43Å; K130-W132 HydrophobicContact CG-CZ2 4.43Å; W132-Y139 HydrophobicContact CH2-CD1 4.41Å; W132-Y139 HydrophobicContact CZ3-CD1 4.31Å
133D90.9Very high91.1Very high1 Ų149.1 Ų49.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-90.4116.7162.7179.2-19.6000106.3F119 R135 R136 V140F119-D133 HydrophobicContact CD1-CB 3.98Å; F119-D133 HydrophobicContact CE1-CB 3.86Å; D133-R135 PolarHBondContact O-N 3.23Å; D133-R135 WeakPolarHBondContact OD1-CB 3.18Å; D133-R135 IonicContact OD1-CZ 2.81Å; D133-R135 PolarHBondContact OD1-N 2.85Å; D133-R135 IonicContact OD1-NE 2.66Å; D133-R135 PolarHBondContact OD1-NE 3.42Å; D133-R135 IonicContact OD1-NH2 3.97Å; D133-R135 PolarHBondContact OD1-NH2 3.16Å; D133-R135 IonicContact OD2-CZ 3.07Å; D133-R135 IonicContact OD2-NE 3.92Å; D133-R135 IonicContact OD2-NH2 2.79Å; D133-R135 PolarHBondContact OD2-NH2 2.91Å; D133-R136 HydrophobicContact CB-CB 4.16Å; D133-R136 HydrophobicContact CB-CG 3.81Å; D133-R136 PolarHBondContact O-N 2.67Å; D133-R136 IonicContact OD2-CZ 3.62Å; D133-R136 IonicContact OD2-NE 3.48Å; D133-R136 PolarHBondContact OD2-NE 3.07Å; D133-R136 IonicContact OD2-NH2 2.8Å; D133-V140 HydrophobicContact CB-CG2 3.68Å
134V84.5Confident90.9Very high11 Ų1156.3 Ų56.37%0.06726%0.262CS..THydrogen-bonded Turntrans-55.4-30.5-176.1176.80000110.9R99 N118 R136R99-V134 WeakPolarHBondContact CD-O 3.31Å; R99-V134 HydrophobicContact CG-CG1 3.67Å; R99-V134 WeakPolarHBondContact CG-O 3.04Å; R99-V134 PolarHBondContact NE-O 3.37Å; N118-V134 HydrophobicContact CB-CB 4.34Å; N118-V134 WeakPolarHBondContact O-CG2 3.35Å; N118-V134 PolarHBondContact O-N 2.74Å; V134-R136 VanDerWaalsContact C-N 3.3Å; V134-R136 PolarHBondContact O-N 3.43Å
135R82.7Confident90.6Very high168 Ų16858.1 Ų58.163%0.63428%0.28SS*.THydrogen-bonded Turntrans-76.4-12.9179.9-54.1164.8-62.6-177.55.3113.6D133D133-R135 PolarHBondContact O-N 3.23Å; D133-R135 WeakPolarHBondContact OD1-CB 3.18Å; D133-R135 IonicContact OD1-CZ 2.81Å; D133-R135 PolarHBondContact OD1-N 2.85Å; D133-R135 IonicContact OD1-NE 2.66Å; D133-R135 PolarHBondContact OD1-NE 3.42Å; D133-R135 IonicContact OD1-NH2 3.97Å; D133-R135 PolarHBondContact OD1-NH2 3.16Å; D133-R135 IonicContact OD2-CZ 3.07Å; D133-R135 IonicContact OD2-NE 3.92Å; D133-R135 IonicContact OD2-NH2 2.79Å; D133-R135 PolarHBondContact OD2-NH2 2.91Å
136R83.3Confident90.5Very high145 Ų14555.5 Ų55.555%0.54726%0.264SS..SBendtrans-103.1170-175.7-60-175.7-163.4-141.8-1.8111.9R99 D133 V134R99-R136 PolarHBondContact NH2-O 3.48Å; D133-R136 HydrophobicContact CB-CB 4.16Å; D133-R136 HydrophobicContact CB-CG 3.81Å; D133-R136 PolarHBondContact O-N 2.67Å; D133-R136 IonicContact OD2-CZ 3.62Å; D133-R136 IonicContact OD2-NE 3.48Å; D133-R136 PolarHBondContact OD2-NE 3.07Å; D133-R136 IonicContact OD2-NH2 2.8Å; V134-R136 VanDerWaalsContact C-N 3.3Å; V134-R136 PolarHBondContact O-N 3.43Å
137K78.8Confident90.6Very high196 Ų19659.5 Ų59.585%0.85229%0.289SS*.SBendtrans-99133.9165.2-67.4-176178.1-177.70108.5
138G82.2Confident90.7Very high38 Ų3862.4 Ų62.439%0.39230%0.299SS..SBendtrans84.4176.3-176.300000114.2
139Y88.9Confident90.7Very high101 Ų10162 Ų6240%0.39630%0.298SS..  trans-86.3146.2174.861.1-92.5000110.5K130 L131 W132 F141 R142K130-Y139 HydrophobicContact CD-CD1 4.1Å; K130-Y139 HydrophobicContact CD-CG 4.23Å; L131-Y139 CarbonylContact O-C 3.48Å; L131-Y139 WeakPolarHBondContact O-CB 3.46Å; W132-Y139 HydrophobicContact CH2-CD1 4.41Å; W132-Y139 HydrophobicContact CZ3-CD1 4.31Å; Y139-F141 WeakPolarHBondContact CD2-O 3.26Å; Y139-R142 HydrophobicContact CD2-CB 4.13Å; Y139-R142 HydrophobicContact CE2-CB 3.65Å; Y139-R142 PolarHBondContact OH-NE 3.21Å
140V90.1Very high90.7Very high68 Ų6861.9 Ų61.941%0.41230%0.298SS..SBendtrans-78-43.9174.6177.40000110.4F119 L131 D133F119-V140 HydrophobicContact CE1-CG2 4.47Å; L131-V140 PolarHBondContact O-N 3.47Å; D133-V140 HydrophobicContact CB-CG2 3.68Å
141F90.8Very high90.7Very high78 Ų7867.4 Ų67.434%0.34232%0.318SS..EExtended strand (participates in β ladder)trans-141.7155.1-178.7-152.7-95.6000112.4K130 L131 Y139 Y143 G179K130-F141 WeakPolarHBondContact CA-O 3.43Å; L131-F141 HydrophobicContact CB-CB 4.2Å; L131-F141 PolarHBondContact N-O 3.31Å; L131-F141 PolarHBondContact O-N 2.86Å; Y139-F141 WeakPolarHBondContact CD2-O 3.26Å; F141-Y143 HydrophobicContact CB-CE2 4.39Å; F141-Y143 AromaticContact CD1-CD1 3.76Å; F141-Y143 HydrophobicContact CD1-CD1 3.76Å; F141-Y143 HydrophobicContact CD1-CD2 4.07Å; F141-Y143 AromaticContact CD1-CE1 3.56Å; F141-Y143 HydrophobicContact CD1-CE1 3.56Å; F141-Y143 AromaticContact CD1-CE2 3.85Å; F141-Y143 HydrophobicContact CD1-CE2 3.85Å; F141-Y143 HydrophobicContact CD1-CG 4Å; F141-Y143 AromaticContact CD1-CZ 3.57Å; F141-Y143 AromaticContact CE1-CD1 3.78Å; F141-Y143 HydrophobicContact CE1-CD1 3.78Å; F141-Y143 AromaticContact CE1-CE1 3.79Å; F141-Y143 HydrophobicContact CE1-CE1 3.79Å; F141-Y143 HydrophobicContact CE1-CG 4.3Å; F141-G179 WeakPolarHBondContact CE1-O 3.37Å; F141-G179 VanDerWaalsContact CZ-CA 3.47Å; F141-G179 WeakPolarHBondContact CZ-O 3.48Å
142R93.2Very high90.7Very high60 Ų6067.8 Ų67.823%0.22632%0.322CS..EExtended strand (participates in β ladder)trans-131.2108.2174.2175.6-161.5-75.8-92.93108.2N128 I129 Y139 K144N128-R142 HydrophobicContact CB-CG 4.1Å; N128-R142 PolarHBondContact ND2-NH1 3.4Å; N128-R142 VanDerWaalsContact ND2-NH1 3.15Å; N128-R142 VanDerWaalsContact OD1-CD 3.31Å; N128-R142 WeakPolarHBondContact OD1-CD 3.09Å; N128-R142 PolarHBondContact OD1-NH1 3.24Å; I129-R142 CarbonylContact O-C 3.34Å; I129-R142 WeakPolarHBondContact O-CA 3.47Å; Y139-R142 HydrophobicContact CD2-CB 4.13Å; Y139-R142 HydrophobicContact CE2-CB 3.65Å; Y139-R142 PolarHBondContact OH-NE 3.21Å; R142-K144 HydrophobicContact CG-CG 4.4Å
143Y93.9Very high90.8Very high3 Ų368.2 Ų68.21%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-78.4135170.8-53.8-84.9000109.1I129 L131 F141 L162 W174I129-Y143 HydrophobicContact CB-CD2 4.33Å; I129-Y143 HydrophobicContact CG2-CD2 4.24Å; I129-Y143 PolarHBondContact N-O 3.22Å; I129-Y143 PolarHBondContact O-N 3.04Å; L131-Y143 HydrophobicContact CB-CE2 4.2Å; F141-Y143 HydrophobicContact CB-CE2 4.39Å; F141-Y143 AromaticContact CD1-CD1 3.76Å; F141-Y143 HydrophobicContact CD1-CD1 3.76Å; F141-Y143 HydrophobicContact CD1-CD2 4.07Å; F141-Y143 AromaticContact CD1-CE1 3.56Å; F141-Y143 HydrophobicContact CD1-CE1 3.56Å; F141-Y143 AromaticContact CD1-CE2 3.85Å; F141-Y143 HydrophobicContact CD1-CE2 3.85Å; F141-Y143 HydrophobicContact CD1-CG 4Å; F141-Y143 AromaticContact CD1-CZ 3.57Å; F141-Y143 AromaticContact CE1-CD1 3.78Å; F141-Y143 HydrophobicContact CE1-CD1 3.78Å; F141-Y143 AromaticContact CE1-CE1 3.79Å; F141-Y143 HydrophobicContact CE1-CE1 3.79Å; F141-Y143 HydrophobicContact CE1-CG 4.3Å; Y143-L162 HydrophobicContact CE2-CD2 4.39Å; Y143-W174 HydrophobicContact CD1-CB 3.99Å; Y143-W174 AromaticContact CD1-CD2 3.88Å; Y143-W174 HydrophobicContact CD1-CD2 3.88Å; Y143-W174 AromaticContact CD1-CE3 3.51Å; Y143-W174 HydrophobicContact CD1-CE3 3.51Å; Y143-W174 HydrophobicContact CD1-CG 4.11Å; Y143-W174 HydrophobicContact CD1-CZ3 4.25Å; Y143-W174 HydrophobicContact CE1-CB 3.99Å; Y143-W174 HydrophobicContact CE1-CE3 4.49Å; Y143-W174 HydrophobicContact CG-CD2 4.09Å; Y143-W174 AromaticContact CG-CE3 3.97Å; Y143-W174 HydrophobicContact CG-CE3 3.97Å; Y143-W174 HydrophobicContact CG-CG 4.38Å; Y143-W174 HydrophobicContact CG-CZ3 4.5Å
144K91.6Very high91Very high152 Ų15268.9 Ų68.966%0.66133%0.33SS*.  trans-126.5139.3175.2-67.8-173.3176.3-173.70108.1R142 W174R142-K144 HydrophobicContact CG-CG 4.4Å; K144-W174 WeakPolarHBondContact O-CH2 3.46Å
145G90Very high91.5Very high38 Ų3869.5 Ų69.539%0.39233%0.332SS..  trans154.5-15.9172.800000115.1K172G145-K172 WeakPolarHBondContact O-CE 3.26Å; G145-K172 PolarHBondContact O-NZ 3.47Å
146H95.3Very high92Very high9 Ų961.6 Ų61.64%0.04230%0.302CS..  trans-71.4147.7160.7-79-68.1000110.1T127 V150 S164 S166 D168 T170 K172T127-H146 PolarHBondContact OG1-O 2.85Å; H146-V150 HydrophobicContact CB-CG2 3.69Å; H146-V150 VanDerWaalsContact CD2-CG2 3.42Å; H146-V150 WeakPolarHBondContact CD2-CG2 3.46Å; H146-S164 PolarHBondContact NE2-OG 3.34Å; H146-S166 WeakPolarHBondContact CE1-CB 3.28Å; H146-S166 WeakPolarHBondContact ND1-CB 3.31Å; H146-S166 PolarHBondContact ND1-OG 2.91Å; H146-D168 VanDerWaalsContact CA-OD2 3.29Å; H146-D168 WeakPolarHBondContact CA-OD2 3.2Å; H146-D168 WeakPolarHBondContact CB-OD2 3.45Å; H146-D168 IonicContact CE1-OD1 3.81Å; H146-D168 IonicContact CG-OD2 2.84Å; H146-D168 IonicContact ND1-OD1 3.36Å; H146-D168 PolarHBondContact ND1-OD1 2.78Å; H146-D168 IonicContact ND1-OD2 3.17Å; H146-D168 PolarHBondContact ND1-OD2 3.45Å; H146-T170 PolarHBondContact CE1-OG1 3.38Å; H146-T170 PolarHBondContact ND1-OG1 3.34Å; H146-K172 VanDerWaalsContact ND1-CE 3.35Å; H146-K172 WeakPolarHBondContact ND1-CE 3.48Å
147T95.3Very high92.3Very high104 Ų10457.4 Ų57.464%0.63829%0.294SS*.SBendtrans-98.5-23.8179.651.60000112.4D168T147-D168 PolarHBondContact N-OD2 2.87Å; T147-D168 WeakPolarHBondContact OG1-CB 3.41Å
148E96.6Very high92.7Very high108 Ų10850.4 Ų50.451%0.50527%0.266SS..SBendtrans-122.3-173.8-179.6-64.8-60.7154.800111.7T127 V150 D167 D168T127-E148 WeakPolarHBondContact CB-O 3.38Å; T127-E148 WeakPolarHBondContact CG2-O 3.46Å; E148-V150 PolarHBondContact O-N 2.94Å; E148-D167 HydrophobicContact CB-CB 4.01Å; E148-D168 HydrophobicContact CB-CB 3.92Å; E148-D168 HydrophobicContact CG-CB 3.98Å
149A95.3Very high93Very high9 Ų948.9 Ų48.97%0.07425%0.25CC..  trans-62.2122.3178.800000112.1V125 S166 D167V125-A149 HydrophobicContact CB-CB 4.25Å; V125-A149 HydrophobicContact CG1-CB 4.28Å; V125-A149 HydrophobicContact CG2-CB 4.1Å; A149-S166 PolarHBondContact O-OG 3.4Å; A149-D167 PolarHBondContact O-N 3.03Å
150V96.6Very high93.1Very high0 Ų048.4 Ų48.40%025%0.25CC..EExtended strand (participates in β ladder)trans-76.3125.7174.3-179.50000108.3T109 S123 S124 I129 H146 E148 L153 A165T109-V150 WeakPolarHBondContact CB-O 3.18Å; T109-V150 PolarHBondContact OG1-O 3.27Å; S123-V150 VanDerWaalsContact CB-CG1 3.49Å; S124-V150 PolarHBondContact O-N 3.04Å; I129-V150 HydrophobicContact CD1-CG1 4.13Å; I129-V150 HydrophobicContact CD1-CG2 4.32Å; I129-V150 HydrophobicContact CG1-CB 4.43Å; I129-V150 HydrophobicContact CG1-CG1 4.05Å; I129-V150 HydrophobicContact CG1-CG2 4.14Å; H146-V150 HydrophobicContact CB-CG2 3.69Å; H146-V150 VanDerWaalsContact CD2-CG2 3.42Å; H146-V150 WeakPolarHBondContact CD2-CG2 3.46Å; E148-V150 PolarHBondContact O-N 2.94Å; V150-L153 HydrophobicContact CG1-CD2 4.28Å; V150-A165 CarbonylContact C-O 3.51Å; V150-A165 WeakPolarHBondContact CG1-O 3.34Å
151R94.8Very high93.3Very high116 Ų11647.1 Ų47.144%0.43824%0.237SC..EExtended strand (participates in β ladder)trans-96-36.2-171.4-62.7-53.8-61.2-156.74.2114.7A165 D167 V192R151-A165 PolarHBondContact N-O 3.32Å; R151-D167 WeakPolarHBondContact CD-OD1 3.42Å; R151-D167 WeakPolarHBondContact CD-OD2 3.36Å; R151-D167 WeakPolarHBondContact CG-OD1 3.16Å; R151-D167 IonicContact NH1-OD2 2.7Å; R151-V192 WeakPolarHBondContact CB-O 3.38Å
152S94.8Very high93.6Very high18 Ų1843.4 Ų43.413%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-146145.1-171.9177.70000111.1S164 A165 S193 V195S152-S164 WeakPolarHBondContact O-CA 3.41Å; S152-A165 PolarHBondContact N-O 2.62Å; S152-A165 PolarHBondContact O-N 3.08Å; S152-S193 WeakPolarHBondContact CB-O 3.35Å; S152-V195 PolarHBondContact OG-N 3.27Å
153L96.3Very high93.7Very high9 Ų940.5 Ų40.55%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-125.8142.7174.8-67.5-179.6000110.7A121 I129 V150 A163A121-L153 HydrophobicContact CB-CD1 3.89Å; I129-L153 HydrophobicContact CD1-CD2 4.06Å; I129-L153 HydrophobicContact CG1-CD2 4.13Å; I129-L153 HydrophobicContact CG2-CD1 3.99Å; I129-L153 HydrophobicContact CG2-CD2 3.94Å; V150-L153 HydrophobicContact CG1-CD2 4.28Å; L153-A163 WeakPolarHBondContact CA-O 3.21Å
154A95.3Very high93.9Very high15 Ų1540.4 Ų40.412%0.12421%0.21CC..EExtended strand (participates in β ladder)trans-134.3138.8165.700000110.1L162 A163 V195 F197A154-L162 WeakPolarHBondContact O-CD1 3.45Å; A154-A163 PolarHBondContact N-O 3.16Å; A154-A163 PolarHBondContact O-N 3.28Å; A154-V195 HydrophobicContact CB-CG1 4.34Å; A154-F197 HydrophobicContact CB-CD2 3.88Å; A154-F197 HydrophobicContact CB-CE2 4.13Å; A154-F197 WeakPolarHBondContact O-CE2 3.06Å
155F95.3Very high94.1Very high24 Ų2433.1 Ų33.111%0.10518%0.178CC..EExtended strand (participates in β ladder)trans-83.8145.5163-82-88.9000109.8G112 F113 H114 A121 L131 L162 L176 F197G112-F155 VanDerWaalsContact O-CE2 3.31Å; G112-F155 WeakPolarHBondContact O-CE2 3.23Å; F113-F155 WeakPolarHBondContact O-CD2 3.21Å; H114-F155 HydrophobicContact CB-CD1 4.17Å; H114-F155 HydrophobicContact CB-CE1 3.85Å; H114-F155 HydrophobicContact CB-CE2 4.32Å; H114-F155 HydrophobicContact CB-CZ 3.92Å; H114-F155 AromaticContact CD2-CD1 3.71Å; H114-F155 AromaticContact CD2-CE1 3.65Å; A121-F155 HydrophobicContact CB-CE2 3.48Å; A121-F155 VanDerWaalsContact CB-CE2 3.48Å; A121-F155 HydrophobicContact CB-CZ 3.56Å; L131-F155 HydrophobicContact CD1-CE1 4.31Å; L131-F155 HydrophobicContact CD1-CZ 3.87Å; F155-L162 HydrophobicContact CD1-CD1 4.13Å; F155-L162 HydrophobicContact CD2-CD1 3.91Å; F155-L162 HydrophobicContact CE1-CD1 4.07Å; F155-L162 HydrophobicContact CE2-CD1 3.83Å; F155-L162 HydrophobicContact CG-CD1 4.07Å; F155-L162 HydrophobicContact CZ-CD1 3.94Å; F155-L176 HydrophobicContact CD1-CD1 3.72Å; F155-L176 HydrophobicContact CE1-CD1 3.55Å; F155-L176 HydrophobicContact CE1-CD2 3.96Å; F155-L176 HydrophobicContact CE1-CG 4.44Å; F155-F197 VanDerWaalsContact O-CD2 3.25Å; F155-F197 WeakPolarHBondContact O-CD2 3.14Å
156S93.4Very high94.4Very high3 Ų331.3 Ų31.32%0.02116%0.16CC..  trans-61.4146.1164.947.40000110.9D158 G159 K160 W161S156-D158 WeakPolarHBondContact CB-OD1 3.42Å; S156-D158 PolarHBondContact O-N 3.27Å; S156-D158 PolarHBondContact OG-OD1 2.98Å; S156-G159 PolarHBondContact O-N 2.91Å; S156-G159 PolarHBondContact OG-N 2.95Å; S156-K160 PolarHBondContact OG-N 2.88Å; S156-W161 WeakPolarHBondContact CB-O 3.39Å; S156-W161 PolarHBondContact N-O 2.92Å; S156-W161 WeakPolarHBondContact OG-CA 3.39Å; S156-W161 PolarHBondContact OG-N 3.42Å; S156-W161 PolarHBondContact OG-O 3.48Å
157P89.3Confident94.4Very high57 Ų5733.6 Ų33.637%0.3717%0.172SC..THydrogen-bonded Turntrans-62.2-22.2176.7-21.832.6000113.4F116 F197 H198F116-P157 WeakPolarHBondContact CE2-O 3.32Å; F116-P157 VanDerWaalsContact CZ-O 3.22Å; F116-P157 WeakPolarHBondContact CZ-O 3.17Å; P157-F197 HydrophobicContact CG-CB 4.24Å; P157-H198 WeakPolarHBondContact CG-O 3.06Å
158D87.3Confident94.4Very high49 Ų4929.8 Ų29.826%0.26215%0.148SC..THydrogen-bonded Turntrans-89.6-4.9177.282.3-13.8000114.2S156 K160S156-D158 WeakPolarHBondContact CB-OD1 3.42Å; S156-D158 PolarHBondContact O-N 3.27Å; S156-D158 PolarHBondContact OG-OD1 2.98Å; D158-K160 VanDerWaalsContact C-N 3.28Å; D158-K160 PolarHBondContact O-N 2.93Å; D158-K160 WeakPolarHBondContact OD1-CB 3.28Å; D158-K160 PolarHBondContact OD1-N 3.44Å; D158-K160 WeakPolarHBondContact OD2-CD 3.37Å; D158-K160 WeakPolarHBondContact OD2-CE 3.2Å; D158-K160 WeakPolarHBondContact OD2-CG 3.49Å; D158-K160 IonicContact OD2-NZ 3.61Å; D158-K160 PolarHBondContact OD2-NZ 2.88Å
159G89.2Confident94.4Very high5 Ų526.4 Ų26.45%0.05214%0.136CC..SBendtrans69.711.8178.600000115.6H114 S156 L176H114-G159 WeakPolarHBondContact NE2-CA 3.32Å; H114-G159 PolarHBondContact NE2-O 3.32Å; H114-G159 VanDerWaalsContact NE2-O 3.16Å; S156-G159 PolarHBondContact O-N 2.91Å; S156-G159 PolarHBondContact OG-N 2.95Å; G159-L176 VanDerWaalsContact O-CD1 3.3Å; G159-L176 WeakPolarHBondContact O-CD1 3.21Å
160K90.9Very high94.4Very high91 Ų9126.6 Ų26.640%0.39614%0.136SC..SBendtrans-89.8-31.3179.1-58.5-167.3-153106.70113.5S156 D158 L176 F177S156-K160 PolarHBondContact OG-N 2.88Å; D158-K160 VanDerWaalsContact C-N 3.28Å; D158-K160 PolarHBondContact O-N 2.93Å; D158-K160 WeakPolarHBondContact OD1-CB 3.28Å; D158-K160 PolarHBondContact OD1-N 3.44Å; D158-K160 WeakPolarHBondContact OD2-CD 3.37Å; D158-K160 WeakPolarHBondContact OD2-CE 3.2Å; D158-K160 WeakPolarHBondContact OD2-CG 3.49Å; D158-K160 IonicContact OD2-NZ 3.61Å; D158-K160 PolarHBondContact OD2-NZ 2.88Å; K160-L176 WeakPolarHBondContact O-CB 3.47Å; K160-L176 PolarHBondContact O-N 3.28Å; K160-F177 HydrophobicContact CB-CE2 4.47Å; K160-F177 HydrophobicContact CG-CE2 4.29Å
161W94.2Very high94.4Very high41 Ų4126.6 Ų26.616%0.15514%0.136CC..EExtended strand (participates in β ladder)trans-121.3152.2-174.7-53.6-30.6000113.2S156 L173 W174 I182 F197 Y202 L218 F221S156-W161 WeakPolarHBondContact CB-O 3.39Å; S156-W161 PolarHBondContact N-O 2.92Å; S156-W161 WeakPolarHBondContact OG-CA 3.39Å; S156-W161 PolarHBondContact OG-N 3.42Å; S156-W161 PolarHBondContact OG-O 3.48Å; W161-L173 HydrophobicContact CB-CD1 3.96Å; W161-L173 HydrophobicContact CB-CG 4.36Å; W161-L173 HydrophobicContact CD2-CD2 4.17Å; W161-L173 HydrophobicContact CE3-CD1 4.43Å; W161-L173 HydrophobicContact CE3-CD2 4.09Å; W161-L173 HydrophobicContact CG-CD1 4.48Å; W161-L173 HydrophobicContact CZ3-CD2 4.48Å; W161-W174 VanDerWaalsContact CA-O 3.27Å; W161-W174 WeakPolarHBondContact CA-O 3.48Å; W161-I182 HydrophobicContact CD2-CD1 4.26Å; W161-I182 HydrophobicContact CG-CD1 3.92Å; W161-I182 VanDerWaalsContact NE1-CD1 3.28Å; W161-F197 HydrophobicContact CB-CZ 4.37Å; W161-F197 HydrophobicContact CE3-CE1 4.32Å; W161-Y202 HydrophobicContact CH2-CD1 4.12Å; W161-Y202 HydrophobicContact CH2-CE1 4.2Å; W161-Y202 AromaticContact CZ3-CD1 3.86Å; W161-Y202 HydrophobicContact CZ3-CD1 3.86Å; W161-Y202 HydrophobicContact CZ3-CE1 4.15Å; W161-L218 HydrophobicContact CE3-CD1 4.25Å; W161-L218 HydrophobicContact CH2-CB 4.34Å; W161-L218 HydrophobicContact CZ3-CB 3.75Å; W161-L218 HydrophobicContact CZ3-CD1 3.98Å; W161-L218 HydrophobicContact CZ3-CG 4.47Å; W161-F221 HydrophobicContact CH2-CE1 4.49Å; W161-F221 HydrophobicContact CH2-CZ 4.5Å
162L95.9Very high94.5Very high0 Ų021.7 Ų21.70%012%0.118CC..EExtended strand (participates in β ladder)trans-119.1131.7168.9-178.973.3000107.8A121 I129 Y143 A154 F155 W174 L176A121-L162 HydrophobicContact CB-CD1 3.83Å; A121-L162 HydrophobicContact CB-CD2 3.97Å; I129-L162 HydrophobicContact CG2-CD2 3.72Å; Y143-L162 HydrophobicContact CE2-CD2 4.39Å; A154-L162 WeakPolarHBondContact O-CD1 3.45Å; F155-L162 HydrophobicContact CD1-CD1 4.13Å; F155-L162 HydrophobicContact CD2-CD1 3.91Å; F155-L162 HydrophobicContact CE1-CD1 4.07Å; F155-L162 HydrophobicContact CE2-CD1 3.83Å; F155-L162 HydrophobicContact CG-CD1 4.07Å; F155-L162 HydrophobicContact CZ-CD1 3.94Å; L162-W174 HydrophobicContact CB-CB 4.42Å; L162-W174 PolarHBondContact N-O 3.04Å; L162-W174 PolarHBondContact O-N 3.31Å; L162-L176 HydrophobicContact CB-CD2 3.98Å; L162-L176 HydrophobicContact CB-CG 4.34Å
163A96.8Very high94.6Very high0 Ų020.8 Ų20.80%011%0.112CC..EExtended strand (participates in β ladder)trans-105.8144.3170.900000110.1L153 A154 K172 L173 V195 F197 L204L153-A163 WeakPolarHBondContact CA-O 3.21Å; A154-A163 PolarHBondContact N-O 3.16Å; A154-A163 PolarHBondContact O-N 3.28Å; A163-K172 WeakPolarHBondContact CA-O 3.37Å; A163-L173 HydrophobicContact CB-CD1 4.18Å; A163-V195 HydrophobicContact CB-CG2 3.8Å; A163-F197 HydrophobicContact CB-CD2 4.47Å; A163-F197 HydrophobicContact CB-CE2 3.47Å; A163-F197 VanDerWaalsContact CB-CE2 3.47Å; A163-F197 HydrophobicContact CB-CZ 3.65Å; A163-L204 HydrophobicContact CB-CD1 3.77Å; A163-L204 HydrophobicContact CB-CD2 4.08Å
164S96.9Very high94.6Very high0 Ų020.6 Ų20.60%011%0.11CC..EExtended strand (participates in β ladder)trans-136.9134.4178.760.20000112.5I129 H146 S152 V171 K172 W174I129-S164 VanDerWaalsContact CD1-OG 3.27Å; I129-S164 WeakPolarHBondContact CD1-OG 3.23Å; H146-S164 PolarHBondContact NE2-OG 3.34Å; S152-S164 WeakPolarHBondContact O-CA 3.41Å; S164-V171 CarbonylContact O-C 3.49Å; S164-V171 VanDerWaalsContact O-CA 3.27Å; S164-V171 WeakPolarHBondContact O-CA 3.16Å; S164-V171 WeakPolarHBondContact O-CG1 3.34Å; S164-K172 PolarHBondContact N-O 3.18Å; S164-K172 PolarHBondContact O-N 3.49Å; S164-K172 PolarHBondContact OG-O 2.7Å; S164-W174 PolarHBondContact OG-NE1 2.87Å
165A96.3Very high94.5Very high0 Ų020.8 Ų20.80%011%0.109CC..EExtended strand (participates in β ladder)trans-108.7143.4175.500000110.3V150 R151 S152 V171 V192 V195V150-A165 CarbonylContact C-O 3.51Å; V150-A165 WeakPolarHBondContact CG1-O 3.34Å; R151-A165 PolarHBondContact N-O 3.32Å; S152-A165 PolarHBondContact N-O 2.62Å; S152-A165 PolarHBondContact O-N 3.08Å; A165-V171 HydrophobicContact CB-CG2 4.42Å; A165-V192 HydrophobicContact CB-CB 3.73Å; A165-V192 HydrophobicContact CB-CG1 3.52Å; A165-V195 HydrophobicContact CB-CB 3.94Å; A165-V195 HydrophobicContact CB-CG1 3.93Å
166S96.7Very high94.2Very high0 Ų021 Ų210%011%0.111CC..EExtended strand (participates in β ladder)trans-140.9158-168.9-179.30000113.3H146 A149 D168 C169 T170 V192H146-S166 WeakPolarHBondContact CE1-CB 3.28Å; H146-S166 WeakPolarHBondContact ND1-CB 3.31Å; H146-S166 PolarHBondContact ND1-OG 2.91Å; A149-S166 PolarHBondContact O-OG 3.4Å; S166-D168 VanDerWaalsContact CB-OD1 3.32Å; S166-D168 WeakPolarHBondContact CB-OD1 3.4Å; S166-D168 WeakPolarHBondContact CB-OD2 3.18Å; S166-D168 PolarHBondContact O-N 3.23Å; S166-D168 PolarHBondContact OG-N 3.46Å; S166-D168 PolarHBondContact OG-OD1 3.48Å; S166-D168 PolarHBondContact OG-OD2 2.71Å; S166-C169 PolarHBondContact O-N 2.9Å; S166-T170 PolarHBondContact N-O 2.9Å; S166-V192 PolarHBondContact O-N 2.83Å
167D96.2Very high93.7Very high56 Ų5628.9 Ų28.930%0.29915%0.146SC..THydrogen-bonded Turntrans-63.8-18.3170.6-71.4-22.7000112E148 A149 R151 C169 A191E148-D167 HydrophobicContact CB-CB 4.01Å; A149-D167 PolarHBondContact O-N 3.03Å; R151-D167 WeakPolarHBondContact CD-OD1 3.42Å; R151-D167 WeakPolarHBondContact CD-OD2 3.36Å; R151-D167 WeakPolarHBondContact CG-OD1 3.16Å; R151-D167 IonicContact NH1-OD2 2.7Å; D167-C169 PolarHBondContact O-N 3Å; D167-A191 HydrophobicContact CB-CB 4.29Å; D167-A191 VanDerWaalsContact OD1-CB 3.31Å; D167-A191 WeakPolarHBondContact OD1-CB 3.38Å
168D95.3Very high93.4Very high25 Ų2532.1 Ų32.113%0.13416%0.156CC..THydrogen-bonded Turntrans-71.912.2172.762.942.4000114.8H146 T147 E148 S166 T170H146-D168 VanDerWaalsContact CA-OD2 3.29Å; H146-D168 WeakPolarHBondContact CA-OD2 3.2Å; H146-D168 WeakPolarHBondContact CB-OD2 3.45Å; H146-D168 IonicContact CE1-OD1 3.81Å; H146-D168 IonicContact CG-OD2 2.84Å; H146-D168 IonicContact ND1-OD1 3.36Å; H146-D168 PolarHBondContact ND1-OD1 2.78Å; H146-D168 IonicContact ND1-OD2 3.17Å; H146-D168 PolarHBondContact ND1-OD2 3.45Å; T147-D168 PolarHBondContact N-OD2 2.87Å; T147-D168 WeakPolarHBondContact OG1-CB 3.41Å; E148-D168 HydrophobicContact CB-CB 3.92Å; E148-D168 HydrophobicContact CG-CB 3.98Å; S166-D168 VanDerWaalsContact CB-OD1 3.32Å; S166-D168 WeakPolarHBondContact CB-OD1 3.4Å; S166-D168 WeakPolarHBondContact CB-OD2 3.18Å; S166-D168 PolarHBondContact O-N 3.23Å; S166-D168 PolarHBondContact OG-N 3.46Å; S166-D168 PolarHBondContact OG-OD1 3.48Å; S166-D168 PolarHBondContact OG-OD2 2.71Å; D168-T170 PolarHBondContact O-N 3.17Å; D168-T170 VanDerWaalsContact O-N 3.11Å; D168-T170 WeakPolarHBondContact OD1-CB 3.44Å; D168-T170 PolarHBondContact OD1-N 3.17Å; D168-T170 VanDerWaalsContact OD1-N 3.12Å; D168-T170 PolarHBondContact OD1-OG1 3.36Å
169C95.7Very high93.3Very high37 Ų3730.4 Ų30.425%0.2515%0.15CC..SBendtrans63.410178.8-500000114.4S166 D167 A190S166-C169 PolarHBondContact O-N 2.9Å; D167-C169 PolarHBondContact O-N 3Å; C169-A190 WeakPolarHBondContact SG-CA 3.33Å
170T95.9Very high93.2Very high12 Ų1236.5 Ų36.57%0.07418%0.175CC..  trans-107.2153.4176.8780000112.9H146 S166 D168 K172 E184 F185 K186H146-T170 PolarHBondContact CE1-OG1 3.38Å; H146-T170 PolarHBondContact ND1-OG1 3.34Å; S166-T170 PolarHBondContact N-O 2.9Å; D168-T170 PolarHBondContact O-N 3.17Å; D168-T170 VanDerWaalsContact O-N 3.11Å; D168-T170 WeakPolarHBondContact OD1-CB 3.44Å; D168-T170 PolarHBondContact OD1-N 3.17Å; D168-T170 VanDerWaalsContact OD1-N 3.12Å; D168-T170 PolarHBondContact OD1-OG1 3.36Å; T170-K172 WeakPolarHBondContact OG1-CE 3.05Å; T170-E184 HydrophobicContact CG2-CG 4.45Å; T170-F185 WeakPolarHBondContact CA-O 3.3Å; T170-K186 HydrophobicContact CG2-CG 3.95Å
171V96.9Very high93.3Very high0 Ų035.2 Ų35.20%018%0.175CC..EExtended strand (participates in β ladder)trans-111.1133.4161.9-178.10000108.3S164 A165 F185 V192 V195 L204S164-V171 CarbonylContact O-C 3.49Å; S164-V171 VanDerWaalsContact O-CA 3.27Å; S164-V171 WeakPolarHBondContact O-CA 3.16Å; S164-V171 WeakPolarHBondContact O-CG1 3.34Å; A165-V171 HydrophobicContact CB-CG2 4.42Å; V171-F185 HydrophobicContact CB-CB 4.18Å; V171-F185 HydrophobicContact CB-CD2 4.12Å; V171-F185 HydrophobicContact CG1-CD2 4.13Å; V171-F185 PolarHBondContact N-O 3.22Å; V171-F185 VanDerWaalsContact N-O 3.14Å; V171-F185 WeakPolarHBondContact O-CB 3.49Å; V171-F185 PolarHBondContact O-N 2.77Å; V171-V192 HydrophobicContact CG2-CB 4.33Å; V171-V192 HydrophobicContact CG2-CG1 3.78Å; V171-V192 HydrophobicContact CG2-CG2 4.16Å; V171-V195 HydrophobicContact CG1-CG2 4.03Å; V171-L204 HydrophobicContact CG1-CD2 3.94Å
172K96.3Very high93.3Very high13 Ų1336 Ų366%0.05718%0.182CC..EExtended strand (participates in β ladder)trans-119.6136.6179.4-64.7179.2-163.7-124.60110.4G145 H146 A163 S164 T170 W174 T181 E184G145-K172 WeakPolarHBondContact O-CE 3.26Å; G145-K172 PolarHBondContact O-NZ 3.47Å; H146-K172 VanDerWaalsContact ND1-CE 3.35Å; H146-K172 WeakPolarHBondContact ND1-CE 3.48Å; A163-K172 WeakPolarHBondContact CA-O 3.37Å; S164-K172 PolarHBondContact N-O 3.18Å; S164-K172 PolarHBondContact O-N 3.49Å; S164-K172 PolarHBondContact OG-O 2.7Å; T170-K172 WeakPolarHBondContact OG1-CE 3.05Å; K172-W174 HydrophobicContact CB-CZ2 3.82Å; K172-W174 HydrophobicContact CD-CH2 4.27Å; K172-W174 HydrophobicContact CD-CZ2 3.84Å; K172-W174 HydrophobicContact CG-CZ2 4.43Å; K172-T181 HydrophobicContact CB-CG2 4.27Å; K172-E184 HydrophobicContact CD-CG 4.44Å; K172-E184 WeakPolarHBondContact CE-OE1 3.29Å; K172-E184 HydrophobicContact CG-CB 4.34Å; K172-E184 HydrophobicContact CG-CG 4.06Å; K172-E184 IonicContact NZ-OE1 2.81Å; K172-E184 PolarHBondContact NZ-OE1 3.1Å
173L96.6Very high93.2Very high0 Ų037.6 Ų37.60%019%0.191CC..EExtended strand (participates in β ladder)trans-104131.3174.3-168.373.3000108.8W161 A163 T181 I182 T183 F185 F197 L218 F221W161-L173 HydrophobicContact CB-CD1 3.96Å; W161-L173 HydrophobicContact CB-CG 4.36Å; W161-L173 HydrophobicContact CD2-CD2 4.17Å; W161-L173 HydrophobicContact CE3-CD1 4.43Å; W161-L173 HydrophobicContact CE3-CD2 4.09Å; W161-L173 HydrophobicContact CG-CD1 4.48Å; W161-L173 HydrophobicContact CZ3-CD2 4.48Å; A163-L173 HydrophobicContact CB-CD1 4.18Å; L173-T181 CarbonylContact O-C 3.57Å; L173-T181 WeakPolarHBondContact O-CA 3.4Å; L173-T181 WeakPolarHBondContact O-CG2 3.48Å; L173-I182 HydrophobicContact CB-CB 4.47Å; L173-I182 HydrophobicContact CD2-CB 4.24Å; L173-I182 HydrophobicContact CD2-CD1 4.06Å; L173-I182 HydrophobicContact CD2-CG2 4.34Å; L173-I182 HydrophobicContact CG-CB 4.47Å; L173-I182 HydrophobicContact CG-CD1 4.2Å; L173-I182 PolarHBondContact O-N 3.35Å; L173-T183 PolarHBondContact N-O 2.9Å; L173-F185 HydrophobicContact CB-CE2 4.31Å; L173-F197 HydrophobicContact CD1-CE1 4.05Å; L173-F197 HydrophobicContact CD1-CZ 3.7Å; L173-L218 HydrophobicContact CD2-CD2 4.2Å; L173-F221 HydrophobicContact CD2-CD1 4.13Å; L173-F221 HydrophobicContact CD2-CE1 3.63Å
174W95.6Very high93.1Very high4 Ų441.5 Ų41.52%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-123136.3-175-49.288000111.2I129 Y143 K144 W161 L162 S164 K172 K180 T181I129-W174 HydrophobicContact CD1-CZ2 4.18Å; Y143-W174 HydrophobicContact CD1-CB 3.99Å; Y143-W174 AromaticContact CD1-CD2 3.88Å; Y143-W174 HydrophobicContact CD1-CD2 3.88Å; Y143-W174 AromaticContact CD1-CE3 3.51Å; Y143-W174 HydrophobicContact CD1-CE3 3.51Å; Y143-W174 HydrophobicContact CD1-CG 4.11Å; Y143-W174 HydrophobicContact CD1-CZ3 4.25Å; Y143-W174 HydrophobicContact CE1-CB 3.99Å; Y143-W174 HydrophobicContact CE1-CE3 4.49Å; Y143-W174 HydrophobicContact CG-CD2 4.09Å; Y143-W174 AromaticContact CG-CE3 3.97Å; Y143-W174 HydrophobicContact CG-CE3 3.97Å; Y143-W174 HydrophobicContact CG-CG 4.38Å; Y143-W174 HydrophobicContact CG-CZ3 4.5Å; K144-W174 WeakPolarHBondContact O-CH2 3.46Å; W161-W174 VanDerWaalsContact CA-O 3.27Å; W161-W174 WeakPolarHBondContact CA-O 3.48Å; L162-W174 HydrophobicContact CB-CB 4.42Å; L162-W174 PolarHBondContact N-O 3.04Å; L162-W174 PolarHBondContact O-N 3.31Å; S164-W174 PolarHBondContact OG-NE1 2.87Å; K172-W174 HydrophobicContact CB-CZ2 3.82Å; K172-W174 HydrophobicContact CD-CH2 4.27Å; K172-W174 HydrophobicContact CD-CZ2 3.84Å; K172-W174 HydrophobicContact CG-CZ2 4.43Å; W174-K180 WeakPolarHBondContact CA-O 3.38Å; W174-T181 HydrophobicContact CE3-CG2 4.22Å; W174-T181 HydrophobicContact CZ3-CG2 4.23Å; W174-T181 WeakPolarHBondContact CZ3-OG1 3.39Å
175D92.9Very high92.9Very high20 Ų2041.9 Ų41.911%0.10721%0.211CC..EExtended strand (participates in β ladder)trans-80.5121.5171-170.4-42.6000109.8F177 Q178 G179 K180 I182D175-F177 WeakPolarHBondContact OD1-CA 3.5Å; D175-F177 WeakPolarHBondContact OD1-CB 3.42Å; D175-F177 PolarHBondContact OD1-N 3.33Å; D175-Q178 HydrophobicContact CB-CB 4Å; D175-Q178 PolarHBondContact OD1-N 3.17Å; D175-Q178 WeakPolarHBondContact OD2-CG 3.41Å; D175-Q178 PolarHBondContact OD2-NE2 3.47Å; D175-G179 WeakPolarHBondContact O-CA 3.37Å; D175-G179 PolarHBondContact O-N 2.82Å; D175-K180 PolarHBondContact N-O 2.8Å; D175-I182 HydrophobicContact CB-CD1 3.91Å; D175-I182 HydrophobicContact CB-CG1 3.86Å
176L89Confident92.7Very high27 Ų2748.6 Ų48.614%0.14124%0.24CC..THydrogen-bonded Turntrans-74.7-25.6-179.5-68.4166.6000113.1L131 F155 G159 K160 L162L131-L176 HydrophobicContact CD1-CD2 4.12Å; L131-L176 HydrophobicContact CD2-CD2 4.08Å; F155-L176 HydrophobicContact CD1-CD1 3.72Å; F155-L176 HydrophobicContact CE1-CD1 3.55Å; F155-L176 HydrophobicContact CE1-CD2 3.96Å; F155-L176 HydrophobicContact CE1-CG 4.44Å; G159-L176 VanDerWaalsContact O-CD1 3.3Å; G159-L176 WeakPolarHBondContact O-CD1 3.21Å; K160-L176 WeakPolarHBondContact O-CB 3.47Å; K160-L176 PolarHBondContact O-N 3.28Å; L162-L176 HydrophobicContact CB-CD2 3.98Å; L162-L176 HydrophobicContact CB-CG 4.34Å
177F84Confident92.4Very high170 Ų17050.4 Ų50.475%0.74625%0.253SS*.THydrogen-bonded Turntrans-86.8-42.8178.4-68.9-91.4000112K160 D175K160-F177 HydrophobicContact CB-CE2 4.47Å; K160-F177 HydrophobicContact CG-CE2 4.29Å; D175-F177 WeakPolarHBondContact OD1-CA 3.5Å; D175-F177 WeakPolarHBondContact OD1-CB 3.42Å; D175-F177 PolarHBondContact OD1-N 3.33Å
178Q83.8Confident92.2Very high124 Ų12448.5 Ų48.558%0.57924%0.242SC*.THydrogen-bonded Turntrans-85.4-17.8-179.2-64.8-171.877.900114D175 K180D175-Q178 HydrophobicContact CB-CB 4Å; D175-Q178 PolarHBondContact OD1-N 3.17Å; D175-Q178 WeakPolarHBondContact OD2-CG 3.41Å; D175-Q178 PolarHBondContact OD2-NE2 3.47Å; Q178-K180 VanDerWaalsContact C-N 3.34Å; Q178-K180 PolarHBondContact O-N 3.39Å
179G83.4Confident92.1Very high14 Ų1452.1 Ų52.114%0.14427%0.27CS..THydrogen-bonded Turntrans70.826.4-179.400000114F141 D175F141-G179 WeakPolarHBondContact CE1-O 3.37Å; F141-G179 VanDerWaalsContact CZ-CA 3.47Å; F141-G179 WeakPolarHBondContact CZ-O 3.48Å; D175-G179 WeakPolarHBondContact O-CA 3.37Å; D175-G179 PolarHBondContact O-N 2.82Å
180K88.5Confident92Very high132 Ų13251.7 Ų51.757%0.57427%0.269SS*.EExtended strand (participates in β ladder)trans-128.7154.5-171-70174.8-174.9172.60111.9W174 D175 Q178W174-K180 WeakPolarHBondContact CA-O 3.38Å; D175-K180 PolarHBondContact N-O 2.8Å; Q178-K180 VanDerWaalsContact C-N 3.34Å; Q178-K180 PolarHBondContact O-N 3.39Å
181T92.9Very high91.9Very high65 Ų6552.4 Ų52.440%0.39928%0.276SS..EExtended strand (participates in β ladder)trans-63.8133163.4-28.70000109.1K172 L173 W174 T183K172-T181 HydrophobicContact CB-CG2 4.27Å; L173-T181 CarbonylContact O-C 3.57Å; L173-T181 WeakPolarHBondContact O-CA 3.4Å; L173-T181 WeakPolarHBondContact O-CG2 3.48Å; W174-T181 HydrophobicContact CE3-CG2 4.22Å; W174-T181 HydrophobicContact CZ3-CG2 4.23Å; W174-T181 WeakPolarHBondContact CZ3-OG1 3.39Å; T181-T183 WeakPolarHBondContact CG2-O 3.46Å
182I93.3Very high91.8Very high58 Ų5852.4 Ų52.430%0.29728%0.276SS..EExtended strand (participates in β ladder)trans-86.8-55.2170.2-58.6171.8000108.1W161 L173 D175 F221W161-I182 HydrophobicContact CD2-CD1 4.26Å; W161-I182 HydrophobicContact CG-CD1 3.92Å; W161-I182 VanDerWaalsContact NE1-CD1 3.28Å; L173-I182 HydrophobicContact CB-CB 4.47Å; L173-I182 HydrophobicContact CD2-CB 4.24Å; L173-I182 HydrophobicContact CD2-CD1 4.06Å; L173-I182 HydrophobicContact CD2-CG2 4.34Å; L173-I182 HydrophobicContact CG-CB 4.47Å; L173-I182 HydrophobicContact CG-CD1 4.2Å; L173-I182 PolarHBondContact O-N 3.35Å; D175-I182 HydrophobicContact CB-CD1 3.91Å; D175-I182 HydrophobicContact CB-CG1 3.86Å; I182-F221 HydrophobicContact CG2-CE1 3.86Å; I182-F221 HydrophobicContact CG2-CE2 4.38Å; I182-F221 HydrophobicContact CG2-CZ 3.77Å
183T93.5Very high91.7Very high33 Ų3353.4 Ų53.420%0.20229%0.285CS..EExtended strand (participates in β ladder)trans-144.6159.117950.50000112.7L173 T181 F185 F221L173-T183 PolarHBondContact N-O 2.9Å; T181-T183 WeakPolarHBondContact CG2-O 3.46Å; T183-F185 WeakPolarHBondContact OG1-CZ 3.42Å; T183-F221 HydrophobicContact CG2-CB 3.61Å; T183-F221 HydrophobicContact CG2-CD1 3.85Å; T183-F221 HydrophobicContact CG2-CD2 4.12Å; T183-F221 HydrophobicContact CG2-CG 3.57Å
184E94.8Very high91.5Very high81 Ų8153.8 Ų53.838%0.37929%0.287SS..EExtended strand (participates in β ladder)trans-126.1115.2175.8179.7-176.8-15600108.5T170 K172 K186T170-E184 HydrophobicContact CG2-CG 4.45Å; K172-E184 HydrophobicContact CD-CG 4.44Å; K172-E184 WeakPolarHBondContact CE-OE1 3.29Å; K172-E184 HydrophobicContact CG-CB 4.34Å; K172-E184 HydrophobicContact CG-CG 4.06Å; K172-E184 IonicContact NZ-OE1 2.81Å; K172-E184 PolarHBondContact NZ-OE1 3.1Å; E184-K186 HydrophobicContact CG-CG 4.21Å; E184-K186 WeakPolarHBondContact OE1-CE 3.45Å; E184-K186 IonicContact OE1-NZ 3.93Å; E184-K186 PolarHBondContact OE1-NZ 3.28Å; E184-K186 WeakPolarHBondContact OE2-CE 3.24Å; E184-K186 IonicContact OE2-NZ 3.61Å; E184-K186 PolarHBondContact OE2-NZ 3.37Å
185F94.1Very high91.6Very high8 Ų854 Ų544%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-94.8111.4-175.5-60.3-59000110.1T170 V171 L173 T183 L204 W216 L218 F221T170-F185 WeakPolarHBondContact CA-O 3.3Å; V171-F185 HydrophobicContact CB-CB 4.18Å; V171-F185 HydrophobicContact CB-CD2 4.12Å; V171-F185 HydrophobicContact CG1-CD2 4.13Å; V171-F185 PolarHBondContact N-O 3.22Å; V171-F185 VanDerWaalsContact N-O 3.14Å; V171-F185 WeakPolarHBondContact O-CB 3.49Å; V171-F185 PolarHBondContact O-N 2.77Å; L173-F185 HydrophobicContact CB-CE2 4.31Å; T183-F185 WeakPolarHBondContact OG1-CZ 3.42Å; F185-L204 HydrophobicContact CE2-CD2 4.22Å; F185-W216 HydrophobicContact CB-CD2 4.23Å; F185-W216 HydrophobicContact CB-CE3 4.08Å; F185-W216 HydrophobicContact CB-CH2 3.59Å; F185-W216 HydrophobicContact CB-CZ2 3.77Å; F185-W216 HydrophobicContact CB-CZ3 3.76Å; F185-W216 AromaticContact CD1-CD2 3.92Å; F185-W216 HydrophobicContact CD1-CD2 3.92Å; F185-W216 AromaticContact CD1-CE3 3.3Å; F185-W216 HydrophobicContact CD1-CE3 3.3Å; F185-W216 HydrophobicContact CD1-CH2 4.25Å; F185-W216 AromaticContact CD1-CZ3 3.5Å; F185-W216 HydrophobicContact CD1-CZ3 3.5Å; F185-W216 VanDerWaalsContact CD1-CZ3 3.5Å; F185-W216 HydrophobicContact CD2-CD2 4.42Å; F185-W216 HydrophobicContact CE1-CD2 4.33Å; F185-W216 AromaticContact CE1-CE3 3.78Å; F185-W216 HydrophobicContact CE1-CE3 3.78Å; F185-W216 HydrophobicContact CE1-CZ3 4.36Å; F185-W216 AromaticContact CG-CD2 3.96Å; F185-W216 HydrophobicContact CG-CD2 3.96Å; F185-W216 AromaticContact CG-CE3 3.77Å; F185-W216 HydrophobicContact CG-CE3 3.77Å; F185-W216 HydrophobicContact CG-CH2 4.22Å; F185-W216 HydrophobicContact CG-CZ2 4.41Å; F185-W216 AromaticContact CG-CZ3 3.91Å; F185-W216 HydrophobicContact CG-CZ3 3.91Å; F185-W216 HydrophobicContact CZ-CB 4.39Å; F185-L218 HydrophobicContact CE2-CD2 4.39Å; F185-L218 HydrophobicContact CZ-CD2 4.09Å; F185-F221 HydrophobicContact CE1-CB 4.13Å; F185-F221 HydrophobicContact CZ-CB 4.47Å; F185-F221 HydrophobicContact CZ-CD1 4.31Å
186K91.8Very high91.7Very high142 Ų14255.2 Ų55.262%0.61729%0.294SS*.  trans-115.284.4-178.9-58.5-172.1-174.8175.40111.1T170 E184T170-K186 HydrophobicContact CG2-CG 3.95Å; E184-K186 HydrophobicContact CG-CG 4.21Å; E184-K186 WeakPolarHBondContact OE1-CE 3.45Å; E184-K186 IonicContact OE1-NZ 3.93Å; E184-K186 PolarHBondContact OE1-NZ 3.28Å; E184-K186 WeakPolarHBondContact OE2-CE 3.24Å; E184-K186 IonicContact OE2-NZ 3.61Å; E184-K186 PolarHBondContact OE2-NZ 3.37Å
187S89.1Confident92Very high37 Ų3754.6 Ų54.626%0.25929%0.29SS..  trans-144.9-6.8173.476.50000115.4K214 W216S187-K214 PolarHBondContact O-NZ 3.24Å; S187-K214 WeakPolarHBondContact OG-CD 3.42Å; S187-W216 WeakPolarHBondContact OG-CH2 3.49Å; S187-W216 WeakPolarHBondContact OG-CZ2 3.44Å
188H92.7Very high92.4Very high16 Ų1646.6 Ų46.67%0.07426%0.255CS..  trans-79.2146.8168.8-78.5-65.3000110.2V192 S206 S208 D210 S212H188-V192 HydrophobicContact CB-CG2 3.91Å; H188-S206 PolarHBondContact NE2-O 2.66Å; H188-S206 PolarHBondContact NE2-OG 2.81Å; H188-S208 WeakPolarHBondContact ND1-CB 3.03Å; H188-D210 VanDerWaalsContact CA-OD2 3.26Å; H188-D210 WeakPolarHBondContact CA-OD2 3.48Å; H188-D210 WeakPolarHBondContact CB-OD2 3.21Å; H188-D210 IonicContact CG-OD2 2.8Å; H188-D210 IonicContact ND1-OD1 2.6Å; H188-D210 IonicContact ND1-OD2 3.35Å; H188-D210 PolarHBondContact ND1-OD2 2.68Å; H188-S212 PolarHBondContact CE1-OG 2.84Å; H188-S212 PolarHBondContact ND1-OG 3.08Å
189S92.6Very high92.6Very high102 Ų10242.9 Ų42.971%0.71324%0.242SC*.SBendtrans-103.9-1.3-179.658.40000113.6D210S189-D210 PolarHBondContact N-OD2 3.35Å; S189-D210 VanDerWaalsContact OG-CB 3.25Å; S189-D210 WeakPolarHBondContact OG-CB 3.26Å
190A94Very high92.8Very high28 Ų2847.3 Ų47.323%0.23126%0.262CS..SBendtrans-147172.1171.900000111.1C169 V192 S208 A209 D210C169-A190 WeakPolarHBondContact SG-CA 3.33Å; A190-V192 PolarHBondContact O-N 2.9Å; A190-S208 PolarHBondContact O-OG 3.46Å; A190-A209 HydrophobicContact CB-CB 4.02Å; A190-D210 HydrophobicContact CB-CB 3.99Å
191A93.9Very high92.7Very high27 Ų2745.7 Ų45.722%0.22326%0.257CS..  trans-42.6126.4179.300000113.7D167 S193 S208 A209D167-A191 HydrophobicContact CB-CB 4.29Å; D167-A191 VanDerWaalsContact OD1-CB 3.31Å; D167-A191 WeakPolarHBondContact OD1-CB 3.38Å; A191-S193 PolarHBondContact O-N 3.33Å; A191-S208 WeakPolarHBondContact O-CA 3.24Å; A191-S208 PolarHBondContact O-OG 2.79Å; A191-S208 VanDerWaalsContact O-OG 3.06Å; A191-A209 PolarHBondContact O-N 2.84Å
192V95.8Very high92.5Very high0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-86.1114.8-179.4-166.60000108.6R151 A165 S166 V171 H188 A190 G207R151-V192 WeakPolarHBondContact CB-O 3.38Å; A165-V192 HydrophobicContact CB-CB 3.73Å; A165-V192 HydrophobicContact CB-CG1 3.52Å; S166-V192 PolarHBondContact O-N 2.83Å; V171-V192 HydrophobicContact CG2-CB 4.33Å; V171-V192 HydrophobicContact CG2-CG1 3.78Å; V171-V192 HydrophobicContact CG2-CG2 4.16Å; H188-V192 HydrophobicContact CB-CG2 3.91Å; A190-V192 PolarHBondContact O-N 2.9Å; V192-G207 CarbonylContact C-O 3.43Å; V192-G207 WeakPolarHBondContact CG1-O 3.33Å
193S93.4Very high92.4Very high34 Ų3445.6 Ų45.624%0.23825%0.247CC..EExtended strand (participates in β ladder)trans-86.9-34.5-170.456.40000113.2S152 A191 G207 V234S152-S193 WeakPolarHBondContact CB-O 3.35Å; A191-S193 PolarHBondContact O-N 3.33Å; S193-G207 PolarHBondContact N-O 3.49Å; S193-G207 PolarHBondContact OG-O 2.99Å; S193-G207 VanDerWaalsContact OG-O 3.09Å; S193-V234 WeakPolarHBondContact CB-O 3.48Å; S193-V234 PolarHBondContact OG-O 3.28Å
194A93.3Very high92.5Very high7 Ų744 Ų446%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-141.5145.2-174.500000111.6S206 G207 L237A194-S206 WeakPolarHBondContact O-CA 3.31Å; A194-G207 PolarHBondContact N-O 3.07Å; A194-G207 PolarHBondContact O-N 2.89Å; A194-L237 HydrophobicContact CB-CB 4.49Å; A194-L237 HydrophobicContact CB-CD1 4.46Å; A194-L237 HydrophobicContact CB-CG 4.2Å
195V96.4Very high92.5Very high8 Ų840.1 Ų40.15%0.04822%0.219CC..EExtended strand (participates in β ladder)trans-138.2141.4171.961.20000110S152 A154 A163 A165 V171 L204 A205S152-V195 PolarHBondContact OG-N 3.27Å; A154-V195 HydrophobicContact CB-CG1 4.34Å; A163-V195 HydrophobicContact CB-CG2 3.8Å; A165-V195 HydrophobicContact CB-CB 3.94Å; A165-V195 HydrophobicContact CB-CG1 3.93Å; V171-V195 HydrophobicContact CG1-CG2 4.03Å; V195-L204 HydrophobicContact CG2-CD1 3.83Å; V195-L204 HydrophobicContact CG2-CD2 3.88Å; V195-L204 HydrophobicContact CG2-CG 3.91Å; V195-A205 WeakPolarHBondContact CA-O 3.26Å
196Q95.5Very high92.6Very high46 Ų4639.8 Ų39.822%0.21522%0.217CC..EExtended strand (participates in β ladder)trans-152.3142.9178.8-157.7-176.625.400112.1L204 A205 L237 F239Q196-L204 WeakPolarHBondContact O-CD1 3.39Å; Q196-A205 PolarHBondContact N-O 3.18Å; Q196-A205 PolarHBondContact O-N 2.92Å; Q196-L237 PolarHBondContact OE1-O 3.18Å; Q196-F239 HydrophobicContact CB-CD2 4.34Å; Q196-F239 HydrophobicContact CG-CD2 4.23Å
197F95.3Very high92.7Very high15 Ų1533 Ų337%0.06619%0.188CC..EExtended strand (participates in β ladder)trans-85.3146169.4-68.8-97.6000111.2A154 F155 P157 W161 A163 L173 L204 L218 F239A154-F197 HydrophobicContact CB-CD2 3.88Å; A154-F197 HydrophobicContact CB-CE2 4.13Å; A154-F197 WeakPolarHBondContact O-CE2 3.06Å; F155-F197 VanDerWaalsContact O-CD2 3.25Å; F155-F197 WeakPolarHBondContact O-CD2 3.14Å; P157-F197 HydrophobicContact CG-CB 4.24Å; W161-F197 HydrophobicContact CB-CZ 4.37Å; W161-F197 HydrophobicContact CE3-CE1 4.32Å; A163-F197 HydrophobicContact CB-CD2 4.47Å; A163-F197 HydrophobicContact CB-CE2 3.47Å; A163-F197 VanDerWaalsContact CB-CE2 3.47Å; A163-F197 HydrophobicContact CB-CZ 3.65Å; L173-F197 HydrophobicContact CD1-CE1 4.05Å; L173-F197 HydrophobicContact CD1-CZ 3.7Å; F197-L204 HydrophobicContact CB-CD1 4.42Å; F197-L204 HydrophobicContact CD1-CD1 3.68Å; F197-L204 HydrophobicContact CD2-CD1 3.68Å; F197-L204 HydrophobicContact CE1-CD1 3.77Å; F197-L204 HydrophobicContact CE2-CD1 3.75Å; F197-L204 HydrophobicContact CG-CD1 3.64Å; F197-L204 HydrophobicContact CZ-CD1 3.81Å; F197-L218 HydrophobicContact CD1-CD1 3.68Å; F197-L218 HydrophobicContact CE1-CD1 3.55Å; F197-F239 VanDerWaalsContact O-CD2 3.3Å; F197-F239 WeakPolarHBondContact O-CD2 3.27Å
198H92.6Very high93Very high2 Ų231.2 Ų31.21%0.00918%0.176CC..  trans-64.5138.5164.4-174-111.9000109.9P157 N200 E201 L203 F239 G243 W259P157-H198 WeakPolarHBondContact CG-O 3.06Å; H198-N200 VanDerWaalsContact C-N 3.3Å; H198-N200 PolarHBondContact O-N 3.43Å; H198-E201 IonicContact CE1-OE1 3.8Å; H198-E201 PolarHBondContact CE1-OE1 2.91Å; H198-E201 VanDerWaalsContact ND1-CB 3.31Å; H198-E201 WeakPolarHBondContact ND1-CB 3.46Å; H198-E201 WeakPolarHBondContact ND1-CG 3.39Å; H198-E201 PolarHBondContact ND1-N 3.46Å; H198-L203 HydrophobicContact CB-CB 3.8Å; H198-L203 HydrophobicContact CB-CD2 4.39Å; H198-L203 HydrophobicContact CB-CG 4.48Å; H198-L203 WeakPolarHBondContact CB-O 3.48Å; H198-L203 PolarHBondContact N-O 3.22Å; H198-F239 HydrophobicContact CB-CD2 4.47Å; H198-F239 HydrophobicContact CB-CE1 4.32Å; H198-F239 HydrophobicContact CB-CE2 4.18Å; H198-F239 HydrophobicContact CB-CZ 4.08Å; H198-F239 AromaticContact CD2-CD1 3.62Å; H198-F239 AromaticContact CD2-CE1 3.69Å; H198-G243 WeakPolarHBondContact NE2-CA 3.31Å; H198-G243 PolarHBondContact NE2-O 3.32Å; H198-W259 AromaticContact CD2-NE1 3.96Å; H198-W259 AromaticContact CE1-CZ2 3.85Å; H198-W259 AromaticContact NE2-CE2 3.94Å; H198-W259 AromaticContact NE2-CZ2 3.75Å; H198-W259 AromaticContact NE2-NE1 3.7Å
199P88.8Confident93Very high46 Ų4632.7 Ų32.730%0.29919%0.191SC..SBendtrans-66.4-29.2-17424.4-34.8000114
200N85.6Confident92.9Very high107 Ų10729 Ų2957%0.57216%0.163SC*.SBendtrans-114.5-9.9-166.6-65.5-38.2000114.6H198 D242H198-N200 VanDerWaalsContact C-N 3.3Å; H198-N200 PolarHBondContact O-N 3.43Å; N200-D242 PolarHBondContact ND2-O 3.01Å
201E87.1Confident92.8Very high98 Ų9834.1 Ų34.146%0.45818%0.176SC..SBendtrans-146.3167.3-167.1-55.5177.8-141.900112.9H198 L203 W259H198-E201 IonicContact CE1-OE1 3.8Å; H198-E201 PolarHBondContact CE1-OE1 2.91Å; H198-E201 VanDerWaalsContact ND1-CB 3.31Å; H198-E201 WeakPolarHBondContact ND1-CB 3.46Å; H198-E201 WeakPolarHBondContact ND1-CG 3.39Å; H198-E201 PolarHBondContact ND1-N 3.46Å; E201-L203 PolarHBondContact O-N 2.74Å; E201-W259 WeakPolarHBondContact OE1-CH2 3.23Å; E201-W259 WeakPolarHBondContact OE2-CH2 3.44Å
202Y89Confident92.7Very high109 Ų10933 Ų3343%0.42717%0.167SC..SBendtrans-7854.5178.5-69.4-63.6000112.5W161 L218 E219W161-Y202 HydrophobicContact CH2-CD1 4.12Å; W161-Y202 HydrophobicContact CH2-CE1 4.2Å; W161-Y202 AromaticContact CZ3-CD1 3.86Å; W161-Y202 HydrophobicContact CZ3-CD1 3.86Å; W161-Y202 HydrophobicContact CZ3-CE1 4.15Å; Y202-L218 WeakPolarHBondContact O-CB 3.41Å; Y202-L218 PolarHBondContact O-N 2.78Å; Y202-E219 HydrophobicContact CD2-CG 3.96Å; Y202-E219 HydrophobicContact CG-CG 4.1Å
203L92.1Very high92.6Very high11 Ų1133.1 Ų33.16%0.05817%0.167CC..EExtended strand (participates in β ladder)trans-124135.4179.9-175.473.3000110.4H198 E201 L215 W216 V224 F239 W259H198-L203 HydrophobicContact CB-CB 3.8Å; H198-L203 HydrophobicContact CB-CD2 4.39Å; H198-L203 HydrophobicContact CB-CG 4.48Å; H198-L203 WeakPolarHBondContact CB-O 3.48Å; H198-L203 PolarHBondContact N-O 3.22Å; E201-L203 PolarHBondContact O-N 2.74Å; L203-L215 HydrophobicContact CD1-CB 4.3Å; L203-W216 WeakPolarHBondContact CA-O 3.22Å; L203-V224 HydrophobicContact CD1-CG2 4.01Å; L203-F239 HydrophobicContact CD2-CE1 4.38Å; L203-F239 HydrophobicContact CD2-CZ 4.24Å; L203-W259 HydrophobicContact CD2-CB 4.3Å; L203-W259 HydrophobicContact CD2-CD2 3.58Å; L203-W259 HydrophobicContact CD2-CE3 3.8Å; L203-W259 HydrophobicContact CD2-CG 3.8Å; L203-W259 HydrophobicContact CD2-CZ3 4.42Å
204L95.3Very high92.6Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-119.8135.1173.7-168.180.2000109.8A163 V171 F185 V195 Q196 F197 L215 W216 L218A163-L204 HydrophobicContact CB-CD1 3.77Å; A163-L204 HydrophobicContact CB-CD2 4.08Å; V171-L204 HydrophobicContact CG1-CD2 3.94Å; F185-L204 HydrophobicContact CE2-CD2 4.22Å; V195-L204 HydrophobicContact CG2-CD1 3.83Å; V195-L204 HydrophobicContact CG2-CD2 3.88Å; V195-L204 HydrophobicContact CG2-CG 3.91Å; Q196-L204 WeakPolarHBondContact O-CD1 3.39Å; F197-L204 HydrophobicContact CB-CD1 4.42Å; F197-L204 HydrophobicContact CD1-CD1 3.68Å; F197-L204 HydrophobicContact CD2-CD1 3.68Å; F197-L204 HydrophobicContact CE1-CD1 3.77Å; F197-L204 HydrophobicContact CE2-CD1 3.75Å; F197-L204 HydrophobicContact CG-CD1 3.64Å; F197-L204 HydrophobicContact CZ-CD1 3.81Å; L204-L215 WeakPolarHBondContact O-CA 3.46Å; L204-W216 HydrophobicContact CB-CB 4.23Å; L204-W216 PolarHBondContact N-O 2.99Å; L204-W216 PolarHBondContact O-N 3.19Å; L204-L218 HydrophobicContact CB-CD1 4.14Å; L204-L218 HydrophobicContact CB-CD2 3.94Å; L204-L218 HydrophobicContact CB-CG 4.21Å
205A95Very high92.6Very high0 Ų032.3 Ų32.30%016%0.159CC..EExtended strand (participates in β ladder)trans-106137.616900000110.7V195 Q196 I213 K214 L215 L237 F239 L246V195-A205 WeakPolarHBondContact CA-O 3.26Å; Q196-A205 PolarHBondContact N-O 3.18Å; Q196-A205 PolarHBondContact O-N 2.92Å; A205-I213 HydrophobicContact CB-CG2 4.48Å; A205-K214 WeakPolarHBondContact CA-O 3.4Å; A205-L215 HydrophobicContact CB-CD2 3.8Å; A205-L237 HydrophobicContact CB-CD1 3.99Å; A205-F239 HydrophobicContact CB-CE2 3.68Å; A205-F239 HydrophobicContact CB-CZ 3.71Å; A205-L246 HydrophobicContact CB-CD1 4.34Å; A205-L246 HydrophobicContact CB-CD2 3.61Å
206S95.6Very high92.5Very high0 Ų032.5 Ų32.50%016%0.158CC..EExtended strand (participates in β ladder)trans-127.5131.4172.1590000111.2H188 A194 I213 K214 W216H188-S206 PolarHBondContact NE2-O 2.66Å; H188-S206 PolarHBondContact NE2-OG 2.81Å; A194-S206 WeakPolarHBondContact O-CA 3.31Å; S206-I213 CarbonylContact O-C 3.52Å; S206-I213 VanDerWaalsContact O-CA 3.3Å; S206-I213 WeakPolarHBondContact O-CA 3.29Å; S206-K214 PolarHBondContact N-O 3.44Å; S206-K214 PolarHBondContact O-N 3.04Å; S206-K214 PolarHBondContact OG-O 2.86Å; S206-W216 PolarHBondContact OG-NE1 3.39Å
207G94.1Very high92.3Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-112.1138.6178.200000110.6V192 S193 A194V192-G207 CarbonylContact C-O 3.43Å; V192-G207 WeakPolarHBondContact CG1-O 3.33Å; S193-G207 PolarHBondContact N-O 3.49Å; S193-G207 PolarHBondContact OG-O 2.99Å; S193-G207 VanDerWaalsContact OG-O 3.09Å; A194-G207 PolarHBondContact N-O 3.07Å; A194-G207 PolarHBondContact O-N 2.89Å
208S94.3Very high92.1Very high0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-129.8161.6-174.7170.50000113.5H188 A190 A191 D210 R211 S212 V234H188-S208 WeakPolarHBondContact ND1-CB 3.03Å; A190-S208 PolarHBondContact O-OG 3.46Å; A191-S208 WeakPolarHBondContact O-CA 3.24Å; A191-S208 PolarHBondContact O-OG 2.79Å; A191-S208 VanDerWaalsContact O-OG 3.06Å; S208-D210 WeakPolarHBondContact CB-OD1 3.38Å; S208-D210 PolarHBondContact O-N 3.44Å; S208-D210 VanDerWaalsContact OG-CG 3.23Å; S208-D210 PolarHBondContact OG-N 3.48Å; S208-D210 PolarHBondContact OG-OD1 2.81Å; S208-D210 PolarHBondContact OG-OD2 3.26Å; S208-R211 PolarHBondContact O-N 3.44Å; S208-S212 PolarHBondContact N-O 3.3Å; S208-V234 PolarHBondContact O-N 3.25Å
209A92.9Very high92Very high47 Ų4737 Ų3739%0.38818%0.18SC..THydrogen-bonded Turntrans-60.7-15.516500000113.7A190 A191 R211 A233A190-A209 HydrophobicContact CB-CB 4.02Å; A191-A209 PolarHBondContact O-N 2.84Å; A209-R211 PolarHBondContact O-N 3.07Å; A209-A233 HydrophobicContact CB-CB 4.37Å
210D91.4Very high91.8Very high23 Ų2341.1 Ų41.112%0.12319%0.193CC..THydrogen-bonded Turntrans-69.8-10.4174.865.223.6000114H188 S189 A190 S208 S212H188-D210 VanDerWaalsContact CA-OD2 3.26Å; H188-D210 WeakPolarHBondContact CA-OD2 3.48Å; H188-D210 WeakPolarHBondContact CB-OD2 3.21Å; H188-D210 IonicContact CG-OD2 2.8Å; H188-D210 IonicContact ND1-OD1 2.6Å; H188-D210 IonicContact ND1-OD2 3.35Å; H188-D210 PolarHBondContact ND1-OD2 2.68Å; S189-D210 PolarHBondContact N-OD2 3.35Å; S189-D210 VanDerWaalsContact OG-CB 3.25Å; S189-D210 WeakPolarHBondContact OG-CB 3.26Å; A190-D210 HydrophobicContact CB-CB 3.99Å; S208-D210 WeakPolarHBondContact CB-OD1 3.38Å; S208-D210 PolarHBondContact O-N 3.44Å; S208-D210 VanDerWaalsContact OG-CG 3.23Å; S208-D210 PolarHBondContact OG-N 3.48Å; S208-D210 PolarHBondContact OG-OD1 2.81Å; S208-D210 PolarHBondContact OG-OD2 3.26Å; D210-S212 VanDerWaalsContact CG-OG 3.31Å; D210-S212 WeakPolarHBondContact OD1-CB 3.38Å; D210-S212 PolarHBondContact OD1-N 2.98Å; D210-S212 PolarHBondContact OD1-OG 2.76Å; D210-S212 PolarHBondContact OD2-OG 3.09Å
211R90.9Very high92.1Very high136 Ų13639.2 Ų39.251%0.51318%0.18SC..SBendtrans7624.1-179.4-42.2162.1-67.3175.44113.7S208 A209 D230S208-R211 PolarHBondContact O-N 3.44Å; A209-R211 PolarHBondContact O-N 3.07Å; R211-D230 HydrophobicContact CB-CB 3.99Å
212S91.5Very high92.2Very high5 Ų537.7 Ų37.74%0.03518%0.178CC..EExtended strand (participates in β ladder)trans-110.7153.5166.671.50000111.7H188 S208 D210 K214 L227H188-S212 PolarHBondContact CE1-OG 2.84Å; H188-S212 PolarHBondContact ND1-OG 3.08Å; S208-S212 PolarHBondContact N-O 3.3Å; D210-S212 VanDerWaalsContact CG-OG 3.31Å; D210-S212 WeakPolarHBondContact OD1-CB 3.38Å; D210-S212 PolarHBondContact OD1-N 2.98Å; D210-S212 PolarHBondContact OD1-OG 2.76Å; D210-S212 PolarHBondContact OD2-OG 3.09Å; S212-K214 WeakPolarHBondContact OG-CE 3.35Å; S212-L227 WeakPolarHBondContact CA-O 3.42Å
213I93.6Very high92.3Very high1 Ų136.7 Ų36.71%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-113.8128161.7-54.9164.4000107A205 S206 L227 V234 L237 L246 F257A205-I213 HydrophobicContact CB-CG2 4.48Å; S206-I213 CarbonylContact O-C 3.52Å; S206-I213 VanDerWaalsContact O-CA 3.3Å; S206-I213 WeakPolarHBondContact O-CA 3.29Å; I213-L227 HydrophobicContact CB-CB 4.14Å; I213-L227 HydrophobicContact CB-CD1 4.45Å; I213-L227 PolarHBondContact N-O 2.93Å; I213-L227 PolarHBondContact O-N 3.35Å; I213-V234 HydrophobicContact CD1-CG2 4.42Å; I213-V234 HydrophobicContact CG1-CG1 4.38Å; I213-V234 HydrophobicContact CG1-CG2 3.73Å; I213-L237 HydrophobicContact CD1-CD2 3.91Å; I213-L237 HydrophobicContact CG1-CD2 4.21Å; I213-L237 HydrophobicContact CG2-CD1 4.24Å; I213-L237 HydrophobicContact CG2-CD2 4.25Å; I213-L246 HydrophobicContact CG2-CD2 3.78Å; I213-F257 HydrophobicContact CD1-CD2 3.84Å; I213-F257 HydrophobicContact CD1-CE2 3.45Å; I213-F257 VanDerWaalsContact CD1-CE2 3.45Å; I213-F257 HydrophobicContact CD1-CZ 4.11Å
214K93.6Very high92.1Very high21 Ų2140.3 Ų40.39%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-115.6138.4-176.9-60.8-169.6-177.8-152.90110.8S187 A205 S206 S212 W216 M223 S226S187-K214 PolarHBondContact O-NZ 3.24Å; S187-K214 WeakPolarHBondContact OG-CD 3.42Å; A205-K214 WeakPolarHBondContact CA-O 3.4Å; S206-K214 PolarHBondContact N-O 3.44Å; S206-K214 PolarHBondContact O-N 3.04Å; S206-K214 PolarHBondContact OG-O 2.86Å; S212-K214 WeakPolarHBondContact OG-CE 3.35Å; K214-W216 HydrophobicContact CB-CZ2 4.23Å; K214-M223 HydrophobicContact CD-SD 3.93Å; K214-M223 HydrophobicContact CG-SD 4.49Å; K214-S226 WeakPolarHBondContact CE-OG 3.43Å
215L93.8Very high91.6Very high4 Ų440.6 Ų40.62%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-112.3131.2-173.2-63.6176.1000109.4L203 L204 A205 M223 V224 G225 L227 L246 W259 D262L203-L215 HydrophobicContact CD1-CB 4.3Å; L204-L215 WeakPolarHBondContact O-CA 3.46Å; A205-L215 HydrophobicContact CB-CD2 3.8Å; L215-M223 CarbonylContact O-C 3.56Å; L215-M223 WeakPolarHBondContact O-CA 3.31Å; L215-V224 HydrophobicContact CB-CG2 4Å; L215-V224 WeakPolarHBondContact O-CG2 3.38Å; L215-V224 PolarHBondContact O-N 3.27Å; L215-G225 PolarHBondContact N-O 2.96Å; L215-G225 PolarHBondContact O-N 2.66Å; L215-L227 HydrophobicContact CD1-CD1 4.18Å; L215-L246 HydrophobicContact CD2-CD2 4.22Å; L215-W259 HydrophobicContact CD1-CB 3.54Å; L215-D262 WeakPolarHBondContact CD1-OD1 3.11Å
216W93.9Very high91.3Very high12 Ų1242.1 Ų42.15%0.04521%0.214CC..EExtended strand (participates in β ladder)trans-127120.1-171.6-50.587.6000110.9F185 S187 L203 L204 S206 K214 T222 M223F185-W216 HydrophobicContact CB-CD2 4.23Å; F185-W216 HydrophobicContact CB-CE3 4.08Å; F185-W216 HydrophobicContact CB-CH2 3.59Å; F185-W216 HydrophobicContact CB-CZ2 3.77Å; F185-W216 HydrophobicContact CB-CZ3 3.76Å; F185-W216 AromaticContact CD1-CD2 3.92Å; F185-W216 HydrophobicContact CD1-CD2 3.92Å; F185-W216 AromaticContact CD1-CE3 3.3Å; F185-W216 HydrophobicContact CD1-CE3 3.3Å; F185-W216 HydrophobicContact CD1-CH2 4.25Å; F185-W216 AromaticContact CD1-CZ3 3.5Å; F185-W216 HydrophobicContact CD1-CZ3 3.5Å; F185-W216 VanDerWaalsContact CD1-CZ3 3.5Å; F185-W216 HydrophobicContact CD2-CD2 4.42Å; F185-W216 HydrophobicContact CE1-CD2 4.33Å; F185-W216 AromaticContact CE1-CE3 3.78Å; F185-W216 HydrophobicContact CE1-CE3 3.78Å; F185-W216 HydrophobicContact CE1-CZ3 4.36Å; F185-W216 AromaticContact CG-CD2 3.96Å; F185-W216 HydrophobicContact CG-CD2 3.96Å; F185-W216 AromaticContact CG-CE3 3.77Å; F185-W216 HydrophobicContact CG-CE3 3.77Å; F185-W216 HydrophobicContact CG-CH2 4.22Å; F185-W216 HydrophobicContact CG-CZ2 4.41Å; F185-W216 AromaticContact CG-CZ3 3.91Å; F185-W216 HydrophobicContact CG-CZ3 3.91Å; F185-W216 HydrophobicContact CZ-CB 4.39Å; S187-W216 WeakPolarHBondContact OG-CH2 3.49Å; S187-W216 WeakPolarHBondContact OG-CZ2 3.44Å; L203-W216 WeakPolarHBondContact CA-O 3.22Å; L204-W216 HydrophobicContact CB-CB 4.23Å; L204-W216 PolarHBondContact N-O 2.99Å; L204-W216 PolarHBondContact O-N 3.19Å; S206-W216 PolarHBondContact OG-NE1 3.39Å; K214-W216 HydrophobicContact CB-CZ2 4.23Å; W216-T222 WeakPolarHBondContact CA-O 3.42Å; W216-M223 HydrophobicContact CD2-CB 4.49Å; W216-M223 HydrophobicContact CE3-CB 3.8Å; W216-M223 HydrophobicContact CE3-CG 4.36Å; W216-M223 HydrophobicContact CH2-CB 4.23Å; W216-M223 HydrophobicContact CH2-CG 4.4Å; W216-M223 HydrophobicContact CH2-SD 4.49Å; W216-M223 HydrophobicContact CZ3-CB 3.66Å; W216-M223 HydrophobicContact CZ3-CG 4.26Å
217D91.7Very high90.7Very high19 Ų1942.8 Ų42.810%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-71.1123167.8170.6-20.5000108.8E219 K220 F221 T222 V224D217-E219 WeakPolarHBondContact OD1-CA 3.5Å; D217-E219 WeakPolarHBondContact OD1-CB 3.36Å; D217-E219 PolarHBondContact OD1-N 3.1Å; D217-K220 PolarHBondContact OD1-N 3.39Å; D217-K220 VanDerWaalsContact OD2-CD 3.28Å; D217-K220 WeakPolarHBondContact OD2-CD 3.34Å; D217-K220 WeakPolarHBondContact OD2-CE 3.48Å; D217-K220 WeakPolarHBondContact OD2-CG 3.31Å; D217-K220 IonicContact OD2-NZ 3.58Å; D217-K220 PolarHBondContact OD2-NZ 2.83Å; D217-F221 CarbonylContact O-C 3.58Å; D217-F221 WeakPolarHBondContact O-CA 3.18Å; D217-F221 PolarHBondContact O-N 2.84Å; D217-T222 PolarHBondContact N-O 3.31Å; D217-T222 PolarHBondContact O-N 3.06Å; D217-V224 HydrophobicContact CB-CG1 3.57Å; D217-V224 HydrophobicContact CB-CG2 4.49Å
218L91.3Very high89.8Confident3 Ų349.5 Ų49.52%0.01625%0.249CC..THydrogen-bonded Turntrans-96.8-0.4-177.5-54.1174.5000113.7W161 L173 F185 F197 Y202 L204 F221W161-L218 HydrophobicContact CE3-CD1 4.25Å; W161-L218 HydrophobicContact CH2-CB 4.34Å; W161-L218 HydrophobicContact CZ3-CB 3.75Å; W161-L218 HydrophobicContact CZ3-CD1 3.98Å; W161-L218 HydrophobicContact CZ3-CG 4.47Å; L173-L218 HydrophobicContact CD2-CD2 4.2Å; F185-L218 HydrophobicContact CE2-CD2 4.39Å; F185-L218 HydrophobicContact CZ-CD2 4.09Å; F197-L218 HydrophobicContact CD1-CD1 3.68Å; F197-L218 HydrophobicContact CE1-CD1 3.55Å; Y202-L218 WeakPolarHBondContact O-CB 3.41Å; Y202-L218 PolarHBondContact O-N 2.78Å; L204-L218 HydrophobicContact CB-CD1 4.14Å; L204-L218 HydrophobicContact CB-CD2 3.94Å; L204-L218 HydrophobicContact CB-CG 4.21Å; L218-F221 WeakPolarHBondContact O-CE1 3.22Å; L218-F221 VanDerWaalsContact O-CZ 3.28Å; L218-F221 WeakPolarHBondContact O-CZ 3.18Å
219E89.4Confident88Confident134 Ų13452 Ų5263%0.62627%0.274SS*.THydrogen-bonded Turntrans-82.6-39.4165.6-56.2-168.4154.700110.5Y202 D217Y202-E219 HydrophobicContact CD2-CG 3.96Å; Y202-E219 HydrophobicContact CG-CG 4.1Å; D217-E219 WeakPolarHBondContact OD1-CA 3.5Å; D217-E219 WeakPolarHBondContact OD1-CB 3.36Å; D217-E219 PolarHBondContact OD1-N 3.1Å
220K86.4Confident86.6Confident133 Ų13350.3 Ų50.358%0.57826%0.259SS*.THydrogen-bonded Turntrans-100.5-16.4-178.4-56.8-179.1-161.472.10113.3D217 T222D217-K220 PolarHBondContact OD1-N 3.39Å; D217-K220 VanDerWaalsContact OD2-CD 3.28Å; D217-K220 WeakPolarHBondContact OD2-CD 3.34Å; D217-K220 WeakPolarHBondContact OD2-CE 3.48Å; D217-K220 WeakPolarHBondContact OD2-CG 3.31Å; D217-K220 IonicContact OD2-NZ 3.58Å; D217-K220 PolarHBondContact OD2-NZ 2.83Å; K220-T222 VanDerWaalsContact C-N 3.29Å; K220-T222 HydrophobicContact CB-CG2 4.27Å; K220-T222 WeakPolarHBondContact CB-OG1 3.45Å; K220-T222 PolarHBondContact O-N 2.84Å
221F90.5Very high85.1Confident67 Ų6754.9 Ų54.929%0.29429%0.288SS..THydrogen-bonded Turntrans56.239.3-171.4-50.8-74.4000113.6W161 L173 I182 T183 F185 D217 L218W161-F221 HydrophobicContact CH2-CE1 4.49Å; W161-F221 HydrophobicContact CH2-CZ 4.5Å; L173-F221 HydrophobicContact CD2-CD1 4.13Å; L173-F221 HydrophobicContact CD2-CE1 3.63Å; I182-F221 HydrophobicContact CG2-CE1 3.86Å; I182-F221 HydrophobicContact CG2-CE2 4.38Å; I182-F221 HydrophobicContact CG2-CZ 3.77Å; T183-F221 HydrophobicContact CG2-CB 3.61Å; T183-F221 HydrophobicContact CG2-CD1 3.85Å; T183-F221 HydrophobicContact CG2-CD2 4.12Å; T183-F221 HydrophobicContact CG2-CG 3.57Å; F185-F221 HydrophobicContact CE1-CB 4.13Å; F185-F221 HydrophobicContact CZ-CB 4.47Å; F185-F221 HydrophobicContact CZ-CD1 4.31Å; D217-F221 CarbonylContact O-C 3.58Å; D217-F221 WeakPolarHBondContact O-CA 3.18Å; D217-F221 PolarHBondContact O-N 2.84Å; L218-F221 WeakPolarHBondContact O-CE1 3.22Å; L218-F221 VanDerWaalsContact O-CZ 3.28Å; L218-F221 WeakPolarHBondContact O-CZ 3.18Å
222T89.5Confident84.8Confident66 Ų6650.1 Ų50.141%0.40528%0.275SS..EExtended strand (participates in β ladder)trans-117.7146.3-178.550.20000111.8W216 D217 K220 V224W216-T222 WeakPolarHBondContact CA-O 3.42Å; D217-T222 PolarHBondContact N-O 3.31Å; D217-T222 PolarHBondContact O-N 3.06Å; K220-T222 VanDerWaalsContact C-N 3.29Å; K220-T222 HydrophobicContact CB-CG2 4.27Å; K220-T222 WeakPolarHBondContact CB-OG1 3.45Å; K220-T222 PolarHBondContact O-N 2.84Å; T222-V224 PolarHBondContact O-N 2.86Å
223M90.4Very high84.7Confident88 Ų8851.5 Ų51.543%0.43329%0.287SS..EExtended strand (participates in β ladder)trans-65129.5167.6-164.9-179.877.900109.3K214 L215 W216K214-M223 HydrophobicContact CD-SD 3.93Å; K214-M223 HydrophobicContact CG-SD 4.49Å; L215-M223 CarbonylContact O-C 3.56Å; L215-M223 WeakPolarHBondContact O-CA 3.31Å; W216-M223 HydrophobicContact CD2-CB 4.49Å; W216-M223 HydrophobicContact CE3-CB 3.8Å; W216-M223 HydrophobicContact CE3-CG 4.36Å; W216-M223 HydrophobicContact CH2-CB 4.23Å; W216-M223 HydrophobicContact CH2-CG 4.4Å; W216-M223 HydrophobicContact CH2-SD 4.49Å; W216-M223 HydrophobicContact CZ3-CB 3.66Å; W216-M223 HydrophobicContact CZ3-CG 4.26Å
224V88.7Confident84.6Confident87 Ų8751.5 Ų51.553%0.52729%0.287SS..EExtended strand (participates in β ladder)trans-113.7-24.5179.6-70.40000113.6L203 L215 D217 T222L203-V224 HydrophobicContact CD1-CG2 4.01Å; L215-V224 HydrophobicContact CB-CG2 4Å; L215-V224 WeakPolarHBondContact O-CG2 3.38Å; L215-V224 PolarHBondContact O-N 3.27Å; D217-V224 HydrophobicContact CB-CG1 3.57Å; D217-V224 HydrophobicContact CB-CG2 4.49Å; T222-V224 PolarHBondContact O-N 2.86Å
225G84.9Confident84.5Confident6 Ų655 Ų556%0.06230%0.299CS..EExtended strand (participates in β ladder)trans-145.8153.4178.700000112.2L215 D262L215-G225 PolarHBondContact N-O 2.96Å; L215-G225 PolarHBondContact O-N 2.66Å; G225-D262 WeakPolarHBondContact CA-OD2 3.38Å
226S88Confident84.4Confident32 Ų3255.3 Ų55.322%0.22430%0.302CS..EExtended strand (participates in β ladder)trans-141.690.8177.1-160.90000108K214 E228 D262K214-S226 WeakPolarHBondContact CE-OG 3.43Å; S226-E228 PolarHBondContact O-N 2.98Å; S226-E228 PolarHBondContact OG-OE1 3.17Å; S226-D262 PolarHBondContact N-OD2 3.04Å
227L84.1Confident84.4Confident14 Ų1455.5 Ų55.57%0.07330%0.304CS..EExtended strand (participates in β ladder)trans-77.493.7-179.4-69165.9000108.7S212 I213 L215 F257 D262S212-L227 WeakPolarHBondContact CA-O 3.42Å; I213-L227 HydrophobicContact CB-CB 4.14Å; I213-L227 HydrophobicContact CB-CD1 4.45Å; I213-L227 PolarHBondContact N-O 2.93Å; I213-L227 PolarHBondContact O-N 3.35Å; L215-L227 HydrophobicContact CD1-CD1 4.18Å; L227-F257 HydrophobicContact CB-CD1 4.23Å; L227-F257 HydrophobicContact CB-CE1 4.17Å; L227-F257 HydrophobicContact CD1-CB 3.64Å; L227-F257 HydrophobicContact CD1-CD1 3.76Å; L227-F257 HydrophobicContact CD1-CD2 4.41Å; L227-F257 HydrophobicContact CD1-CE1 4.46Å; L227-F257 HydrophobicContact CD1-CG 3.71Å; L227-F257 HydrophobicContact CD2-CD1 3.65Å; L227-F257 HydrophobicContact CD2-CE1 4.2Å; L227-F257 HydrophobicContact CD2-CG 4.41Å; L227-F257 HydrophobicContact CG-CD1 4.09Å; L227-D262 WeakPolarHBondContact CD2-OD1 3.22Å; L227-D262 WeakPolarHBondContact CG-OD1 3.45Å
228E74Confident84.6Confident141 Ų14155.6 Ų55.666%0.65930%0.304SS*.EExtended strand (participates in β ladder)trans-107.2132.5180-71.2171.2-146.400110.1S226S226-E228 PolarHBondContact O-N 2.98Å; S226-E228 PolarHBondContact OG-OE1 3.17Å
229G58Low84.7Confident52 Ų5255.8 Ų55.854%0.53631%0.305SS..  trans155.83-178.400000116.2R255G229-R255 PolarHBondContact O-NH1 3.37Å
230D62.2Low84.7Confident12 Ų1249.5 Ų49.56%0.06428%0.276CS..  trans-81.8140.4178.6-75.66.7000111.9R211 S232 T250 R255R211-D230 HydrophobicContact CB-CB 3.99Å; D230-S232 VanDerWaalsContact C-N 3.27Å; D230-S232 WeakPolarHBondContact CB-O 3.17Å; D230-T250 VanDerWaalsContact OD2-CG2 3.26Å; D230-T250 WeakPolarHBondContact OD2-CG2 3.47Å; D230-R255 WeakPolarHBondContact OD1-CD 3.2Å; D230-R255 IonicContact OD1-CZ 2.82Å; D230-R255 VanDerWaalsContact OD1-CZ 3.29Å; D230-R255 IonicContact OD1-NE 2.68Å; D230-R255 PolarHBondContact OD1-NE 3.06Å; D230-R255 IonicContact OD1-NH1 3.35Å; D230-R255 PolarHBondContact OD1-NH1 2.95Å
231T61.6Low84.8Confident120 Ų12047.6 Ų47.674%0.73628%0.277SS*.SBendtrans-82.1-4.2170.949.80000112.8
232S83.3Confident84.5Confident36 Ų3648.5 Ų48.525%0.25229%0.285SS..SBendtrans-152.4157.7-170.3-71.80000111.4D230D230-S232 VanDerWaalsContact C-N 3.27Å; D230-S232 WeakPolarHBondContact CB-O 3.17Å
233A89.4Confident84.3Confident33 Ų3345.5 Ų45.527%0.27327%0.267SS..  trans-60.4138.2-178.800000112.3A209A209-A233 HydrophobicContact CB-CB 4.37Å
234V92.3Very high84.1Confident1 Ų143.9 Ų43.91%0.00626%0.264CS..  trans-65.8132.8171-1760000108.4S193 S208 I213 L237S193-V234 WeakPolarHBondContact CB-O 3.48Å; S193-V234 PolarHBondContact OG-O 3.28Å; S208-V234 PolarHBondContact O-N 3.25Å; I213-V234 HydrophobicContact CD1-CG2 4.42Å; I213-V234 HydrophobicContact CG1-CG1 4.38Å; I213-V234 HydrophobicContact CG1-CG2 3.73Å; V234-L237 HydrophobicContact CG1-CD2 3.89Å; V234-L237 HydrophobicContact CG1-CG 4.22Å
235R91.3Very high84.2Confident94 Ų9439.7 Ų39.736%0.35524%0.239SC..  trans-109.6-39.8-176.8-60.9-57.1-56.7-75.1-11.2113.4G249 V275R235-G249 WeakPolarHBondContact CB-O 3.42Å; R235-G249 PolarHBondContact N-O 3.47Å; R235-V275 HydrophobicContact CB-CG1 4.07Å
236C91.4Very high84.5Confident11 Ų1139.5 Ų39.57%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-150.3155.2177.252.30000110.3G249C236-G249 PolarHBondContact O-N 3.44Å
237L94.7Very high84.8Confident17 Ų1738 Ų389%0.08923%0.226CC..EExtended strand (participates in β ladder)trans-125.3143.4178.1-70.2179.8000109.4A194 Q196 A205 I213 V234 L246 Y247A194-L237 HydrophobicContact CB-CB 4.49Å; A194-L237 HydrophobicContact CB-CD1 4.46Å; A194-L237 HydrophobicContact CB-CG 4.2Å; Q196-L237 PolarHBondContact OE1-O 3.18Å; A205-L237 HydrophobicContact CB-CD1 3.99Å; I213-L237 HydrophobicContact CD1-CD2 3.91Å; I213-L237 HydrophobicContact CG1-CD2 4.21Å; I213-L237 HydrophobicContact CG2-CD1 4.24Å; I213-L237 HydrophobicContact CG2-CD2 4.25Å; V234-L237 HydrophobicContact CG1-CD2 3.89Å; V234-L237 HydrophobicContact CG1-CG 4.22Å; L237-L246 HydrophobicContact CB-CD1 4.22Å; L237-L246 HydrophobicContact CD2-CD1 4.29Å; L237-L246 HydrophobicContact CD2-CD2 4.32Å; L237-L246 HydrophobicContact CD2-CG 4.36Å; L237-Y247 WeakPolarHBondContact CA-O 3.32Å
238L94.6Very high85.2Confident20 Ų2037.4 Ų37.411%0.10522%0.223CC..EExtended strand (participates in β ladder)trans-144.8108172.4179.158.1000110.8Y247 L278 V280L238-Y247 HydrophobicContact CG-CD2 4.37Å; L238-Y247 PolarHBondContact N-O 2.81Å; L238-Y247 WeakPolarHBondContact O-CA 3.37Å; L238-Y247 VanDerWaalsContact O-CB 3.23Å; L238-Y247 WeakPolarHBondContact O-CB 3.42Å; L238-Y247 WeakPolarHBondContact O-CD2 3.4Å; L238-Y247 PolarHBondContact O-N 2.94Å; L238-L278 HydrophobicContact CB-CB 4.11Å; L238-L278 HydrophobicContact CB-CD1 4.27Å; L238-L278 HydrophobicContact CD2-CB 3.7Å; L238-V280 HydrophobicContact CD2-CG2 3.85Å
239F93.2Very high86Confident8 Ų830.7 Ų30.74%0.03519%0.191CC..EExtended strand (participates in β ladder)trans-60.3142.7162.3-78.1-73.6000110.5Q196 F197 H198 L203 A205 C245 L246Q196-F239 HydrophobicContact CB-CD2 4.34Å; Q196-F239 HydrophobicContact CG-CD2 4.23Å; F197-F239 VanDerWaalsContact O-CD2 3.3Å; F197-F239 WeakPolarHBondContact O-CD2 3.27Å; H198-F239 HydrophobicContact CB-CD2 4.47Å; H198-F239 HydrophobicContact CB-CE1 4.32Å; H198-F239 HydrophobicContact CB-CE2 4.18Å; H198-F239 HydrophobicContact CB-CZ 4.08Å; H198-F239 AromaticContact CD2-CD1 3.62Å; H198-F239 AromaticContact CD2-CE1 3.69Å; L203-F239 HydrophobicContact CD2-CE1 4.38Å; L203-F239 HydrophobicContact CD2-CZ 4.24Å; A205-F239 HydrophobicContact CB-CE2 3.68Å; A205-F239 HydrophobicContact CB-CZ 3.71Å; F239-C245 WeakPolarHBondContact CA-O 3.37Å; F239-L246 HydrophobicContact CD1-CB 4.05Å; F239-L246 HydrophobicContact CD1-CD1 3.94Å; F239-L246 HydrophobicContact CD2-CD1 4Å; F239-L246 HydrophobicContact CE1-CB 3.97Å; F239-L246 HydrophobicContact CE1-CD1 4.05Å; F239-L246 HydrophobicContact CE1-CD2 4.48Å; F239-L246 HydrophobicContact CE1-CG 4.4Å; F239-L246 HydrophobicContact CE2-CD1 4.11Å; F239-L246 HydrophobicContact CG-CD1 3.93Å; F239-L246 HydrophobicContact CZ-CD1 4.15Å; F239-L246 HydrophobicContact CZ-CD2 4.42Å
240S91Very high87.5Confident2 Ų228.5 Ų28.51%0.01417%0.168CC..  trans-62.7149.5170.656.90000110.5D242 G243 S244 C245S240-D242 VanDerWaalsContact CB-OD1 3.22Å; S240-D242 WeakPolarHBondContact CB-OD1 3.31Å; S240-D242 PolarHBondContact O-N 3.33Å; S240-D242 PolarHBondContact OG-OD1 3.08Å; S240-G243 PolarHBondContact O-N 2.9Å; S240-G243 PolarHBondContact OG-N 3.42Å; S240-S244 PolarHBondContact OG-N 3.16Å; S240-S244 VanDerWaalsContact OG-N 3.14Å; S240-S244 PolarHBondContact OG-OG 2.99Å; S240-C245 PolarHBondContact N-O 3.14Å; S240-C245 PolarHBondContact OG-N 2.91Å; S240-C245 PolarHBondContact OG-O 3.37Å
241P87.5Confident88.6Confident93 Ų9329.6 Ų29.660%0.60418%0.176SC*.THydrogen-bonded Turntrans-60.7-17.9179.1-26.435.8000114.9V280P241-V280 HydrophobicContact CG-CB 4.15Å; P241-V280 HydrophobicContact CG-CG1 4.05Å
242D85.3Confident89.7Confident85 Ų8528.4 Ų28.446%0.45517%0.165SC..THydrogen-bonded Turntrans-92.3-9.917454.233.1000113.9N200 S240 S244N200-D242 PolarHBondContact ND2-O 3.01Å; S240-D242 VanDerWaalsContact CB-OD1 3.22Å; S240-D242 WeakPolarHBondContact CB-OD1 3.31Å; S240-D242 PolarHBondContact O-N 3.33Å; S240-D242 PolarHBondContact OG-OD1 3.08Å; D242-S244 VanDerWaalsContact C-N 3.27Å; D242-S244 VanDerWaalsContact CG-OG 3.31Å; D242-S244 PolarHBondContact O-N 3.44Å; D242-S244 VanDerWaalsContact OD1-CB 3.31Å; D242-S244 WeakPolarHBondContact OD1-CB 3.36Å; D242-S244 PolarHBondContact OD1-N 2.92Å; D242-S244 PolarHBondContact OD1-OG 3.36Å
243G85.3Confident90.1Very high3 Ų327.6 Ų27.63%0.03116%0.16CC..SBendtrans81.7-12.7-175.500000115.9H198 S240 C245 W259H198-G243 WeakPolarHBondContact NE2-CA 3.31Å; H198-G243 PolarHBondContact NE2-O 3.32Å; S240-G243 PolarHBondContact O-N 2.9Å; S240-G243 PolarHBondContact OG-N 3.42Å; G243-C245 PolarHBondContact O-N 3.02Å; G243-W259 PolarHBondContact O-NE1 3.28Å
244S86.4Confident90.2Very high54 Ų5426 Ų2638%0.37815%0.147SC..SBendtrans-60.8-20.9-172.965.10000115.6S240 D242S240-S244 PolarHBondContact OG-N 3.16Å; S240-S244 VanDerWaalsContact OG-N 3.14Å; S240-S244 PolarHBondContact OG-OG 2.99Å; D242-S244 VanDerWaalsContact C-N 3.27Å; D242-S244 VanDerWaalsContact CG-OG 3.31Å; D242-S244 PolarHBondContact O-N 3.44Å; D242-S244 VanDerWaalsContact OD1-CB 3.31Å; D242-S244 WeakPolarHBondContact OD1-CB 3.36Å; D242-S244 PolarHBondContact OD1-N 2.92Å; D242-S244 PolarHBondContact OD1-OG 3.36Å
245C89.5Confident90.1Very high0 Ų027.9 Ų27.90%015%0.154CC..  trans-148.2154.7-175.6-80.50000112.5F239 S240 G243 V256 F257 R307F239-C245 WeakPolarHBondContact CA-O 3.37Å; S240-C245 PolarHBondContact N-O 3.14Å; S240-C245 PolarHBondContact OG-N 2.91Å; S240-C245 PolarHBondContact OG-O 3.37Å; G243-C245 PolarHBondContact O-N 3.02Å; C245-V256 HydrophobicContact CB-CG1 3.79Å; C245-V256 VanDerWaalsContact SG-CG1 3.53Å; C245-F257 WeakPolarHBondContact CA-O 3.4Å; C245-R307 VanDerWaalsContact SG-CA 3.59Å; C245-R307 PolarHBondContact SG-O 3.47Å
246L92.4Very high90.1Very high1 Ų123.4 Ų23.41%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-108.5120.3165.5179.960.3000110A205 I213 L215 L237 F239 F257A205-L246 HydrophobicContact CB-CD1 4.34Å; A205-L246 HydrophobicContact CB-CD2 3.61Å; I213-L246 HydrophobicContact CG2-CD2 3.78Å; L215-L246 HydrophobicContact CD2-CD2 4.22Å; L237-L246 HydrophobicContact CB-CD1 4.22Å; L237-L246 HydrophobicContact CD2-CD1 4.29Å; L237-L246 HydrophobicContact CD2-CD2 4.32Å; L237-L246 HydrophobicContact CD2-CG 4.36Å; F239-L246 HydrophobicContact CD1-CB 4.05Å; F239-L246 HydrophobicContact CD1-CD1 3.94Å; F239-L246 HydrophobicContact CD2-CD1 4Å; F239-L246 HydrophobicContact CE1-CB 3.97Å; F239-L246 HydrophobicContact CE1-CD1 4.05Å; F239-L246 HydrophobicContact CE1-CD2 4.48Å; F239-L246 HydrophobicContact CE1-CG 4.4Å; F239-L246 HydrophobicContact CE2-CD1 4.11Å; F239-L246 HydrophobicContact CG-CD1 3.93Å; F239-L246 HydrophobicContact CZ-CD1 4.15Å; F239-L246 HydrophobicContact CZ-CD2 4.42Å; L246-F257 HydrophobicContact CB-CB 4.44Å; L246-F257 PolarHBondContact N-O 3.21Å; L246-F257 PolarHBondContact O-N 3.21Å
247Y93.3Very high90Very high2 Ų223.3 Ų23.31%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-85.8131.4169.9-59.9-66000110.3L237 L238 L254 R255 V256 V280 L285 L302 R307L237-Y247 WeakPolarHBondContact CA-O 3.32Å; L238-Y247 HydrophobicContact CG-CD2 4.37Å; L238-Y247 PolarHBondContact N-O 2.81Å; L238-Y247 WeakPolarHBondContact O-CA 3.37Å; L238-Y247 VanDerWaalsContact O-CB 3.23Å; L238-Y247 WeakPolarHBondContact O-CB 3.42Å; L238-Y247 WeakPolarHBondContact O-CD2 3.4Å; L238-Y247 PolarHBondContact O-N 2.94Å; Y247-L254 HydrophobicContact CD1-CD1 4.09Å; Y247-L254 HydrophobicContact CD1-CD2 4.45Å; Y247-L254 HydrophobicContact CG-CD1 4.37Å; Y247-R255 WeakPolarHBondContact CA-O 3.45Å; Y247-V256 HydrophobicContact CD1-CG1 4.41Å; Y247-V256 HydrophobicContact CD1-CG2 3.83Å; Y247-V256 HydrophobicContact CE1-CG1 4.11Å; Y247-V256 HydrophobicContact CE1-CG2 3.78Å; Y247-V280 HydrophobicContact CD2-CG2 4.24Å; Y247-V280 HydrophobicContact CE2-CG2 3.91Å; Y247-L285 HydrophobicContact CD1-CD1 3.76Å; Y247-L285 HydrophobicContact CD2-CD1 3.75Å; Y247-L285 HydrophobicContact CE1-CD1 4.27Å; Y247-L285 HydrophobicContact CE2-CD1 4.26Å; Y247-L285 HydrophobicContact CG-CD1 3.51Å; Y247-L302 HydrophobicContact CE1-CD2 3.75Å; Y247-R307 WeakPolarHBondContact OH-CD 3.4Å
248S92.3Very high89.6Confident0 Ų022.6 Ų22.60%013%0.132CC..EExtended strand (participates in β ladder)trans-114.1127.2172.1-179.70000111.1R255S248-R255 PolarHBondContact N-O 3.11Å; S248-R255 PolarHBondContact O-N 3.43Å
249G90.8Very high88.8Confident0 Ų023.7 Ų23.70%014%0.135CC..EExtended strand (participates in β ladder)trans-89108.1168.900000111R235 C236R235-G249 WeakPolarHBondContact CB-O 3.42Å; R235-G249 PolarHBondContact N-O 3.47Å; C236-G249 PolarHBondContact O-N 3.44Å
250T89.1Confident88Confident7 Ų730.6 Ų30.64%0.04317%0.167CC..  trans-98.9175.5166.172.70000110D230 D252 S253 W272 V275D230-T250 VanDerWaalsContact OD2-CG2 3.26Å; D230-T250 WeakPolarHBondContact OD2-CG2 3.47Å; T250-D252 VanDerWaalsContact C-N 3.29Å; T250-D252 PolarHBondContact O-N 3.36Å; T250-S253 PolarHBondContact N-O 3.34Å; T250-S253 VanDerWaalsContact N-O 3.1Å; T250-S253 PolarHBondContact OG1-N 3.29Å; T250-S253 PolarHBondContact OG1-O 3.07Å; T250-S253 PolarHBondContact OG1-OG 2.6Å; T250-W272 PolarHBondContact O-NE1 3.03Å; T250-V275 WeakPolarHBondContact O-CG1 3.27Å
251S86.3Confident87.3Confident35 Ų3534.4 Ų34.425%0.24519%0.192CC..SBendtrans-51.9-40.1180-54.20000114.5W272 G273S251-W272 VanDerWaalsContact O-CD1 3.29Å; S251-G273 CarbonylContact C-O 3.53Å; S251-G273 WeakPolarHBondContact CA-O 3.09Å; S251-G273 CarbonylContact O-C 3.59Å; S251-G273 VanDerWaalsContact O-C 3.26Å; S251-G273 WeakPolarHBondContact O-CA 3.44Å; S251-G273 PolarHBondContact O-N 3.34Å
252D84.8Confident86.8Confident94 Ų9433.1 Ų33.150%0.50318%0.18SC..SBendtrans-132.8-7.2-171-59.6-72.1000113.7T250 V270 G271T250-D252 VanDerWaalsContact C-N 3.29Å; T250-D252 PolarHBondContact O-N 3.36Å; D252-V270 PolarHBondContact O-N 2.88Å; D252-G271 PolarHBondContact O-N 2.87Å
253S90.4Very high86.6Confident19 Ų1936 Ų3613%0.13318%0.184CC..EExtended strand (participates in β ladder)trans-133.5145.6-179.970.10000113.4T250 V268T250-S253 PolarHBondContact N-O 3.34Å; T250-S253 VanDerWaalsContact N-O 3.1Å; T250-S253 PolarHBondContact OG1-N 3.29Å; T250-S253 PolarHBondContact OG1-O 3.07Å; T250-S253 PolarHBondContact OG1-OG 2.6Å; S253-V268 CarbonylContact C-O 3.59Å; S253-V268 VanDerWaalsContact CA-O 3.29Å; S253-V268 WeakPolarHBondContact CA-O 3.49Å; S253-V268 WeakPolarHBondContact CB-O 3.44Å
254L91.8Very high86.6Confident0 Ų038.2 Ų38.20%020%0.199CC..EExtended strand (participates in β ladder)trans-86.9128159.6173.569.3000107.8Y247 V268 V270 W272 L278 L285 V300Y247-L254 HydrophobicContact CD1-CD1 4.09Å; Y247-L254 HydrophobicContact CD1-CD2 4.45Å; Y247-L254 HydrophobicContact CG-CD1 4.37Å; L254-V268 HydrophobicContact CB-CB 4.36Å; L254-V268 PolarHBondContact N-O 2.89Å; L254-V268 PolarHBondContact O-N 2.96Å; L254-V270 HydrophobicContact CB-CG2 4.14Å; L254-W272 HydrophobicContact CB-CH2 3.77Å; L254-W272 HydrophobicContact CB-CZ2 3.96Å; L254-W272 HydrophobicContact CD1-CH2 4.16Å; L254-W272 HydrophobicContact CG-CH2 4.45Å; L254-L278 HydrophobicContact CD1-CD1 4.43Å; L254-L285 HydrophobicContact CD1-CD1 3.87Å; L254-L285 HydrophobicContact CD1-CD2 4.29Å; L254-L285 HydrophobicContact CD2-CD1 4.07Å; L254-L285 HydrophobicContact CD2-CD2 4.08Å; L254-V300 HydrophobicContact CD2-CB 4.25Å; L254-V300 HydrophobicContact CD2-CG1 3.99Å; L254-V300 HydrophobicContact CD2-CG2 4.18Å
255R90.4Very high86.5Confident40 Ų4037.1 Ų37.115%0.15119%0.188CC..EExtended strand (participates in β ladder)trans-110.7143.4170.5-66.1-174.2167.6-157.9-7.9110.7G229 D230 Y247 S248 F257 T267G229-R255 PolarHBondContact O-NH1 3.37Å; D230-R255 WeakPolarHBondContact OD1-CD 3.2Å; D230-R255 IonicContact OD1-CZ 2.82Å; D230-R255 VanDerWaalsContact OD1-CZ 3.29Å; D230-R255 IonicContact OD1-NE 2.68Å; D230-R255 PolarHBondContact OD1-NE 3.06Å; D230-R255 IonicContact OD1-NH1 3.35Å; D230-R255 PolarHBondContact OD1-NH1 2.95Å; Y247-R255 WeakPolarHBondContact CA-O 3.45Å; S248-R255 PolarHBondContact N-O 3.11Å; S248-R255 PolarHBondContact O-N 3.43Å; R255-F257 HydrophobicContact CB-CD2 4.2Å; R255-F257 HydrophobicContact CB-CE2 3.49Å; R255-F257 VanDerWaalsContact CB-CE2 3.49Å; R255-F257 HydrophobicContact CB-CZ 3.87Å; R255-T267 HydrophobicContact CG-CG2 4.01Å
256V91.5Very high86.4Confident0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-113.5122.6175.7-170.60000108.5C245 Y247 C264 F265 D266 V305 R307C245-V256 HydrophobicContact CB-CG1 3.79Å; C245-V256 VanDerWaalsContact SG-CG1 3.53Å; Y247-V256 HydrophobicContact CD1-CG1 4.41Å; Y247-V256 HydrophobicContact CD1-CG2 3.83Å; Y247-V256 HydrophobicContact CE1-CG1 4.11Å; Y247-V256 HydrophobicContact CE1-CG2 3.78Å; V256-C264 CarbonylContact O-C 3.6Å; V256-C264 WeakPolarHBondContact O-CA 3.21Å; V256-F265 PolarHBondContact O-N 3.4Å; V256-D266 HydrophobicContact CB-CB 4.2Å; V256-D266 HydrophobicContact CG2-CB 4.18Å; V256-D266 PolarHBondContact N-O 3.47Å; V256-D266 PolarHBondContact O-N 3.01Å; V256-V305 HydrophobicContact CB-CG1 4.5Å; V256-V305 HydrophobicContact CG2-CG1 3.42Å; V256-V305 VanDerWaalsContact CG2-CG1 3.42Å; V256-R307 HydrophobicContact CG1-CG 4.46Å
257F89.1Confident86.3Confident10 Ų1041.9 Ų41.94%0.04422%0.215CC..EExtended strand (participates in β ladder)trans-116.7131.5179.3-62.1-83.8000110.7I213 L227 C245 L246 R255 R263 C264I213-F257 HydrophobicContact CD1-CD2 3.84Å; I213-F257 HydrophobicContact CD1-CE2 3.45Å; I213-F257 VanDerWaalsContact CD1-CE2 3.45Å; I213-F257 HydrophobicContact CD1-CZ 4.11Å; L227-F257 HydrophobicContact CB-CD1 4.23Å; L227-F257 HydrophobicContact CB-CE1 4.17Å; L227-F257 HydrophobicContact CD1-CB 3.64Å; L227-F257 HydrophobicContact CD1-CD1 3.76Å; L227-F257 HydrophobicContact CD1-CD2 4.41Å; L227-F257 HydrophobicContact CD1-CE1 4.46Å; L227-F257 HydrophobicContact CD1-CG 3.71Å; L227-F257 HydrophobicContact CD2-CD1 3.65Å; L227-F257 HydrophobicContact CD2-CE1 4.2Å; L227-F257 HydrophobicContact CD2-CG 4.41Å; L227-F257 HydrophobicContact CG-CD1 4.09Å; C245-F257 WeakPolarHBondContact CA-O 3.4Å; L246-F257 HydrophobicContact CB-CB 4.44Å; L246-F257 PolarHBondContact N-O 3.21Å; L246-F257 PolarHBondContact O-N 3.21Å; R255-F257 HydrophobicContact CB-CD2 4.2Å; R255-F257 HydrophobicContact CB-CE2 3.49Å; R255-F257 VanDerWaalsContact CB-CE2 3.49Å; R255-F257 HydrophobicContact CB-CZ 3.87Å; F257-R263 CarbonylContact C-O 3.58Å; F257-R263 WeakPolarHBondContact CA-O 3.41Å; F257-C264 HydrophobicContact CD1-CB 3.71Å; F257-C264 HydrophobicContact CE1-CB 3.62Å
258G85.5Confident86.1Confident2 Ų242 Ų422%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-81.1145.2155.400000109.6P261 D262 R263G258-P261 CarbonylContact C-O 3.57Å; G258-D262 WeakPolarHBondContact O-CA 3.5Å; G258-R263 PolarHBondContact N-O 3.16Å; G258-R263 PolarHBondContact O-N 3.32Å
259W79.2Confident85.9Confident43 Ų4346.7 Ų46.716%0.16325%0.247CC..EExtended strand (participates in β ladder)trans-103-23.5170.556-90.2000111.4H198 E201 L203 L215 G243 P261 D262H198-W259 AromaticContact CD2-NE1 3.96Å; H198-W259 AromaticContact CE1-CZ2 3.85Å; H198-W259 AromaticContact NE2-CE2 3.94Å; H198-W259 AromaticContact NE2-CZ2 3.75Å; H198-W259 AromaticContact NE2-NE1 3.7Å; E201-W259 WeakPolarHBondContact OE1-CH2 3.23Å; E201-W259 WeakPolarHBondContact OE2-CH2 3.44Å; L203-W259 HydrophobicContact CD2-CB 4.3Å; L203-W259 HydrophobicContact CD2-CD2 3.58Å; L203-W259 HydrophobicContact CD2-CE3 3.8Å; L203-W259 HydrophobicContact CD2-CG 3.8Å; L203-W259 HydrophobicContact CD2-CZ3 4.42Å; L215-W259 HydrophobicContact CD1-CB 3.54Å; G243-W259 PolarHBondContact O-NE1 3.28Å; W259-P261 CarbonylContact O-C 3.49Å; W259-D262 PolarHBondContact O-N 2.98Å
260E76.3Confident85.9Confident152 Ų15247.6 Ų47.671%0.7125%0.252SS*.THydrogen-bonded Turntrans-119.9103.6163.9-87.3-173.8-177.300111
261P75.2Confident85.7Confident83 Ų8349.8 Ų49.854%0.53928%0.276SS..THydrogen-bonded Turncis-72.7156.8-16.133.9-35.8000112G258 W259 R263G258-P261 CarbonylContact C-O 3.57Å; W259-P261 CarbonylContact O-C 3.49Å; P261-R263 PolarHBondContact O-N 3.14Å
262D77.9Confident85.9Confident66 Ų6648.5 Ų48.535%0.35327%0.265SS..EExtended strand (participates in β ladder)trans-60.696.6177-157.632.3000110.8L215 G225 S226 L227 G258 W259L215-D262 WeakPolarHBondContact CD1-OD1 3.11Å; G225-D262 WeakPolarHBondContact CA-OD2 3.38Å; S226-D262 PolarHBondContact N-OD2 3.04Å; L227-D262 WeakPolarHBondContact CD2-OD1 3.22Å; L227-D262 WeakPolarHBondContact CG-OD1 3.45Å; G258-D262 WeakPolarHBondContact O-CA 3.5Å; W259-D262 PolarHBondContact O-N 2.98Å
263R81.4Confident86.1Confident145 Ų14545.3 Ų45.355%0.54726%0.255SS..EExtended strand (participates in β ladder)trans-162.7139.5-169.5179178.9-70-150.10.8112.7F257 G258 P261 F265F257-R263 CarbonylContact C-O 3.58Å; F257-R263 WeakPolarHBondContact CA-O 3.41Å; G258-R263 PolarHBondContact N-O 3.16Å; G258-R263 PolarHBondContact O-N 3.32Å; P261-R263 PolarHBondContact O-N 3.14Å; R263-F265 HydrophobicContact CG-CD1 4.5Å; R263-F265 PolarHBondContact O-N 2.99Å
264C84.9Confident85.9Confident50 Ų5050.7 Ų50.734%0.33828%0.276SS..EExtended strand (participates in β ladder)trans-69.7116163-167.10000111V256 F257 D266V256-C264 CarbonylContact O-C 3.6Å; V256-C264 WeakPolarHBondContact O-CA 3.21Å; F257-C264 HydrophobicContact CD1-CB 3.71Å; F257-C264 HydrophobicContact CE1-CB 3.62Å; C264-D266 PolarHBondContact SG-O 3.02Å
265F84.9Confident85.9Confident31 Ų3150.7 Ų50.714%0.13628%0.276CS..EExtended strand (participates in β ladder)trans-83.5-34.1175.7-65.7-35.2000112.7V256 R263 K306V256-F265 PolarHBondContact O-N 3.4Å; R263-F265 HydrophobicContact CG-CD1 4.5Å; R263-F265 PolarHBondContact O-N 2.99Å; F265-K306 WeakPolarHBondContact CB-O 3.45Å
266D86.8Confident86Confident41 Ų4150.3 Ų50.322%0.21928%0.279CS..EExtended strand (participates in β ladder)trans-154.9156.8-177.1-145-24.4000112.8V256 C264 V305 K306V256-D266 HydrophobicContact CB-CB 4.2Å; V256-D266 HydrophobicContact CG2-CB 4.18Å; V256-D266 PolarHBondContact N-O 3.47Å; V256-D266 PolarHBondContact O-N 3.01Å; C264-D266 PolarHBondContact SG-O 3.02Å; D266-V305 HydrophobicContact CB-CG1 3.78Å; D266-V305 WeakPolarHBondContact OD2-CA 3.44Å; D266-V305 WeakPolarHBondContact OD2-CG1 3.46Å; D266-K306 HydrophobicContact CB-CB 4.08Å; D266-K306 PolarHBondContact OD2-N 3.41Å
267T89.8Confident86.1Confident60 Ų6051.6 Ų51.637%0.36829%0.286SS..EExtended strand (participates in β ladder)trans-139.9104.9173.9-66.50000109.1R255R255-T267 HydrophobicContact CG-CG2 4.01Å
268V89.4Confident86.3Confident5 Ų551.2 Ų51.23%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-98.2117.9-178.1-176.20000109.1I9 S253 L254 V270 V300 V305I9-V268 HydrophobicContact CG2-CG1 3.86Å; I9-V268 HydrophobicContact CG2-CG2 4.39Å; S253-V268 CarbonylContact C-O 3.59Å; S253-V268 VanDerWaalsContact CA-O 3.29Å; S253-V268 WeakPolarHBondContact CA-O 3.49Å; S253-V268 WeakPolarHBondContact CB-O 3.44Å; L254-V268 HydrophobicContact CB-CB 4.36Å; L254-V268 PolarHBondContact N-O 2.89Å; L254-V268 PolarHBondContact O-N 2.96Å; V268-V270 HydrophobicContact CG1-CG2 4.24Å; V268-V300 HydrophobicContact CG1-CG1 4.1Å; V268-V305 HydrophobicContact CG2-CB 4.47Å; V268-V305 HydrophobicContact CG2-CG1 3.92Å; V268-V305 HydrophobicContact CG2-CG2 3.75Å
269P89.5Confident86.7Confident98 Ų9851.1 Ų51.164%0.63628%0.284SS*.EExtended strand (participates in β ladder)trans-67.8135.6168.229-32.8000109.8S10S10-P269 PolarHBondContact OG-O 2.82Å
270V89Confident87.3Confident19 Ų1950.4 Ų50.412%0.11528%0.284CS..  trans-129.5-26.8178.8-168.40000112D252 L254 V268 W272 F298 V300D252-V270 PolarHBondContact O-N 2.88Å; L254-V270 HydrophobicContact CB-CG2 4.14Å; V268-V270 HydrophobicContact CG1-CG2 4.24Å; V270-W272 VanDerWaalsContact C-N 3.29Å; V270-W272 HydrophobicContact CB-CD2 3.83Å; V270-W272 HydrophobicContact CB-CE3 3.83Å; V270-W272 HydrophobicContact CB-CG 4.27Å; V270-W272 HydrophobicContact CB-CZ3 4.21Å; V270-W272 HydrophobicContact CG1-CB 4.37Å; V270-W272 HydrophobicContact CG1-CD2 3.81Å; V270-W272 HydrophobicContact CG1-CE3 3.39Å; V270-W272 HydrophobicContact CG1-CG 4.26Å; V270-W272 HydrophobicContact CG1-CZ3 3.91Å; V270-W272 HydrophobicContact CG2-CD2 4.44Å; V270-W272 HydrophobicContact CG2-CE3 4.22Å; V270-W272 HydrophobicContact CG2-CH2 4.18Å; V270-W272 HydrophobicContact CG2-CZ2 4.4Å; V270-W272 HydrophobicContact CG2-CZ3 4.08Å; V270-W272 PolarHBondContact O-N 2.88Å; V270-F298 HydrophobicContact CG1-CB 3.87Å; V270-F298 HydrophobicContact CG1-CD1 3.73Å; V270-F298 HydrophobicContact CG1-CG 3.98Å; V270-V300 HydrophobicContact CG2-CG2 3.96Å
271G86.4Confident87.8Confident52 Ų5243.8 Ų43.854%0.53625%0.254SS..  trans66.328.3176.900000114D252D252-G271 PolarHBondContact O-N 2.87Å
272W90.6Very high88.2Confident8 Ų841.9 Ų41.93%0.0324%0.239CC..  trans-81-7.6-175.750.329.2000115T250 S251 L254 V270 K274 V275 L278 L285 S289 F298T250-W272 PolarHBondContact O-NE1 3.03Å; S251-W272 VanDerWaalsContact O-CD1 3.29Å; L254-W272 HydrophobicContact CB-CH2 3.77Å; L254-W272 HydrophobicContact CB-CZ2 3.96Å; L254-W272 HydrophobicContact CD1-CH2 4.16Å; L254-W272 HydrophobicContact CG-CH2 4.45Å; V270-W272 VanDerWaalsContact C-N 3.29Å; V270-W272 HydrophobicContact CB-CD2 3.83Å; V270-W272 HydrophobicContact CB-CE3 3.83Å; V270-W272 HydrophobicContact CB-CG 4.27Å; V270-W272 HydrophobicContact CB-CZ3 4.21Å; V270-W272 HydrophobicContact CG1-CB 4.37Å; V270-W272 HydrophobicContact CG1-CD2 3.81Å; V270-W272 HydrophobicContact CG1-CE3 3.39Å; V270-W272 HydrophobicContact CG1-CG 4.26Å; V270-W272 HydrophobicContact CG1-CZ3 3.91Å; V270-W272 HydrophobicContact CG2-CD2 4.44Å; V270-W272 HydrophobicContact CG2-CE3 4.22Å; V270-W272 HydrophobicContact CG2-CH2 4.18Å; V270-W272 HydrophobicContact CG2-CZ2 4.4Å; V270-W272 HydrophobicContact CG2-CZ3 4.08Å; V270-W272 PolarHBondContact O-N 2.88Å; W272-K274 PolarHBondContact O-N 3.39Å; W272-V275 HydrophobicContact CD2-CB 4.11Å; W272-V275 HydrophobicContact CD2-CG2 4.14Å; W272-V275 HydrophobicContact CE3-CG2 4.46Å; W272-V275 HydrophobicContact CG-CB 4.1Å; W272-V275 HydrophobicContact CZ2-CB 4.48Å; W272-V275 HydrophobicContact CZ2-CG2 4.22Å; W272-L278 HydrophobicContact CH2-CD2 3.85Å; W272-L278 HydrophobicContact CZ2-CD2 4.5Å; W272-L278 HydrophobicContact CZ3-CD2 4.15Å; W272-L285 HydrophobicContact CH2-CD2 4.26Å; W272-L285 HydrophobicContact CZ3-CD2 4.26Å; W272-S289 WeakPolarHBondContact O-CB 3.35Å; W272-S289 PolarHBondContact O-OG 3.41Å; W272-F298 HydrophobicContact CB-CD1 4.33Å; W272-F298 HydrophobicContact CB-CD2 3.57Å; W272-F298 HydrophobicContact CB-CE1 4.22Å; W272-F298 HydrophobicContact CB-CE2 3.43Å; W272-F298 VanDerWaalsContact CB-CE2 3.43Å; W272-F298 HydrophobicContact CB-CG 4.04Å; W272-F298 HydrophobicContact CB-CZ 3.79Å; W272-F298 HydrophobicContact CE3-CB 4.02Å; W272-F298 HydrophobicContact CE3-CG 4.34Å
273G88.4Confident88.6Confident27 Ų2743.9 Ų43.928%0.27825%0.247SC..SBendtrans63.4-122.5-176.400000113S251 V275S251-G273 CarbonylContact C-O 3.53Å; S251-G273 WeakPolarHBondContact CA-O 3.09Å; S251-G273 CarbonylContact O-C 3.59Å; S251-G273 VanDerWaalsContact O-C 3.26Å; S251-G273 WeakPolarHBondContact O-CA 3.44Å; S251-G273 PolarHBondContact O-N 3.34Å; G273-V275 PolarHBondContact O-N 3.36Å
274K86.3Confident89Confident133 Ų13337.4 Ų37.458%0.57822%0.223SC*.SBendtrans-78.567.9-174.8-67179.4-178.9175.40112.1W272 S276 S289W272-K274 PolarHBondContact O-N 3.39Å; K274-S276 PolarHBondContact O-N 2.98Å; K274-S276 PolarHBondContact O-OG 2.81Å; K274-S276 VanDerWaalsContact O-OG 3.13Å; K274-S289 VanDerWaalsContact C-CB 3.49Å; K274-S289 WeakPolarHBondContact O-CA 3.12Å; K274-S289 VanDerWaalsContact O-CB 3.27Å; K274-S289 WeakPolarHBondContact O-CB 3.47Å
275V92Very high89.4Confident0 Ų035 Ų350%021%0.207CC..EExtended strand (participates in β ladder)trans-52.1130.9168.867.70000109.5R235 T250 W272 G273 L278R235-V275 HydrophobicContact CB-CG1 4.07Å; T250-V275 WeakPolarHBondContact O-CG1 3.27Å; W272-V275 HydrophobicContact CD2-CB 4.11Å; W272-V275 HydrophobicContact CD2-CG2 4.14Å; W272-V275 HydrophobicContact CE3-CG2 4.46Å; W272-V275 HydrophobicContact CG-CB 4.1Å; W272-V275 HydrophobicContact CZ2-CB 4.48Å; W272-V275 HydrophobicContact CZ2-CG2 4.22Å; G273-V275 PolarHBondContact O-N 3.36Å; V275-L278 HydrophobicContact CG2-CD2 3.69Å; V275-L278 HydrophobicContact CG2-CG 4.49Å
276S91.9Very high89.8Confident32 Ų3233.6 Ų33.622%0.22420%0.2CC..EExtended strand (participates in β ladder)trans-115.8-40.2-172.8-56.80000111.1K274 V288 H290K274-S276 PolarHBondContact O-N 2.98Å; K274-S276 PolarHBondContact O-OG 2.81Å; K274-S276 VanDerWaalsContact O-OG 3.13Å; S276-V288 PolarHBondContact N-O 3.19Å; S276-H290 PolarHBondContact OG-CE1 3.04Å; S276-H290 PolarHBondContact OG-ND1 3.07Å
277D93.3Very high90.1Very high27 Ų2731.6 Ų31.614%0.14419%0.19CC..EExtended strand (participates in β ladder)trans-150.3154.4-179.2-163.922.9000112S27 L28 K30 V288S27-D277 WeakPolarHBondContact CA-OD2 3.31Å; L28-D277 PolarHBondContact N-OD2 2.94Å; K30-D277 IonicContact NZ-OD1 3.17Å; K30-D277 PolarHBondContact NZ-OD1 3.47Å; K30-D277 IonicContact NZ-OD2 3Å; K30-D277 PolarHBondContact NZ-OD2 2.91Å; D277-V288 HydrophobicContact CB-CG2 4.05Å; D277-V288 PolarHBondContact O-N 3.43Å
278L94.3Very high90.3Very high1 Ų128.8 Ų28.81%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-129147.9-179.6-58.2179.1000110.6K30 L238 L254 W272 V275 L285 I286K30-L278 PolarHBondContact NZ-O 3.49Å; L238-L278 HydrophobicContact CB-CB 4.11Å; L238-L278 HydrophobicContact CB-CD1 4.27Å; L238-L278 HydrophobicContact CD2-CB 3.7Å; L254-L278 HydrophobicContact CD1-CD1 4.43Å; W272-L278 HydrophobicContact CH2-CD2 3.85Å; W272-L278 HydrophobicContact CZ2-CD2 4.5Å; W272-L278 HydrophobicContact CZ3-CD2 4.15Å; V275-L278 HydrophobicContact CG2-CD2 3.69Å; V275-L278 HydrophobicContact CG2-CG 4.49Å; L278-L285 HydrophobicContact CD2-CD2 4.07Å; L278-I286 CarbonylContact C-O 3.56Å; L278-I286 WeakPolarHBondContact CA-O 3.17Å
279A93Very high90.5Very high1 Ų128.8 Ų28.81%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-140.8154.8167.100000110.9L28 K30 L285 I286L28-A279 HydrophobicContact CB-CB 3.84Å; L28-A279 HydrophobicContact CD1-CB 3.91Å; L28-A279 HydrophobicContact CG-CB 4.47Å; K30-A279 HydrophobicContact CD-CB 4.48Å; A279-L285 CarbonylContact O-C 3.52Å; A279-L285 WeakPolarHBondContact O-CA 3.23Å; A279-I286 PolarHBondContact N-O 2.54Å; A279-I286 PolarHBondContact O-N 2.98Å
280V91.7Very high90.7Very high27 Ų2725.9 Ų25.916%0.16415%0.151CC..EExtended strand (participates in β ladder)trans-117128.2174.8171.40000109.5L238 P241 Y247 Q284 L285 L302L238-V280 HydrophobicContact CD2-CG2 3.85Å; P241-V280 HydrophobicContact CG-CB 4.15Å; P241-V280 HydrophobicContact CG-CG1 4.05Å; Y247-V280 HydrophobicContact CD2-CG2 4.24Å; Y247-V280 HydrophobicContact CE2-CG2 3.91Å; V280-Q284 WeakPolarHBondContact CA-O 3.29Å; V280-L285 HydrophobicContact CG2-CB 4.14Å; V280-L285 HydrophobicContact CG2-CD1 4.17Å; V280-L285 HydrophobicContact CG2-CG 4.29Å; V280-L302 HydrophobicContact CG1-CD1 3.77Å; V280-L302 HydrophobicContact CG2-CD1 4.03Å
281C87.7Confident90.8Very high13 Ų1332 Ų329%0.08818%0.178CC..EExtended strand (participates in β ladder)trans-148.3132.7179.4173.90000109.9S32 R34 Q283 Q284S32-C281 PolarHBondContact O-SG 3.12Å; R34-C281 PolarHBondContact NH1-SG 3.03Å; C281-Q283 VanDerWaalsContact C-N 3.31Å; C281-Q283 PolarHBondContact O-N 3.29Å; C281-Q284 PolarHBondContact N-O 3.39Å; C281-Q284 WeakPolarHBondContact O-CA 3.33Å; C281-Q284 WeakPolarHBondContact O-CB 3.46Å; C281-Q284 PolarHBondContact O-N 2.83Å; C281-Q284 VanDerWaalsContact O-O 3.07Å
282N83.1Confident91.1Very high43 Ų4335.3 Ų35.323%0.2318%0.183CC..THydrogen-bonded Turntrans51.540.4176.5-53.4-35000115.6Q284 S405 P407N282-Q284 PolarHBondContact O-N 3.16Å; N282-S405 PolarHBondContact ND2-O 2.83Å; N282-S405 PolarHBondContact ND2-OG 2.94Å; N282-P407 HydrophobicContact CB-CG 4.21Å
283Q85.7Confident91.1Very high108 Ų10836.1 Ų36.151%0.50519%0.19SC..THydrogen-bonded Turntrans62.921.6-174.1-50.2178.836.400114.5C281 L302 K303C281-Q283 VanDerWaalsContact C-N 3.31Å; C281-Q283 PolarHBondContact O-N 3.29Å; Q283-L302 WeakPolarHBondContact O-CA 3.3Å; Q283-L302 WeakPolarHBondContact O-CB 3.5Å; Q283-L302 PolarHBondContact O-N 2.85Å; Q283-K303 HydrophobicContact CB-CG 4.38Å
284Q90.2Very high91.4Very high10 Ų1035.9 Ų35.95%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-116.3139.5168.7-67.6179.3-32.900109.5V280 C281 N282 V299 V300 F408V280-Q284 WeakPolarHBondContact CA-O 3.29Å; C281-Q284 PolarHBondContact N-O 3.39Å; C281-Q284 WeakPolarHBondContact O-CA 3.33Å; C281-Q284 WeakPolarHBondContact O-CB 3.46Å; C281-Q284 PolarHBondContact O-N 2.83Å; C281-Q284 VanDerWaalsContact O-O 3.07Å; N282-Q284 PolarHBondContact O-N 3.16Å; Q284-V299 HydrophobicContact CB-CG1 4.01Å; Q284-V299 HydrophobicContact CG-CG1 4.11Å; Q284-V300 WeakPolarHBondContact CA-O 3.48Å; Q284-F408 PolarHBondContact NE2-O 3.09Å
285L92.5Very high91.7Very high0 Ų029.5 Ų29.50%016%0.156CC..EExtended strand (participates in β ladder)trans-96.6129.1167.3178.4150.5000108.4Y247 L254 W272 L278 A279 V280 V299 V300 L302Y247-L285 HydrophobicContact CD1-CD1 3.76Å; Y247-L285 HydrophobicContact CD2-CD1 3.75Å; Y247-L285 HydrophobicContact CE1-CD1 4.27Å; Y247-L285 HydrophobicContact CE2-CD1 4.26Å; Y247-L285 HydrophobicContact CG-CD1 3.51Å; L254-L285 HydrophobicContact CD1-CD1 3.87Å; L254-L285 HydrophobicContact CD1-CD2 4.29Å; L254-L285 HydrophobicContact CD2-CD1 4.07Å; L254-L285 HydrophobicContact CD2-CD2 4.08Å; W272-L285 HydrophobicContact CH2-CD2 4.26Å; W272-L285 HydrophobicContact CZ3-CD2 4.26Å; L278-L285 HydrophobicContact CD2-CD2 4.07Å; A279-L285 CarbonylContact O-C 3.52Å; A279-L285 WeakPolarHBondContact O-CA 3.23Å; V280-L285 HydrophobicContact CG2-CB 4.14Å; V280-L285 HydrophobicContact CG2-CD1 4.17Å; V280-L285 HydrophobicContact CG2-CG 4.29Å; L285-V299 CarbonylContact O-C 3.56Å; L285-V299 WeakPolarHBondContact O-CA 3.41Å; L285-V300 HydrophobicContact CB-CB 4.45Å; L285-V300 HydrophobicContact CD2-CG2 4.33Å; L285-V300 PolarHBondContact N-O 3.5Å; L285-V300 PolarHBondContact O-N 3.28Å; L285-L302 HydrophobicContact CB-CD1 4.1Å; L285-L302 HydrophobicContact CB-CD2 3.84Å; L285-L302 HydrophobicContact CB-CG 4.09Å
286I93.8Very high91.8Very high0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-107.6119.6177.9-58.2163.4000106.6L28 G33 V50 L278 A279 F298 V299 F408L28-I286 HydrophobicContact CD1-CB 4.37Å; L28-I286 HydrophobicContact CD1-CG2 4.03Å; L28-I286 WeakPolarHBondContact CD1-O 3.48Å; L28-I286 HydrophobicContact CD2-CG2 4.26Å; G33-I286 WeakPolarHBondContact O-CD1 3.39Å; V50-I286 HydrophobicContact CG1-CG2 4.39Å; L278-I286 CarbonylContact C-O 3.56Å; L278-I286 WeakPolarHBondContact CA-O 3.17Å; A279-I286 PolarHBondContact N-O 2.54Å; A279-I286 PolarHBondContact O-N 2.98Å; I286-F298 CarbonylContact C-O 3.57Å; I286-F298 VanDerWaalsContact CA-O 3.31Å; I286-F298 WeakPolarHBondContact CA-O 3.32Å; I286-V299 HydrophobicContact CG1-CG2 4.47Å; I286-F408 HydrophobicContact CD1-CE2 3.82Å; I286-F408 HydrophobicContact CG1-CE2 4.35Å
287G93.4Very high91.9Very high0 Ų028.3 Ų28.30%015%0.147CC..EExtended strand (participates in β ladder)trans-108.8140.5172.200000110.6F298G287-F298 PolarHBondContact N-O 2.86Å; G287-F298 PolarHBondContact O-N 3.33Å
288V94Very high91.9Very high0 Ų027.6 Ų27.60%014%0.143CC..EExtended strand (participates in β ladder)trans-121.5138.8173.4-68.70000112.2L26 L28 L36 S276 D277 S296L26-V288 HydrophobicContact CB-CG2 4.04Å; L26-V288 HydrophobicContact CD1-CB 4.05Å; L26-V288 HydrophobicContact CD1-CG2 4.01Å; L28-V288 HydrophobicContact CD1-CG1 4.05Å; L28-V288 HydrophobicContact CD1-CG2 3.87Å; L28-V288 HydrophobicContact CD2-CG1 3.87Å; L28-V288 HydrophobicContact CD2-CG2 4.46Å; L28-V288 HydrophobicContact CG-CG1 4.09Å; L28-V288 HydrophobicContact CG-CG2 3.82Å; L36-V288 HydrophobicContact CD1-CB 4.48Å; L36-V288 HydrophobicContact CD1-CG1 4.17Å; L36-V288 HydrophobicContact CD1-CG2 4.17Å; L36-V288 HydrophobicContact CD2-CG1 4.23Å; S276-V288 PolarHBondContact N-O 3.19Å; D277-V288 HydrophobicContact CB-CG2 4.05Å; D277-V288 PolarHBondContact O-N 3.43Å; V288-S296 WeakPolarHBondContact CA-O 3.48Å
289S94Very high91.8Very high6 Ų627.6 Ų27.64%0.04214%0.143CC..EExtended strand (participates in β ladder)trans-133.9159.5174.6630000110.8L26 W272 K274 S296L26-S289 VanDerWaalsContact CD1-C 3.45Å; W272-S289 WeakPolarHBondContact O-CB 3.35Å; W272-S289 PolarHBondContact O-OG 3.41Å; K274-S289 VanDerWaalsContact C-CB 3.49Å; K274-S289 WeakPolarHBondContact O-CA 3.12Å; K274-S289 VanDerWaalsContact O-CB 3.27Å; K274-S289 WeakPolarHBondContact O-CB 3.47Å; S289-S296 PolarHBondContact N-O 2.83Å; S289-S296 PolarHBondContact O-N 3.24Å
290H93.1Very high91.8Very high37 Ų3727.5 Ų27.517%0.17114%0.143CC..EExtended strand (participates in β ladder)trans-124.3149.4174.957.2-90.2000110.6V23 L26 S276 S294 V295V23-H290 HydrophobicContact CB-CB 3.99Å; V23-H290 HydrophobicContact CG1-CB 4.11Å; V23-H290 PolarHBondContact O-CD2 2.63Å; V23-H290 VanDerWaalsContact O-CD2 3.3Å; L26-H290 HydrophobicContact CD1-CB 3.99Å; L26-H290 HydrophobicContact CG-CB 4.43Å; S276-H290 PolarHBondContact OG-CE1 3.04Å; S276-H290 PolarHBondContact OG-ND1 3.07Å; H290-S294 VanDerWaalsContact CA-O 3.31Å; H290-S294 WeakPolarHBondContact CA-O 3.5Å; H290-V295 HydrophobicContact CB-CG2 4.38Å
291Q91.8Very high91.7Very high146 Ų14627.2 Ų27.268%0.68214%0.14SC*.EExtended strand (participates in β ladder)trans-141.6110.1170-179.6167.5-22.800109.1S293 S294Q291-S293 PolarHBondContact O-N 2.89Å; Q291-S294 PolarHBondContact N-O 2.84Å; Q291-S294 PolarHBondContact O-N 2.89Å; Q291-S294 PolarHBondContact O-OG 3Å
292L91.6Very high91.7Very high122 Ų12226.8 Ų26.864%0.63914%0.137SC*.THydrogen-bonded Turntrans55.1-121-170.9-53.9176.6000110.4T22 V23T22-L292 WeakPolarHBondContact CA-O 3.45Å; T22-L292 HydrophobicContact CG2-CD2 4.22Å; V23-L292 PolarHBondContact N-O 2.95Å
293S92.4Very high91.8Very high26 Ų2631 Ų3118%0.18215%0.153CC..THydrogen-bonded Turntrans-84.1-14.1177.2520000114.1E17 A18 H19 R21 Q291E17-S293 WeakPolarHBondContact OE1-CB 3.34Å; E17-S293 PolarHBondContact OE1-OG 3.46Å; A18-S293 PolarHBondContact N-O 3.47Å; H19-S293 WeakPolarHBondContact O-CB 3.36Å; R21-S293 WeakPolarHBondContact O-CA 3.47Å; R21-S293 WeakPolarHBondContact O-CB 3.36Å; Q291-S293 PolarHBondContact O-N 2.89Å
294S92.8Very high91.6Very high21 Ų2130.3 Ų30.315%0.14715%0.146CC..EExtended strand (participates in β ladder)trans-86.2145.4-178.793.40000112.8E15 F16 H290 Q291E15-S294 PolarHBondContact OE1-OG 2.71Å; F16-S294 CarbonylContact O-C 3.53Å; F16-S294 WeakPolarHBondContact O-CA 3.44Å; H290-S294 VanDerWaalsContact CA-O 3.31Å; H290-S294 WeakPolarHBondContact CA-O 3.5Å; Q291-S294 PolarHBondContact N-O 2.84Å; Q291-S294 PolarHBondContact O-N 2.89Å; Q291-S294 PolarHBondContact O-OG 3Å
295V94.1Very high91.4Very high0 Ų030.1 Ų30.10%015%0.146CC..EExtended strand (participates in β ladder)trans-122.8135.2175.5179.20000108.6E15 F16 A18 V23 L26 L36 T38 H290E15-V295 WeakPolarHBondContact CA-O 3.43Å; F16-V295 HydrophobicContact CE1-CB 4.46Å; F16-V295 HydrophobicContact CE1-CG1 4.49Å; F16-V295 HydrophobicContact CE2-CB 4.24Å; F16-V295 HydrophobicContact CZ-CB 4.08Å; F16-V295 HydrophobicContact CZ-CG1 4.15Å; F16-V295 PolarHBondContact N-O 3Å; F16-V295 VanDerWaalsContact N-O 3.13Å; F16-V295 PolarHBondContact O-N 2.88Å; A18-V295 HydrophobicContact CB-CB 4.1Å; A18-V295 HydrophobicContact CB-CG2 3.45Å; A18-V295 VanDerWaalsContact CB-CG2 3.45Å; V23-V295 HydrophobicContact CB-CG2 4.4Å; V23-V295 HydrophobicContact CG1-CG2 4.14Å; V23-V295 HydrophobicContact CG2-CG2 3.86Å; L26-V295 HydrophobicContact CD1-CG1 4.19Å; L26-V295 HydrophobicContact CD2-CB 4.48Å; L26-V295 HydrophobicContact CD2-CG1 3.76Å; L26-V295 HydrophobicContact CD2-CG2 3.81Å; L36-V295 HydrophobicContact CD2-CG1 4.08Å; T38-V295 HydrophobicContact CG2-CG1 4.43Å; T38-V295 HydrophobicContact CG2-CG2 4.19Å; H290-V295 HydrophobicContact CB-CG2 4.38Å
296S94.1Very high90.9Very high5 Ų534 Ų344%0.03516%0.163CC..EExtended strand (participates in β ladder)trans-121.3132.8-177.1-64.10000110.4R12 Q14 V288 S289 F298R12-S296 PolarHBondContact NE-OG 3.19Å; R12-S296 PolarHBondContact NH2-OG 2.81Å; Q14-S296 WeakPolarHBondContact O-CA 3.43Å; V288-S296 WeakPolarHBondContact CA-O 3.48Å; S289-S296 PolarHBondContact N-O 2.83Å; S289-S296 PolarHBondContact O-N 3.24Å; S296-F298 VanDerWaalsContact CB-CE2 3.45Å
297S93.4Very high90Very high1 Ų137.6 Ų37.61%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-108.8138.1169.466.80000110.5L13 Q14L13-S297 PolarHBondContact N-O 3.21Å; Q14-S297 WeakPolarHBondContact CB-OG 3.46Å; Q14-S297 PolarHBondContact N-O 3.32Å; Q14-S297 PolarHBondContact O-N 2.9Å
298F93.5Very high89Confident13 Ų1341.3 Ų41.36%0.05720%0.202CC..EExtended strand (participates in β ladder)trans-126.8144.2-179.7-64.9-98.6000109.1W11 R12 V270 W272 I286 G287 S296W11-F298 CarbonylContact O-C 3.56Å; W11-F298 VanDerWaalsContact O-CA 3.31Å; W11-F298 WeakPolarHBondContact O-CA 3.27Å; R12-F298 HydrophobicContact CB-CD1 3.92Å; R12-F298 HydrophobicContact CB-CE1 3.75Å; R12-F298 HydrophobicContact CB-CZ 4.45Å; R12-F298 HydrophobicContact CG-CD1 4.11Å; R12-F298 HydrophobicContact CG-CE1 3.73Å; R12-F298 HydrophobicContact CG-CE2 4.49Å; R12-F298 HydrophobicContact CG-CZ 3.93Å; V270-F298 HydrophobicContact CG1-CB 3.87Å; V270-F298 HydrophobicContact CG1-CD1 3.73Å; V270-F298 HydrophobicContact CG1-CG 3.98Å; W272-F298 HydrophobicContact CB-CD1 4.33Å; W272-F298 HydrophobicContact CB-CD2 3.57Å; W272-F298 HydrophobicContact CB-CE1 4.22Å; W272-F298 HydrophobicContact CB-CE2 3.43Å; W272-F298 VanDerWaalsContact CB-CE2 3.43Å; W272-F298 HydrophobicContact CB-CG 4.04Å; W272-F298 HydrophobicContact CB-CZ 3.79Å; W272-F298 HydrophobicContact CE3-CB 4.02Å; W272-F298 HydrophobicContact CE3-CG 4.34Å; I286-F298 CarbonylContact C-O 3.57Å; I286-F298 VanDerWaalsContact CA-O 3.31Å; I286-F298 WeakPolarHBondContact CA-O 3.32Å; G287-F298 PolarHBondContact N-O 2.86Å; G287-F298 PolarHBondContact O-N 3.33Å; S296-F298 VanDerWaalsContact CB-CE2 3.45Å
299V92.7Very high86.9Confident0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-118.5139.4177.3177.60000109.1S10 W11 L13 Q284 L285 I286 F408S10-V299 CarbonylContact C-O 3.49Å; S10-V299 VanDerWaalsContact CA-O 3.31Å; S10-V299 WeakPolarHBondContact CA-O 3.46Å; W11-V299 HydrophobicContact CD2-CB 4.22Å; W11-V299 HydrophobicContact CH2-CB 4.17Å; W11-V299 HydrophobicContact CH2-CG1 3.51Å; W11-V299 HydrophobicContact CZ2-CB 3.75Å; W11-V299 HydrophobicContact CZ2-CG1 3.43Å; W11-V299 VanDerWaalsContact CZ2-CG1 3.43Å; W11-V299 HydrophobicContact CZ3-CG1 4.16Å; W11-V299 PolarHBondContact N-O 3.32Å; W11-V299 PolarHBondContact O-N 3.03Å; L13-V299 HydrophobicContact CB-CG2 3.93Å; L13-V299 HydrophobicContact CD2-CG2 3.87Å; L13-V299 HydrophobicContact CG-CG2 4.34Å; Q284-V299 HydrophobicContact CB-CG1 4.01Å; Q284-V299 HydrophobicContact CG-CG1 4.11Å; L285-V299 CarbonylContact O-C 3.56Å; L285-V299 WeakPolarHBondContact O-CA 3.41Å; I286-V299 HydrophobicContact CG1-CG2 4.47Å; V299-F408 HydrophobicContact CG2-CB 4.35Å; V299-F408 HydrophobicContact CG2-CD2 3.72Å; V299-F408 HydrophobicContact CG2-CE2 4.45Å; V299-F408 HydrophobicContact CG2-CG 4.35Å
300V92.1Very high84.4Confident0 Ų047.6 Ų47.60%027%0.268CS..EExtended strand (participates in β ladder)trans-127126.7173.4-172.20000109.2I9 L254 V268 V270 Q284 L285 L302 V305I9-V300 HydrophobicContact CG2-CG1 4.26Å; I9-V300 WeakPolarHBondContact O-CA 3.25Å; L254-V300 HydrophobicContact CD2-CB 4.25Å; L254-V300 HydrophobicContact CD2-CG1 3.99Å; L254-V300 HydrophobicContact CD2-CG2 4.18Å; V268-V300 HydrophobicContact CG1-CG1 4.1Å; V270-V300 HydrophobicContact CG2-CG2 3.96Å; Q284-V300 WeakPolarHBondContact CA-O 3.48Å; L285-V300 HydrophobicContact CB-CB 4.45Å; L285-V300 HydrophobicContact CD2-CG2 4.33Å; L285-V300 PolarHBondContact N-O 3.5Å; L285-V300 PolarHBondContact O-N 3.28Å; V300-L302 PolarHBondContact O-N 3.48Å; V300-V305 HydrophobicContact CG1-CG2 3.78Å
301D89.1Confident81.6Confident20 Ų2048.3 Ų48.311%0.10728%0.28CS..EExtended strand (participates in β ladder)trans-82.9103.5-179.2-179.515000112.3I9 W11 K303 R304I9-D301 PolarHBondContact O-N 2.87Å; W11-D301 HydrophobicContact CZ3-CB 4.32Å; D301-K303 PolarHBondContact O-N 3.33Å; D301-K303 VanDerWaalsContact OD1-CB 3.29Å; D301-K303 WeakPolarHBondContact OD1-CB 3.45Å; D301-K303 VanDerWaalsContact OD1-CG 3.31Å; D301-K303 WeakPolarHBondContact OD1-CG 3.31Å; D301-K303 PolarHBondContact OD1-N 2.87Å; D301-K303 VanDerWaalsContact OD1-N 3.11Å; D301-R304 PolarHBondContact O-N 3.42Å
302L87.8Confident78.7Confident5 Ų547.5 Ų47.53%0.02629%0.285CS..THydrogen-bonded Turntrans-71.61.4-177.6-53.9173.6000113.9Y247 V280 Q283 L285 V300 V305 R307Y247-L302 HydrophobicContact CE1-CD2 3.75Å; V280-L302 HydrophobicContact CG1-CD1 3.77Å; V280-L302 HydrophobicContact CG2-CD1 4.03Å; Q283-L302 WeakPolarHBondContact O-CA 3.3Å; Q283-L302 WeakPolarHBondContact O-CB 3.5Å; Q283-L302 PolarHBondContact O-N 2.85Å; L285-L302 HydrophobicContact CB-CD1 4.1Å; L285-L302 HydrophobicContact CB-CD2 3.84Å; L285-L302 HydrophobicContact CB-CG 4.09Å; V300-L302 PolarHBondContact O-N 3.48Å; L302-V305 HydrophobicContact CD2-CG2 4.42Å; L302-R307 PolarHBondContact O-NE 3.25Å; L302-R307 PolarHBondContact O-NH2 3Å; L302-R307 VanDerWaalsContact O-NH2 3.14Å
303K85.1Confident75.9Confident130 Ų13048.2 Ų48.257%0.56529%0.288SS*.THydrogen-bonded Turntrans-75.3-26.8166.2-62.5171-175.6172.70112.4Q283 D301Q283-K303 HydrophobicContact CB-CG 4.38Å; D301-K303 PolarHBondContact O-N 3.33Å; D301-K303 VanDerWaalsContact OD1-CB 3.29Å; D301-K303 WeakPolarHBondContact OD1-CB 3.45Å; D301-K303 VanDerWaalsContact OD1-CG 3.31Å; D301-K303 WeakPolarHBondContact OD1-CG 3.31Å; D301-K303 PolarHBondContact OD1-N 2.87Å; D301-K303 VanDerWaalsContact OD1-N 3.11Å
304R81.9Confident72.9Confident94 Ų9456 Ų5636%0.35532%0.321SS..THydrogen-bonded Turntrans-105.2-13.2-176.6-69175.368-145.115.6113.6T7 K8 I9 D301 E413T7-R304 PolarHBondContact O-NH1 3.14Å; T7-R304 PolarHBondContact O-NH2 3.36Å; T7-R304 VanDerWaalsContact O-NH2 3.07Å; K8-R304 VanDerWaalsContact C-NH1 3.27Å; K8-R304 PolarHBondContact O-NH1 2.76Å; I9-R304 HydrophobicContact CG1-CB 4.48Å; I9-R304 VanDerWaalsContact CG1-CZ 3.49Å; I9-R304 VanDerWaalsContact N-NH1 3.15Å; D301-R304 PolarHBondContact O-N 3.42Å; R304-E413 IonicContact NH2-OE1 2.57Å; R304-E413 PolarHBondContact NH2-OE1 2.97Å
305V85.7Confident69.9Low7 Ų758.4 Ų58.44%0.04235%0.35CS..SBendtrans-84134.6173.2-1710000110.5I9 V256 D266 V268 V300 L302 R307I9-V305 HydrophobicContact CG2-CG2 4.13Å; V256-V305 HydrophobicContact CB-CG1 4.5Å; V256-V305 HydrophobicContact CG2-CG1 3.42Å; V256-V305 VanDerWaalsContact CG2-CG1 3.42Å; D266-V305 HydrophobicContact CB-CG1 3.78Å; D266-V305 WeakPolarHBondContact OD2-CA 3.44Å; D266-V305 WeakPolarHBondContact OD2-CG1 3.46Å; V268-V305 HydrophobicContact CG2-CB 4.47Å; V268-V305 HydrophobicContact CG2-CG1 3.92Å; V268-V305 HydrophobicContact CG2-CG2 3.75Å; V300-V305 HydrophobicContact CG1-CG2 3.78Å; L302-V305 HydrophobicContact CD2-CG2 4.42Å; V305-R307 PolarHBondContact O-N 3.45Å
306K82.1Confident66.9Low82 Ų8266.1 Ų66.136%0.35739%0.39SS..  trans-72.2119.8178.7-61.8-178.4179.4-173.40110.8F265 D266 A311F265-K306 WeakPolarHBondContact CB-O 3.45Å; D266-K306 HydrophobicContact CB-CB 4.08Å; D266-K306 PolarHBondContact OD2-N 3.41Å; K306-A311 HydrophobicContact CD-CB 4.32Å
307R76.3Confident63.9Low74 Ų7472.3 Ų72.328%0.27943%0.427SS..  trans-117.111.9-177.9-66.1-177.2-71.1122.8-6.8114.1C245 Y247 V256 L302 V305C245-R307 VanDerWaalsContact SG-CA 3.59Å; C245-R307 PolarHBondContact SG-O 3.47Å; Y247-R307 WeakPolarHBondContact OH-CD 3.4Å; V256-R307 HydrophobicContact CG1-CG 4.46Å; L302-R307 PolarHBondContact O-NE 3.25Å; L302-R307 PolarHBondContact O-NH2 3Å; L302-R307 VanDerWaalsContact O-NH2 3.14Å; V305-R307 PolarHBondContact O-N 3.45Å
308S70.9Confident60.8Low78 Ų7882.9 Ų82.955%0.54547%0.466SS..SBendtrans-162.5157171.962.10000110.6G310S308-G310 PolarHBondContact O-N 2.97Å
309G50.5Low57.7Low63 Ų6389 Ų8965%0.64950%0.5SS*.THydrogen-bonded Turntrans-70.69.1-175.600000116.6A311G309-A311 PolarHBondContact O-N 3.23Å
310G42.5Very low54.7Low76 Ų7696.5 Ų96.578%0.78454%0.54SS*.THydrogen-bonded Turntrans-83.4-0.3-171.900000116.5S308S308-G310 PolarHBondContact O-N 2.97Å
311A32.8Very low51.6Low52 Ų52107.8 Ų107.843%0.4358%0.583SS.*SBendtrans-110.2115.1-175.500000112.2K306 G309K306-A311 HydrophobicContact CD-CB 4.32Å; G309-A311 PolarHBondContact O-N 3.23Å
312V30.4Very low48.9Very low128 Ų128112.6 Ų112.678%0.77662%0.615SS**  trans-46.3138.8-178177.10000112.6Q314V312-Q314 PolarHBondContact O-N 3.32Å
313I34.3Very low46Very low138 Ų138119.9 Ų119.971%0.70865%0.653SS**  trans-81.5108.4171.9-58.2170.5000108.3
314Q29.7Very low43.2Very low188 Ų188119.6 Ų119.688%0.87966%0.662SS**  trans-101.2139.3151.6-79.3-172-25.800108.2V312V312-Q314 PolarHBondContact O-N 3.32Å
315G28.2Very low40.9Very low73 Ų73122.9 Ų122.975%0.75369%0.687SS**SBendtrans112.322.4154.400000120
316I31.6Very low38.3Very low162 Ų162128.4 Ų128.483%0.83172%0.723SS**  trans-131.7112.3149.2-56.2-177.5000108.7
317V31.2Very low35.6Very low134 Ų134129 Ų12981%0.81274%0.744SS**  trans-94.6128.7173.3174.10000108.8
318R28.2Very low33.4Very low223 Ų223133 Ų13384%0.84277%0.765SS**  trans-160.3109.1150.1-114.1171.3-172.4-178.32.6112.7
319D28.7Very low31.4Very low141 Ų141135.5 Ų135.575%0.75478%0.779SS**  trans61.5121.1147.1-47.5-23.8000120.5
320D29.6Very low30.4Very low158 Ų158143.3 Ų143.385%0.84579%0.789SS**  trans-72.6141.9178.3-64.9-76.2000114.6
321R26.8Very low29.5Very low238 Ų238144.8 Ų144.890%0.89879%0.794SS**  trans-166124.5136.3-106.1159.3-161-145.73.3111.4
322P32.6Very low29.5Very low121 Ų121147.4 Ų147.479%0.78682%0.815SS**  trans-87128.7-179.732.8-32.7000112.1
323L28Very low29.3Very low158 Ų158145.8 Ų145.883%0.82782%0.816SS**  trans-138.397.2171.8-75.6177.6000112.6
324T24.9Very low28.9Very low123 Ų123147.2 Ų147.276%0.75582%0.824SS**  trans33.2120.7139.855.80000120.8
325N34.4Very low28.8Very low163 Ų163150.1 Ų150.187%0.87283%0.827SS**PPolyproline II helixtrans-59.4135.7163.8-59.5-13.2000113
326P30.1Very low28.8Very low123 Ų123157 Ų15780%0.79983%0.83SS**PPolyproline II helixtrans-86157.6149.4-5.725.5000110.9
327A25.1Very low28.6Very low96 Ų96156.1 Ų156.179%0.79383%0.827SS**PPolyproline II helixtrans-91.3167.8-17800000113.9
328E30.8Very low28.5Very low158 Ų158159.6 Ų159.674%0.73883%0.827SS**PPolyproline II helixtrans-54.3152.7163.6-65.5-171.7162.800111.6R330E328-R330 IonicContact OE2-NE 3.35Å
329P28.7Very low28.5Very low129 Ų129156.2 Ų156.284%0.83883%0.826SS**  -123126.4126.833.7-29000112.4
330R30Very low28.5Very low228 Ų228160.8 Ų160.886%0.8683%0.832SS**  trans-63.5135.8170.1-65.2168.3169.7178.3-8.6111.4E328E328-R330 IonicContact OE2-NE 3.35Å
331A23.7Very low28.3Very low107 Ų107158.5 Ų158.588%0.88483%0.826SS**  trans-144.8131.5153.800000109.3
332A32.6Very low28.8Very low106 Ų106152.1 Ų152.188%0.87682%0.824SS**  trans-111.8142.2-177.400000111.4
333A25.5Very low28.6Very low95 Ų95153 Ų15379%0.78583%0.827SS**  trans-137.683.8177.500000112.3
334L26.1Very low28.4Very low167 Ų167149.8 Ų149.887%0.87482%0.824SS**  trans4290.4138.3-64.3159.2000117.8R336L334-R336 PolarHBondContact O-N 2.94Å
335R28.5Very low28.4Very low249 Ų249150.2 Ų150.294%0.9483%0.83SS**  trans-65.6122.9147.3-82.1-173.6174.9175.8-0.8108.2
336R27.8Very low27.9Very low217 Ų217146.8 Ų146.882%0.81982%0.819SS**  trans-116.7109.8172.1-151.2177-164.4174.84.5108.2L334L334-R336 PolarHBondContact O-N 2.94Å
337N27.3Very low27.8Very low144 Ų144146.3 Ų146.377%0.7782%0.819SS**  trans-65.7143.8177.8-64.1-5.1000109.8
338Y28.3Very low27.8Very low208 Ų208150.1 Ų150.182%0.81682%0.82SS**  trans-132.7117.4161.5-102.7-80.1000108.7
339D30Very low27.5Very low151 Ų151153 Ų15381%0.80782%0.824SS**PPolyproline II helixtrans-68148.9173.2-77.5-67.8000111.5P341D339-P341 WeakPolarHBondContact O-CD 3.41Å
340R28.6Very low27.2Very low237 Ų237156 Ų15689%0.89483%0.829SS**PPolyproline II helixtrans-80.3116.5-177.7178-176.6-175.6170.22.5110.4A342R340-A342 PolarHBondContact O-N 2.74Å
341P25.2Very low27Very low110 Ų110153.8 Ų153.871%0.71483%0.826SS**PPolyproline II helixtrans-65.8132.9167.6-16.231.4000109.7D339D339-P341 WeakPolarHBondContact O-CD 3.41Å
342A35.7Very low27.1Very low104 Ų104159.2 Ų159.286%0.8682%0.823SS**PPolyproline II helixtrans-82.6129.4164.300000109.1R340R340-A342 PolarHBondContact O-N 2.74Å
343T28.6Very low26.7Very low139 Ų139159.9 Ų159.985%0.85382%0.821SS**  trans-120.7135.5168.742.10000109.6
344A24.7Very low26.8Very low91 Ų91161 Ų16175%0.75281%0.814SS**  trans-118.7171.4-176.700000110.8
345C24.1Very low26.8Very low132 Ų132159.6 Ų159.689%0.89281%0.813SS**  trans69158.3177.8-54.30000114.3
346S24.2Very low26.7Very low91 Ų91153.4 Ų153.464%0.63680%0.798SS**  cis-136.2152.24.9-172.40000111.9
347S28.6Very low26.7Very low113 Ų113153 Ų15379%0.7980%0.797SS**  trans-79.5120167.657.90000110.8
348H24.3Very low26.6Very low177 Ų177157.1 Ų157.182%0.81980%0.801SS**  trans-117.1127.3164.9-88.6-82.9000112.7
349R25.1Very low26.7Very low219 Ų219152.6 Ų152.683%0.82680%0.801SS**  trans-99119.9-179.7176.7-163.7-163.8-173.610108.3
350M23.4Very low27.1Very low192 Ų192151.2 Ų151.295%0.94680%0.8SS**  trans-115.7147.1164.2-87.6-173.4161.700110.8
351K24.1Very low27.1Very low180 Ų180148 Ų14878%0.78380%0.8SS**  trans-116.8133.9179.1-105.7-172.8172.1-1730108.9
352R27.5Very low27.2Very low222 Ų222146.2 Ų146.284%0.83880%0.802SS**  trans23.2133.5153.6-83.5-172.4165.5175.7-5.3120D354R352-D354 IonicContact CZ-OD2 2.67Å; R352-D354 IonicContact NE-OD2 3.52Å
353S22.6Very low26.8Very low119 Ų119150.1 Ų150.183%0.83280%0.802SS**  -134.3129.8126.550.40000109.6
354D27.9Very low26.8Very low118 Ų118155 Ų15563%0.63181%0.805SS**  trans-92127.9167.1-70.9-77000108.2R352R352-D354 IonicContact CZ-OD2 2.67Å; R352-D354 IonicContact NE-OD2 3.52Å
355T27.2Very low26.9Very low138 Ų138161.9 Ų161.985%0.84781%0.811SS**  trans178.9134.2140.419.20000114.3
356D26.3Very low27Very low120 Ų120160.6 Ų160.664%0.64280%0.804SS**  trans52.9117.1142.4-108.819.9000123.7
357R27Very low27.4Very low208 Ų208165.9 Ų165.979%0.78582%0.819SS**  120.3124.4127.3-74.1167.9-162.8-162.14.4121
358R24.4Very low27.5Very low230 Ų230164.7 Ų164.787%0.86881%0.81SS**  trans64.896.7144.4-71.1-176.8170.7174.2-3.7119.5
359S31.6Very low27.9Very low114 Ų114165.2 Ų165.280%0.79781%0.813SS**PPolyproline II helixtrans-61.4148.4135.7-45.20000110.9
360P38.5Very low28Very low122 Ų122160.7 Ų160.779%0.79281%0.805SS**PPolyproline II helixtrans-94.2147.8154.70.919.2000111.3
361D29Very low28.8Very low169 Ų169161.4 Ų161.490%0.90481%0.806SS**PPolyproline II helixtrans-62.9158.6158.4-55.9-90.5000110.7
362G26.7Very low29.2Very low72 Ų72156.9 Ų156.974%0.74280%0.803SS**  cis150.4158.9-0.900000109.9
363E26.8Very low29.4Very low186 Ų186154 Ų15487%0.86980%0.799SS**  trans-146.1107.3171.9-143.1177.9-142.400110.7
364R29.1Very low30Very low243 Ų243155.2 Ų155.292%0.91780%0.796SS**  trans-81.6135.5173.3-69178.8176.8179.5-1.6109.2
365R26.4Very low30.6Very low234 Ų234157.5 Ų157.588%0.88380%0.8SS**  trans-125.8141.1146.1-71.2-166.3177.2-159.4-2.2108.7
366S26.3Very low31.1Very low105 Ų105158 Ų15873%0.73479%0.793SS**  trans-73.1146.4-164.632.60000113.2
367Q33.6Very low32.2Very low202 Ų202155.1 Ų155.194%0.94478%0.781SS**  trans-96.7119.2151.9-67.5179.7-59.800107.1
368S30.3Very low33.7Very low88 Ų88148.3 Ų148.362%0.61577%0.765SS**  trans-163.6138.8171.749.20000108.6
369E31.5Very low36.2Very low189 Ų189138 Ų13888%0.88373%0.729SS**  trans62.481.6165.6-66.4162.6-147.900116.8
370D28.3Very low38.7Very low124 Ų124136.1 Ų136.166%0.66371%0.708SS**  trans-15732.5156-142.2-4000111.9K63K63-D370 IonicContact NZ-OD1 3.81Å; K63-D370 PolarHBondContact NZ-OD1 3Å; K63-D370 IonicContact NZ-OD2 3.19Å; K63-D370 PolarHBondContact NZ-OD2 2.77Å
371E39.3Very low40.9Very low206 Ų206133.7 Ų133.796%0.96369%0.687SS**  trans-93.882.5168.2-77.1-163.9163.600109.9
372A33.7Very low43.3Very low86 Ų86131 Ų13171%0.71167%0.669SS**  trans-148.7139.7170.400000110.8
373E31.6Very low45.8Very low161 Ų161129.1 Ų129.175%0.75264%0.642SS**  trans52.493.7-177.5-62.7-149.4154.100116.9K375E373-K375 PolarHBondContact O-N 3.39Å; E373-K375 IonicContact OE2-NZ 3.23Å
374D35.6Very low48.4Very low144 Ų144122.2 Ų122.277%0.7762%0.617SS**  trans-74.163.4172.7-149.5-13.2000112.5Q376D374-Q376 PolarHBondContact O-N 3.48Å
375K40.5Very low50.8Low167 Ų167115.6 Ų115.673%0.72660%0.6SS**  trans-82.888.3161.8-82.2178.2-177.71520108.7E373 P377E373-K375 PolarHBondContact O-N 3.39Å; E373-K375 IonicContact OE2-NZ 3.23Å; K375-P377 WeakPolarHBondContact O-CD 3.39Å; K375-P377 VanDerWaalsContact O-N 3.13Å
376Q37.8Very low53.2Low149 Ų149105.3 Ų105.370%0.69656%0.562SS**  trans-54.1116.7175.1-68.5178.5-4.400109.9D374 S378D374-Q376 PolarHBondContact O-N 3.48Å; Q376-S378 PolarHBondContact O-N 2.61Å
377P48.6Very low55.9Low58 Ų58101.7 Ų101.738%0.37753%0.533SS..  trans-70.2106.1-167.424.1-33.2000111.8I97 K375I97-P377 HydrophobicContact CD1-CB 3.75Å; I97-P377 HydrophobicContact CD1-CG 3.67Å; K375-P377 WeakPolarHBondContact O-CD 3.39Å; K375-P377 VanDerWaalsContact O-N 3.13Å
378S57.9Low58Low65 Ų6598.5 Ų98.546%0.45551%0.512SS..BIsolated β-bridgetrans-101.4163.7-179.854.90000112T60 Q376T60-S378 PolarHBondContact N-O 2.78Å; T60-S378 PolarHBondContact OG1-O 3.23Å; Q376-S378 PolarHBondContact O-N 2.61Å
379A78.1Confident60.3Low14 Ų14100.8 Ų100.812%0.11651%0.513CS..EExtended strand (participates in β ladder)trans-82.4126.3159.900000109.6M57 S58 L59 A95 I381M57-A379 HydrophobicContact CE-CB 3.9Å; M57-A379 HydrophobicContact SD-CB 4.49Å; S58-A379 CarbonylContact O-C 3.55Å; S58-A379 WeakPolarHBondContact O-CA 3.38Å; L59-A379 HydrophobicContact CD2-CB 3.53Å; A95-A379 HydrophobicContact CB-CB 4.01Å; A95-A379 VanDerWaalsContact O-CB 3.23Å; A95-A379 WeakPolarHBondContact O-CB 3.26Å; A95-A379 PolarHBondContact O-N 3.06Å; A379-I381 PolarHBondContact O-N 3.42Å
380E83.6Confident62.5Low74 Ų7494.3 Ų94.335%0.34648%0.484SS..EExtended strand (participates in β ladder)trans-83.697.7170.9-63.7169.9-168.800107.9R44 M57 S58 T60 H382R44-E380 IonicContact CZ-OE1 3.51Å; R44-E380 IonicContact CZ-OE2 2.63Å; R44-E380 IonicContact NH1-OE1 3.64Å; R44-E380 IonicContact NH1-OE2 3.98Å; R44-E380 PolarHBondContact NH1-OE2 2.56Å; R44-E380 IonicContact NH2-OE1 2.85Å; R44-E380 PolarHBondContact NH2-OE1 3.4Å; R44-E380 IonicContact NH2-OE2 2.99Å; R44-E380 PolarHBondContact NH2-OE2 2.94Å; M57-E380 CarbonylContact C-O 3.55Å; M57-E380 VanDerWaalsContact CA-O 3.31Å; M57-E380 WeakPolarHBondContact CA-O 3.23Å; S58-E380 PolarHBondContact N-O 3.14Å; S58-E380 PolarHBondContact O-N 2.86Å; T60-E380 HydrophobicContact CG2-CG 4.16Å; E380-H382 PolarHBondContact O-N 3.23Å; E380-H382 PolarHBondContact O-ND1 3.03Å; E380-H382 IonicContact OE2-CE1 3.96Å
381I83.6Confident64.9Low72 Ų7289.3 Ų89.337%0.36946%0.456SS..EExtended strand (participates in β ladder)trans-71.1118.8174.8-61.8168.3000108.4M57 A95 A379 A384 Y387M57-I381 HydrophobicContact CB-CG1 4.37Å; M57-I381 HydrophobicContact CE-CD1 4.48Å; M57-I381 HydrophobicContact CE-CG1 3.85Å; A95-I381 HydrophobicContact CB-CD1 3.99Å; A95-I381 HydrophobicContact CB-CG1 4.4Å; A379-I381 PolarHBondContact O-N 3.42Å; I381-A384 HydrophobicContact CG2-CB 4.47Å; I381-Y387 HydrophobicContact CD1-CD1 3.94Å; I381-Y387 HydrophobicContact CD1-CD2 4.3Å; I381-Y387 HydrophobicContact CD1-CE1 3.82Å; I381-Y387 HydrophobicContact CD1-CE2 4.2Å; I381-Y387 HydrophobicContact CD1-CG 4.17Å; I381-Y387 HydrophobicContact CG1-CD2 4.34Å; I381-Y387 HydrophobicContact CG1-CE2 4.46Å; I381-Y387 HydrophobicContact CG1-CG 4.46Å; I381-Y387 HydrophobicContact CG2-CD1 4.47Å; I381-Y387 HydrophobicContact CG2-CD2 4.46Å; I381-Y387 HydrophobicContact CG2-CG 4Å
382H79.4Confident66Low112 Ų11285.5 Ų85.552%0.51944%0.438SS..SBendtrans-96.6-39.4-175-80.460.8000111.9C55 V56 E380C55-H382 HydrophobicContact CB-CB 4.37Å; C55-H382 VanDerWaalsContact O-CB 3.26Å; C55-H382 WeakPolarHBondContact O-CB 3.39Å; V56-H382 PolarHBondContact O-N 2.89Å; E380-H382 PolarHBondContact O-N 3.23Å; E380-H382 PolarHBondContact O-ND1 3.03Å; E380-H382 IonicContact OE2-CE1 3.96Å
383N81.1Confident67Low33 Ų3384.3 Ų84.318%0.17642%0.423CS..  trans-118.5101.6169.3-172.2-11.7000110.4V56 D385 D386 Y387V56-N383 PolarHBondContact O-N 3.01Å; N383-D385 VanDerWaalsContact C-N 3.29Å; N383-D385 PolarHBondContact O-N 3Å; N383-D385 PolarHBondContact OD1-N 2.78Å; N383-D385 VanDerWaalsContact OD1-N 3.07Å; N383-D386 HydrophobicContact CB-CB 4.04Å; N383-D386 PolarHBondContact ND2-OD1 3.28Å; N383-D386 PolarHBondContact ND2-OD2 3.4Å; N383-D386 PolarHBondContact OD1-N 2.97Å; N383-Y387 WeakPolarHBondContact O-CB 3.45Å; N383-Y387 PolarHBondContact O-N 3.06Å
384A79.8Confident67.9Low41 Ų4185 Ų8534%0.33942%0.424SS..Hα-helixtrans-66.4-26.7-178.400000113.7I381 R388I381-A384 HydrophobicContact CG2-CB 4.47Å; A384-R388 WeakPolarHBondContact O-CB 3.33Å; A384-R388 WeakPolarHBondContact O-CD 3.24Å; A384-R388 WeakPolarHBondContact O-CG 3.49Å; A384-R388 PolarHBondContact O-N 3.31Å
385D79Confident68.2Low104 Ų10486.4 Ų86.456%0.55643%0.425SS*.Hα-helixtrans-86.6-39.4-177.7-67.3-42.7000112N383 Y387 R388 E389N383-D385 VanDerWaalsContact C-N 3.29Å; N383-D385 PolarHBondContact O-N 3Å; N383-D385 PolarHBondContact OD1-N 2.78Å; N383-D385 VanDerWaalsContact OD1-N 3.07Å; D385-Y387 VanDerWaalsContact C-N 3.29Å; D385-Y387 PolarHBondContact O-N 3.46Å; D385-R388 PolarHBondContact O-N 3.26Å; D385-R388 IonicContact OD1-CZ 3.79Å; D385-R388 IonicContact OD1-NH1 3.66Å; D385-R388 PolarHBondContact OD1-NH1 3.03Å; D385-E389 WeakPolarHBondContact O-CB 3.28Å; D385-E389 PolarHBondContact O-N 3.14Å
386D78.1Confident68.3Low17 Ų1782.6 Ų82.69%0.09143%0.425CS..Hα-helixtrans-60.5-42.1166.1-73.4-10.6000110.7K52 V56 N383 R388 E389 I390K52-D386 WeakPolarHBondContact CD-OD1 3.3Å; K52-D386 VanDerWaalsContact CD-OD2 3.28Å; K52-D386 WeakPolarHBondContact CD-OD2 3.4Å; K52-D386 VanDerWaalsContact NZ-CG 3.34Å; K52-D386 IonicContact NZ-OD1 2.7Å; K52-D386 PolarHBondContact NZ-OD1 3.13Å; K52-D386 IonicContact NZ-OD2 2.72Å; V56-D386 HydrophobicContact CG1-CB 4.29Å; V56-D386 HydrophobicContact CG2-CB 4.14Å; N383-D386 HydrophobicContact CB-CB 4.04Å; N383-D386 PolarHBondContact ND2-OD1 3.28Å; N383-D386 PolarHBondContact ND2-OD2 3.4Å; N383-D386 PolarHBondContact OD1-N 2.97Å; D386-R388 VanDerWaalsContact C-N 3.34Å; D386-R388 PolarHBondContact O-N 3.39Å; D386-E389 PolarHBondContact O-N 2.93Å; D386-I390 HydrophobicContact CB-CD1 4.42Å; D386-I390 WeakPolarHBondContact O-CB 3.44Å; D386-I390 WeakPolarHBondContact O-CD1 3.1Å; D386-I390 WeakPolarHBondContact O-CG1 3.49Å; D386-I390 PolarHBondContact O-N 3.42Å
387Y81.9Confident68.5Low30 Ų3083.1 Ų83.112%0.11843%0.431CS..Hα-helixtrans-58.8-45176.9178.9-98.1000111.9V56 M57 L92 E93 I381 N383 D385 I390 F391V56-Y387 HydrophobicContact CG1-CD2 4.29Å; M57-Y387 HydrophobicContact CE-CD2 3.74Å; M57-Y387 HydrophobicContact CE-CE2 3.27Å; M57-Y387 HydrophobicContact SD-CE2 4.44Å; L92-Y387 WeakPolarHBondContact O-CE2 3.32Å; L92-Y387 PolarHBondContact O-OH 3.05Å; E93-Y387 VanDerWaalsContact C-OH 3.22Å; E93-Y387 PolarHBondContact O-OH 2.89Å; I381-Y387 HydrophobicContact CD1-CD1 3.94Å; I381-Y387 HydrophobicContact CD1-CD2 4.3Å; I381-Y387 HydrophobicContact CD1-CE1 3.82Å; I381-Y387 HydrophobicContact CD1-CE2 4.2Å; I381-Y387 HydrophobicContact CD1-CG 4.17Å; I381-Y387 HydrophobicContact CG1-CD2 4.34Å; I381-Y387 HydrophobicContact CG1-CE2 4.46Å; I381-Y387 HydrophobicContact CG1-CG 4.46Å; I381-Y387 HydrophobicContact CG2-CD1 4.47Å; I381-Y387 HydrophobicContact CG2-CD2 4.46Å; I381-Y387 HydrophobicContact CG2-CG 4Å; N383-Y387 WeakPolarHBondContact O-CB 3.45Å; N383-Y387 PolarHBondContact O-N 3.06Å; D385-Y387 VanDerWaalsContact C-N 3.29Å; D385-Y387 PolarHBondContact O-N 3.46Å; Y387-I390 PolarHBondContact O-N 2.96Å; Y387-F391 HydrophobicContact CD2-CB 4.46Å; Y387-F391 AromaticContact CD2-CD2 3.59Å; Y387-F391 HydrophobicContact CD2-CD2 3.59Å; Y387-F391 HydrophobicContact CD2-CE2 4.31Å; Y387-F391 HydrophobicContact CD2-CG 4.42Å; Y387-F391 HydrophobicContact CE2-CB 4.09Å; Y387-F391 AromaticContact CE2-CD2 3.73Å; Y387-F391 HydrophobicContact CE2-CD2 3.73Å; Y387-F391 HydrophobicContact CE2-CG 4.2Å; Y387-F391 HydrophobicContact CG-CD2 4.45Å; Y387-F391 PolarHBondContact O-N 2.83Å
388R78.5Confident68.4Low134 Ų13484 Ų8451%0.50644%0.438SS..Hα-helixtrans-65.5-40.6174.2-72.2159.5-173.1152.20.9112.2A384 D385 D386 I390 Q392A384-R388 WeakPolarHBondContact O-CB 3.33Å; A384-R388 WeakPolarHBondContact O-CD 3.24Å; A384-R388 WeakPolarHBondContact O-CG 3.49Å; A384-R388 PolarHBondContact O-N 3.31Å; D385-R388 PolarHBondContact O-N 3.26Å; D385-R388 IonicContact OD1-CZ 3.79Å; D385-R388 IonicContact OD1-NH1 3.66Å; D385-R388 PolarHBondContact OD1-NH1 3.03Å; D386-R388 VanDerWaalsContact C-N 3.34Å; D386-R388 PolarHBondContact O-N 3.39Å; R388-I390 VanDerWaalsContact C-N 3.29Å; R388-I390 PolarHBondContact O-N 2.77Å; R388-Q392 VanDerWaalsContact O-CB 3.23Å; R388-Q392 WeakPolarHBondContact O-CB 3.22Å; R388-Q392 WeakPolarHBondContact O-CG 3.35Å; R388-Q392 PolarHBondContact O-N 2.8Å; R388-Q392 PolarHBondContact O-NE2 2.86Å
389E78.5Confident67.7Low137 Ų13792.9 Ų92.964%0.6446%0.462SS*.Hα-helixtrans-60.7-40.1178.4-178.3175.8-135.200111.6K52 D385 D386K52-E389 IonicContact NZ-OE2 3.81Å; K52-E389 PolarHBondContact NZ-OE2 3.16Å; D385-E389 WeakPolarHBondContact O-CB 3.28Å; D385-E389 PolarHBondContact O-N 3.14Å; D386-E389 PolarHBondContact O-N 2.93Å
390I77.7Confident65.9Low53 Ų5397 Ų9727%0.27249%0.486SS..Hα-helixtrans-88.7-48.4-171.9-63.6164.4000112.5L35 A49 V56 D386 Y387 R388L35-I390 HydrophobicContact CD1-CG2 4.12Å; L35-I390 HydrophobicContact CD2-CD1 4.14Å; L35-I390 HydrophobicContact CD2-CG2 3.73Å; L35-I390 HydrophobicContact CG-CG2 4.45Å; A49-I390 HydrophobicContact CB-CD1 3.97Å; V56-I390 HydrophobicContact CG1-CD1 4.47Å; V56-I390 HydrophobicContact CG2-CD1 4.11Å; D386-I390 HydrophobicContact CB-CD1 4.42Å; D386-I390 WeakPolarHBondContact O-CB 3.44Å; D386-I390 WeakPolarHBondContact O-CD1 3.1Å; D386-I390 WeakPolarHBondContact O-CG1 3.49Å; D386-I390 PolarHBondContact O-N 3.42Å; Y387-I390 PolarHBondContact O-N 2.96Å; R388-I390 VanDerWaalsContact C-N 3.29Å; R388-I390 PolarHBondContact O-N 2.77Å
391F78.1Confident63.7Low19 Ų1998.7 Ų98.78%0.08350%0.503CS..Hα-helixtrans-111.324.2-166.7-57.2-71.8000113.6L35 I47 V56 L92 Y387L35-F391 HydrophobicContact CD1-CE1 3.85Å; L35-F391 HydrophobicContact CD1-CZ 3.8Å; L35-F391 HydrophobicContact CD2-CZ 4.32Å; I47-F391 HydrophobicContact CG2-CZ 4.27Å; V56-F391 HydrophobicContact CG1-CE2 4.33Å; L92-F391 HydrophobicContact CB-CD1 3.8Å; L92-F391 HydrophobicContact CB-CE1 3.59Å; L92-F391 HydrophobicContact CB-CG 4.5Å; L92-F391 HydrophobicContact CB-CZ 4.11Å; L92-F391 HydrophobicContact CD1-CE1 3.92Å; L92-F391 HydrophobicContact CD1-CZ 4.22Å; L92-F391 HydrophobicContact CG-CE1 4.31Å; Y387-F391 HydrophobicContact CD2-CB 4.46Å; Y387-F391 AromaticContact CD2-CD2 3.59Å; Y387-F391 HydrophobicContact CD2-CD2 3.59Å; Y387-F391 HydrophobicContact CD2-CE2 4.31Å; Y387-F391 HydrophobicContact CD2-CG 4.42Å; Y387-F391 HydrophobicContact CE2-CB 4.09Å; Y387-F391 AromaticContact CE2-CD2 3.73Å; Y387-F391 HydrophobicContact CE2-CD2 3.73Å; Y387-F391 HydrophobicContact CE2-CG 4.2Å; Y387-F391 HydrophobicContact CG-CD2 4.45Å; Y387-F391 PolarHBondContact O-N 2.83Å
392Q63.2Low61.9Low126 Ų126101 Ų10159%0.58952%0.523SS*.  trans-69137174.4-109176.810300112.1R388 K394R388-Q392 VanDerWaalsContact O-CB 3.23Å; R388-Q392 WeakPolarHBondContact O-CB 3.22Å; R388-Q392 WeakPolarHBondContact O-CG 3.35Å; R388-Q392 PolarHBondContact O-N 2.8Å; R388-Q392 PolarHBondContact O-NE2 2.86Å; Q392-K394 PolarHBondContact O-N 3.45Å
393P54.6Low60.2Low60 Ų60107.5 Ų107.539%0.3954%0.543SS..  trans-52.8128.5170.17.9-21.1000111.9E93 H395E93-P393 WeakPolarHBondContact OE1-CA 3.36Å; E93-P393 WeakPolarHBondContact OE1-CB 3.42Å; E93-P393 WeakPolarHBondContact OE1-CD 3.38Å; P393-H395 PolarHBondContact O-N 3.04Å
394K50Low58.6Low176 Ų176113.3 Ų113.377%0.76557%0.571SS**THydrogen-bonded Turntrans-75.238.4-177-63.9165.9-171.9150.70113.3E76 Q392E76-K394 IonicContact OE1-NZ 2.71Å; Q392-K394 PolarHBondContact O-N 3.45Å
395H42.9Very low57.8Low173 Ų173113.5 Ų113.580%0.80157%0.57SS**THydrogen-bonded Turntrans-86.7-10.6178-71.2-45.2000113.9P393 I397P393-H395 PolarHBondContact O-N 3.04Å; H395-I397 PolarHBondContact O-N 2.88Å
396A41.6Very low57.4Low87 Ų87116.6 Ų116.672%0.71958%0.581SS**SBendtrans-75.3115.5171.100000111S398A396-S398 VanDerWaalsContact C-N 3.3Å; A396-S398 PolarHBondContact O-N 3.27Å
397I42.4Very low57.3Low161 Ų161118.8 Ų118.883%0.82660%0.596SS**  trans-74.482.8176.9-54.4176.5000109.7H395 R399H395-I397 PolarHBondContact O-N 2.88Å; I397-R399 PolarHBondContact O-N 3.42Å
398S46.3Very low57.3Low76 Ų76118.2 Ų118.253%0.53159%0.594SS.*  trans-61.8119.4169.1175.40000110A396 T400A396-S398 VanDerWaalsContact C-N 3.3Å; A396-S398 PolarHBondContact O-N 3.27Å; S398-T400 VanDerWaalsContact C-N 3.3Å; S398-T400 PolarHBondContact OG-N 3.46Å; S398-T400 PolarHBondContact OG-O 2.89Å; S398-T400 PolarHBondContact OG-OG1 2.92Å
399R42.8Very low57.1Low251 Ų251117.1 Ų117.195%0.94761%0.605SS**SBendtrans-78.8-16172-68-172.3178.4-167.20.3113I397I397-R399 PolarHBondContact O-N 3.42Å
400T40.4Very low57Low101 Ų101112 Ų11262%0.6259%0.586SS**SBendtrans-83.1143.6167.733.30000110.4S398S398-T400 VanDerWaalsContact C-N 3.3Å; S398-T400 PolarHBondContact OG-N 3.46Å; S398-T400 PolarHBondContact OG-O 2.89Å; S398-T400 PolarHBondContact OG-OG1 2.92Å
401P38.3Very low57Low109 Ų109111.5 Ų111.571%0.70859%0.586SS**PPolyproline II helixtrans-57.5151.7166.927.2-34.3000109.9R403P401-R403 PolarHBondContact O-N 2.87Å
402P44.5Very low56.6Low121 Ų121114.3 Ų114.379%0.78661%0.606SS**PPolyproline II helixtrans-57131.8177.624.8-33.8000109.5M404P402-M404 PolarHBondContact O-N 2.89Å; P402-M404 VanDerWaalsContact O-N 3.15Å
403R44.4Very low56.4Low248 Ų248112.1 Ų112.194%0.93660%0.596SS**PPolyproline II helixtrans-59.6120.6175-71.9-178.2176.2175.7-2.6108.2P401 S405P401-R403 PolarHBondContact O-N 2.87Å; R403-S405 PolarHBondContact O-N 2.77Å
404M48.4Very low56.3Low156 Ų156115.1 Ų115.177%0.76861%0.608SS**PPolyproline II helixtrans-60135.8162.2-64.9-174.471.400107.5P402P402-M404 PolarHBondContact O-N 2.89Å; P402-M404 VanDerWaalsContact O-N 3.15Å
405S62.2Low55.9Low45 Ų45115.7 Ų115.732%0.31561%0.614SS.*PPolyproline II helixtrans-60.2141.2175.344.10000109.5N282 R403N282-S405 PolarHBondContact ND2-O 2.83Å; N282-S405 PolarHBondContact ND2-OG 2.94Å; R403-S405 PolarHBondContact O-N 2.77Å
406E70.3Confident55.5Low169 Ų169112.5 Ų112.579%0.7961%0.611SS**PPolyproline II helixtrans-73.6142.7178.4-65.8-175.9173.800109.9R34R34-E406 PolarHBondContact NH2-O 3.26Å
407P76.9Confident55.3Low63 Ų63115.5 Ų115.541%0.40962%0.62SS.*PPolyproline II helixtrans-59.4145.6170.6-19.731.5000110.7N282N282-P407 HydrophobicContact CB-CG 4.21Å
408F80.9Confident55Low17 Ų17112.3 Ų112.38%0.07562%0.618CS.*PPolyproline II helixtrans-65.8130.6174-63.5-59.6000109.7W11 L13 R34 V50 Q284 I286 V299 A410W11-F408 HydrophobicContact CZ2-CB 4.47Å; L13-F408 HydrophobicContact CD1-CB 4.21Å; L13-F408 HydrophobicContact CD1-CD1 4.17Å; L13-F408 HydrophobicContact CD1-CG 4.13Å; L13-F408 HydrophobicContact CD2-CD1 4.11Å; L13-F408 HydrophobicContact CD2-CD2 3.85Å; L13-F408 HydrophobicContact CD2-CE1 4.08Å; L13-F408 HydrophobicContact CD2-CE2 3.78Å; L13-F408 HydrophobicContact CD2-CG 4Å; L13-F408 HydrophobicContact CD2-CZ 3.9Å; R34-F408 VanDerWaalsContact CZ-CZ 3.5Å; V50-F408 HydrophobicContact CB-CZ 4.22Å; V50-F408 HydrophobicContact CG1-CE2 3.98Å; V50-F408 HydrophobicContact CG1-CZ 3.77Å; Q284-F408 PolarHBondContact NE2-O 3.09Å; I286-F408 HydrophobicContact CD1-CE2 3.82Å; I286-F408 HydrophobicContact CG1-CE2 4.35Å; V299-F408 HydrophobicContact CG2-CB 4.35Å; V299-F408 HydrophobicContact CG2-CD2 3.72Å; V299-F408 HydrophobicContact CG2-CE2 4.45Å; V299-F408 HydrophobicContact CG2-CG 4.35Å; F408-A410 PolarHBondContact O-N 2.82Å
409P75.6Confident54.2Low112 Ų112113.3 Ų113.373%0.72763%0.63SS**PPolyproline II helixtrans-64.9131.9-179.426.2-33.6000110.3
410A75.2Confident53.8Low30 Ų30108.9 Ų108.925%0.24863%0.631CS.*PPolyproline II helixtrans-78.5132.4174.600000109.6T7 W11 F408T7-A410 HydrophobicContact CG2-CB 4.09Å; W11-A410 HydrophobicContact CE3-CB 4.23Å; W11-A410 HydrophobicContact CH2-CB 3.45Å; W11-A410 VanDerWaalsContact CH2-CB 3.45Å; W11-A410 HydrophobicContact CZ2-CB 3.91Å; W11-A410 HydrophobicContact CZ3-CB 3.63Å; F408-A410 PolarHBondContact O-N 2.82Å
411P77.7Confident53.6Low42 Ų42107 Ų10727%0.27363%0.631SS.*PPolyproline II helixtrans-66.8150.8175.128.9-34.5000110.7T7 K8 W11T7-P411 WeakPolarHBondContact CA-O 2.91Å; K8-P411 HydrophobicContact CD-CG 4.22Å; K8-P411 PolarHBondContact N-O 3.31Å; K8-P411 VanDerWaalsContact N-O 3.17Å; W11-P411 HydrophobicContact CB-CG 3.98Å; W11-P411 HydrophobicContact CD2-CG 4.35Å; W11-P411 HydrophobicContact CG-CG 3.9Å
412P70Confident53.3Low77 Ų77113.5 Ų113.550%0.564%0.642SS.*BIsolated β-bridgetrans-61.9154.9172.528.2-35000111.4K8 D414K8-P412 WeakPolarHBondContact CE-O 3.43Å; K8-P412 PolarHBondContact NZ-O 2.97Å; P412-D414 PolarHBondContact O-N 2.86Å
413E60Low52.6Low81 Ų81116.8 Ų116.838%0.37965%0.647SS.*  trans-78.1100.2165.6-71.3175-173.900109.7S6 K8 R304 E415S6-E413 VanDerWaalsContact CB-CD 3.5Å; S6-E413 WeakPolarHBondContact CB-OE2 3.41Å; S6-E413 WeakPolarHBondContact O-CB 3.45Å; S6-E413 WeakPolarHBondContact O-CG 3.32Å; S6-E413 PolarHBondContact O-N 3.28Å; S6-E413 PolarHBondContact OG-OE2 3.46Å; K8-E413 HydrophobicContact CG-CG 3.76Å; R304-E413 IonicContact NH2-OE1 2.57Å; R304-E413 PolarHBondContact NH2-OE1 2.97Å; E413-E415 PolarHBondContact O-N 3.2Å
414D50.8Low51.8Low122 Ų122113.6 Ų113.665%0.65265%0.647SS**  trans-65.7126.4171-48.5-77.9000110.6K8 P412 S416K8-D414 IonicContact NZ-OD2 2.65Å; K8-D414 PolarHBondContact NZ-OD2 3.15Å; P412-D414 PolarHBondContact O-N 2.86Å; D414-S416 PolarHBondContact O-N 3.46Å
415E41.7Very low50.8Low188 Ų188115.1 Ų115.188%0.87965%0.65SS**  trans-7297.8176.6-74.1-164.7143.600112.2E413E413-E415 PolarHBondContact O-N 3.2Å
416S34.9Very low49.2Very low106 Ų106119.9 Ų119.974%0.74167%0.672SS**  trans70.4147.4159.378.40000118.9D414 A418D414-S416 PolarHBondContact O-N 3.46Å; S416-A418 PolarHBondContact O-N 3.26Å
417V38.5Very low47.2Very low151 Ų151120.2 Ų120.292%0.91568%0.675SS**SBendtrans-90101.4-179.9178.70000110
418A34.9Very low44.7Very low94 Ų94125.4 Ų125.478%0.77770%0.696SS**  trans-152.829.1179.300000116.6S416S416-A418 PolarHBondContact O-N 3.26Å
419A30.3Very low42.2Very low96 Ų96131.4 Ų131.479%0.79373%0.728SS**  trans-132.1-1.4-17400000117.8G421A419-G421 VanDerWaalsContact C-N 3.29Å; A419-G421 PolarHBondContact O-N 2.84Å
420V34.7Very low39.9Very low158 Ų158132.2 Ų132.296%0.95873%0.734SS**  trans-80.477.5175.3-174.50000109.4
421G34.3Very low37.4Very low61 Ų61135.5 Ų135.563%0.62976%0.755SS**  trans-163.215.7-164.600000118.9A419A419-G421 VanDerWaalsContact C-N 3.29Å; A419-G421 PolarHBondContact O-N 2.84Å
422R31.9Very low35.7Very low246 Ų246138.8 Ų138.893%0.92878%0.776SS**SBendtrans-163.9161.4167.3-107.2145.1-166.9-1552.1112.7
423Q30.5Very low33.6Very low191 Ų191140.4 Ų140.489%0.89378%0.781SS**  trans62.361.7173.5-67.6-177.2-30.100117.2
424L28.4Very low32.1Very low181 Ų181144.2 Ų144.295%0.94880%0.796SS**  trans-121.782.6138.4-95.3171.9000109.3
425K27.4Very low31Very low188 Ų188146.7 Ų146.782%0.81780%0.803SS**  trans-145.7151.6160.9-100-168.4174.3-173.60107.5
426D29Very low30.2Very low145 Ų145146.6 Ų146.678%0.77580%0.803SS**  trans73.5131.8-172.9-49.1-21.5000114.1
427M27.7Very low29.7Very low176 Ų176145.7 Ų145.787%0.86780%0.802SS**  cis-148.6159.4-11.2-116.217575.100109.8
428M25.1Very low30Very low172 Ų172144 Ų14485%0.84779%0.794SS**  trans-93.3140.3-175.7-154.61677600111.8
429L26.7Very low30.1Very low143 Ų143145.1 Ų145.175%0.74979%0.794SS**  trans13.2138.8157.5-81.8160.9000120
430P27.5Very low29.9Very low129 Ų129148.4 Ų148.484%0.83880%0.797SS**  -142.6159.491.338.7-25.2000117.5
431S23.8Very low29.6Very low99 Ų99145.9 Ų145.969%0.69279%0.792SS**  trans-114.7178.5157.263.20000107.7
432P41.8Very low29Very low111 Ų111149.1 Ų149.172%0.72180%0.8SS**  cis-122-153.313.238.9-16000111.5
433D26.2Very low28.8Very low111 Ų111142 Ų14259%0.59479%0.789SS**  cis-166.4152.933.9-148.512.8000116.1
434K27.2Very low28.6Very low160 Ų160139 Ų13970%0.69678%0.783SS**  trans22.1123.2156.1-67.9158.2-1601300123.5
435Q27.9Very low28.9Very low174 Ų174135.9 Ų135.981%0.81377%0.774SS**  166.5124.3110.9-91.1163.123.300109.4
436Q26.5Very low28.9Very low186 Ų186132.9 Ų132.987%0.86977%0.771SS**  98.6139.160.7-166168.29.700112.1
437A23.7Very low28.9Very low87 Ų87135.2 Ų135.272%0.71978%0.777SS**  trans-151.1177.8-16500000111.2
438P44.5Very low28.7Very low117 Ų117135.7 Ų135.776%0.7677%0.769SS**  cis-106.6-105.2-6.624.1-0.3000111.5
439P36.8Very low28.9Very low117 Ų117134.1 Ų134.176%0.7677%0.769SS**  cis-106.1-1411.443.8-33.9000113.1
440L25.9Very low28.9Very low164 Ų164133.3 Ų133.386%0.85976%0.761SS**  trans-126.1149.1173.1-59.683.8000111.1
441A27.9Very low30.1Very low105 Ų105132.3 Ų132.387%0.86876%0.755SS**  trans-160.7150.7152.100000112.9
442T23.6Very low30.3Very low130 Ų130134 Ų13480%0.79876%0.761SS**  trans-69.3161.1-17141.10000118.5
443S26.9Very low29.7Very low97 Ų97134.7 Ų134.768%0.67876%0.763SS**  trans71.3116.4146.154.20000122.4
444T26.5Very low29.8Very low128 Ų128135.1 Ų135.179%0.78577%0.77SS**  9.8149.312956.80000120.1
445P35.3Very low29.9Very low114 Ų114131.7 Ų131.774%0.7477%0.771SS**  cis-151.7166.63841.1-19.9000120.6
446V27.5Very low29.9Very low125 Ų125129.6 Ų129.676%0.75877%0.769SS**  trans35120.6140.6-176.40000122.7R448V446-R448 HydrophobicContact CG1-CB 4.21Å
447Q27.1Very low29.9Very low195 Ų195126.3 Ų126.391%0.91176%0.763SS**  trans-153.8139.2133.1-90.8179.9-3.400107
448R25.5Very low30.3Very low185 Ų185131.4 Ų131.470%0.69877%0.768SS**  cis8889.45.5-158.9-170.8-164.8163.38.5119.2V446 E450V446-R448 HydrophobicContact CG1-CB 4.21Å; R448-E450 HydrophobicContact CG-CG 4.45Å; R448-E450 IonicContact CZ-OE1 3.61Å; R448-E450 IonicContact NE-OE1 2.81Å; R448-E450 PolarHBondContact NE-OE1 3.13Å; R448-E450 IonicContact NH2-OE1 3.44Å; R448-E450 PolarHBondContact NH2-OE1 2.84Å
449V27.5Very low29.8Very low139 Ų139132.1 Ų132.184%0.84277%0.773SS**  -153.7131125.3-173.90000105.1
450E27.3Very low29.3Very low127 Ų127132 Ų13259%0.59377%0.774SS**  cis98.2146.626-75-156.5-134.600117.2R448R448-E450 HydrophobicContact CG-CG 4.45Å; R448-E450 IonicContact CZ-OE1 3.61Å; R448-E450 IonicContact NE-OE1 2.81Å; R448-E450 PolarHBondContact NE-OE1 3.13Å; R448-E450 IonicContact NH2-OE1 3.44Å; R448-E450 PolarHBondContact NH2-OE1 2.84Å
451P53.5Low29.3Very low107 Ų107129.2 Ų129.270%0.69577%0.768SS**  trans-133.6-164.6-146.643.6-25000114.9
452T27.8Very low29.6Very low135 Ų135129.9 Ų129.983%0.82876%0.764SS**  trans-163.8154164.7-8.60000109.1
453V29.7Very low30.1Very low126 Ų126127.9 Ų127.976%0.76476%0.76SS**  cis-137.2176.61.7-145.40000105.5
454V27.6Very low30.8Very low120 Ų120129.7 Ų129.773%0.72777%0.769SS**  cis-146.5133.913.1-165.70000105.1
455A28Very low30.8Very low87 Ų87127.3 Ų127.372%0.71977%0.771SS**  61.5142.770.300000114.6
456V28.3Very low30.5Very low130 Ų130126.8 Ų126.879%0.78877%0.769SS**  cis-135167.521.6177.10000112.8
457T27Very low30.5Very low118 Ų118129.7 Ų129.772%0.72478%0.775SS**  trans-62.3157.8-174.446.50000117
458K32.3Very low30.7Very low194 Ų194125.6 Ų125.684%0.84377%0.768SS**  65.7149.654.6-90.3-175.7-178.4-179.40113.8
459P33.7Very low30.9Very low132 Ų132121.1 Ų121.186%0.85777%0.77SS**  cis-132.8-140.836.742.6-23.5000116
460C25.8Very low31.6Very low114 Ų114120.4 Ų120.477%0.7777%0.768SS**  trans-150161.8-158.1-170.60000115.1
461S26.5Very low32.5Very low106 Ų106119.4 Ų119.474%0.74177%0.773SS**  trans71.5164.3167.284.50000117.8
462P35.3Very low31.5Very low119 Ų119120.6 Ų120.677%0.77378%0.779SS**  cis-127.6-170.4-22.939.2-22.7000112.8
463A33.8Very low31.7Very low87 Ų87126 Ų12672%0.71978%0.784SS**  trans-85.2162.3155.600000109.7
464P40.8Very low32.2Very low135 Ų135125.1 Ų125.188%0.87778%0.781SS**  cis-132.8-170.62043.5-26.5000114.8
465G26Very low33Very low79 Ų79124.9 Ų124.981%0.81478%0.781SS**  trans170.3149168.700000112.9
466S29Very low33.7Very low102 Ų102125.6 Ų125.671%0.71378%0.779SS**  trans-138.9172.7-177650000112.8
467Q28.6Very low34Very low187 Ų187127.2 Ų127.287%0.87478%0.782SS**  trans81.7148179-47.7171.639.300113.9
468S30.6Very low34.7Very low109 Ų109126.9 Ų126.976%0.76278%0.782SS**  cis-144.4145.21455.30000115.1
469A29.7Very low34.9Very low91 Ų91128.7 Ų128.775%0.75278%0.783SS**  trans32.7159.2133.400000123.7
470P42Very low35.1Very low123 Ų123129 Ų12980%0.79978%0.783SS**  cis-125.9-122.5-13.227.3-0.7000113.8
471P47.4Very low35.7Very low106 Ų106130.1 Ų130.169%0.68878%0.78SS**  -129.4-170-122.539.2-17.8000117.8
472T32.8Very low36.2Very low133 Ų133131 Ų13182%0.81678%0.783SS**  trans100.298.4160.565.30000121.6
473R31Very low36.3Very low249 Ų249130.5 Ų130.594%0.9478%0.782SS**  trans49.5155.1140.5-91.6-159.6160.3-169.9-5123.7
474P40.8Very low37.1Very low107 Ų107132 Ų13270%0.69579%0.787SS**  trans-99.6-168.7-170.446.1-41000112
475P43Very low37.3Very low115 Ų115136.3 Ų136.375%0.74779%0.786SS**  cis-135.1-147.26.247.4-28.2000111.7
476P43.1Very low38.3Very low102 Ų102140.7 Ų140.766%0.66279%0.791SS**  cis-132.9-173-19.442.4-25.9000115.2
477L34.4Very low39Very low163 Ų163144.2 Ų144.285%0.85380%0.796SS**  trans70.8161.1160.1-65.2171.7000119
478P42.6Very low39.8Very low111 Ų111140.4 Ų140.472%0.72179%0.787SS**  cis-116.3176.2-11.438.9-26.1000114.2
479R36Very low40.5Very low232 Ų232143.9 Ų143.988%0.87580%0.797SS**  trans-70.3141.2171.2-73.8173.3167.6162.5-6.4111.7
480V38.1Very low41.7Very low140 Ų140143.1 Ų143.185%0.84880%0.798SS**  trans-113.8134.1155.11780000108
481I38.8Very low42.1Very low137 Ų137142.9 Ų142.970%0.70379%0.789SS**  trans-105.6124.8-174.1-59.9169.9000108.7S483I481-S483 PolarHBondContact O-N 3.16Å
482P37.4Very low42.4Very low124 Ų124143.1 Ų143.181%0.80578%0.784SS**PPolyproline II helixtrans-63.7118.1167.2-1932.4000110S484P482-S484 PolarHBondContact O-N 2.95Å
483S36.9Very low43.2Very low109 Ų109142 Ų14276%0.76278%0.777SS**PPolyproline II helixtrans-72.6124.8-178.557.60000111.6I481 R485I481-S483 PolarHBondContact O-N 3.16Å; S483-R485 PolarHBondContact O-N 2.98Å
484S49.5Very low44.3Very low118 Ų118133.5 Ų133.583%0.82576%0.76SS**PPolyproline II helixtrans-65.7116173.141.10000111.4P482P482-S484 PolarHBondContact O-N 2.95Å
485R45.8Very low45.2Very low226 Ų226134.2 Ų134.285%0.85376%0.758SS**  trans-155.165.4171.8-163.9177.1178.4168.80.3112.6S483S483-R485 PolarHBondContact O-N 2.98Å
486N47.3Very low45.7Very low170 Ų170135.9 Ų135.991%0.90975%0.754SS**  trans-165.951.7160.5-100.6-13.6000111.6
487E43.8Very low46Very low177 Ų177136.5 Ų136.583%0.82775%0.751SS**  trans-120.1133.1165.8-71.1-175.1145.800109.3
488P44Very low46.6Very low106 Ų106134.7 Ų134.769%0.68875%0.749SS**  trans-76.5125.7173.130.8-32.1000110.2G490P488-G490 PolarHBondContact O-N 3.29Å
489L45.3Very low46.8Very low183 Ų183134.6 Ų134.696%0.95875%0.751SS**THydrogen-bonded Turntrans-64.3117.7175.5-79.2163.8000111
490G55.4Low47.5Very low75 Ų75129.7 Ų129.777%0.77375%0.749SS**THydrogen-bonded Turntrans98.115.5160.500000117.9P488P488-G490 PolarHBondContact O-N 3.29Å
491L50.8Low47.6Very low118 Ų118127.6 Ų127.662%0.61875%0.746SS**  trans-132.4102.8171.5-70.1171.6000111F496L491-F496 HydrophobicContact CD2-CE2 3.92Å; L491-F496 HydrophobicContact CD2-CZ 4Å
492N52.7Low47.6Very low110 Ų110125.9 Ų125.959%0.58875%0.746SS**  trans-75.9126.3171.2-98.8-39.8000109.5A494 D495 F496N492-A494 PolarHBondContact O-N 3.3Å; N492-D495 WeakPolarHBondContact CB-OD2 3.44Å; N492-D495 WeakPolarHBondContact O-CB 3.46Å; N492-D495 PolarHBondContact O-N 2.88Å; N492-F496 WeakPolarHBondContact O-CD2 3.43Å
493V50.1Low47.9Very low111 Ų111128.2 Ų128.267%0.67375%0.746SS**G310 helixtrans-61-27.5175-178.10000111.4D495 F496 L497V493-D495 VanDerWaalsContact C-N 3.27Å; V493-D495 PolarHBondContact O-N 3.11Å; V493-F496 PolarHBondContact O-N 2.83Å; V493-L497 HydrophobicContact CG1-CD1 4.47Å
494A54.9Low48.2Very low70 Ų70135.2 Ų135.258%0.57976%0.756SS**G310 helixtrans-63-27.117400000113.9N492 F496 L497N492-A494 PolarHBondContact O-N 3.3Å; A494-F496 PolarHBondContact O-N 3.42Å; A494-L497 PolarHBondContact O-N 3.2Å
495D59.1Low47.8Very low121 Ų121133.1 Ų133.165%0.64775%0.753SS**G310 helixtrans-73-14.5178.7-58.2-19.6000112.1N492 V493N492-D495 WeakPolarHBondContact CB-OD2 3.44Å; N492-D495 WeakPolarHBondContact O-CB 3.46Å; N492-D495 PolarHBondContact O-N 2.88Å; V493-D495 VanDerWaalsContact C-N 3.27Å; V493-D495 PolarHBondContact O-N 3.11Å
496F54.1Low48Very low151 Ų151125.9 Ų125.966%0.66275%0.749SS**G310 helixtrans-106.27.3180-65-88.8000113.3L491 N492 V493 A494L491-F496 HydrophobicContact CD2-CE2 3.92Å; L491-F496 HydrophobicContact CD2-CZ 4Å; N492-F496 WeakPolarHBondContact O-CD2 3.43Å; V493-F496 PolarHBondContact O-N 2.83Å; A494-F496 PolarHBondContact O-N 3.42Å
497L48.1Very low48.1Very low115 Ų115122.5 Ų122.560%0.60275%0.745SS**SBendtrans-115.2135177.6-66.9175.1000110.5V493 A494 S499V493-L497 HydrophobicContact CG1-CD1 4.47Å; A494-L497 PolarHBondContact O-N 3.2Å; L497-S499 PolarHBondContact O-N 2.82Å; L497-S499 VanDerWaalsContact O-N 3.16Å
498P47.5Very low48.8Very low125 Ų125120.2 Ų120.281%0.81274%0.737SS**  trans-60.8118.8175.2-23.334000111.4
499S48Very low50.2Low108 Ų108119.8 Ų119.876%0.75573%0.733SS**  trans-67.7134.1-179.7-173.30000111.4L497 A501L497-S499 PolarHBondContact O-N 2.82Å; L497-S499 VanDerWaalsContact O-N 3.16Å; S499-A501 VanDerWaalsContact C-N 3.31Å; S499-A501 PolarHBondContact O-N 3.42Å
500P49.4Very low51.7Low129 Ų129117.5 Ų117.584%0.83872%0.722SS**  trans-78.373.8-173.432.5-36.6000112.5
501A41.5Very low52.6Low96 Ų96120 Ų12079%0.79372%0.717SS**  trans-75.6129.1171.600000111.3S499S499-A501 VanDerWaalsContact C-N 3.31Å; S499-A501 PolarHBondContact O-N 3.42Å
502S38.4Very low53.9Low101 Ų101115.6 Ų115.671%0.70670%0.7SS**  trans-85.5129.7-174.5-169.30000113.4
503H43Very low55Low174 Ų174112.1 Ų112.181%0.80669%0.687SS**SBendtrans66.5136.4164.9-69.3-56000121.2
504R43.6Very low56.3Low255 Ų255111.2 Ų111.296%0.96268%0.678SS**  trans6773162.1-64.6-172179.3-141.60.5117.7
505G41Very low57.3Low75 Ų75110.7 Ų110.777%0.77367%0.673SS**  trans-139.8152.9148.900000109.2
506G49.6Very low58.2Low74 Ų74111.5 Ų111.576%0.76367%0.674SS**  trans-66.5165.1167.500000110.8L508G506-L508 PolarHBondContact O-N 3.23Å
507A50.1Low59.3Low99 Ų99109.5 Ų109.582%0.81867%0.669SS**  trans-54129.1168.100000108.9T509A507-T509 PolarHBondContact O-N 2.68Å
508L58.8Low60.6Low128 Ų128107.4 Ų107.467%0.6766%0.658SS**  trans-56.7115.4172.9-81.8161.9000107.5G506G506-L508 PolarHBondContact O-N 3.23Å
509T72.7Confident62.2Low97 Ų97109.7 Ų109.760%0.59566%0.655SS**  trans-61.5149.1171.448.60000108.9A507 D511 G512 A513A507-T509 PolarHBondContact O-N 2.68Å; T509-D511 PolarHBondContact O-N 2.8Å; T509-D511 VanDerWaalsContact O-N 3.09Å; T509-G512 WeakPolarHBondContact O-CA 3.13Å; T509-G512 PolarHBondContact O-N 2.72Å; T509-A513 PolarHBondContact O-N 3.04Å; T509-A513 VanDerWaalsContact O-N 3.08Å
510D76.4Confident63.6Low136 Ų136107.7 Ų107.773%0.72765%0.651SS**Hα-helixtrans-54.7-34.2-179.9-58.8-50.7000111.6A513 L514D510-A513 PolarHBondContact O-N 3.42Å; D510-L514 WeakPolarHBondContact O-CB 3.44Å; D510-L514 VanDerWaalsContact O-CG 3.23Å; D510-L514 WeakPolarHBondContact O-CG 3.3Å; D510-L514 PolarHBondContact O-N 3.13Å
511D75.2Confident65.3Low127 Ų127106 Ų10668%0.67963%0.632SS**Hα-helixtrans-60.5-40.3173.2-165.660.5000113.2T509 L514 A515T509-D511 PolarHBondContact O-N 2.8Å; T509-D511 VanDerWaalsContact O-N 3.09Å; D511-L514 PolarHBondContact O-N 3.35Å; D511-A515 VanDerWaalsContact O-CB 3.31Å; D511-A515 WeakPolarHBondContact O-CB 3.44Å; D511-A515 PolarHBondContact O-N 2.85Å
512G77.3Confident67.3Low25 Ų25105.9 Ų105.926%0.25862%0.618SS.*Hα-helixtrans-69.9-37.5174.400000113T509 A515 Q516T509-G512 WeakPolarHBondContact O-CA 3.13Å; T509-G512 PolarHBondContact O-N 2.72Å; G512-A515 PolarHBondContact O-N 3.02Å; G512-Q516 PolarHBondContact O-N 3.25Å
513A77.1Confident69.6Low37 Ų37106.4 Ų106.431%0.30662%0.617SS.*Hα-helixtrans-66.7-43172.900000111.5T509 D510 Q516 I517T509-A513 PolarHBondContact O-N 3.04Å; T509-A513 VanDerWaalsContact O-N 3.08Å; D510-A513 PolarHBondContact O-N 3.42Å; A513-Q516 PolarHBondContact O-N 2.98Å; A513-I517 WeakPolarHBondContact O-CG1 3.42Å; A513-I517 PolarHBondContact O-N 2.82Å
514L76.4Confident71.6Confident92 Ų92103.4 Ų103.448%0.48261%0.605SS.*Hα-helixtrans-62.9-41.9174-74.4168.1000111.8D510 D511 Q516 I517 N518D510-L514 WeakPolarHBondContact O-CB 3.44Å; D510-L514 VanDerWaalsContact O-CG 3.23Å; D510-L514 WeakPolarHBondContact O-CG 3.3Å; D510-L514 PolarHBondContact O-N 3.13Å; D511-L514 PolarHBondContact O-N 3.35Å; L514-Q516 VanDerWaalsContact C-N 3.29Å; L514-Q516 PolarHBondContact O-N 3.35Å; L514-I517 PolarHBondContact O-N 3.35Å; L514-N518 VanDerWaalsContact O-CB 3.32Å; L514-N518 WeakPolarHBondContact O-CB 3.37Å; L514-N518 VanDerWaalsContact O-CG 3.24Å; L514-N518 PolarHBondContact O-N 2.79Å; L514-N518 PolarHBondContact O-ND2 3.35Å
515A76.6Confident73.7Confident59 Ų5993.9 Ų93.949%0.48858%0.577SS.*Hα-helixtrans-61-38173.800000112.1D511 G512 K519D511-A515 VanDerWaalsContact O-CB 3.31Å; D511-A515 WeakPolarHBondContact O-CB 3.44Å; D511-A515 PolarHBondContact O-N 2.85Å; G512-A515 PolarHBondContact O-N 3.02Å; A515-K519 WeakPolarHBondContact O-CB 3.42Å; A515-K519 PolarHBondContact O-N 3.26Å
516Q77.1Confident76Confident139 Ų13995.2 Ų95.265%0.6557%0.57SS**Hα-helixtrans-71.1-34175.8-172.1169.2-10.100112.9G512 A513 L514G512-Q516 PolarHBondContact O-N 3.25Å; A513-Q516 PolarHBondContact O-N 2.98Å; L514-Q516 VanDerWaalsContact C-N 3.29Å; L514-Q516 PolarHBondContact O-N 3.35Å
517I76.7Confident77.8Confident109 Ų10997.9 Ų97.956%0.55956%0.564SS**Hα-helixtrans-72.3-43174.4-69.2164.2000111.5A513 L514 K519 H521A513-I517 WeakPolarHBondContact O-CG1 3.42Å; A513-I517 PolarHBondContact O-N 2.82Å; L514-I517 PolarHBondContact O-N 3.35Å; I517-K519 VanDerWaalsContact C-N 3.27Å; I517-K519 PolarHBondContact O-N 3.32Å; I517-H521 PolarHBondContact O-ND1 3.07Å
518N77.3Confident79.7Confident71 Ų7197.7 Ų97.738%0.3855%0.549SS..Hα-helixtrans-67.7-26.7-178.7-74-31000112.8L514 G520 H521L514-N518 VanDerWaalsContact O-CB 3.32Å; L514-N518 WeakPolarHBondContact O-CB 3.37Å; L514-N518 VanDerWaalsContact O-CG 3.24Å; L514-N518 PolarHBondContact O-N 2.79Å; L514-N518 PolarHBondContact O-ND2 3.35Å; N518-G520 PolarHBondContact O-N 2.92Å; N518-H521 WeakPolarHBondContact O-CB 3.49Å; N518-H521 PolarHBondContact O-N 2.84Å
519K79.2Confident81.2Confident173 Ų17394.4 Ų94.475%0.75254%0.536SS*.THydrogen-bonded Turntrans-53.8102.2-175.9-171.2175.7-176.3177.80112.8A515 I517A515-K519 WeakPolarHBondContact O-CB 3.42Å; A515-K519 PolarHBondContact O-N 3.26Å; I517-K519 VanDerWaalsContact C-N 3.27Å; I517-K519 PolarHBondContact O-N 3.32Å
520G77.4Confident82.1Confident65 Ų6592 Ų9267%0.6752%0.523SS*.THydrogen-bonded Turntrans96-8.1-179.500000114.7N518 D522N518-G520 PolarHBondContact O-N 2.92Å; G520-D522 PolarHBondContact N-OD2 3.4Å
521H86Confident82.9Confident94 Ų9489 Ų8944%0.43550%0.502SS..THydrogen-bonded Turntrans-90.5-8.8171.3-66.6109.7000113I517 N518 T523 M524 C525I517-H521 PolarHBondContact O-ND1 3.07Å; N518-H521 WeakPolarHBondContact O-CB 3.49Å; N518-H521 PolarHBondContact O-N 2.84Å; H521-T523 VanDerWaalsContact C-N 3.31Å; H521-T523 PolarHBondContact O-N 2.99Å; H521-M524 CarbonylContact O-C 3.6Å; H521-M524 WeakPolarHBondContact O-CA 3.32Å; H521-M524 VanDerWaalsContact O-CB 3.3Å; H521-M524 WeakPolarHBondContact O-CB 3.48Å; H521-M524 PolarHBondContact O-N 3.22Å; H521-C525 PolarHBondContact O-N 2.86Å; H521-C525 PolarHBondContact O-SG 3.04Å
522D83.4Confident83.8Confident94 Ų9488.5 Ų88.550%0.50350%0.495SS..Hα-helixtrans-48.3-47.8-175.8-52.4-79.6000113.4G520 M524 C525 V526G520-D522 PolarHBondContact N-OD2 3.4Å; D522-M524 VanDerWaalsContact C-N 3.32Å; D522-M524 PolarHBondContact O-N 3.32Å; D522-C525 PolarHBondContact O-N 2.66Å; D522-V526 WeakPolarHBondContact O-CG2 3.4Å; D522-V526 PolarHBondContact O-N 3.18Å
523T86.3Confident84.6Confident111 Ų11194.1 Ų94.168%0.68151%0.509SS*.Hα-helixtrans-61.8-37.6176.9-48.20000112.4H521 M527H521-T523 VanDerWaalsContact C-N 3.31Å; H521-T523 PolarHBondContact O-N 2.99Å; T523-M527 WeakPolarHBondContact O-CB 3.41Å; T523-M527 VanDerWaalsContact O-CG 3.23Å; T523-M527 WeakPolarHBondContact O-CG 3.42Å; T523-M527 PolarHBondContact O-N 3.18Å
524M86.1Confident85.4Confident111 Ų11194.1 Ų94.155%0.54750%0.504SS..Hα-helixtrans-69.8-43.3175.5-168.9-171.2-62.600110.8H521 D522 V526 M527 L528H521-M524 CarbonylContact O-C 3.6Å; H521-M524 WeakPolarHBondContact O-CA 3.32Å; H521-M524 VanDerWaalsContact O-CB 3.3Å; H521-M524 WeakPolarHBondContact O-CB 3.48Å; H521-M524 PolarHBondContact O-N 3.22Å; D522-M524 VanDerWaalsContact C-N 3.32Å; D522-M524 PolarHBondContact O-N 3.32Å; M524-V526 PolarHBondContact O-N 2.87Å; M524-M527 PolarHBondContact O-N 2.84Å; M524-L528 HydrophobicContact CG-CD1 3.85Å; M524-L528 HydrophobicContact CG-CG 4.22Å; M524-L528 WeakPolarHBondContact O-CB 3.25Å; M524-L528 VanDerWaalsContact O-CG 3.32Å; M524-L528 WeakPolarHBondContact O-CG 3.3Å; M524-L528 PolarHBondContact O-N 3.37Å; M524-L528 HydrophobicContact SD-CD1 4.24Å
525C86.8Confident86.3Confident56 Ų5692.5 Ų92.538%0.37850%0.495SS..Hα-helixtrans-61.3-41.2177.4-67.10000112.1H521 D522 S529H521-C525 PolarHBondContact O-N 2.86Å; H521-C525 PolarHBondContact O-SG 3.04Å; D522-C525 PolarHBondContact O-N 2.66Å; C525-S529 WeakPolarHBondContact O-CB 3.5Å; C525-S529 PolarHBondContact O-N 2.75Å; C525-S529 PolarHBondContact O-OG 2.86Å
526V89Confident87.1Confident103 Ų10395 Ų9562%0.62450%0.497SS*.Hα-helixtrans-64.4-47.3173.7171.20000111.3D522 M524 S529 S530D522-V526 WeakPolarHBondContact O-CG2 3.4Å; D522-V526 PolarHBondContact O-N 3.18Å; M524-V526 PolarHBondContact O-N 2.87Å; V526-S529 PolarHBondContact O-N 2.82Å; V526-S530 WeakPolarHBondContact O-CB 3.35Å; V526-S530 PolarHBondContact O-N 2.8Å
527M88.4Confident87.9Confident130 Ų13091.5 Ų91.564%0.6449%0.485SS*.Hα-helixtrans-62-46.1178.2-75.2-67-67.400112.4T523 M524 S530 R531T523-M527 WeakPolarHBondContact O-CB 3.41Å; T523-M527 VanDerWaalsContact O-CG 3.23Å; T523-M527 WeakPolarHBondContact O-CG 3.42Å; T523-M527 PolarHBondContact O-N 3.18Å; M524-M527 PolarHBondContact O-N 2.84Å; M527-S530 PolarHBondContact O-N 2.95Å; M527-R531 WeakPolarHBondContact O-CB 3.08Å; M527-R531 PolarHBondContact O-N 3.15Å
528L89.7Confident88.8Confident95 Ų9586.5 Ų86.550%0.49746%0.46SS..Hα-helixtrans-66.2-40.9178.2-70.8175000111.9M524 S530 R531 Q532M524-L528 HydrophobicContact CG-CD1 3.85Å; M524-L528 HydrophobicContact CG-CG 4.22Å; M524-L528 WeakPolarHBondContact O-CB 3.25Å; M524-L528 VanDerWaalsContact O-CG 3.32Å; M524-L528 WeakPolarHBondContact O-CG 3.3Å; M524-L528 PolarHBondContact O-N 3.37Å; M524-L528 HydrophobicContact SD-CD1 4.24Å; L528-S530 VanDerWaalsContact C-N 3.32Å; L528-S530 PolarHBondContact O-N 3.12Å; L528-R531 PolarHBondContact O-N 3Å; L528-Q532 VanDerWaalsContact O-CB 3.24Å; L528-Q532 WeakPolarHBondContact O-CB 3.44Å; L528-Q532 PolarHBondContact O-N 3.45Å
529S90.1Very high89.5Confident58 Ų5892 Ų9241%0.40648%0.475SS..Hα-helixtrans-64.9-36.2175.1-61.60000112.3C525 V526 R533C525-S529 WeakPolarHBondContact O-CB 3.5Å; C525-S529 PolarHBondContact O-N 2.75Å; C525-S529 PolarHBondContact O-OG 2.86Å; V526-S529 PolarHBondContact O-N 2.82Å; S529-R533 WeakPolarHBondContact O-CB 3.42Å; S529-R533 PolarHBondContact O-N 3.29Å
530S91.6Very high90.2Very high47 Ų4786.5 Ų86.533%0.32946%0.458SS..Hα-helixtrans-65.9-49.8173.4-161.80000111.2V526 M527 L528 Q532 R533 N534V526-S530 WeakPolarHBondContact O-CB 3.35Å; V526-S530 PolarHBondContact O-N 2.8Å; M527-S530 PolarHBondContact O-N 2.95Å; L528-S530 VanDerWaalsContact C-N 3.32Å; L528-S530 PolarHBondContact O-N 3.12Å; S530-Q532 VanDerWaalsContact C-N 3.33Å; S530-Q532 PolarHBondContact O-N 3.34Å; S530-R533 PolarHBondContact O-N 3.03Å; S530-N534 PolarHBondContact O-N 3.35Å
531R93.9Very high90.9Very high73 Ų7384.8 Ų84.828%0.27543%0.434SS..Hα-helixtrans-59-42.8176.8-164.1-174.4-175.2174.49111.8M527 L528 N534 L535 S561 I562 D565M527-R531 WeakPolarHBondContact O-CB 3.08Å; M527-R531 PolarHBondContact O-N 3.15Å; L528-R531 PolarHBondContact O-N 3Å; R531-N534 PolarHBondContact O-N 2.91Å; R531-L535 HydrophobicContact CG-CD1 4.21Å; R531-L535 WeakPolarHBondContact O-CB 3.31Å; R531-L535 VanDerWaalsContact O-CG 3.3Å; R531-L535 WeakPolarHBondContact O-CG 3.27Å; R531-L535 PolarHBondContact O-N 3.05Å; R531-S561 PolarHBondContact NE-OG 2.88Å; R531-S561 PolarHBondContact NH2-O 2.66Å; R531-I562 HydrophobicContact CB-CD1 4.39Å; R531-I562 HydrophobicContact CG-CD1 3.53Å; R531-D565 IonicContact CZ-OD1 3.71Å; R531-D565 IonicContact CZ-OD2 3.69Å; R531-D565 IonicContact NE-OD1 2.63Å; R531-D565 IonicContact NE-OD2 2.83Å; R531-D565 PolarHBondContact NE-OD2 2.82Å; R531-D565 IonicContact NH2-OD1 3.43Å; R531-D565 PolarHBondContact NH2-OD1 2.89Å; R531-D565 IonicContact NH2-OD2 3.69Å; R531-D565 PolarHBondContact NH2-OD2 3.43Å
532Q93.8Very high91.3Very high116 Ų11684 Ų8454%0.54243%0.428SS..Hα-helixtrans-61.9-43.5176.5-173.4-176.817.900111.9L528 S530 L535 Q536L528-Q532 VanDerWaalsContact O-CB 3.24Å; L528-Q532 WeakPolarHBondContact O-CB 3.44Å; L528-Q532 PolarHBondContact O-N 3.45Å; S530-Q532 VanDerWaalsContact C-N 3.33Å; S530-Q532 PolarHBondContact O-N 3.34Å; Q532-L535 PolarHBondContact O-N 3.13Å; Q532-Q536 WeakPolarHBondContact O-CB 3.08Å; Q532-Q536 VanDerWaalsContact O-CG 3.27Å; Q532-Q536 WeakPolarHBondContact O-CG 3.41Å; Q532-Q536 PolarHBondContact O-N 2.95Å
533R94.1Very high91.5Very high144 Ų14484.4 Ų84.454%0.54343%0.434SS..Hα-helixtrans-62.8-44175.9-170.1-173.4-60.7110.9-0.6111.5S529 S530 Q536 T537S529-R533 WeakPolarHBondContact O-CB 3.42Å; S529-R533 PolarHBondContact O-N 3.29Å; S530-R533 PolarHBondContact O-N 3.03Å; R533-Q536 WeakPolarHBondContact O-CB 3.37Å; R533-Q536 PolarHBondContact O-N 3.4Å; R533-T537 PolarHBondContact O-N 3.02Å; R533-T537 PolarHBondContact O-OG1 2.8Å
534N94.2Very high91.4Very high37 Ų3788.4 Ų88.420%0.19844%0.437CS..Hα-helixtrans-62.5-46176.5-71.3-3.5000111.4S530 R531 Q536 T537 V538 M557 I562S530-N534 PolarHBondContact O-N 3.35Å; R531-N534 PolarHBondContact O-N 2.91Å; N534-Q536 VanDerWaalsContact C-N 3.33Å; N534-Q536 PolarHBondContact O-N 2.98Å; N534-T537 WeakPolarHBondContact O-CB 3.45Å; N534-T537 PolarHBondContact O-N 2.92Å; N534-T537 VanDerWaalsContact O-N 3.16Å; N534-V538 WeakPolarHBondContact O-CG2 3.34Å; N534-V538 PolarHBondContact O-N 2.63Å; N534-M557 HydrophobicContact CB-SD 3.73Å; N534-I562 HydrophobicContact CB-CD1 3.53Å; N534-I562 HydrophobicContact CB-CG1 4.01Å
535L94.8Very high91.4Very high58 Ų5887.3 Ų87.330%0.30443%0.433SS..Hα-helixtrans-63.2-33.9174.7-71.9170000113.1R531 Q532 R539 I562 D565R531-L535 HydrophobicContact CG-CD1 4.21Å; R531-L535 WeakPolarHBondContact O-CB 3.31Å; R531-L535 VanDerWaalsContact O-CG 3.3Å; R531-L535 WeakPolarHBondContact O-CG 3.27Å; R531-L535 PolarHBondContact O-N 3.05Å; Q532-L535 PolarHBondContact O-N 3.13Å; L535-R539 WeakPolarHBondContact O-CB 3.19Å; L535-R539 PolarHBondContact O-N 3.29Å; L535-I562 HydrophobicContact CD2-CD1 4.16Å; L535-I562 HydrophobicContact CD2-CG2 4.09Å; L535-I562 HydrophobicContact CG-CD1 3.85Å; L535-D565 HydrophobicContact CD2-CB 3.91Å
536Q93.8Very high91.4Very high111 Ų11187.7 Ų87.752%0.51943%0.431SS..Hα-helixtrans-64.7-42172.3-76.8169.4-5.100111.4Q532 R533 N534 R539 S540Q532-Q536 WeakPolarHBondContact O-CB 3.08Å; Q532-Q536 VanDerWaalsContact O-CG 3.27Å; Q532-Q536 WeakPolarHBondContact O-CG 3.41Å; Q532-Q536 PolarHBondContact O-N 2.95Å; R533-Q536 WeakPolarHBondContact O-CB 3.37Å; R533-Q536 PolarHBondContact O-N 3.4Å; N534-Q536 VanDerWaalsContact C-N 3.33Å; N534-Q536 PolarHBondContact O-N 2.98Å; Q536-R539 PolarHBondContact O-N 2.79Å; Q536-S540 PolarHBondContact O-N 3.47Å
537T93.2Very high91.5Very high65 Ų6584.1 Ų84.140%0.39941%0.409SS..Hα-helixtrans-62-52.3174-59.70000111R533 N534 R539 S540 V541 M557R533-T537 PolarHBondContact O-N 3.02Å; R533-T537 PolarHBondContact O-OG1 2.8Å; N534-T537 WeakPolarHBondContact O-CB 3.45Å; N534-T537 PolarHBondContact O-N 2.92Å; N534-T537 VanDerWaalsContact O-N 3.16Å; T537-R539 VanDerWaalsContact C-N 3.31Å; T537-R539 PolarHBondContact O-N 2.74Å; T537-S540 PolarHBondContact O-N 2.7Å; T537-S540 PolarHBondContact O-OG 3.01Å; T537-V541 PolarHBondContact O-N 2.81Å; T537-V541 VanDerWaalsContact O-N 3.12Å; T537-M557 HydrophobicContact CG2-CE 3.58Å
538V95.1Very high91.7Very high5 Ų580.6 Ų80.63%0.0339%0.39CS..Hα-helixtrans-56-44.8176.7173.80000111.4N534 S540 V541 W542 A550 A554 M557 I562 V566N534-V538 WeakPolarHBondContact O-CG2 3.34Å; N534-V538 PolarHBondContact O-N 2.63Å; V538-S540 VanDerWaalsContact C-N 3.31Å; V538-S540 PolarHBondContact O-N 3.22Å; V538-V541 PolarHBondContact O-N 2.99Å; V538-W542 WeakPolarHBondContact O-CB 3.46Å; V538-W542 PolarHBondContact O-N 3.2Å; V538-A550 HydrophobicContact CG1-CB 4.37Å; V538-A554 HydrophobicContact CG2-CB 3.92Å; V538-M557 HydrophobicContact CG2-CE 3.7Å; V538-M557 HydrophobicContact CG2-SD 3.88Å; V538-I562 HydrophobicContact CG2-CG2 3.87Å; V538-V566 HydrophobicContact CG1-CG2 3.84Å
539R93.3Very high91.9Very high187 Ų18778.3 Ų78.371%0.70638%0.383SS*.Hα-helixtrans-60.6-38.6176.1-178.6178.2176.9-177.8-0112.3L535 Q536 T537 W542 T543L535-R539 WeakPolarHBondContact O-CB 3.19Å; L535-R539 PolarHBondContact O-N 3.29Å; Q536-R539 PolarHBondContact O-N 2.79Å; T537-R539 VanDerWaalsContact C-N 3.31Å; T537-R539 PolarHBondContact O-N 2.74Å; R539-W542 PolarHBondContact O-N 2.88Å; R539-T543 WeakPolarHBondContact O-CG2 3.45Å; R539-T543 PolarHBondContact O-N 2.85Å; R539-T543 PolarHBondContact O-OG1 2.92Å; R539-T543 VanDerWaalsContact O-OG1 3.13Å
540S92.8Very high92Very high56 Ų5675.6 Ų75.639%0.39236%0.363SS..Hα-helixtrans-68.9-36.3179.874.40000112.6Q536 T537 V538 T543 R544Q536-S540 PolarHBondContact O-N 3.47Å; T537-S540 PolarHBondContact O-N 2.7Å; T537-S540 PolarHBondContact O-OG 3.01Å; V538-S540 VanDerWaalsContact C-N 3.31Å; V538-S540 PolarHBondContact O-N 3.22Å; S540-T543 WeakPolarHBondContact CA-OG1 3.41Å; S540-T543 PolarHBondContact O-OG1 2.76Å; S540-R544 WeakPolarHBondContact O-CD 3.45Å; S540-R544 WeakPolarHBondContact O-CG 3.26Å
541V93.2Very high92.2Very high29 Ų2973.5 Ų73.518%0.17635%0.349CS..Hα-helixtrans-65.1-49.2169.7179.40000110.2T537 V538 T543 R544 D545 A550 A553T537-V541 PolarHBondContact O-N 2.81Å; T537-V541 VanDerWaalsContact O-N 3.12Å; V538-V541 PolarHBondContact O-N 2.99Å; V541-T543 PolarHBondContact O-N 2.67Å; V541-T543 VanDerWaalsContact O-N 3.15Å; V541-R544 PolarHBondContact O-N 3.07Å; V541-D545 HydrophobicContact CG1-CB 4.24Å; V541-D545 PolarHBondContact O-N 2.69Å; V541-A550 HydrophobicContact CB-CB 4.41Å; V541-A550 HydrophobicContact CG1-CB 4.13Å; V541-A553 HydrophobicContact CG2-CB 4.35Å
542W92.9Very high92.2Very high78 Ų7873.1 Ų73.130%0.29535%0.352SS..Hα-helixtrans-57.2-31.3178.2-167.7-65000113.4V538 R539 R544 V547 A550 V566 V570 L576V538-W542 WeakPolarHBondContact O-CB 3.46Å; V538-W542 PolarHBondContact O-N 3.2Å; R539-W542 PolarHBondContact O-N 2.88Å; W542-R544 VanDerWaalsContact C-N 3.34Å; W542-V547 HydrophobicContact CH2-CB 4.36Å; W542-V547 HydrophobicContact CH2-CG1 3.69Å; W542-V547 HydrophobicContact CH2-CG2 4Å; W542-V547 HydrophobicContact CZ2-CG1 4.33Å; W542-V547 HydrophobicContact CZ2-CG2 3.78Å; W542-V547 HydrophobicContact CZ3-CB 4.5Å; W542-V547 HydrophobicContact CZ3-CG1 3.86Å; W542-V547 HydrophobicContact CZ3-CG2 4.49Å; W542-A550 HydrophobicContact CB-CB 3.78Å; W542-A550 HydrophobicContact CD2-CB 4.2Å; W542-A550 HydrophobicContact CE3-CB 3.6Å; W542-A550 HydrophobicContact CG-CB 4.32Å; W542-V566 HydrophobicContact CZ3-CG1 3.93Å; W542-V570 HydrophobicContact CH2-CG2 3.77Å; W542-V570 HydrophobicContact CZ3-CG2 4.29Å; W542-L576 HydrophobicContact CH2-CD1 4.2Å; W542-L576 HydrophobicContact CZ2-CD1 3.94Å
543T89.1Confident92.2Very high103 Ų10368.5 Ų68.563%0.63233%0.334SS*.THydrogen-bonded Turntrans-82.8-5.117753.80000115.1R539 S540 V541R539-T543 WeakPolarHBondContact O-CG2 3.45Å; R539-T543 PolarHBondContact O-N 2.85Å; R539-T543 PolarHBondContact O-OG1 2.92Å; R539-T543 VanDerWaalsContact O-OG1 3.13Å; S540-T543 WeakPolarHBondContact CA-OG1 3.41Å; S540-T543 PolarHBondContact O-OG1 2.76Å; V541-T543 PolarHBondContact O-N 2.67Å; V541-T543 VanDerWaalsContact O-N 3.15Å
544R83.2Confident92.2Very high195 Ų19561.6 Ų61.674%0.73631%0.308SS*.THydrogen-bonded Turntrans-119-47.2-175.3-75.3175.549.6-177.4-9.9112.8S540 V541 W542S540-R544 WeakPolarHBondContact O-CD 3.45Å; S540-R544 WeakPolarHBondContact O-CG 3.26Å; V541-R544 PolarHBondContact O-N 3.07Å; W542-R544 VanDerWaalsContact C-N 3.34Å
545D87.1Confident92.2Very high87 Ų8761.6 Ų61.647%0.46531%0.309SS..SBendtrans-112.6-157.4-172.2-50.3-59.1000108.2V541V541-D545 HydrophobicContact CG1-CB 4.24Å; V541-D545 PolarHBondContact O-N 2.69Å
546D86.5Confident92.1Very high65 Ų6563.5 Ų63.535%0.34833%0.327SS..  trans-99.6169.5-176.794.5-52.2000114.3K548 S549 A550D546-K548 PolarHBondContact O-N 2.9Å; D546-K548 PolarHBondContact OD1-N 2.81Å; D546-K548 WeakPolarHBondContact OD2-CB 3.41Å; D546-K548 PolarHBondContact OD2-N 3.44Å; D546-K548 VanDerWaalsContact OD2-N 3.14Å; D546-S549 PolarHBondContact O-N 3.43Å; D546-S549 WeakPolarHBondContact OD1-CB 3.22Å; D546-S549 PolarHBondContact OD1-N 2.87Å; D546-S549 PolarHBondContact OD1-OG 2.92Å; D546-A550 PolarHBondContact O-N 2.9Å
547V91.8Very high92Very high27 Ų2760.7 Ų60.716%0.16431%0.314CS..Hα-helixtrans-56.7-35.8177.9176.10000111.9W542 L551 V570 L576 L581W542-V547 HydrophobicContact CH2-CB 4.36Å; W542-V547 HydrophobicContact CH2-CG1 3.69Å; W542-V547 HydrophobicContact CH2-CG2 4Å; W542-V547 HydrophobicContact CZ2-CG1 4.33Å; W542-V547 HydrophobicContact CZ2-CG2 3.78Å; W542-V547 HydrophobicContact CZ3-CB 4.5Å; W542-V547 HydrophobicContact CZ3-CG1 3.86Å; W542-V547 HydrophobicContact CZ3-CG2 4.49Å; V547-L551 WeakPolarHBondContact O-CB 3.45Å; V547-L551 PolarHBondContact O-N 2.88Å; V547-V570 HydrophobicContact CG1-CG2 4.27Å; V547-L576 HydrophobicContact CG2-CD2 4.28Å; V547-L581 HydrophobicContact CG1-CD1 4.1Å; V547-L581 HydrophobicContact CG1-CD2 4.14Å
548K92.2Very high91.9Very high56 Ų5663.6 Ų63.624%0.24333%0.327CS..Hα-helixtrans-65.2-51.7176.5-167.4-162.6-177.5178.10110.6D546 A550 L551 D552 D580 L581D546-K548 PolarHBondContact O-N 2.9Å; D546-K548 PolarHBondContact OD1-N 2.81Å; D546-K548 WeakPolarHBondContact OD2-CB 3.41Å; D546-K548 PolarHBondContact OD2-N 3.44Å; D546-K548 VanDerWaalsContact OD2-N 3.14Å; K548-A550 VanDerWaalsContact C-N 3.27Å; K548-A550 PolarHBondContact O-N 2.87Å; K548-L551 CarbonylContact O-C 3.45Å; K548-L551 WeakPolarHBondContact O-CA 3.42Å; K548-L551 PolarHBondContact O-N 2.88Å; K548-D552 PolarHBondContact O-N 2.98Å; K548-D580 HydrophobicContact CD-CB 4.14Å; K548-D580 WeakPolarHBondContact CE-O 3.21Å; K548-D580 IonicContact NZ-OD2 3.29Å; K548-D580 PolarHBondContact NZ-OD2 3.13Å; K548-L581 HydrophobicContact CB-CD1 4.33Å
549S92.8Very high91.7Very high48 Ų4865.5 Ų65.534%0.33634%0.338SS..Hα-helixtrans-56.7-39.6177.6-55.80000112.4D546 A553D546-S549 PolarHBondContact O-N 3.43Å; D546-S549 WeakPolarHBondContact OD1-CB 3.22Å; D546-S549 PolarHBondContact OD1-N 2.87Å; D546-S549 PolarHBondContact OD1-OG 2.92Å; S549-A553 WeakPolarHBondContact O-CB 3.45Å; S549-A553 PolarHBondContact O-N 2.96Å
550A93.7Very high91.6Very high0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-70.2-34.717600000113.2V538 V541 W542 D546 K548 A554V538-A550 HydrophobicContact CG1-CB 4.37Å; V541-A550 HydrophobicContact CB-CB 4.41Å; V541-A550 HydrophobicContact CG1-CB 4.13Å; W542-A550 HydrophobicContact CB-CB 3.78Å; W542-A550 HydrophobicContact CD2-CB 4.2Å; W542-A550 HydrophobicContact CE3-CB 3.6Å; W542-A550 HydrophobicContact CG-CB 4.32Å; D546-A550 PolarHBondContact O-N 2.9Å; K548-A550 VanDerWaalsContact C-N 3.27Å; K548-A550 PolarHBondContact O-N 2.87Å; A550-A554 PolarHBondContact O-N 3.36Å
551L94.5Very high91.6Very high4 Ų457 Ų572%0.02130%0.302CS..Hα-helixtrans-71.9-42.2172.1-179.170.6000112V547 K548 A553 A554 V555 V563 V566 L581 T584 V585V547-L551 WeakPolarHBondContact O-CB 3.45Å; V547-L551 PolarHBondContact O-N 2.88Å; K548-L551 CarbonylContact O-C 3.45Å; K548-L551 WeakPolarHBondContact O-CA 3.42Å; K548-L551 PolarHBondContact O-N 2.88Å; L551-A553 PolarHBondContact O-N 2.88Å; L551-A554 CarbonylContact O-C 3.58Å; L551-A554 WeakPolarHBondContact O-CA 3.38Å; L551-A554 WeakPolarHBondContact O-CB 3.41Å; L551-A554 PolarHBondContact O-N 3Å; L551-V555 HydrophobicContact CG-CG2 4.44Å; L551-V555 WeakPolarHBondContact O-CG2 3.42Å; L551-V555 PolarHBondContact O-N 2.78Å; L551-V563 HydrophobicContact CD1-CG1 4.46Å; L551-V566 HydrophobicContact CD1-CG1 3.96Å; L551-L581 HydrophobicContact CB-CD1 4.25Å; L551-L581 HydrophobicContact CD2-CD1 3.62Å; L551-L581 HydrophobicContact CD2-CG 4.24Å; L551-T584 HydrophobicContact CD2-CG2 3.56Å; L551-T584 HydrophobicContact CG-CG2 3.91Å; L551-V585 HydrophobicContact CD2-CG2 3.3Å
552D93.8Very high91.7Very high64 Ų6455.6 Ų55.634%0.34229%0.294SS..Hα-helixtrans-61-36.1175.6-68.2-30.8000110.1K548 V555 S556 T584K548-D552 PolarHBondContact O-N 2.98Å; D552-V555 PolarHBondContact O-N 3.41Å; D552-S556 WeakPolarHBondContact O-CB 3.25Å; D552-S556 PolarHBondContact O-N 2.79Å; D552-S556 PolarHBondContact O-OG 3.06Å; D552-T584 WeakPolarHBondContact OD1-CG2 3.44Å; D552-T584 PolarHBondContact OD1-OG1 3.26Å
553A93.9Very high91.8Very high19 Ų1952.1 Ų52.116%0.15728%0.281CS..Hα-helixtrans-65.5-41.816900000113.1V541 S549 L551 V555 S556 M557V541-A553 HydrophobicContact CG2-CB 4.35Å; S549-A553 WeakPolarHBondContact O-CB 3.45Å; S549-A553 PolarHBondContact O-N 2.96Å; L551-A553 PolarHBondContact O-N 2.88Å; A553-V555 VanDerWaalsContact C-N 3.32Å; A553-V555 PolarHBondContact O-N 2.82Å; A553-S556 PolarHBondContact O-N 3.17Å; A553-S556 PolarHBondContact O-OG 2.78Å; A553-S556 VanDerWaalsContact O-OG 3.06Å; A553-M557 WeakPolarHBondContact O-CG 3.23Å; A553-M557 PolarHBondContact O-N 3.18Å
554A94.3Very high92.1Very high0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-64.6-35.1174.100000112.7V538 A550 L551 I562 V563 V566V538-A554 HydrophobicContact CG2-CB 3.92Å; A550-A554 PolarHBondContact O-N 3.36Å; L551-A554 CarbonylContact O-C 3.58Å; L551-A554 WeakPolarHBondContact O-CA 3.38Å; L551-A554 WeakPolarHBondContact O-CB 3.41Å; L551-A554 PolarHBondContact O-N 3Å; A554-I562 HydrophobicContact CB-CG2 3.87Å; A554-V563 HydrophobicContact CB-CG2 4.35Å; A554-V566 HydrophobicContact CB-CG2 4.21Å
555V94.1Very high92.6Very high37 Ų3740.1 Ų40.122%0.22423%0.228CC..Hα-helixtrans-72.3-39.6176.7168.70000111.5L551 D552 A553 M557 N558 V563 T584 Q588L551-V555 HydrophobicContact CG-CG2 4.44Å; L551-V555 WeakPolarHBondContact O-CG2 3.42Å; L551-V555 PolarHBondContact O-N 2.78Å; D552-V555 PolarHBondContact O-N 3.41Å; A553-V555 VanDerWaalsContact C-N 3.32Å; A553-V555 PolarHBondContact O-N 2.82Å; V555-M557 VanDerWaalsContact C-N 3.25Å; V555-M557 PolarHBondContact O-N 2.89Å; V555-N558 PolarHBondContact O-N 3.01Å; V555-V563 HydrophobicContact CG2-CG2 4.19Å; V555-T584 HydrophobicContact CG2-CG2 4.27Å; V555-Q588 HydrophobicContact CG2-CG 3.88Å
556S93.6Very high92.9Very high98 Ų9836.2 Ų36.269%0.68521%0.207SC*.Hα-helixtrans-68.8-22.1178.469.80000113.7D552 A553 N558D552-S556 WeakPolarHBondContact O-CB 3.25Å; D552-S556 PolarHBondContact O-N 2.79Å; D552-S556 PolarHBondContact O-OG 3.06Å; A553-S556 PolarHBondContact O-N 3.17Å; A553-S556 PolarHBondContact O-OG 2.78Å; A553-S556 VanDerWaalsContact O-OG 3.06Å; S556-N558 PolarHBondContact O-N 3.36Å
557M91.7Very high93.3Very high51 Ų5133.2 Ų33.225%0.25119%0.191SC..THydrogen-bonded Turntrans-68.9-11.8168.5-66.5170.4-163.800113.6N534 T537 V538 A553 V555 D559N534-M557 HydrophobicContact CB-SD 3.73Å; T537-M557 HydrophobicContact CG2-CE 3.58Å; V538-M557 HydrophobicContact CG2-CE 3.7Å; V538-M557 HydrophobicContact CG2-SD 3.88Å; A553-M557 WeakPolarHBondContact O-CG 3.23Å; A553-M557 PolarHBondContact O-N 3.18Å; V555-M557 VanDerWaalsContact C-N 3.25Å; V555-M557 PolarHBondContact O-N 2.89Å; M557-D559 PolarHBondContact O-N 2.83Å; M557-D559 VanDerWaalsContact O-N 3.08Å
558N89.6Confident93.4Very high126 Ų12635.1 Ų35.167%0.67420%0.201SC*.THydrogen-bonded Turntrans55.122.5178.7-163.140.4000115.3V555 S556V555-N558 PolarHBondContact O-N 3.01Å; S556-N558 PolarHBondContact O-N 3.36Å
559D90.9Very high93.5Very high46 Ų4637.2 Ų37.225%0.24621%0.213CC..  trans-110107.5178.9-178.7-7.1000110.2M557 S561 I562 V563M557-D559 PolarHBondContact O-N 2.83Å; M557-D559 VanDerWaalsContact O-N 3.08Å; D559-S561 PolarHBondContact O-N 3.28Å; D559-S561 WeakPolarHBondContact OD1-CA 3.32Å; D559-S561 WeakPolarHBondContact OD1-CB 3.48Å; D559-S561 PolarHBondContact OD1-N 2.96Å; D559-S561 PolarHBondContact OD1-OG 3.48Å; D559-S561 PolarHBondContact OD2-OG 3.28Å; D559-S561 VanDerWaalsContact OD2-OG 3.1Å; D559-I562 HydrophobicContact CB-CG1 3.85Å; D559-I562 PolarHBondContact O-N 2.88Å; D559-I562 VanDerWaalsContact O-N 3.16Å; D559-V563 PolarHBondContact O-N 2.93Å
560L92Very high93.5Very high50 Ų5035 Ų3526%0.26220%0.198SC..Hα-helixtrans-61.6-23.9179.2-77.876.3000112.5I562 V563 V564 K591 L592 Y600L560-I562 VanDerWaalsContact C-N 3.32Å; L560-I562 PolarHBondContact O-N 3.19Å; L560-V563 PolarHBondContact O-N 2.82Å; L560-V564 WeakPolarHBondContact O-CB 3.28Å; L560-V564 VanDerWaalsContact O-CG2 3.29Å; L560-V564 WeakPolarHBondContact O-CG2 3.18Å; L560-V564 PolarHBondContact O-N 3.17Å; L560-K591 HydrophobicContact CD2-CB 3.93Å; L560-L592 HydrophobicContact CD2-CD2 4.2Å; L560-Y600 HydrophobicContact CB-CD2 4.24Å; L560-Y600 HydrophobicContact CB-CE2 3.83Å
561S92.6Very high93.5Very high13 Ų1336 Ų369%0.09120%0.204CC..Hα-helixtrans-67.5-34.1178.281.60000112R531 D559 D565 Y600R531-S561 PolarHBondContact NE-OG 2.88Å; R531-S561 PolarHBondContact NH2-O 2.66Å; D559-S561 PolarHBondContact O-N 3.28Å; D559-S561 WeakPolarHBondContact OD1-CA 3.32Å; D559-S561 WeakPolarHBondContact OD1-CB 3.48Å; D559-S561 PolarHBondContact OD1-N 2.96Å; D559-S561 PolarHBondContact OD1-OG 3.48Å; D559-S561 PolarHBondContact OD2-OG 3.28Å; D559-S561 VanDerWaalsContact OD2-OG 3.1Å; S561-D565 VanDerWaalsContact O-CG 3.24Å; S561-D565 PolarHBondContact O-N 2.88Å; S561-D565 VanDerWaalsContact O-N 3.17Å; S561-Y600 VanDerWaalsContact CB-OH 3.28Å; S561-Y600 WeakPolarHBondContact CB-OH 3.38Å
562I94.9Very high93.4Very high0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-71.3-45.4174.3-53-65000109.9R531 N534 L535 V538 A554 D559 L560 V564 D565 V566R531-I562 HydrophobicContact CB-CD1 4.39Å; R531-I562 HydrophobicContact CG-CD1 3.53Å; N534-I562 HydrophobicContact CB-CD1 3.53Å; N534-I562 HydrophobicContact CB-CG1 4.01Å; L535-I562 HydrophobicContact CD2-CD1 4.16Å; L535-I562 HydrophobicContact CD2-CG2 4.09Å; L535-I562 HydrophobicContact CG-CD1 3.85Å; V538-I562 HydrophobicContact CG2-CG2 3.87Å; A554-I562 HydrophobicContact CB-CG2 3.87Å; D559-I562 HydrophobicContact CB-CG1 3.85Å; D559-I562 PolarHBondContact O-N 2.88Å; D559-I562 VanDerWaalsContact O-N 3.16Å; L560-I562 VanDerWaalsContact C-N 3.32Å; L560-I562 PolarHBondContact O-N 3.19Å; I562-V564 VanDerWaalsContact C-N 3.26Å; I562-V564 PolarHBondContact O-N 2.82Å; I562-D565 PolarHBondContact O-N 2.89Å; I562-D565 VanDerWaalsContact O-N 3.17Å; I562-V566 WeakPolarHBondContact O-CG2 3.34Å; I562-V566 PolarHBondContact O-N 3.01Å
563V94.8Very high93.1Very high5 Ų544.1 Ų44.13%0.0324%0.243CC..Hα-helixtrans-60-37.6176.91790000111L551 A554 V555 D559 L560 L567 Q588L551-V563 HydrophobicContact CD1-CG1 4.46Å; A554-V563 HydrophobicContact CB-CG2 4.35Å; V555-V563 HydrophobicContact CG2-CG2 4.19Å; D559-V563 PolarHBondContact O-N 2.93Å; L560-V563 PolarHBondContact O-N 2.82Å; V563-L567 HydrophobicContact CG1-CD1 3.87Å; V563-L567 HydrophobicContact CG1-CG 4.26Å; V563-L567 VanDerWaalsContact O-CB 3.28Å; V563-L567 WeakPolarHBondContact O-CB 3.46Å; V563-L567 VanDerWaalsContact O-CG 3.26Å; V563-L567 WeakPolarHBondContact O-CG 3.4Å; V563-L567 PolarHBondContact O-N 2.83Å; V563-Q588 HydrophobicContact CG1-CB 4.19Å; V563-Q588 HydrophobicContact CG1-CG 4.39Å
564V95.7Very high92.6Very high6 Ų646.2 Ų46.24%0.03626%0.255CS..Hα-helixtrans-66.2-42.7174.3166.10000112.5L560 I562 L567 N568 L592 Y600 T603L560-V564 WeakPolarHBondContact O-CB 3.28Å; L560-V564 VanDerWaalsContact O-CG2 3.29Å; L560-V564 WeakPolarHBondContact O-CG2 3.18Å; L560-V564 PolarHBondContact O-N 3.17Å; I562-V564 VanDerWaalsContact C-N 3.26Å; I562-V564 PolarHBondContact O-N 2.82Å; V564-L567 PolarHBondContact O-N 2.63Å; V564-N568 WeakPolarHBondContact CG1-ND2 3.2Å; V564-N568 WeakPolarHBondContact O-CB 3.11Å; V564-N568 VanDerWaalsContact O-CG 3.27Å; V564-N568 PolarHBondContact O-N 2.93Å; V564-N568 PolarHBondContact O-ND2 2.96Å; V564-L592 HydrophobicContact CG2-CD2 3.41Å; V564-L592 VanDerWaalsContact CG2-CD2 3.41Å; V564-Y600 HydrophobicContact CG1-CD1 4.31Å; V564-Y600 HydrophobicContact CG2-CD1 3.82Å; V564-Y600 HydrophobicContact CG2-CD2 4.14Å; V564-Y600 HydrophobicContact CG2-CE1 4.21Å; V564-Y600 HydrophobicContact CG2-CE2 4.5Å; V564-Y600 HydrophobicContact CG2-CG 3.8Å; V564-T603 HydrophobicContact CG1-CG2 4.37Å
565D93.9Very high92.2Very high40 Ų4050.1 Ų50.121%0.21428%0.282CS..Hα-helixtrans-61.7-45.6176.6-63.1-37.5000111.2R531 L535 S561 I562 N568 I569R531-D565 IonicContact CZ-OD1 3.71Å; R531-D565 IonicContact CZ-OD2 3.69Å; R531-D565 IonicContact NE-OD1 2.63Å; R531-D565 IonicContact NE-OD2 2.83Å; R531-D565 PolarHBondContact NE-OD2 2.82Å; R531-D565 IonicContact NH2-OD1 3.43Å; R531-D565 PolarHBondContact NH2-OD1 2.89Å; R531-D565 IonicContact NH2-OD2 3.69Å; R531-D565 PolarHBondContact NH2-OD2 3.43Å; L535-D565 HydrophobicContact CD2-CB 3.91Å; S561-D565 VanDerWaalsContact O-CG 3.24Å; S561-D565 PolarHBondContact O-N 2.88Å; S561-D565 VanDerWaalsContact O-N 3.17Å; I562-D565 PolarHBondContact O-N 2.89Å; I562-D565 VanDerWaalsContact O-N 3.17Å; D565-N568 PolarHBondContact O-N 3.17Å; D565-I569 PolarHBondContact O-N 3.22Å
566V94.3Very high91.9Very high5 Ų550.6 Ų50.63%0.0328%0.283CS..Hα-helixtrans-63-47.7177.4174.10000111.1V538 W542 L551 A554 I562 N568 I569 V570V538-V566 HydrophobicContact CG1-CG2 3.84Å; W542-V566 HydrophobicContact CZ3-CG1 3.93Å; L551-V566 HydrophobicContact CD1-CG1 3.96Å; A554-V566 HydrophobicContact CB-CG2 4.21Å; I562-V566 WeakPolarHBondContact O-CG2 3.34Å; I562-V566 PolarHBondContact O-N 3.01Å; V566-N568 VanDerWaalsContact C-N 3.31Å; V566-N568 PolarHBondContact O-N 2.87Å; V566-I569 PolarHBondContact O-N 2.88Å; V566-I569 VanDerWaalsContact O-N 3.16Å; V566-V570 HydrophobicContact CG1-CG2 4.43Å; V566-V570 WeakPolarHBondContact O-CG2 3.4Å; V566-V570 PolarHBondContact O-N 2.9Å
567L94.4Very high91.7Very high2 Ų246.6 Ų46.61%0.0125%0.253CS..Hα-helixtrans-65.5-31.5178.5-75.2177000112.7V563 V564 I569 V570 N571 W577 V585 L592 T603V563-L567 HydrophobicContact CG1-CD1 3.87Å; V563-L567 HydrophobicContact CG1-CG 4.26Å; V563-L567 VanDerWaalsContact O-CB 3.28Å; V563-L567 WeakPolarHBondContact O-CB 3.46Å; V563-L567 VanDerWaalsContact O-CG 3.26Å; V563-L567 WeakPolarHBondContact O-CG 3.4Å; V563-L567 PolarHBondContact O-N 2.83Å; V564-L567 PolarHBondContact O-N 2.63Å; L567-I569 VanDerWaalsContact C-N 3.31Å; L567-I569 PolarHBondContact O-N 2.93Å; L567-V570 PolarHBondContact O-N 3.03Å; L567-N571 WeakPolarHBondContact O-CB 3.46Å; L567-N571 PolarHBondContact O-N 2.88Å; L567-N571 PolarHBondContact O-ND2 2.92Å; L567-W577 HydrophobicContact CD2-CH2 4.46Å; L567-V585 HydrophobicContact CD1-CG1 4.29Å; L567-V585 HydrophobicContact CD2-CG1 3.79Å; L567-V585 HydrophobicContact CD2-CG2 3.9Å; L567-L592 HydrophobicContact CD1-CD1 3.59Å; L567-T603 HydrophobicContact CB-CG2 3.66Å
568N94.4Very high91.7Very high68 Ų6850.1 Ų50.136%0.36427%0.267SS..Hα-helixtrans-65.3-35.1173.5-78.7-40000112.3V564 D565 V566 L572 T603V564-N568 WeakPolarHBondContact CG1-ND2 3.2Å; V564-N568 WeakPolarHBondContact O-CB 3.11Å; V564-N568 VanDerWaalsContact O-CG 3.27Å; V564-N568 PolarHBondContact O-N 2.93Å; V564-N568 PolarHBondContact O-ND2 2.96Å; D565-N568 PolarHBondContact O-N 3.17Å; V566-N568 VanDerWaalsContact C-N 3.31Å; V566-N568 PolarHBondContact O-N 2.87Å; N568-L572 WeakPolarHBondContact O-CG 3.41Å; N568-T603 PolarHBondContact ND2-OG1 2.81Å; N568-T603 WeakPolarHBondContact OD1-CG2 3.35Å; N568-T603 PolarHBondContact OD1-OG1 2.8Å
569I92.9Very high91.6Very high99 Ų9945.1 Ų45.151%0.50824%0.24SC..Hα-helixtrans-69.9-46172.7-62.7165.8000110.5D565 V566 L567 N571 L572D565-I569 PolarHBondContact O-N 3.22Å; V566-I569 PolarHBondContact O-N 2.88Å; V566-I569 VanDerWaalsContact O-N 3.16Å; L567-I569 VanDerWaalsContact C-N 3.31Å; L567-I569 PolarHBondContact O-N 2.93Å; I569-N571 PolarHBondContact O-N 2.91Å; I569-L572 PolarHBondContact O-N 3.35Å
570V92.8Very high91.5Very high3 Ų345.1 Ų45.12%0.01824%0.24CC..Hα-helixtrans-65.3-35.7179.5172.70000112.4W542 V547 V566 L567 L572 Q573 W577 L581W542-V570 HydrophobicContact CH2-CG2 3.77Å; W542-V570 HydrophobicContact CZ3-CG2 4.29Å; V547-V570 HydrophobicContact CG1-CG2 4.27Å; V566-V570 HydrophobicContact CG1-CG2 4.43Å; V566-V570 WeakPolarHBondContact O-CG2 3.4Å; V566-V570 PolarHBondContact O-N 2.9Å; L567-V570 PolarHBondContact O-N 3.03Å; V570-L572 PolarHBondContact O-N 2.67Å; V570-Q573 CarbonylContact O-C 3.6Å; V570-Q573 PolarHBondContact O-N 3.1Å; V570-Q573 VanDerWaalsContact O-N 3.14Å; V570-W577 HydrophobicContact CG1-CD2 4.2Å; V570-W577 HydrophobicContact CG1-CG 4.46Å; V570-W577 HydrophobicContact CG1-CZ2 3.84Å; V570-W577 PolarHBondContact O-NE1 3.16Å; V570-L581 HydrophobicContact CG1-CD2 4.02Å
571N93.7Very high91.5Very high21 Ų2143 Ų4311%0.11223%0.229CC..Hα-helixtrans-66.4-23.3176.7-74.8-18.9000113L567 I569 Q573 T603 T606 S607 L610L567-N571 WeakPolarHBondContact O-CB 3.46Å; L567-N571 PolarHBondContact O-N 2.88Å; L567-N571 PolarHBondContact O-ND2 2.92Å; I569-N571 PolarHBondContact O-N 2.91Å; N571-Q573 VanDerWaalsContact C-N 3.33Å; N571-T603 PolarHBondContact ND2-O 3.47Å; N571-T606 HydrophobicContact CB-CG2 4.2Å; N571-S607 VanDerWaalsContact CG-OG 3.28Å; N571-S607 PolarHBondContact ND2-OG 2.92Å; N571-S607 WeakPolarHBondContact OD1-CA 3.47Å; N571-S607 PolarHBondContact OD1-OG 2.76Å; N571-L610 HydrophobicContact CB-CD1 4.15Å
572L92.3Very high91.5Very high135 Ų13542.3 Ų42.371%0.70723%0.225SC*.THydrogen-bonded Turntrans-83.8-6.8175.4-68169.3000113.2N568 I569 V570N568-L572 WeakPolarHBondContact O-CG 3.41Å; I569-L572 PolarHBondContact O-N 3.35Å; V570-L572 PolarHBondContact O-N 2.67Å
573Q88.1Confident91.3Very high102 Ų10243.4 Ų43.448%0.47723%0.231SC..  trans-136.883.9-176.1-67.3-69.7-81.800110.9V570 N571 S575 L576V570-Q573 CarbonylContact O-C 3.6Å; V570-Q573 PolarHBondContact O-N 3.1Å; V570-Q573 VanDerWaalsContact O-N 3.14Å; N571-Q573 VanDerWaalsContact C-N 3.33Å; Q573-S575 PolarHBondContact O-N 2.67Å; Q573-L576 HydrophobicContact CB-CD1 3.76Å; Q573-L576 HydrophobicContact CB-CG 3.74Å; Q573-L576 HydrophobicContact CG-CD1 4.37Å; Q573-L576 PolarHBondContact O-N 2.94Å
574P83.8Confident91.2Very high63 Ų6344.1 Ų44.141%0.40924%0.236SC..G310 helixtrans-52.8-29.7-179.8-29.537000114.6L576 W577 L610P574-L576 PolarHBondContact O-N 2.85Å; P574-W577 WeakPolarHBondContact O-CB 3.44Å; P574-W577 PolarHBondContact O-N 3.26Å; P574-L610 HydrophobicContact CG-CD2 4.47Å
575S85.4Confident91.2Very high82 Ų8243.9 Ų43.957%0.57323%0.234SC*.G310 helixtrans-64.7-17.4176.450.50000115.3Q573 W577Q573-S575 PolarHBondContact O-N 2.67Å; S575-W577 VanDerWaalsContact C-N 3.32Å
576L87.6Confident91.2Very high48 Ų4842 Ų4225%0.25122%0.224SC..G310 helixtrans-80-15.7175.8-59.6-176.4000112.7W542 V547 Q573 P574W542-L576 HydrophobicContact CH2-CD1 4.2Å; W542-L576 HydrophobicContact CZ2-CD1 3.94Å; V547-L576 HydrophobicContact CG2-CD2 4.28Å; Q573-L576 HydrophobicContact CB-CD1 3.76Å; Q573-L576 HydrophobicContact CB-CG 3.74Å; Q573-L576 HydrophobicContact CG-CD1 4.37Å; Q573-L576 PolarHBondContact O-N 2.94Å; P574-L576 PolarHBondContact O-N 2.85Å
577W90.4Very high91.1Very high14 Ų1443.5 Ų43.55%0.05323%0.234CC..  trans-73.8135.8179.6-71.484.5000111.9L567 V570 P574 S575 L581 V585 I611 F615L567-W577 HydrophobicContact CD2-CH2 4.46Å; V570-W577 HydrophobicContact CG1-CD2 4.2Å; V570-W577 HydrophobicContact CG1-CG 4.46Å; V570-W577 HydrophobicContact CG1-CZ2 3.84Å; V570-W577 PolarHBondContact O-NE1 3.16Å; P574-W577 WeakPolarHBondContact O-CB 3.44Å; P574-W577 PolarHBondContact O-N 3.26Å; S575-W577 VanDerWaalsContact C-N 3.32Å; W577-L581 HydrophobicContact CD2-CD2 4.46Å; W577-L581 HydrophobicContact CE3-CD2 4.26Å; W577-V585 HydrophobicContact CH2-CB 4.36Å; W577-V585 HydrophobicContact CH2-CG1 3.9Å; W577-V585 HydrophobicContact CH2-CG2 4.27Å; W577-V585 HydrophobicContact CZ3-CB 4.16Å; W577-V585 HydrophobicContact CZ3-CG1 4.17Å; W577-V585 HydrophobicContact CZ3-CG2 4.1Å; W577-I611 HydrophobicContact CE3-CG1 3.92Å; W577-I611 HydrophobicContact CH2-CD1 3.98Å; W577-I611 HydrophobicContact CH2-CG1 3.93Å; W577-I611 HydrophobicContact CZ3-CD1 3.62Å; W577-I611 HydrophobicContact CZ3-CG1 3.46Å; W577-I611 VanDerWaalsContact CZ3-CG1 3.46Å; W577-F615 HydrophobicContact CB-CE2 3.59Å; W577-F615 HydrophobicContact CB-CZ 3.69Å; W577-F615 HydrophobicContact CG-CE2 4.41Å
578K90.8Very high91.1Very high124 Ų12444.5 Ų44.554%0.53924%0.238SC..  trans-138.2160.4174.3-62.5178.6-175.9172.60108.8D580 L581 C582K578-D580 VanDerWaalsContact C-N 3.26Å; K578-D580 PolarHBondContact O-N 3.33Å; K578-L581 WeakPolarHBondContact O-CA 3.44Å; K578-L581 WeakPolarHBondContact O-CB 3.02Å; K578-L581 PolarHBondContact O-N 3.36Å; K578-C582 PolarHBondContact O-N 2.99Å; K578-C582 PolarHBondContact O-SG 3.2Å
579L88.6Confident91.1Very high21 Ų2141.2 Ų41.211%0.1122%0.221CC..Hα-helixtrans-55.4-43.7174.9-17665.6000111.6L581 C582 T583 I619 R638 K641L579-L581 PolarHBondContact O-N 2.96Å; L579-C582 WeakPolarHBondContact O-CB 3.43Å; L579-C582 PolarHBondContact O-N 2.79Å; L579-C582 VanDerWaalsContact O-N 3.08Å; L579-T583 PolarHBondContact O-N 2.88Å; L579-I619 HydrophobicContact CD1-CG1 4.46Å; L579-R638 HydrophobicContact CD2-CG 4.01Å; L579-K641 HydrophobicContact CD2-CB 3.79Å; L579-K641 HydrophobicContact CG-CB 4.04Å
580D88.6Confident91Very high47 Ų4739 Ų3925%0.25121%0.21SC..Hα-helixtrans-61.8-23.6174-9371.5000114.8K548 K578 T583 K641K548-D580 HydrophobicContact CD-CB 4.14Å; K548-D580 WeakPolarHBondContact CE-O 3.21Å; K548-D580 IonicContact NZ-OD2 3.29Å; K548-D580 PolarHBondContact NZ-OD2 3.13Å; K578-D580 VanDerWaalsContact C-N 3.26Å; K578-D580 PolarHBondContact O-N 3.33Å; D580-T583 PolarHBondContact O-OG1 2.77Å; D580-K641 WeakPolarHBondContact OD1-CD 3.11Å; D580-K641 WeakPolarHBondContact OD1-CE 3.37Å; D580-K641 IonicContact OD1-NZ 2.66Å; D580-K641 PolarHBondContact OD1-NZ 2.58Å; D580-K641 IonicContact OD2-NZ 2.64Å; D580-K641 PolarHBondContact OD2-NZ 3.4Å
581L92Very high91Very high4 Ų443.1 Ų43.12%0.02123%0.228CC..Hα-helixtrans-82.7-36.9172.5-162.271.7000110.4V547 K548 L551 V570 W577 K578 L579 T583 T584 V585V547-L581 HydrophobicContact CG1-CD1 4.1Å; V547-L581 HydrophobicContact CG1-CD2 4.14Å; K548-L581 HydrophobicContact CB-CD1 4.33Å; L551-L581 HydrophobicContact CB-CD1 4.25Å; L551-L581 HydrophobicContact CD2-CD1 3.62Å; L551-L581 HydrophobicContact CD2-CG 4.24Å; V570-L581 HydrophobicContact CG1-CD2 4.02Å; W577-L581 HydrophobicContact CD2-CD2 4.46Å; W577-L581 HydrophobicContact CE3-CD2 4.26Å; K578-L581 WeakPolarHBondContact O-CA 3.44Å; K578-L581 WeakPolarHBondContact O-CB 3.02Å; K578-L581 PolarHBondContact O-N 3.36Å; L579-L581 PolarHBondContact O-N 2.96Å; L581-T583 VanDerWaalsContact C-N 3.3Å; L581-T583 PolarHBondContact O-N 2.82Å; L581-T584 PolarHBondContact O-N 2.81Å; L581-T584 VanDerWaalsContact O-N 3.16Å; L581-V585 HydrophobicContact CG-CG2 4.08Å; L581-V585 WeakPolarHBondContact O-CB 3.28Å; L581-V585 VanDerWaalsContact O-CG2 3.26Å; L581-V585 WeakPolarHBondContact O-CG2 3.26Å; L581-V585 PolarHBondContact O-N 3.12Å
582C91.9Very high91Very high0 Ų042.1 Ų42.10%022%0.223CC..Hα-helixtrans-59.2-40.8176.8-60.10000111.5K578 L579 T584 V585 L586K578-C582 PolarHBondContact O-N 2.99Å; K578-C582 PolarHBondContact O-SG 3.2Å; L579-C582 WeakPolarHBondContact O-CB 3.43Å; L579-C582 PolarHBondContact O-N 2.79Å; L579-C582 VanDerWaalsContact O-N 3.08Å; C582-T584 VanDerWaalsContact C-N 3.34Å; C582-T584 PolarHBondContact O-N 2.92Å; C582-V585 PolarHBondContact O-N 2.89Å; C582-L586 HydrophobicContact CB-CD1 4.39Å; C582-L586 WeakPolarHBondContact O-CB 3.41Å; C582-L586 WeakPolarHBondContact O-CD1 3.44Å; C582-L586 WeakPolarHBondContact O-CG 3.39Å; C582-L586 PolarHBondContact O-N 3.05Å
583T91.6Very high90.9Very high23 Ų2335.7 Ų35.714%0.14119%0.189CC..Hα-helixtrans-60.8-37.3175.743.30000113.3L579 D580 L581 P587 K641L579-T583 PolarHBondContact O-N 2.88Å; D580-T583 PolarHBondContact O-OG1 2.77Å; L581-T583 VanDerWaalsContact C-N 3.3Å; L581-T583 PolarHBondContact O-N 2.82Å; T583-P587 WeakPolarHBondContact O-CD 3.3Å; T583-K641 HydrophobicContact CG2-CB 4.22Å; T583-K641 HydrophobicContact CG2-CG 4.37Å
584T92.4Very high91Very high20 Ų2035.6 Ų35.612%0.12319%0.188CC..Hα-helixtrans-77-38.8175.4-60.50000112.2L551 D552 V555 L581 C582L551-T584 HydrophobicContact CD2-CG2 3.56Å; L551-T584 HydrophobicContact CG-CG2 3.91Å; D552-T584 WeakPolarHBondContact OD1-CG2 3.44Å; D552-T584 PolarHBondContact OD1-OG1 3.26Å; V555-T584 HydrophobicContact CG2-CG2 4.27Å; L581-T584 PolarHBondContact O-N 2.81Å; L581-T584 VanDerWaalsContact O-N 3.16Å; C582-T584 VanDerWaalsContact C-N 3.34Å; C582-T584 PolarHBondContact O-N 2.92Å
585V94.3Very high91.3Very high1 Ų133.5 Ų33.51%0.00618%0.175CC..Hα-helixtrans-78-40-173.2177.20000113.1L551 L567 W577 L581 C582 Q588 I589L551-V585 HydrophobicContact CD2-CG2 3.3Å; L567-V585 HydrophobicContact CD1-CG1 4.29Å; L567-V585 HydrophobicContact CD2-CG1 3.79Å; L567-V585 HydrophobicContact CD2-CG2 3.9Å; W577-V585 HydrophobicContact CH2-CB 4.36Å; W577-V585 HydrophobicContact CH2-CG1 3.9Å; W577-V585 HydrophobicContact CH2-CG2 4.27Å; W577-V585 HydrophobicContact CZ3-CB 4.16Å; W577-V585 HydrophobicContact CZ3-CG1 4.17Å; W577-V585 HydrophobicContact CZ3-CG2 4.1Å; L581-V585 HydrophobicContact CG-CG2 4.08Å; L581-V585 WeakPolarHBondContact O-CB 3.28Å; L581-V585 VanDerWaalsContact O-CG2 3.26Å; L581-V585 WeakPolarHBondContact O-CG2 3.26Å; L581-V585 PolarHBondContact O-N 3.12Å; C582-V585 PolarHBondContact O-N 2.89Å; V585-Q588 WeakPolarHBondContact O-CA 3.45Å; V585-Q588 PolarHBondContact O-N 3.3Å; V585-I589 HydrophobicContact CG1-CD1 3.67Å; V585-I589 HydrophobicContact CG1-CG1 3.77Å; V585-I589 PolarHBondContact O-N 3.12Å
586L93.8Very high91.4Very high1 Ų137.8 Ų37.81%0.00518%0.183CC..Hα-helixtrans-55.4-42-175.9-74.9165.1000113.7C582 Q588 I589 D590 L608 I611 C645 Y648 L649 L652C582-L586 HydrophobicContact CB-CD1 4.39Å; C582-L586 WeakPolarHBondContact O-CB 3.41Å; C582-L586 WeakPolarHBondContact O-CD1 3.44Å; C582-L586 WeakPolarHBondContact O-CG 3.39Å; C582-L586 PolarHBondContact O-N 3.05Å; L586-Q588 VanDerWaalsContact C-N 3.27Å; L586-Q588 PolarHBondContact O-N 3.29Å; L586-I589 HydrophobicContact CD2-CD1 4.33Å; L586-I589 PolarHBondContact O-N 2.83Å; L586-D590 PolarHBondContact O-N 2.83Å; L586-L608 HydrophobicContact CD2-CD1 4.2Å; L586-I611 HydrophobicContact CD2-CD1 3.77Å; L586-I611 HydrophobicContact CD2-CG2 4.47Å; L586-I611 HydrophobicContact CG-CD1 4.01Å; L586-C645 HydrophobicContact CD1-CB 3.94Å; L586-Y648 HydrophobicContact CB-CD2 4.37Å; L586-Y648 HydrophobicContact CB-CG 4.18Å; L586-L649 HydrophobicContact CD1-CG 4.21Å; L586-L649 HydrophobicContact CD2-CD2 3.67Å; L586-L649 HydrophobicContact CD2-CG 4.1Å; L586-L652 HydrophobicContact CD2-CD1 3.61Å
587P93Very high91.5Very high35 Ų3541.1 Ų41.123%0.22719%0.193CC..Hα-helixtrans-60.4-27.3170.7-25.834.1000115.6T583 Y648T583-P587 WeakPolarHBondContact O-CD 3.3Å; P587-Y648 HydrophobicContact CB-CE1 4.46Å; P587-Y648 HydrophobicContact CG-CD1 4.28Å; P587-Y648 HydrophobicContact CG-CD2 4.47Å; P587-Y648 HydrophobicContact CG-CE1 3.82Å; P587-Y648 HydrophobicContact CG-CE2 4.05Å
588Q94.3Very high91.3Very high23 Ų2346 Ų4611%0.10722%0.217CC..Hα-helixtrans-87-32.3177.3-44.9-51-30.900111.7V555 V563 V585 L586 D590 K591 L592V555-Q588 HydrophobicContact CG2-CG 3.88Å; V563-Q588 HydrophobicContact CG1-CB 4.19Å; V563-Q588 HydrophobicContact CG1-CG 4.39Å; V585-Q588 WeakPolarHBondContact O-CA 3.45Å; V585-Q588 PolarHBondContact O-N 3.3Å; L586-Q588 VanDerWaalsContact C-N 3.27Å; L586-Q588 PolarHBondContact O-N 3.29Å; Q588-D590 PolarHBondContact O-N 2.58Å; Q588-K591 PolarHBondContact O-N 3.45Å; Q588-L592 VanDerWaalsContact O-CG 3.26Å; Q588-L592 WeakPolarHBondContact O-CG 3.42Å; Q588-L592 PolarHBondContact O-N 2.94Å
589I94.1Very high91.3Very high0 Ų043.5 Ų43.50%022%0.215CC..Hα-helixtrans-54.2-40.6173-74.7172.8000110.6V585 L586 K591 L592 L593 L608 I611 L652V585-I589 HydrophobicContact CG1-CD1 3.67Å; V585-I589 HydrophobicContact CG1-CG1 3.77Å; V585-I589 PolarHBondContact O-N 3.12Å; L586-I589 HydrophobicContact CD2-CD1 4.33Å; L586-I589 PolarHBondContact O-N 2.83Å; I589-K591 PolarHBondContact O-N 2.9Å; I589-L592 PolarHBondContact O-N 2.9Å; I589-L592 VanDerWaalsContact O-N 3.17Å; I589-L593 HydrophobicContact CG2-CD1 3.76Å; I589-L593 HydrophobicContact CG2-CG 3.94Å; I589-L593 WeakPolarHBondContact O-CB 3.34Å; I589-L593 WeakPolarHBondContact O-CG 3.48Å; I589-L593 PolarHBondContact O-N 3.39Å; I589-L608 HydrophobicContact CD1-CB 4.19Å; I589-L608 HydrophobicContact CG2-CB 4.13Å; I589-L608 HydrophobicContact CG2-CD2 4.29Å; I589-I611 HydrophobicContact CD1-CD1 3.59Å; I589-L652 HydrophobicContact CB-CD1 4.41Å; I589-L652 HydrophobicContact CG2-CD1 3.94Å; I589-L652 HydrophobicContact CG2-CD2 3.96Å
590D92.1Very high91.5Very high53 Ų5344.5 Ų44.528%0.28322%0.217SC..Hα-helixtrans-56.3-53.5176.7-176.244.6000111.9L586 Q588 L592 L593 Q594 L652L586-D590 PolarHBondContact O-N 2.83Å; Q588-D590 PolarHBondContact O-N 2.58Å; D590-L592 VanDerWaalsContact C-N 3.27Å; D590-L592 PolarHBondContact O-N 2.86Å; D590-L593 PolarHBondContact O-N 2.99Å; D590-Q594 WeakPolarHBondContact O-CB 3.44Å; D590-Q594 VanDerWaalsContact O-CG 3.3Å; D590-Q594 WeakPolarHBondContact O-CG 3.27Å; D590-Q594 PolarHBondContact O-N 3.3Å; D590-Q594 PolarHBondContact OD1-NE2 2.93Å; D590-Q594 PolarHBondContact OD2-NE2 3.29Å; D590-Q594 VanDerWaalsContact OD2-NE2 3.09Å; D590-L652 HydrophobicContact CB-CD2 3.78Å
591K92.7Very high91.6Very high88 Ų8843.2 Ų43.238%0.38321%0.21SC..Hα-helixtrans-59.7-36.5176.2-52.3176.3-173.6167.50112.6L560 Q588 I589 S595L560-K591 HydrophobicContact CD2-CB 3.93Å; Q588-K591 PolarHBondContact O-N 3.45Å; I589-K591 PolarHBondContact O-N 2.9Å; K591-S595 PolarHBondContact O-N 3.49Å
592L92.9Very high91.6Very high1 Ų146.7 Ų46.71%0.00523%0.226CC..Hα-helixtrans-71.9-41.8-180-69.8171.5000112.5L560 V564 L567 Q588 I589 D590 Q594 S595 Y600 M601L560-L592 HydrophobicContact CD2-CD2 4.2Å; V564-L592 HydrophobicContact CG2-CD2 3.41Å; V564-L592 VanDerWaalsContact CG2-CD2 3.41Å; L567-L592 HydrophobicContact CD1-CD1 3.59Å; Q588-L592 VanDerWaalsContact O-CG 3.26Å; Q588-L592 WeakPolarHBondContact O-CG 3.42Å; Q588-L592 PolarHBondContact O-N 2.94Å; I589-L592 PolarHBondContact O-N 2.9Å; I589-L592 VanDerWaalsContact O-N 3.17Å; D590-L592 VanDerWaalsContact C-N 3.27Å; D590-L592 PolarHBondContact O-N 2.86Å; L592-Q594 VanDerWaalsContact C-N 3.33Å; L592-S595 WeakPolarHBondContact O-CB 3.45Å; L592-S595 PolarHBondContact O-N 3.14Å; L592-Y600 HydrophobicContact CD2-CD2 3.94Å; L592-Y600 HydrophobicContact CD2-CG 4.12Å; L592-M601 WeakPolarHBondContact O-CA 3.19Å; L592-M601 WeakPolarHBondContact O-CG 3.47Å; L592-M601 PolarHBondContact O-N 3.17Å
593L90.4Very high91.6Very high0 Ų046.9 Ų46.90%023%0.228CC..Hα-helixtrans-70.8-29.3174.6-66.8-176000112.2I589 D590 S605 L608 L652 V656 R659 F670I589-L593 HydrophobicContact CG2-CD1 3.76Å; I589-L593 HydrophobicContact CG2-CG 3.94Å; I589-L593 WeakPolarHBondContact O-CB 3.34Å; I589-L593 WeakPolarHBondContact O-CG 3.48Å; I589-L593 PolarHBondContact O-N 3.39Å; D590-L593 PolarHBondContact O-N 2.99Å; L593-S605 VanDerWaalsContact CD2-OG 3.31Å; L593-S605 WeakPolarHBondContact CD2-OG 3.32Å; L593-L608 HydrophobicContact CD1-CD2 3.92Å; L593-L652 HydrophobicContact CD1-CD2 4.29Å; L593-V656 HydrophobicContact CD1-CG2 4.14Å; L593-R659 PolarHBondContact O-NE 3.14Å; L593-R659 PolarHBondContact O-NH1 2.79Å; L593-F670 HydrophobicContact CB-CE1 4.44Å; L593-F670 HydrophobicContact CD1-CE1 4.44Å; L593-F670 HydrophobicContact CD2-CE1 3.94Å; L593-F670 HydrophobicContact CD2-CZ 4.14Å
594Q89.3Confident91.7Very high100 Ų10045.8 Ų45.847%0.46722%0.221SC..Hα-helixtrans-78.1-19.4173.6-69.4-173.542.300113.6D590 L592 V655 R659D590-Q594 WeakPolarHBondContact O-CB 3.44Å; D590-Q594 VanDerWaalsContact O-CG 3.3Å; D590-Q594 WeakPolarHBondContact O-CG 3.27Å; D590-Q594 PolarHBondContact O-N 3.3Å; D590-Q594 PolarHBondContact OD1-NE2 2.93Å; D590-Q594 PolarHBondContact OD2-NE2 3.29Å; D590-Q594 VanDerWaalsContact OD2-NE2 3.09Å; L592-Q594 VanDerWaalsContact C-N 3.33Å; Q594-V655 HydrophobicContact CG-CG1 4.2Å; Q594-R659 PolarHBondContact O-NH2 3.04Å
595S90.9Very high91.7Very high18 Ų1845 Ų4513%0.12622%0.217CC..  trans-51.9153.2-176.4-171.70000114.7K591 L592 Y597K591-S595 PolarHBondContact O-N 3.49Å; L592-S595 WeakPolarHBondContact O-CB 3.45Å; L592-S595 PolarHBondContact O-N 3.14Å; S595-Y597 VanDerWaalsContact C-N 3.34Å; S595-Y597 PolarHBondContact OG-N 2.91Å; S595-Y597 VanDerWaalsContact OG-N 3.16Å
596K88Confident91.6Very high172 Ų17247.3 Ų47.375%0.74823%0.23SC*.SBendtrans-81.4-9.1170.169.7-179-177.4-178.80113.9
597Y89.3Confident91.6Very high118 Ų11847.2 Ų47.246%0.46323%0.23SC..  trans-99.1121-176.5-62.2-74.2000111S595 S599 Y600 M601S595-Y597 VanDerWaalsContact C-N 3.34Å; S595-Y597 PolarHBondContact OG-N 2.91Å; S595-Y597 VanDerWaalsContact OG-N 3.16Å; Y597-S599 VanDerWaalsContact C-N 3.31Å; Y597-S599 PolarHBondContact O-N 2.8Å; Y597-Y600 HydrophobicContact CD2-CD2 4.21Å; Y597-Y600 HydrophobicContact CD2-CE2 4.04Å; Y597-Y600 WeakPolarHBondContact O-CB 3.39Å; Y597-Y600 PolarHBondContact O-N 2.79Å; Y597-M601 PolarHBondContact O-N 3.38Å
598E86.8Confident91.7Very high118 Ų11845.6 Ų45.655%0.55122%0.219SC*.Hα-helixtrans-54.2-43-178.6-70.2-166.4153.100113.4Y600 M601 Q602 H666E598-Y600 VanDerWaalsContact C-N 3.27Å; E598-Y600 PolarHBondContact O-N 2.9Å; E598-M601 HydrophobicContact CG-CE 4.39Å; E598-M601 PolarHBondContact O-N 3.19Å; E598-Q602 WeakPolarHBondContact O-CB 3.45Å; E598-Q602 PolarHBondContact O-N 3.46Å; E598-H666 IonicContact OE1-NE2 3.13Å
599S90.1Very high91.6Very high71 Ų7147.2 Ų47.250%0.49723%0.226SC..Hα-helixtrans-62.7-32.217851.40000113.1Y597 T603Y597-S599 VanDerWaalsContact C-N 3.31Å; Y597-S599 PolarHBondContact O-N 2.8Å; S599-T603 WeakPolarHBondContact O-CB 3.22Å; S599-T603 PolarHBondContact O-N 2.57Å; S599-T603 PolarHBondContact O-OG1 2.65Å
600Y93.6Very high91.4Very high41 Ų4148.4 Ų48.416%0.16123%0.232CC..Hα-helixtrans-75-45.1-179.8-70.628.3000109.4L560 S561 V564 L592 Y597 E598 Q602 T603 G604L560-Y600 HydrophobicContact CB-CD2 4.24Å; L560-Y600 HydrophobicContact CB-CE2 3.83Å; S561-Y600 VanDerWaalsContact CB-OH 3.28Å; S561-Y600 WeakPolarHBondContact CB-OH 3.38Å; V564-Y600 HydrophobicContact CG1-CD1 4.31Å; V564-Y600 HydrophobicContact CG2-CD1 3.82Å; V564-Y600 HydrophobicContact CG2-CD2 4.14Å; V564-Y600 HydrophobicContact CG2-CE1 4.21Å; V564-Y600 HydrophobicContact CG2-CE2 4.5Å; V564-Y600 HydrophobicContact CG2-CG 3.8Å; L592-Y600 HydrophobicContact CD2-CD2 3.94Å; L592-Y600 HydrophobicContact CD2-CG 4.12Å; Y597-Y600 HydrophobicContact CD2-CD2 4.21Å; Y597-Y600 HydrophobicContact CD2-CE2 4.04Å; Y597-Y600 WeakPolarHBondContact O-CB 3.39Å; Y597-Y600 PolarHBondContact O-N 2.79Å; E598-Y600 VanDerWaalsContact C-N 3.27Å; E598-Y600 PolarHBondContact O-N 2.9Å; Y600-Q602 VanDerWaalsContact C-N 3.31Å; Y600-Q602 PolarHBondContact O-N 2.87Å; Y600-T603 PolarHBondContact O-N 3.18Å; Y600-G604 PolarHBondContact O-N 3.04Å
601M91.1Very high91.5Very high21 Ų2145.9 Ų45.910%0.10322%0.219CC..Hα-helixtrans-59.5-41.5172.9-67.5-171.6-71.900111.5L592 Y597 E598 S605 R659L592-M601 WeakPolarHBondContact O-CA 3.19Å; L592-M601 WeakPolarHBondContact O-CG 3.47Å; L592-M601 PolarHBondContact O-N 3.17Å; Y597-M601 PolarHBondContact O-N 3.38Å; E598-M601 HydrophobicContact CG-CE 4.39Å; E598-M601 PolarHBondContact O-N 3.19Å; M601-S605 VanDerWaalsContact O-CB 3.23Å; M601-S605 WeakPolarHBondContact O-CB 3.5Å; M601-S605 PolarHBondContact O-N 2.86Å; M601-S605 PolarHBondContact O-OG 2.91Å; M601-R659 PolarHBondContact SD-NH1 3.03Å
602Q90.5Very high91.4Very high76 Ų7642.2 Ų42.236%0.35520%0.203SC..Hα-helixtrans-66.4-42.5178.1-171.559.839.700112.5E598 Y600 S605 T606 H666E598-Q602 WeakPolarHBondContact O-CB 3.45Å; E598-Q602 PolarHBondContact O-N 3.46Å; Y600-Q602 VanDerWaalsContact C-N 3.31Å; Y600-Q602 PolarHBondContact O-N 2.87Å; Q602-S605 PolarHBondContact O-N 2.99Å; Q602-T606 WeakPolarHBondContact O-CB 3.48Å; Q602-T606 PolarHBondContact O-N 3.06Å; Q602-T606 PolarHBondContact O-OG1 3.38Å; Q602-H666 PolarHBondContact OE1-CE1 3.11Å; Q602-H666 PolarHBondContact OE1-ND1 3.12Å; Q602-H666 VanDerWaalsContact OE1-ND1 3.09Å
603T93.1Very high91.2Very high5 Ų548.1 Ų48.13%0.03123%0.229CC..Hα-helixtrans-62.9-50.8176-55.30000110.3V564 L567 N568 N571 S599 Y600 S605 T606 S607V564-T603 HydrophobicContact CG1-CG2 4.37Å; L567-T603 HydrophobicContact CB-CG2 3.66Å; N568-T603 PolarHBondContact ND2-OG1 2.81Å; N568-T603 WeakPolarHBondContact OD1-CG2 3.35Å; N568-T603 PolarHBondContact OD1-OG1 2.8Å; N571-T603 PolarHBondContact ND2-O 3.47Å; S599-T603 WeakPolarHBondContact O-CB 3.22Å; S599-T603 PolarHBondContact O-N 2.57Å; S599-T603 PolarHBondContact O-OG1 2.65Å; Y600-T603 PolarHBondContact O-N 3.18Å; T603-S605 VanDerWaalsContact C-N 3.35Å; T603-S605 PolarHBondContact O-N 3.47Å; T603-T606 PolarHBondContact O-N 2.94Å; T603-S607 PolarHBondContact O-N 2.9Å; T603-S607 PolarHBondContact O-OG 2.85Å
604G93.9Very high91.1Very high0 Ų053 Ų530%025%0.251CS..Hα-helixtrans-61.1-39.1177.800000113.3Y600 S607 L608Y600-G604 PolarHBondContact O-N 3.04Å; G604-S607 PolarHBondContact O-N 2.81Å; G604-L608 WeakPolarHBondContact O-CB 3.38Å; G604-L608 PolarHBondContact O-N 2.65Å
605S91.7Very high91.1Very high4 Ų449.4 Ų49.43%0.02823%0.234CC..Hα-helixtrans-64.5-41.3175.4-61.90000112L593 M601 Q602 T603 L608 K609L593-S605 VanDerWaalsContact CD2-OG 3.31Å; L593-S605 WeakPolarHBondContact CD2-OG 3.32Å; M601-S605 VanDerWaalsContact O-CB 3.23Å; M601-S605 WeakPolarHBondContact O-CB 3.5Å; M601-S605 PolarHBondContact O-N 2.86Å; M601-S605 PolarHBondContact O-OG 2.91Å; Q602-S605 PolarHBondContact O-N 2.99Å; T603-S605 VanDerWaalsContact C-N 3.35Å; T603-S605 PolarHBondContact O-N 3.47Å; S605-L608 PolarHBondContact O-N 3.28Å; S605-K609 VanDerWaalsContact O-CB 3.25Å; S605-K609 WeakPolarHBondContact O-CB 3.16Å; S605-K609 PolarHBondContact O-N 3.41Å
606T92.8Very high91Very high48 Ų4850.1 Ų50.129%0.29423%0.234SC..Hα-helixtrans-66.7-43178-53.70000111N571 Q602 T603 K609 L610N571-T606 HydrophobicContact CB-CG2 4.2Å; Q602-T606 WeakPolarHBondContact O-CB 3.48Å; Q602-T606 PolarHBondContact O-N 3.06Å; Q602-T606 PolarHBondContact O-OG1 3.38Å; T603-T606 PolarHBondContact O-N 2.94Å; T606-K609 PolarHBondContact O-N 3.03Å; T606-L610 WeakPolarHBondContact O-CG 3.34Å; T606-L610 PolarHBondContact O-N 2.82Å
607S94.1Very high90.9Very high0 Ų046.2 Ų46.20%023%0.225CC..Hα-helixtrans-62.7-45.9174.5-610000112.3N571 T603 G604 K609 L610 I611N571-S607 VanDerWaalsContact CG-OG 3.28Å; N571-S607 PolarHBondContact ND2-OG 2.92Å; N571-S607 WeakPolarHBondContact OD1-CA 3.47Å; N571-S607 PolarHBondContact OD1-OG 2.76Å; T603-S607 PolarHBondContact O-N 2.9Å; T603-S607 PolarHBondContact O-OG 2.85Å; G604-S607 PolarHBondContact O-N 2.81Å; S607-K609 VanDerWaalsContact C-N 3.33Å; S607-K609 PolarHBondContact O-N 2.86Å; S607-L610 PolarHBondContact O-N 2.98Å; S607-I611 WeakPolarHBondContact O-CG1 3.38Å; S607-I611 PolarHBondContact O-N 3.41Å
608L93.5Very high90.8Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-62.2-41.2177.5-17554.7000111.9L586 I589 L593 G604 S605 L610 I611 M612 L649 L652 V656 L673 M677L586-L608 HydrophobicContact CD2-CD1 4.2Å; I589-L608 HydrophobicContact CD1-CB 4.19Å; I589-L608 HydrophobicContact CG2-CB 4.13Å; I589-L608 HydrophobicContact CG2-CD2 4.29Å; L593-L608 HydrophobicContact CD1-CD2 3.92Å; G604-L608 WeakPolarHBondContact O-CB 3.38Å; G604-L608 PolarHBondContact O-N 2.65Å; S605-L608 PolarHBondContact O-N 3.28Å; L608-L610 VanDerWaalsContact C-N 3.32Å; L608-L610 PolarHBondContact O-N 3.03Å; L608-I611 PolarHBondContact O-N 3.25Å; L608-M612 HydrophobicContact CD1-CG 4.28Å; L608-M612 WeakPolarHBondContact O-CB 3.47Å; L608-M612 VanDerWaalsContact O-CG 3.23Å; L608-M612 WeakPolarHBondContact O-CG 3.32Å; L608-M612 PolarHBondContact O-N 2.82Å; L608-L649 HydrophobicContact CD1-CD2 3.67Å; L608-L652 HydrophobicContact CD1-CD1 4.03Å; L608-V656 HydrophobicContact CD2-CG2 4.09Å; L608-L673 HydrophobicContact CB-CD2 4.12Å; L608-L673 HydrophobicContact CD2-CD1 4.34Å; L608-L673 HydrophobicContact CD2-CD2 4.17Å; L608-L673 HydrophobicContact CG-CD2 3.99Å; L608-M677 HydrophobicContact CD2-CE 4.48Å; L608-M677 HydrophobicContact CD2-SD 3.95Å; L608-M677 HydrophobicContact CG-SD 4.48Å
609K91.9Very high90.8Very high58 Ų5837.3 Ų37.325%0.25219%0.189SC..Hα-helixtrans-60.7-38.2175.1-177.9173.9-176.7173.90112.5S605 T606 S607 K613 E672 L673 L676S605-K609 VanDerWaalsContact O-CB 3.25Å; S605-K609 WeakPolarHBondContact O-CB 3.16Å; S605-K609 PolarHBondContact O-N 3.41Å; T606-K609 PolarHBondContact O-N 3.03Å; S607-K609 VanDerWaalsContact C-N 3.33Å; S607-K609 PolarHBondContact O-N 2.86Å; K609-K613 WeakPolarHBondContact O-CB 3.3Å; K609-K613 WeakPolarHBondContact O-CG 3.49Å; K609-K613 PolarHBondContact O-N 3.11Å; K609-K613 VanDerWaalsContact O-N 3.1Å; K609-E672 WeakPolarHBondContact CE-OE1 3.29Å; K609-E672 WeakPolarHBondContact CE-OE2 3.42Å; K609-E672 IonicContact NZ-OE1 3.36Å; K609-E672 PolarHBondContact NZ-OE1 3.28Å; K609-E672 IonicContact NZ-OE2 2.78Å; K609-E672 PolarHBondContact NZ-OE2 2.94Å; K609-L673 HydrophobicContact CB-CD2 4.02Å; K609-L676 HydrophobicContact CD-CD1 4.49Å; K609-L676 HydrophobicContact CG-CD1 3.88Å
610L91.6Very high90.6Very high24 Ų2434.5 Ų34.513%0.12617%0.169CC..Hα-helixtrans-68.9-46.1174.4-75.4169.6000112N571 P574 T606 S607 L608 M612 K613 H614N571-L610 HydrophobicContact CB-CD1 4.15Å; P574-L610 HydrophobicContact CG-CD2 4.47Å; T606-L610 WeakPolarHBondContact O-CG 3.34Å; T606-L610 PolarHBondContact O-N 2.82Å; S607-L610 PolarHBondContact O-N 2.98Å; L608-L610 VanDerWaalsContact C-N 3.32Å; L608-L610 PolarHBondContact O-N 3.03Å; L610-M612 VanDerWaalsContact C-N 3.3Å; L610-M612 PolarHBondContact O-N 2.79Å; L610-K613 PolarHBondContact O-N 3.27Å; L610-H614 PolarHBondContact O-CD2 3Å; L610-H614 VanDerWaalsContact O-CD2 3.31Å; L610-H614 PolarHBondContact O-N 3.01Å
611I92.7Very high90.1Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-57.1-46.3176.5-64.2167.5000110.4W577 L586 I589 S607 L608 K613 H614 F615 L649W577-I611 HydrophobicContact CE3-CG1 3.92Å; W577-I611 HydrophobicContact CH2-CD1 3.98Å; W577-I611 HydrophobicContact CH2-CG1 3.93Å; W577-I611 HydrophobicContact CZ3-CD1 3.62Å; W577-I611 HydrophobicContact CZ3-CG1 3.46Å; W577-I611 VanDerWaalsContact CZ3-CG1 3.46Å; L586-I611 HydrophobicContact CD2-CD1 3.77Å; L586-I611 HydrophobicContact CD2-CG2 4.47Å; L586-I611 HydrophobicContact CG-CD1 4.01Å; I589-I611 HydrophobicContact CD1-CD1 3.59Å; S607-I611 WeakPolarHBondContact O-CG1 3.38Å; S607-I611 PolarHBondContact O-N 3.41Å; L608-I611 PolarHBondContact O-N 3.25Å; I611-K613 PolarHBondContact O-N 2.77Å; I611-H614 PolarHBondContact O-N 2.89Å; I611-F615 WeakPolarHBondContact O-CB 3.22Å; I611-F615 PolarHBondContact O-N 2.92Å; I611-L649 HydrophobicContact CG2-CD2 4.49Å
612M90.9Very high89.8Confident12 Ų1237 Ų376%0.05919%0.186CC..Hα-helixtrans-65.5-36.7179.2-65.9-84.275.200113L608 L610 W616 L649 M677 L680L608-M612 HydrophobicContact CD1-CG 4.28Å; L608-M612 WeakPolarHBondContact O-CB 3.47Å; L608-M612 VanDerWaalsContact O-CG 3.23Å; L608-M612 WeakPolarHBondContact O-CG 3.32Å; L608-M612 PolarHBondContact O-N 2.82Å; L610-M612 VanDerWaalsContact C-N 3.3Å; L610-M612 PolarHBondContact O-N 2.79Å; M612-W616 HydrophobicContact CE-CB 4.03Å; M612-W616 HydrophobicContact CE-CD2 4.07Å; M612-W616 HydrophobicContact CE-CE3 3.77Å; M612-W616 HydrophobicContact CE-CG 4.2Å; M612-W616 WeakPolarHBondContact O-CB 3.4Å; M612-L649 HydrophobicContact CE-CD1 3.59Å; M612-L649 HydrophobicContact CE-CD2 3.55Å; M612-L649 HydrophobicContact CE-CG 4.12Å; M612-L649 HydrophobicContact SD-CD2 4.09Å; M612-M677 HydrophobicContact CG-CG 4.27Å; M612-M677 HydrophobicContact SD-CE 4.37Å; M612-M677 HydrophobicContact SD-CG 3.63Å; M612-L680 HydrophobicContact CE-CD1 4.3Å; M612-L680 HydrophobicContact SD-CD1 3.87Å
613K89Confident89.5Confident125 Ų12536 Ų3654%0.54318%0.183SC..Hα-helixtrans-74-31.8178.6-77.7-171.3174.4-159.60114.5K609 L610 I611K609-K613 WeakPolarHBondContact O-CB 3.3Å; K609-K613 WeakPolarHBondContact O-CG 3.49Å; K609-K613 PolarHBondContact O-N 3.11Å; K609-K613 VanDerWaalsContact O-N 3.1Å; L610-K613 PolarHBondContact O-N 3.27Å; I611-K613 PolarHBondContact O-N 2.77Å
614H88.2Confident89.1Confident101 Ų10144 Ų4447%0.46821%0.213SC..Hα-helixtrans-108.5-25-171-66.1-69000114.9L610 I611L610-H614 PolarHBondContact O-CD2 3Å; L610-H614 VanDerWaalsContact O-CD2 3.31Å; L610-H614 PolarHBondContact O-N 3.01Å; I611-H614 PolarHBondContact O-N 2.89Å
615F90.3Very high88.3Confident26 Ų2646.2 Ų46.211%0.11423%0.231CC..Hα-helixtrans-118.5-9.9-173-62-89.8000114.1W577 I611 L618 I619W577-F615 HydrophobicContact CB-CE2 3.59Å; W577-F615 HydrophobicContact CB-CZ 3.69Å; W577-F615 HydrophobicContact CG-CE2 4.41Å; I611-F615 WeakPolarHBondContact O-CB 3.22Å; I611-F615 PolarHBondContact O-N 2.92Å; F615-L618 HydrophobicContact CD1-CD2 4.41Å; F615-L618 PolarHBondContact O-N 2.74Å; F615-I619 HydrophobicContact CB-CD1 4.24Å; F615-I619 WeakPolarHBondContact O-CB 3.47Å; F615-I619 WeakPolarHBondContact O-CD1 3.35Å; F615-I619 VanDerWaalsContact O-CG1 3.24Å; F615-I619 WeakPolarHBondContact O-CG1 3.5Å; F615-I619 PolarHBondContact O-N 3.22Å
616W88.8Confident87.2Confident33 Ų3350.6 Ų50.613%0.12526%0.261CS..Hα-helixtrans-63.5-48.4-176179.5-126000113.8M612 I619 C620 P679 L680 A683M612-W616 HydrophobicContact CE-CB 4.03Å; M612-W616 HydrophobicContact CE-CD2 4.07Å; M612-W616 HydrophobicContact CE-CE3 3.77Å; M612-W616 HydrophobicContact CE-CG 4.2Å; M612-W616 WeakPolarHBondContact O-CB 3.4Å; W616-I619 HydrophobicContact CZ3-CG2 4.34Å; W616-I619 PolarHBondContact O-N 2.95Å; W616-C620 VanDerWaalsContact CH2-SG 3.59Å; W616-C620 WeakPolarHBondContact CZ2-SG 3.14Å; W616-C620 PolarHBondContact O-N 3.1Å; W616-C620 PolarHBondContact O-SG 2.82Å; W616-P679 HydrophobicContact CZ2-CB 4.22Å; W616-P679 WeakPolarHBondContact CZ2-O 3.24Å; W616-L680 HydrophobicContact CE3-CD2 4.22Å; W616-L680 HydrophobicContact CE3-CG 4.38Å; W616-L680 HydrophobicContact CH2-CB 4.3Å; W616-L680 HydrophobicContact CH2-CD2 3.36Å; W616-L680 HydrophobicContact CH2-CG 3.56Å; W616-L680 HydrophobicContact CZ2-CD2 4.27Å; W616-L680 HydrophobicContact CZ2-CG 3.96Å; W616-L680 HydrophobicContact CZ3-CD2 3.33Å; W616-L680 HydrophobicContact CZ3-CG 3.79Å; W616-A683 HydrophobicContact CZ2-CB 4.46Å
617T86.3Confident85.8Confident89 Ų8954.2 Ų54.255%0.54629%0.286SS..Hα-helixtrans-57.8-51.2175.5460000110.5I619 C620 D621T617-I619 VanDerWaalsContact C-N 3.3Å; T617-I619 PolarHBondContact O-N 3.4Å; T617-C620 WeakPolarHBondContact O-CA 3.36Å; T617-C620 WeakPolarHBondContact O-CB 3.2Å; T617-C620 PolarHBondContact O-N 3.13Å; T617-D621 VanDerWaalsContact O-CG 3.24Å; T617-D621 PolarHBondContact O-N 3.44Å
618L86.9Confident83.9Confident49 Ų4956.4 Ų56.426%0.25730%0.304SS..Hα-helixtrans-55.4-42.7177174.461.2000112.8F615 T622 R638F615-L618 HydrophobicContact CD1-CD2 4.41Å; F615-L618 PolarHBondContact O-N 2.74Å; L618-T622 WeakPolarHBondContact O-CB 3.03Å; L618-T622 PolarHBondContact O-N 2.59Å; L618-T622 PolarHBondContact O-OG1 2.75Å; L618-R638 VanDerWaalsContact CD1-NH2 3.27Å
619I86.3Confident82.1Confident0 Ų064 Ų640%035%0.35CS..Hα-helixtrans-64.7-44.9176.3-71162.9000110.4L579 F615 W616 T617 L623 C642 C645 C646 L649L579-I619 HydrophobicContact CD1-CG1 4.46Å; F615-I619 HydrophobicContact CB-CD1 4.24Å; F615-I619 WeakPolarHBondContact O-CB 3.47Å; F615-I619 WeakPolarHBondContact O-CD1 3.35Å; F615-I619 VanDerWaalsContact O-CG1 3.24Å; F615-I619 WeakPolarHBondContact O-CG1 3.5Å; F615-I619 PolarHBondContact O-N 3.22Å; W616-I619 HydrophobicContact CZ3-CG2 4.34Å; W616-I619 PolarHBondContact O-N 2.95Å; T617-I619 VanDerWaalsContact C-N 3.3Å; T617-I619 PolarHBondContact O-N 3.4Å; I619-L623 HydrophobicContact CG2-CD1 3.77Å; I619-L623 WeakPolarHBondContact O-CB 3.35Å; I619-L623 WeakPolarHBondContact O-CD1 3.19Å; I619-L623 WeakPolarHBondContact O-CG 3.34Å; I619-L623 PolarHBondContact O-N 3.04Å; I619-L623 VanDerWaalsContact O-N 3.1Å; I619-C642 HydrophobicContact CG1-CB 4.41Å; I619-C642 HydrophobicContact CG2-CB 4.39Å; I619-C645 HydrophobicContact CD1-CB 3.75Å; I619-C645 HydrophobicContact CG1-CB 4.44Å; I619-C646 HydrophobicContact CG2-CB 4.13Å; I619-L649 HydrophobicContact CD1-CD1 3.98Å
620C85.4Confident80.6Confident13 Ų1364 Ų649%0.08837%0.367CS..Hα-helixtrans-59.4-51176.6-68.70000112.1W616 T617 L623 R624W616-C620 VanDerWaalsContact CH2-SG 3.59Å; W616-C620 WeakPolarHBondContact CZ2-SG 3.14Å; W616-C620 PolarHBondContact O-N 3.1Å; W616-C620 PolarHBondContact O-SG 2.82Å; T617-C620 WeakPolarHBondContact O-CA 3.36Å; T617-C620 WeakPolarHBondContact O-CB 3.2Å; T617-C620 PolarHBondContact O-N 3.13Å; C620-L623 PolarHBondContact O-N 2.85Å; C620-L623 VanDerWaalsContact O-N 3.16Å; C620-R624 WeakPolarHBondContact O-CB 3.49Å; C620-R624 VanDerWaalsContact O-CG 3.29Å; C620-R624 WeakPolarHBondContact O-CG 3.21Å; C620-R624 PolarHBondContact O-N 3.02Å
621D84.1Confident79Confident92 Ų9269.6 Ų69.649%0.49240%0.402SS..Hα-helixtrans-71.6-36.3-172.6-58-29.6000110.9T617 L623 R624 A625T617-D621 VanDerWaalsContact O-CG 3.24Å; T617-D621 PolarHBondContact O-N 3.44Å; D621-L623 VanDerWaalsContact C-N 3.28Å; D621-L623 PolarHBondContact O-N 3.09Å; D621-R624 PolarHBondContact O-N 2.89Å; D621-A625 WeakPolarHBondContact O-CB 3.47Å; D621-A625 PolarHBondContact O-N 2.83Å
622T84.1Confident77.8Confident21 Ų2173.1 Ų73.113%0.12942%0.42CS..Hα-helixtrans-64.8-30.8172.1-53.90000112.3L618 R638 H639 C642L618-T622 WeakPolarHBondContact O-CB 3.03Å; L618-T622 PolarHBondContact O-N 2.59Å; L618-T622 PolarHBondContact O-OG1 2.75Å; T622-R638 HydrophobicContact CG2-CG 4.31Å; T622-H639 HydrophobicContact CG2-CB 4.26Å; T622-H639 PolarHBondContact O-CE1 2.97Å; T622-H639 PolarHBondContact O-ND1 2.59Å; T622-C642 HydrophobicContact CG2-CB 4.12Å
623L84.7Confident76.7Confident55 Ų5578 Ų7829%0.28845%0.445SS..Hα-helixtrans-86.4-27.1178.5-69.6173.8000113.6I619 C620 D621 C642 R643 C646I619-L623 HydrophobicContact CG2-CD1 3.77Å; I619-L623 WeakPolarHBondContact O-CB 3.35Å; I619-L623 WeakPolarHBondContact O-CD1 3.19Å; I619-L623 WeakPolarHBondContact O-CG 3.34Å; I619-L623 PolarHBondContact O-N 3.04Å; I619-L623 VanDerWaalsContact O-N 3.1Å; C620-L623 PolarHBondContact O-N 2.85Å; C620-L623 VanDerWaalsContact O-N 3.16Å; D621-L623 VanDerWaalsContact C-N 3.28Å; D621-L623 PolarHBondContact O-N 3.09Å; L623-C642 HydrophobicContact CD2-CB 4.32Å; L623-C642 HydrophobicContact CG-CB 4.24Å; L623-R643 HydrophobicContact CD2-CB 4.35Å; L623-R643 HydrophobicContact CD2-CG 3.46Å; L623-R643 VanDerWaalsContact CD2-CG 3.46Å; L623-C646 HydrophobicContact CD1-CB 3.8Å
624R83.2Confident76Confident174 Ų17477 Ų7766%0.65745%0.45SS*.Hα-helixtrans-82.1-22.3174.6-72.5169.5175.9161.5-3.3113.3C620 D621 S626C620-R624 WeakPolarHBondContact O-CB 3.49Å; C620-R624 VanDerWaalsContact O-CG 3.29Å; C620-R624 WeakPolarHBondContact O-CG 3.21Å; C620-R624 PolarHBondContact O-N 3.02Å; D621-R624 PolarHBondContact O-N 2.89Å; R624-S626 PolarHBondContact O-N 2.89Å
625A77.4Confident75.4Confident47 Ų4777.3 Ų77.339%0.38845%0.447SS..SBendtrans-59.5132.8177.100000111.4D621D621-A625 WeakPolarHBondContact O-CB 3.47Å; D621-A625 PolarHBondContact O-N 2.83Å
626S69.9Low75Confident95 Ų9580.8 Ų80.866%0.66446%0.463SS*.PPolyproline II helixtrans-54.9145.4178.1-64.20000111.7R624 A628 R635R624-S626 PolarHBondContact O-N 2.89Å; S626-A628 PolarHBondContact O-N 3.5Å; S626-R635 PolarHBondContact O-NH2 3.28Å
627P63.3Low74.7Confident125 Ų12583.6 Ų83.681%0.81248%0.478SS*.PPolyproline II helixtrans-58.5139.6175.525.3-34.1000110.5
628A53.6Low74.6Confident45 Ų4585.5 Ų85.537%0.37248%0.475SS..PPolyproline II helixtrans-73.2136.8-177.200000111.2S626 G630S626-A628 PolarHBondContact O-N 3.5Å; A628-G630 VanDerWaalsContact C-N 3.26Å; A628-G630 PolarHBondContact O-N 2.95Å
629V55.4Low74.6Confident160 Ų16084.4 Ų84.497%0.9747%0.469SS*.SBendtrans-83.375.2170.6-174.90000108.5
630G61.3Low74.7Confident59 Ų5989.3 Ų89.361%0.60849%0.492SS*.SBendtrans161.3177.8-17800000112.7A628A628-G630 VanDerWaalsContact C-N 3.26Å; A628-G630 PolarHBondContact O-N 2.95Å
631V57.4Low74.8Confident141 Ų14190.8 Ų90.886%0.85550%0.497SS*.  trans-10489175.3-176.40000109I633V631-I633 HydrophobicContact CG1-CG1 4.22Å
632D67.4Low75.1Confident73 Ų7386.4 Ų86.439%0.3947%0.473SS..  trans-105.899.5174179.6-6.8000109.1T634 R635 E636D632-T634 PolarHBondContact OD1-N 2.99Å; D632-T634 PolarHBondContact OD1-OG1 2.91Å; D632-R635 HydrophobicContact CB-CB 4.01Å; D632-R635 PolarHBondContact OD1-N 3.44Å; D632-R635 VanDerWaalsContact OD1-N 3.13Å; D632-R635 WeakPolarHBondContact OD2-CB 3.5Å; D632-E636 WeakPolarHBondContact O-CB 3.44Å; D632-E636 PolarHBondContact O-N 2.83Å
633I68.4Low75.4Confident115 Ų11592.1 Ų92.159%0.5949%0.492SS*.Hα-helixtrans-69-38.1-171.8-58.4174.5000111.1V631 E636 E637V631-I633 HydrophobicContact CG1-CG1 4.22Å; I633-E636 PolarHBondContact O-N 3.46Å; I633-E637 WeakPolarHBondContact O-CB 3.27Å; I633-E637 WeakPolarHBondContact O-CG 3.41Å; I633-E637 PolarHBondContact O-N 2.63Å
634T74.6Confident75.6Confident104 Ų10492.4 Ų92.464%0.63849%0.492SS*.Hα-helixtrans-74.8-33.6-177.263.70000111.2D632 R638D632-T634 PolarHBondContact OD1-N 2.99Å; D632-T634 PolarHBondContact OD1-OG1 2.91Å; T634-R638 VanDerWaalsContact O-CB 3.29Å; T634-R638 WeakPolarHBondContact O-CB 3.13Å; T634-R638 PolarHBondContact O-N 3.19Å
635R75.4Confident76Confident108 Ų10884.1 Ų84.141%0.40846%0.461SS..Hα-helixtrans-67.8-43169.9-179.1174.1172.9164.1-4.3112.4S626 D632 R638 H639S626-R635 PolarHBondContact O-NH2 3.28Å; D632-R635 HydrophobicContact CB-CB 4.01Å; D632-R635 PolarHBondContact OD1-N 3.44Å; D632-R635 VanDerWaalsContact OD1-N 3.13Å; D632-R635 WeakPolarHBondContact OD2-CB 3.5Å; R635-R638 PolarHBondContact O-N 3.06Å; R635-H639 VanDerWaalsContact O-CB 3.26Å; R635-H639 WeakPolarHBondContact O-CB 3.27Å; R635-H639 PolarHBondContact O-N 3.47Å
636E80.7Confident76.6Confident98 Ų9882.7 Ų82.746%0.45845%0.448SS..Hα-helixtrans-67.9-40177-167.858.8-146.700111.4D632 I633 R638 H639 Q640D632-E636 WeakPolarHBondContact O-CB 3.44Å; D632-E636 PolarHBondContact O-N 2.83Å; I633-E636 PolarHBondContact O-N 3.46Å; E636-R638 PolarHBondContact O-N 2.93Å; E636-H639 PolarHBondContact O-N 2.85Å; E636-Q640 WeakPolarHBondContact O-CB 3.12Å; E636-Q640 PolarHBondContact O-N 2.86Å
637E83.1Confident77.6Confident93 Ų9383.7 Ų83.744%0.43544%0.437SS..Hα-helixtrans-57.3-46.7170.1-85.1-170.9-144.400112.1I633 H639 Q640 K641I633-E637 WeakPolarHBondContact O-CB 3.27Å; I633-E637 WeakPolarHBondContact O-CG 3.41Å; I633-E637 PolarHBondContact O-N 2.63Å; E637-H639 VanDerWaalsContact C-N 3.32Å; E637-H639 PolarHBondContact O-N 2.66Å; E637-Q640 PolarHBondContact O-N 3.26Å; E637-K641 WeakPolarHBondContact O-CB 3.41Å; E637-K641 WeakPolarHBondContact O-CD 3.32Å; E637-K641 WeakPolarHBondContact O-CG 3.49Å; E637-K641 PolarHBondContact O-N 3.47Å; E637-K641 IonicContact OE2-NZ 2.72Å; E637-K641 PolarHBondContact OE2-NZ 3.31Å
638R83.4Confident79Confident128 Ų12880.7 Ų80.748%0.48341%0.41SS..Hα-helixtrans-62.9-40.8177.8-173.2-177.4-174.5157.12.3111.1L579 L618 T622 T634 R635 E636 C642L579-R638 HydrophobicContact CD2-CG 4.01Å; L618-R638 VanDerWaalsContact CD1-NH2 3.27Å; T622-R638 HydrophobicContact CG2-CG 4.31Å; T634-R638 VanDerWaalsContact O-CB 3.29Å; T634-R638 WeakPolarHBondContact O-CB 3.13Å; T634-R638 PolarHBondContact O-N 3.19Å; R635-R638 PolarHBondContact O-N 3.06Å; E636-R638 PolarHBondContact O-N 2.93Å; R638-C642 WeakPolarHBondContact O-CB 3.33Å; R638-C642 PolarHBondContact O-N 3.43Å; R638-C642 PolarHBondContact O-SG 3.3Å
639H86.6Confident80.8Confident27 Ų2778.5 Ų78.513%0.12539%0.393CS..Hα-helixtrans-69.2-41.3178.2-172.186.3000111.5T622 R635 E636 E637 C642 R643T622-H639 HydrophobicContact CG2-CB 4.26Å; T622-H639 PolarHBondContact O-CE1 2.97Å; T622-H639 PolarHBondContact O-ND1 2.59Å; R635-H639 VanDerWaalsContact O-CB 3.26Å; R635-H639 WeakPolarHBondContact O-CB 3.27Å; R635-H639 PolarHBondContact O-N 3.47Å; E636-H639 PolarHBondContact O-N 2.85Å; E637-H639 VanDerWaalsContact C-N 3.32Å; E637-H639 PolarHBondContact O-N 2.66Å; H639-C642 PolarHBondContact O-N 2.85Å; H639-R643 VanDerWaalsContact CD2-CZ 3.49Å; H639-R643 PolarHBondContact CD2-NE 2.78Å; H639-R643 PolarHBondContact CD2-NH2 3.27Å; H639-R643 VanDerWaalsContact NE2-CZ 3.3Å; H639-R643 PolarHBondContact NE2-NE 2.95Å; H639-R643 PolarHBondContact NE2-NH2 3.09Å; H639-R643 WeakPolarHBondContact O-CG 3.3Å; H639-R643 PolarHBondContact O-N 2.83Å
640Q88.1Confident82.3Confident102 Ų10274.1 Ų74.148%0.47736%0.36SS..Hα-helixtrans-60.1-49.7170.9-178.8-178.2-2100111.4E636 E637 C642 R643 E644E636-Q640 WeakPolarHBondContact O-CB 3.12Å; E636-Q640 PolarHBondContact O-N 2.86Å; E637-Q640 PolarHBondContact O-N 3.26Å; Q640-C642 VanDerWaalsContact C-N 3.26Å; Q640-C642 PolarHBondContact O-N 3.28Å; Q640-R643 WeakPolarHBondContact O-CB 3.44Å; Q640-R643 PolarHBondContact O-N 2.85Å; Q640-E644 PolarHBondContact NE2-OE1 3.48Å; Q640-E644 PolarHBondContact O-N 2.87Å
641K89.6Confident83.6Confident45 Ų4575.8 Ų75.820%0.19636%0.355CS..Hα-helixtrans-58.2-38.3176.2-70.7165.4-175.9178.10111.4L579 D580 T583 E637 C645L579-K641 HydrophobicContact CD2-CB 3.79Å; L579-K641 HydrophobicContact CG-CB 4.04Å; D580-K641 WeakPolarHBondContact OD1-CD 3.11Å; D580-K641 WeakPolarHBondContact OD1-CE 3.37Å; D580-K641 IonicContact OD1-NZ 2.66Å; D580-K641 PolarHBondContact OD1-NZ 2.58Å; D580-K641 IonicContact OD2-NZ 2.64Å; D580-K641 PolarHBondContact OD2-NZ 3.4Å; T583-K641 HydrophobicContact CG2-CB 4.22Å; T583-K641 HydrophobicContact CG2-CG 4.37Å; E637-K641 WeakPolarHBondContact O-CB 3.41Å; E637-K641 WeakPolarHBondContact O-CD 3.32Å; E637-K641 WeakPolarHBondContact O-CG 3.49Å; E637-K641 PolarHBondContact O-N 3.47Å; E637-K641 IonicContact OE2-NZ 2.72Å; E637-K641 PolarHBondContact OE2-NZ 3.31Å; K641-C645 WeakPolarHBondContact O-CB 3.42Å; K641-C645 PolarHBondContact O-N 3.06Å; K641-C645 PolarHBondContact O-SG 2.99Å; K641-C645 VanDerWaalsContact O-SG 3.35Å
642C89.5Confident85.2Confident0 Ų069.2 Ų69.20%032%0.315CS..Hα-helixtrans-68-40.1172.8-68.80000113.1I619 T622 L623 R638 H639 Q640 C646I619-C642 HydrophobicContact CG1-CB 4.41Å; I619-C642 HydrophobicContact CG2-CB 4.39Å; T622-C642 HydrophobicContact CG2-CB 4.12Å; L623-C642 HydrophobicContact CD2-CB 4.32Å; L623-C642 HydrophobicContact CG-CB 4.24Å; R638-C642 WeakPolarHBondContact O-CB 3.33Å; R638-C642 PolarHBondContact O-N 3.43Å; R638-C642 PolarHBondContact O-SG 3.3Å; H639-C642 PolarHBondContact O-N 2.85Å; Q640-C642 VanDerWaalsContact C-N 3.26Å; Q640-C642 PolarHBondContact O-N 3.28Å; C642-C646 VanDerWaalsContact O-CB 3.25Å; C642-C646 WeakPolarHBondContact O-CB 3.43Å; C642-C646 PolarHBondContact O-N 2.92Å
643R89.5Confident86.3Confident140 Ų14065.9 Ų65.953%0.52830%0.298SS..Hα-helixtrans-61-44172.9-72.5-178.5-173.1175.79.4111.3L623 H639 Q640 C646 R647L623-R643 HydrophobicContact CD2-CB 4.35Å; L623-R643 HydrophobicContact CD2-CG 3.46Å; L623-R643 VanDerWaalsContact CD2-CG 3.46Å; H639-R643 VanDerWaalsContact CD2-CZ 3.49Å; H639-R643 PolarHBondContact CD2-NE 2.78Å; H639-R643 PolarHBondContact CD2-NH2 3.27Å; H639-R643 VanDerWaalsContact NE2-CZ 3.3Å; H639-R643 PolarHBondContact NE2-NE 2.95Å; H639-R643 PolarHBondContact NE2-NH2 3.09Å; H639-R643 WeakPolarHBondContact O-CG 3.3Å; H639-R643 PolarHBondContact O-N 2.83Å; Q640-R643 WeakPolarHBondContact O-CB 3.44Å; Q640-R643 PolarHBondContact O-N 2.85Å; R643-C646 PolarHBondContact O-N 2.94Å; R643-R647 WeakPolarHBondContact O-CB 3.33Å; R643-R647 PolarHBondContact O-N 3.49Å
644E90.3Very high87.1Confident61 Ų6164.8 Ų64.829%0.28529%0.293SS..Hα-helixtrans-66-47.6178-74.1-177.5-149.800112.1Q640 C646 R647 Y648Q640-E644 PolarHBondContact NE2-OE1 3.48Å; Q640-E644 PolarHBondContact O-N 2.87Å; E644-C646 VanDerWaalsContact C-N 3.33Å; E644-C646 PolarHBondContact O-N 2.84Å; E644-R647 WeakPolarHBondContact O-CB 3.44Å; E644-R647 PolarHBondContact O-N 3.36Å; E644-Y648 HydrophobicContact CB-CE2 4.48Å; E644-Y648 WeakPolarHBondContact O-CD2 3.17Å; E644-Y648 PolarHBondContact O-N 2.55Å
645C91.8Very high87.8Confident0 Ų061.1 Ų61.10%027%0.271CS..Hα-helixtrans-55.7-47.1172-76.40000111.6L586 I619 K641 R647 Y648 L649L586-C645 HydrophobicContact CD1-CB 3.94Å; I619-C645 HydrophobicContact CD1-CB 3.75Å; I619-C645 HydrophobicContact CG1-CB 4.44Å; K641-C645 WeakPolarHBondContact O-CB 3.42Å; K641-C645 PolarHBondContact O-N 3.06Å; K641-C645 PolarHBondContact O-SG 2.99Å; K641-C645 VanDerWaalsContact O-SG 3.35Å; C645-R647 PolarHBondContact O-N 2.76Å; C645-Y648 PolarHBondContact O-N 2.91Å; C645-L649 WeakPolarHBondContact O-CB 3.38Å; C645-L649 WeakPolarHBondContact O-CD1 3.16Å; C645-L649 WeakPolarHBondContact O-CG 3.34Å; C645-L649 PolarHBondContact O-N 3.26Å
646C90Very high88.4Confident18 Ų1856 Ų5612%0.12225%0.252CS..Hα-helixtrans-59-43.6176.9-172.50000112.2I619 L623 C642 R643 E644 L649 K650I619-C646 HydrophobicContact CG2-CB 4.13Å; L623-C646 HydrophobicContact CD1-CB 3.8Å; C642-C646 VanDerWaalsContact O-CB 3.25Å; C642-C646 WeakPolarHBondContact O-CB 3.43Å; C642-C646 PolarHBondContact O-N 2.92Å; R643-C646 PolarHBondContact O-N 2.94Å; E644-C646 VanDerWaalsContact C-N 3.33Å; E644-C646 PolarHBondContact O-N 2.84Å; C646-L649 PolarHBondContact O-N 3.42Å; C646-K650 WeakPolarHBondContact O-CG 3.34Å; C646-K650 PolarHBondContact O-N 2.85Å
647R90.7Very high88.6Confident116 Ų11654.5 Ų54.544%0.43824%0.243SC..Hα-helixtrans-59.3-47.3175.1179.9179.159.574.3-0.3112R643 E644 C645 K650 N651R643-R647 WeakPolarHBondContact O-CB 3.33Å; R643-R647 PolarHBondContact O-N 3.49Å; E644-R647 WeakPolarHBondContact O-CB 3.44Å; E644-R647 PolarHBondContact O-N 3.36Å; C645-R647 PolarHBondContact O-N 2.76Å; R647-K650 PolarHBondContact O-N 2.79Å; R647-N651 PolarHBondContact O-N 2.97Å
648Y92Very high88.7Confident61 Ų6156.5 Ų56.524%0.23926%0.257CS..Hα-helixtrans-65.8-39.7176.8-69.5-63.7000112.2L586 P587 E644 C645 N651 L652L586-Y648 HydrophobicContact CB-CD2 4.37Å; L586-Y648 HydrophobicContact CB-CG 4.18Å; P587-Y648 HydrophobicContact CB-CE1 4.46Å; P587-Y648 HydrophobicContact CG-CD1 4.28Å; P587-Y648 HydrophobicContact CG-CD2 4.47Å; P587-Y648 HydrophobicContact CG-CE1 3.82Å; P587-Y648 HydrophobicContact CG-CE2 4.05Å; E644-Y648 HydrophobicContact CB-CE2 4.48Å; E644-Y648 WeakPolarHBondContact O-CD2 3.17Å; E644-Y648 PolarHBondContact O-N 2.55Å; C645-Y648 PolarHBondContact O-N 2.91Å; Y648-N651 PolarHBondContact O-N 2.82Å; Y648-L652 VanDerWaalsContact O-CG 3.32Å; Y648-L652 WeakPolarHBondContact O-CG 3.29Å; Y648-L652 PolarHBondContact O-N 3.2Å
649L91.3Very high88.7Confident0 Ų053 Ų530%024%0.244CC..Hα-helixtrans-64.8-38.4177.8-72.1164.2000112.6L586 L608 I611 M612 I619 C645 C646 L652 S653 M677 L680L586-L649 HydrophobicContact CD1-CG 4.21Å; L586-L649 HydrophobicContact CD2-CD2 3.67Å; L586-L649 HydrophobicContact CD2-CG 4.1Å; L608-L649 HydrophobicContact CD1-CD2 3.67Å; I611-L649 HydrophobicContact CG2-CD2 4.49Å; M612-L649 HydrophobicContact CE-CD1 3.59Å; M612-L649 HydrophobicContact CE-CD2 3.55Å; M612-L649 HydrophobicContact CE-CG 4.12Å; M612-L649 HydrophobicContact SD-CD2 4.09Å; I619-L649 HydrophobicContact CD1-CD1 3.98Å; C645-L649 WeakPolarHBondContact O-CB 3.38Å; C645-L649 WeakPolarHBondContact O-CD1 3.16Å; C645-L649 WeakPolarHBondContact O-CG 3.34Å; C645-L649 PolarHBondContact O-N 3.26Å; C646-L649 PolarHBondContact O-N 3.42Å; L649-L652 PolarHBondContact O-N 3.48Å; L649-S653 PolarHBondContact O-N 3.07Å; L649-M677 VanDerWaalsContact O-CE 3.29Å; L649-M677 WeakPolarHBondContact O-CE 3.22Å; L649-L680 HydrophobicContact CB-CD1 4.23Å; L649-L680 HydrophobicContact CB-CD2 3.9Å
650K87.7Confident88.2Confident68 Ų6852 Ų5230%0.29624%0.24SC..Hα-helixtrans-64.3-40.4172.7-73.7-173174.9-169.30111.9C646 R647 S653 L680C646-K650 WeakPolarHBondContact O-CG 3.34Å; C646-K650 PolarHBondContact O-N 2.85Å; R647-K650 PolarHBondContact O-N 2.79Å; K650-S653 WeakPolarHBondContact O-CB 3.14Å; K650-S653 PolarHBondContact O-N 3.44Å; K650-L680 HydrophobicContact CG-CD2 4.15Å
651N89.1Confident87.5Confident94 Ų9450.5 Ų50.550%0.50325%0.252SS..Hα-helixtrans-63.1-45.4172.8-71.44.5000112R647 Y648 S653 N654 V655R647-N651 PolarHBondContact O-N 2.97Å; Y648-N651 PolarHBondContact O-N 2.82Å; N651-S653 VanDerWaalsContact C-N 3.32Å; N651-S653 PolarHBondContact O-N 3.29Å; N651-N654 PolarHBondContact O-N 3.02Å; N651-V655 PolarHBondContact O-N 3.17Å
652L90.6Very high86.9Confident2 Ų253.1 Ų53.11%0.0127%0.265CS..Hα-helixtrans-64.1-33.6177.9-71.6170.8000112.8L586 I589 D590 L593 L608 Y648 L649 N654 V655 V656 M677L586-L652 HydrophobicContact CD2-CD1 3.61Å; I589-L652 HydrophobicContact CB-CD1 4.41Å; I589-L652 HydrophobicContact CG2-CD1 3.94Å; I589-L652 HydrophobicContact CG2-CD2 3.96Å; D590-L652 HydrophobicContact CB-CD2 3.78Å; L593-L652 HydrophobicContact CD1-CD2 4.29Å; L608-L652 HydrophobicContact CD1-CD1 4.03Å; Y648-L652 VanDerWaalsContact O-CG 3.32Å; Y648-L652 WeakPolarHBondContact O-CG 3.29Å; Y648-L652 PolarHBondContact O-N 3.2Å; L649-L652 PolarHBondContact O-N 3.48Å; L652-N654 VanDerWaalsContact C-N 3.27Å; L652-N654 PolarHBondContact O-N 3.1Å; L652-V655 PolarHBondContact O-N 2.67Å; L652-V655 VanDerWaalsContact O-N 3.13Å; L652-V656 WeakPolarHBondContact O-CB 3.05Å; L652-V656 WeakPolarHBondContact O-CG2 3.25Å; L652-V656 PolarHBondContact O-N 2.73Å; L652-M677 HydrophobicContact CB-CE 4.17Å
653S89.4Confident85.8Confident4 Ų458.2 Ų58.23%0.02831%0.307CS..Hα-helixtrans-54.9-43.9174.9-175.50000111.3L649 K650 N651 V656 K657L649-S653 PolarHBondContact O-N 3.07Å; K650-S653 WeakPolarHBondContact O-CB 3.14Å; K650-S653 PolarHBondContact O-N 3.44Å; N651-S653 VanDerWaalsContact C-N 3.32Å; N651-S653 PolarHBondContact O-N 3.29Å; S653-V656 PolarHBondContact O-N 3.48Å; S653-K657 WeakPolarHBondContact O-CB 3.42Å; S653-K657 VanDerWaalsContact O-CG 3.23Å; S653-K657 WeakPolarHBondContact O-CG 3.42Å; S653-K657 PolarHBondContact O-N 2.73Å; S653-K657 VanDerWaalsContact OG-CE 3.24Å; S653-K657 WeakPolarHBondContact OG-CE 3.43Å; S653-K657 PolarHBondContact OG-NZ 3.27Å
654N86.7Confident85Confident91 Ų9154.1 Ų54.149%0.48731%0.309SS..Hα-helixtrans-66.2-39.5177.8-63.8-25000112.4N651 L652 N658N651-N654 PolarHBondContact O-N 3.02Å; L652-N654 VanDerWaalsContact C-N 3.27Å; L652-N654 PolarHBondContact O-N 3.1Å; N654-N658 WeakPolarHBondContact O-CB 3.37Å; N654-N658 PolarHBondContact O-N 3.37Å; N654-N658 PolarHBondContact O-ND2 3Å
655V87.6Confident83.9Confident28 Ų2861 Ų6117%0.1733%0.332CS..Hα-helixtrans-66.1-41.7176.1179.20000111.3Q594 N651 L652 N658 R659Q594-V655 HydrophobicContact CG-CG1 4.2Å; N651-V655 PolarHBondContact O-N 3.17Å; L652-V655 PolarHBondContact O-N 2.67Å; L652-V655 VanDerWaalsContact O-N 3.13Å; V655-N658 PolarHBondContact O-N 3.38Å; V655-R659 PolarHBondContact O-N 2.96Å; V655-R659 VanDerWaalsContact O-N 3.15Å
656V88.7Confident82.9Confident1 Ų162 Ų621%0.00634%0.337CS..Hα-helixtrans-64.8-47.5176.1168.60000111L593 L608 L652 S653 N658 R659 A660 F670 L673 Q674 M677L593-V656 HydrophobicContact CD1-CG2 4.14Å; L608-V656 HydrophobicContact CD2-CG2 4.09Å; L652-V656 WeakPolarHBondContact O-CB 3.05Å; L652-V656 WeakPolarHBondContact O-CG2 3.25Å; L652-V656 PolarHBondContact O-N 2.73Å; S653-V656 PolarHBondContact O-N 3.48Å; V656-N658 VanDerWaalsContact C-N 3.34Å; V656-N658 PolarHBondContact O-N 2.84Å; V656-R659 CarbonylContact O-C 3.43Å; V656-R659 PolarHBondContact O-N 3.43Å; V656-R659 VanDerWaalsContact O-N 3.11Å; V656-A660 WeakPolarHBondContact O-CB 3.33Å; V656-A660 PolarHBondContact O-N 2.78Å; V656-F670 HydrophobicContact CG1-CD1 4.43Å; V656-F670 WeakPolarHBondContact CG1-O 3.26Å; V656-F670 HydrophobicContact CG2-CD1 4.33Å; V656-L673 HydrophobicContact CG1-CB 3.82Å; V656-L673 HydrophobicContact CG2-CB 4.46Å; V656-L673 HydrophobicContact CG2-CD1 4.47Å; V656-Q674 HydrophobicContact CG1-CB 4.12Å; V656-M677 HydrophobicContact CB-SD 4.35Å; V656-M677 HydrophobicContact CG1-SD 4.47Å; V656-M677 HydrophobicContact CG2-SD 4.02Å
657K85.9Confident82.4Confident66 Ų6661.5 Ų61.529%0.28733%0.334SS..Hα-helixtrans-56.3-46.1175.5-73.8165.9-175.5172.20111.8S653 R659 A660 Q674 D681S653-K657 WeakPolarHBondContact O-CB 3.42Å; S653-K657 VanDerWaalsContact O-CG 3.23Å; S653-K657 WeakPolarHBondContact O-CG 3.42Å; S653-K657 PolarHBondContact O-N 2.73Å; S653-K657 VanDerWaalsContact OG-CE 3.24Å; S653-K657 WeakPolarHBondContact OG-CE 3.43Å; S653-K657 PolarHBondContact OG-NZ 3.27Å; K657-R659 VanDerWaalsContact C-N 3.28Å; K657-R659 PolarHBondContact O-N 3.12Å; K657-A660 PolarHBondContact O-N 3.37Å; K657-Q674 HydrophobicContact CG-CG 4.44Å; K657-D681 WeakPolarHBondContact CE-OD2 2.99Å; K657-D681 IonicContact NZ-OD1 3.55Å; K657-D681 PolarHBondContact NZ-OD1 2.79Å; K657-D681 IonicContact NZ-OD2 2.88Å; K657-D681 PolarHBondContact NZ-OD2 3.29Å
658N85Confident82Confident135 Ų13559.7 Ų59.772%0.72234%0.34SS*.Hα-helixtrans-63.8-28.7178-72.1-14.7000113.4N654 V655 V656N654-N658 WeakPolarHBondContact O-CB 3.37Å; N654-N658 PolarHBondContact O-N 3.37Å; N654-N658 PolarHBondContact O-ND2 3Å; V655-N658 PolarHBondContact O-N 3.38Å; V656-N658 VanDerWaalsContact C-N 3.34Å; V656-N658 PolarHBondContact O-N 2.84Å
659R81.8Confident81.5Confident55 Ų5557.6 Ų57.621%0.20833%0.334CS..Hα-helixtrans-95.2-16.7176.9-68.9-163.6176.5-151.70114.7L593 Q594 M601 V655 V656 K657 G661 Q662 F670L593-R659 PolarHBondContact O-NE 3.14Å; L593-R659 PolarHBondContact O-NH1 2.79Å; Q594-R659 PolarHBondContact O-NH2 3.04Å; M601-R659 PolarHBondContact SD-NH1 3.03Å; V655-R659 PolarHBondContact O-N 2.96Å; V655-R659 VanDerWaalsContact O-N 3.15Å; V656-R659 CarbonylContact O-C 3.43Å; V656-R659 PolarHBondContact O-N 3.43Å; V656-R659 VanDerWaalsContact O-N 3.11Å; K657-R659 VanDerWaalsContact C-N 3.28Å; K657-R659 PolarHBondContact O-N 3.12Å; R659-G661 PolarHBondContact O-N 2.98Å; R659-G661 VanDerWaalsContact O-N 3.14Å; R659-Q662 VanDerWaalsContact O-CB 3.32Å; R659-Q662 WeakPolarHBondContact O-CB 3.45Å; R659-Q662 WeakPolarHBondContact O-CG 3.32Å; R659-Q662 PolarHBondContact O-N 3.36Å; R659-F670 HydrophobicContact CB-CD1 3.93Å; R659-F670 HydrophobicContact CB-CD2 4.03Å; R659-F670 HydrophobicContact CB-CE1 3.99Å; R659-F670 HydrophobicContact CB-CE2 4.1Å; R659-F670 HydrophobicContact CB-CG 3.96Å; R659-F670 HydrophobicContact CB-CZ 4.09Å
660A77.9Confident81.3Confident5 Ų557.6 Ų57.64%0.04134%0.335CS..Hα-helixtrans-63.7-19.4178.900000114V656 K657 Q662 F670 K671 Q674V656-A660 WeakPolarHBondContact O-CB 3.33Å; V656-A660 PolarHBondContact O-N 2.78Å; K657-A660 PolarHBondContact O-N 3.37Å; A660-Q662 VanDerWaalsContact C-N 3.31Å; A660-F670 HydrophobicContact CB-CB 4.34Å; A660-K671 HydrophobicContact CB-CG 4.22Å; A660-K671 WeakPolarHBondContact O-CE 3.21Å; A660-Q674 HydrophobicContact CB-CB 4.46Å
661G73Confident81.2Confident71 Ų7159.7 Ų59.773%0.73234%0.344SS*.THydrogen-bonded Turntrans-73.4-14.3170.400000115.1R659R659-G661 PolarHBondContact O-N 2.98Å; R659-G661 VanDerWaalsContact O-N 3.14Å
662Q76.1Confident81.1Confident99 Ų9959 Ų5946%0.46334%0.338SS..  trans-72.9133.5-176.5-64.9-177.5-22.500111.8R659 A660 G667R659-Q662 VanDerWaalsContact O-CB 3.32Å; R659-Q662 WeakPolarHBondContact O-CB 3.45Å; R659-Q662 WeakPolarHBondContact O-CG 3.32Å; R659-Q662 PolarHBondContact O-N 3.36Å; A660-Q662 VanDerWaalsContact C-N 3.31Å; Q662-G667 VanDerWaalsContact O-CA 3.27Å; Q662-G667 WeakPolarHBondContact O-CA 3.09Å
663A65.9Low81Confident108 Ų10859.1 Ų59.189%0.89334%0.338SS*.  trans-84.8138.2174.100000111.1
664G73Confident80.9Confident54 Ų5462.7 Ų62.756%0.55735%0.354SS*.SBendtrans137.2-176.617800000113.3H666 G667G664-H666 PolarHBondContact O-N 3.36Å; G664-G667 PolarHBondContact O-N 3.29Å
665R67.2Low80.9Confident204 Ų20464.8 Ų64.877%0.7737%0.365SS*.THydrogen-bonded Turntrans-55.9-35.1-176.7178.7-178.7-78.4163.5-6.4113.5S668R665-S668 PolarHBondContact O-OG 3.19Å; R665-S668 VanDerWaalsContact O-OG 3.08Å
666H71.6Confident80.8Confident23 Ų2366 Ų6611%0.10637%0.37CS..THydrogen-bonded Turntrans-87.7-16.2179.2-57.8-68.7000113.4E598 Q602 G664 S668 A669 F670E598-H666 IonicContact OE1-NE2 3.13Å; Q602-H666 PolarHBondContact OE1-CE1 3.11Å; Q602-H666 PolarHBondContact OE1-ND1 3.12Å; Q602-H666 VanDerWaalsContact OE1-ND1 3.09Å; G664-H666 PolarHBondContact O-N 3.36Å; H666-S668 VanDerWaalsContact C-N 3.29Å; H666-S668 PolarHBondContact O-N 3.37Å; H666-A669 WeakPolarHBondContact O-CB 3.4Å; H666-A669 PolarHBondContact O-N 2.57Å; H666-F670 HydrophobicContact CB-CD2 4.37Å; H666-F670 HydrophobicContact CB-CE2 4.3Å; H666-F670 VanDerWaalsContact O-CD2 3.27Å; H666-F670 WeakPolarHBondContact O-CD2 3.36Å; H666-F670 PolarHBondContact O-N 2.6Å
667G79.4Confident80.6Confident6 Ų666 Ų666%0.06237%0.37CS..Hα-helixtrans-62.5-34.7177.600000113Q662 G664 K671Q662-G667 VanDerWaalsContact O-CA 3.27Å; Q662-G667 WeakPolarHBondContact O-CA 3.09Å; G664-G667 PolarHBondContact O-N 3.29Å; G667-K671 WeakPolarHBondContact O-CB 3.07Å; G667-K671 VanDerWaalsContact O-CG 3.25Å; G667-K671 WeakPolarHBondContact O-CG 3.31Å; G667-K671 PolarHBondContact O-N 3.02Å
668S81.3Confident80.5Confident79 Ų7964.7 Ų64.755%0.55237%0.372SS*.Hα-helixtrans-68.2-36.2171.451.50000112.6R665 H666 K671 E672R665-S668 PolarHBondContact O-OG 3.19Å; R665-S668 VanDerWaalsContact O-OG 3.08Å; H666-S668 VanDerWaalsContact C-N 3.29Å; H666-S668 PolarHBondContact O-N 3.37Å; S668-K671 PolarHBondContact O-N 2.73Å; S668-E672 WeakPolarHBondContact O-CB 3.49Å; S668-E672 PolarHBondContact O-N 3.39Å
669A81.9Confident80.1Confident16 Ų1660.7 Ų60.713%0.13235%0.353CS..Hα-helixtrans-68.2-42.1175.500000111.9H666 K671 E672 L673H666-A669 WeakPolarHBondContact O-CB 3.4Å; H666-A669 PolarHBondContact O-N 2.57Å; A669-K671 VanDerWaalsContact C-N 3.34Å; A669-K671 PolarHBondContact O-N 3.34Å; A669-E672 PolarHBondContact O-N 3.26Å; A669-L673 WeakPolarHBondContact O-CB 3.35Å; A669-L673 WeakPolarHBondContact O-CG 3.45Å; A669-L673 PolarHBondContact O-N 3.28Å
670F86.7Confident79.7Confident1 Ų158.1 Ų58.10%0.00434%0.343CS..Hα-helixtrans-65-35173.1-76.3-69000112.4L593 V656 R659 A660 H666 L673 Q674L593-F670 HydrophobicContact CB-CE1 4.44Å; L593-F670 HydrophobicContact CD1-CE1 4.44Å; L593-F670 HydrophobicContact CD2-CE1 3.94Å; L593-F670 HydrophobicContact CD2-CZ 4.14Å; V656-F670 HydrophobicContact CG1-CD1 4.43Å; V656-F670 WeakPolarHBondContact CG1-O 3.26Å; V656-F670 HydrophobicContact CG2-CD1 4.33Å; R659-F670 HydrophobicContact CB-CD1 3.93Å; R659-F670 HydrophobicContact CB-CD2 4.03Å; R659-F670 HydrophobicContact CB-CE1 3.99Å; R659-F670 HydrophobicContact CB-CE2 4.1Å; R659-F670 HydrophobicContact CB-CG 3.96Å; R659-F670 HydrophobicContact CB-CZ 4.09Å; A660-F670 HydrophobicContact CB-CB 4.34Å; H666-F670 HydrophobicContact CB-CD2 4.37Å; H666-F670 HydrophobicContact CB-CE2 4.3Å; H666-F670 VanDerWaalsContact O-CD2 3.27Å; H666-F670 WeakPolarHBondContact O-CD2 3.36Å; H666-F670 PolarHBondContact O-N 2.6Å; F670-L673 HydrophobicContact CD1-CD1 4.49Å; F670-Q674 WeakPolarHBondContact O-CB 3.38Å; F670-Q674 PolarHBondContact O-N 2.81Å
671K86.4Confident79.1Confident112 Ų11261.3 Ų61.349%0.48736%0.359SS..Hα-helixtrans-69.4-39.7172.8-73173-173.9-173.60113.1A660 G667 S668 A669 Q674 L675A660-K671 HydrophobicContact CB-CG 4.22Å; A660-K671 WeakPolarHBondContact O-CE 3.21Å; G667-K671 WeakPolarHBondContact O-CB 3.07Å; G667-K671 VanDerWaalsContact O-CG 3.25Å; G667-K671 WeakPolarHBondContact O-CG 3.31Å; G667-K671 PolarHBondContact O-N 3.02Å; S668-K671 PolarHBondContact O-N 2.73Å; A669-K671 VanDerWaalsContact C-N 3.34Å; A669-K671 PolarHBondContact O-N 3.34Å; K671-Q674 PolarHBondContact O-N 3.44Å; K671-L675 WeakPolarHBondContact O-CG 3.32Å; K671-L675 PolarHBondContact O-N 3.32Å
672E86.9Confident78.5Confident80 Ų8066 Ų6637%0.37436%0.362SS..Hα-helixtrans-63.7-42.2173.2-168.8-170.6-170.300111.1K609 S668 A669 L675 L676K609-E672 WeakPolarHBondContact CE-OE1 3.29Å; K609-E672 WeakPolarHBondContact CE-OE2 3.42Å; K609-E672 IonicContact NZ-OE1 3.36Å; K609-E672 PolarHBondContact NZ-OE1 3.28Å; K609-E672 IonicContact NZ-OE2 2.78Å; K609-E672 PolarHBondContact NZ-OE2 2.94Å; S668-E672 WeakPolarHBondContact O-CB 3.49Å; S668-E672 PolarHBondContact O-N 3.39Å; A669-E672 PolarHBondContact O-N 3.26Å; E672-L675 PolarHBondContact O-N 3.4Å; E672-L676 HydrophobicContact CG-CD1 4.22Å; E672-L676 WeakPolarHBondContact O-CB 3.14Å; E672-L676 VanDerWaalsContact O-CG 3.32Å; E672-L676 WeakPolarHBondContact O-CG 3.2Å; E672-L676 PolarHBondContact O-N 2.87Å
673L87.8Confident77.5Confident3 Ų363.2 Ų63.22%0.01636%0.357CS..Hα-helixtrans-61.3-44172.3-74.6170.8000111.9L608 K609 V656 A669 F670 L675 L676 M677L608-L673 HydrophobicContact CB-CD2 4.12Å; L608-L673 HydrophobicContact CD2-CD1 4.34Å; L608-L673 HydrophobicContact CD2-CD2 4.17Å; L608-L673 HydrophobicContact CG-CD2 3.99Å; K609-L673 HydrophobicContact CB-CD2 4.02Å; V656-L673 HydrophobicContact CG1-CB 3.82Å; V656-L673 HydrophobicContact CG2-CB 4.46Å; V656-L673 HydrophobicContact CG2-CD1 4.47Å; A669-L673 WeakPolarHBondContact O-CB 3.35Å; A669-L673 WeakPolarHBondContact O-CG 3.45Å; A669-L673 PolarHBondContact O-N 3.28Å; F670-L673 HydrophobicContact CD1-CD1 4.49Å; L673-L675 VanDerWaalsContact C-N 3.3Å; L673-L675 PolarHBondContact O-N 3.24Å; L673-L676 CarbonylContact O-C 3.57Å; L673-L676 PolarHBondContact O-N 3.04Å; L673-M677 VanDerWaalsContact O-CB 3.25Å; L673-M677 WeakPolarHBondContact O-CB 3.41Å; L673-M677 WeakPolarHBondContact O-CG 3.31Å; L673-M677 PolarHBondContact O-N 3.06Å
674Q88.3Confident76.4Confident79 Ų7967.1 Ų67.137%0.36936%0.361SS..Hα-helixtrans-58.5-42176.9-172.4-177.35.800111.8V656 K657 A660 F670 K671 M677 A678V656-Q674 HydrophobicContact CG1-CB 4.12Å; K657-Q674 HydrophobicContact CG-CG 4.44Å; A660-Q674 HydrophobicContact CB-CB 4.46Å; F670-Q674 WeakPolarHBondContact O-CB 3.38Å; F670-Q674 PolarHBondContact O-N 2.81Å; K671-Q674 PolarHBondContact O-N 3.44Å; Q674-M677 CarbonylContact O-C 3.56Å; Q674-M677 PolarHBondContact O-N 2.8Å; Q674-A678 PolarHBondContact O-N 2.96Å
675L86.6Confident76.6Confident136 Ų13667.8 Ų67.871%0.71235%0.351SS*.Hα-helixtrans-67.6-42.1175.7-69.2170.2000112.4K671 E672 L673 M677 A678K671-L675 WeakPolarHBondContact O-CG 3.32Å; K671-L675 PolarHBondContact O-N 3.32Å; E672-L675 PolarHBondContact O-N 3.4Å; L673-L675 VanDerWaalsContact C-N 3.3Å; L673-L675 PolarHBondContact O-N 3.24Å; L675-M677 PolarHBondContact O-N 3.05Å; L675-A678 PolarHBondContact O-N 3.24Å
676L85.3Confident77.1Confident52 Ų5260.6 Ų60.627%0.27233%0.329SS..Hα-helixtrans-66.1-25.2174.7-71.2168.8000113K609 E672 L673K609-L676 HydrophobicContact CD-CD1 4.49Å; K609-L676 HydrophobicContact CG-CD1 3.88Å; E672-L676 HydrophobicContact CG-CD1 4.22Å; E672-L676 WeakPolarHBondContact O-CB 3.14Å; E672-L676 VanDerWaalsContact O-CG 3.32Å; E672-L676 WeakPolarHBondContact O-CG 3.2Å; E672-L676 PolarHBondContact O-N 2.87Å; L673-L676 CarbonylContact O-C 3.57Å; L673-L676 PolarHBondContact O-N 3.04Å
677M85.5Confident77.4Confident2 Ų262.7 Ų62.71%0.0134%0.342CS..Hα-helixtrans-94.8-7.5179.7-68.5-177.785.900113.6L608 M612 L649 L652 V656 L673 Q674 L675 P679 L680L608-M677 HydrophobicContact CD2-CE 4.48Å; L608-M677 HydrophobicContact CD2-SD 3.95Å; L608-M677 HydrophobicContact CG-SD 4.48Å; M612-M677 HydrophobicContact CG-CG 4.27Å; M612-M677 HydrophobicContact SD-CE 4.37Å; M612-M677 HydrophobicContact SD-CG 3.63Å; L649-M677 VanDerWaalsContact O-CE 3.29Å; L649-M677 WeakPolarHBondContact O-CE 3.22Å; L652-M677 HydrophobicContact CB-CE 4.17Å; V656-M677 HydrophobicContact CB-SD 4.35Å; V656-M677 HydrophobicContact CG1-SD 4.47Å; V656-M677 HydrophobicContact CG2-SD 4.02Å; L673-M677 VanDerWaalsContact O-CB 3.25Å; L673-M677 WeakPolarHBondContact O-CB 3.41Å; L673-M677 WeakPolarHBondContact O-CG 3.31Å; L673-M677 PolarHBondContact O-N 3.06Å; Q674-M677 CarbonylContact O-C 3.56Å; Q674-M677 PolarHBondContact O-N 2.8Å; L675-M677 PolarHBondContact O-N 3.05Å; M677-P679 VanDerWaalsContact C-CD 3.42Å; M677-P679 VanDerWaalsContact C-N 3.29Å; M677-L680 HydrophobicContact CB-CD1 3.91Å; M677-L680 HydrophobicContact CE-CD1 3.58Å; M677-L680 HydrophobicContact CG-CD1 3.99Å; M677-L680 VanDerWaalsContact O-CB 3.27Å; M677-L680 WeakPolarHBondContact O-CB 3.25Å; M677-L680 PolarHBondContact O-N 2.74Å
678A82.1Confident77.3Confident39 Ų3966 Ų6632%0.32236%0.358SS..THydrogen-bonded Turntrans-53.4-37.1177.900000114Q674 L675 L680 D681 E682Q674-A678 PolarHBondContact O-N 2.96Å; L675-A678 PolarHBondContact O-N 3.24Å; A678-L680 PolarHBondContact O-N 3.15Å; A678-L680 VanDerWaalsContact O-N 3.15Å; A678-D681 WeakPolarHBondContact O-CB 2.97Å; A678-D681 PolarHBondContact O-N 2.82Å; A678-E682 PolarHBondContact O-N 3.17Å
679P77.9Confident77Confident50 Ų5065.2 Ų65.233%0.32535%0.346SS..Hα-helixtrans-64.5-14.9174.7-25.136.9000115.5W616 M677 D681 A683W616-P679 HydrophobicContact CZ2-CB 4.22Å; W616-P679 WeakPolarHBondContact CZ2-O 3.24Å; M677-P679 VanDerWaalsContact C-CD 3.42Å; M677-P679 VanDerWaalsContact C-N 3.29Å; P679-D681 VanDerWaalsContact C-N 3.25Å; P679-A683 VanDerWaalsContact O-CB 3.22Å; P679-A683 WeakPolarHBondContact O-CB 3.22Å; P679-A683 PolarHBondContact O-N 2.84Å
680L73.6Confident76.7Confident1 Ų168.5 Ų68.51%0.00536%0.36CS..Hα-helixtrans-70.2-24.5170.2-78.5146.9000112.3M612 W616 L649 K650 M677 A678M612-L680 HydrophobicContact CE-CD1 4.3Å; M612-L680 HydrophobicContact SD-CD1 3.87Å; W616-L680 HydrophobicContact CE3-CD2 4.22Å; W616-L680 HydrophobicContact CE3-CG 4.38Å; W616-L680 HydrophobicContact CH2-CB 4.3Å; W616-L680 HydrophobicContact CH2-CD2 3.36Å; W616-L680 HydrophobicContact CH2-CG 3.56Å; W616-L680 HydrophobicContact CZ2-CD2 4.27Å; W616-L680 HydrophobicContact CZ2-CG 3.96Å; W616-L680 HydrophobicContact CZ3-CD2 3.33Å; W616-L680 HydrophobicContact CZ3-CG 3.79Å; L649-L680 HydrophobicContact CB-CD1 4.23Å; L649-L680 HydrophobicContact CB-CD2 3.9Å; K650-L680 HydrophobicContact CG-CD2 4.15Å; M677-L680 HydrophobicContact CB-CD1 3.91Å; M677-L680 HydrophobicContact CE-CD1 3.58Å; M677-L680 HydrophobicContact CG-CD1 3.99Å; M677-L680 VanDerWaalsContact O-CB 3.27Å; M677-L680 WeakPolarHBondContact O-CB 3.25Å; M677-L680 PolarHBondContact O-N 2.74Å; A678-L680 PolarHBondContact O-N 3.15Å; A678-L680 VanDerWaalsContact O-N 3.15Å
681D63.7Low76Confident72 Ų7273.3 Ų73.339%0.38539%0.386SS..Hα-helixtrans-88.8-33179.7-60.6-31.8000111.5K657 A678 P679K657-D681 WeakPolarHBondContact CE-OD2 2.99Å; K657-D681 IonicContact NZ-OD1 3.55Å; K657-D681 PolarHBondContact NZ-OD1 2.79Å; K657-D681 IonicContact NZ-OD2 2.88Å; K657-D681 PolarHBondContact NZ-OD2 3.29Å; A678-D681 WeakPolarHBondContact O-CB 2.97Å; A678-D681 PolarHBondContact O-N 2.82Å; P679-D681 VanDerWaalsContact C-N 3.25Å
682E61Low75.2Confident170 Ų17070.3 Ų70.379%0.79438%0.378SS*.Hα-helixtrans-80.1-15.5174.3-65-174.4159.900113.8A678 L684A678-E682 PolarHBondContact O-N 3.17Å; E682-L684 PolarHBondContact O-N 3.44Å
683A55.7Low74.2Confident41 Ų4169.5 Ų69.534%0.33938%0.378SS..  trans-88.745175.900000112.6W616 P679W616-A683 HydrophobicContact CZ2-CB 4.46Å; P679-A683 VanDerWaalsContact O-CB 3.22Å; P679-A683 WeakPolarHBondContact O-CB 3.22Å; P679-A683 PolarHBondContact O-N 2.84Å
684L43.4Very low73Confident189 Ų18975.5 Ų75.599%0.9941%0.411SS*.  trans-130.50179.6-88169.4000110.7E682E682-L684 PolarHBondContact O-N 3.44Å

Retrieved 684 of 684 residues in 169.1 ms (Link to these results)

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