A0A096N8F5_PAPAN Loading...

Histone H4 transcription factor

Transcriptional repressor that binds to the consensus sequence 5'-CGGACGTT-3' and to the RB1 promoter. Transcriptional activator that promotes histone H4 gene transcription at the G1/S phase transition in conjunction with NPAT. Also activates transcription of the ATM and PRKDC genes. Autoregulates its expression by associating with its own promoter.

AlphaFold DB , UniProt , Accession A0A096N8F5, Species PAPAN (Papio anubis, Olive baboon), Gene HINFP, Length 517 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
1M26.4Very low36.5Very low237 Ų237153.5 Ų153.5100%1.16783%0.827SS**  0120.40-75.5-171.6167.700107.9
2P29.8Very low39.1Very low124 Ų124151.2 Ų151.281%0.80581%0.814SS**PPolyproline II helixtrans-78.4149.1176.532-29.9000110.4
3P29.9Very low42.4Very low121 Ų121140.5 Ų140.579%0.78676%0.757SS**PPolyproline II helixtrans-74151.4-176.130.8-32.9000111.6
4P37.3Very low45.7Very low133 Ų133140.9 Ų140.986%0.86474%0.742SS**SBendtrans-82.2144.4-177.634.2-32000110.6
5G44.8Very low48.8Very low73 Ų73131.5 Ų131.575%0.75369%0.693SS**  trans105.868.9161.500000115.3
6K30.7Very low51.5Low202 Ų202128.6 Ų128.688%0.87867%0.674SS**  -162111.3129.8-99.1163.1-164.8-177.40106
7V30.1Very low54Low136 Ų136121.1 Ų121.182%0.82464%0.635SS**  trans-53.2125.7168.5-176.50000106.2R9V7-R9 PolarHBondContact O-N 2.91Å; V7-R9 VanDerWaalsContact O-N 3.16Å
8P33.8Very low56Low112 Ų112114.9 Ų114.973%0.72760%0.602SS**  trans-55127.4174.6-14.925.3000106.9K10P8-K10 PolarHBondContact O-N 2.98Å
9R37.8Very low57.8Low236 Ų236109.8 Ų109.889%0.89157%0.574SS**  trans-51.6115.5167.3-100.6-178.6168.8-176.8-3.9105.5V7 E11V7-R9 PolarHBondContact O-N 2.91Å; V7-R9 VanDerWaalsContact O-N 3.16Å; R9-E11 VanDerWaalsContact C-N 3.34Å; R9-E11 PolarHBondContact O-N 3.37Å
10K42.4Very low59.3Low191 Ų191106.1 Ų106.183%0.8356%0.564SS**  trans-55.4105.5169.7-98.4-179.5173.8179.20106.1P8 N12P8-K10 PolarHBondContact O-N 2.98Å; K10-N12 PolarHBondContact O-N 3.39Å
11E58.1Low60.6Low123 Ų123106.8 Ų106.858%0.57558%0.577SS**  trans-65.6107.2169.7-61.7-175.2169.500105R9 L13R9-E11 VanDerWaalsContact C-N 3.34Å; R9-E11 PolarHBondContact O-N 3.37Å; E11-L13 HydrophobicContact CB-CD1 4.07Å; E11-L13 HydrophobicContact CB-CG 3.96Å; E11-L13 PolarHBondContact O-N 3.03Å
12N67.9Low63.7Low126 Ų12696.8 Ų96.867%0.67453%0.53SS*.  trans-72.964.5177.1-74.1-25.3000108.8K10 Q101K10-N12 PolarHBondContact O-N 3.39Å; N12-Q101 PolarHBondContact O-NE2 2.9Å
13L82.3Confident66.6Low12 Ų1295.7 Ų95.76%0.06353%0.526CS..  trans-76.9139.8177.7-69.6168.5000109.2E11 L15 S27 M29 K94 Q97E11-L13 HydrophobicContact CB-CD1 4.07Å; E11-L13 HydrophobicContact CB-CG 3.96Å; E11-L13 PolarHBondContact O-N 3.03Å; L13-L15 HydrophobicContact CB-CG 4.45Å; L13-S27 WeakPolarHBondContact O-CA 3.48Å; L13-S27 WeakPolarHBondContact O-CB 3.45Å; L13-M29 HydrophobicContact CD1-CG 4.14Å; L13-K94 HydrophobicContact CD2-CG 4.16Å; L13-Q97 HydrophobicContact CD2-CG 4.4Å
14W88.3Confident69.6Low147 Ų14793.6 Ų93.656%0.55750%0.504SS*.  trans-135.2106.3172.1-167.154000106V25 Q97W14-V25 VanDerWaalsContact CD1-CG1 3.47Å; W14-V25 HydrophobicContact CD2-CG1 4.35Å; W14-V25 HydrophobicContact CG-CG1 4.26Å; W14-V25 HydrophobicContact CZ2-CG1 4.16Å; W14-Q97 WeakPolarHBondContact O-CG 3.44Å; W14-Q97 PolarHBondContact O-OE1 2.93Å
15L91.9Very high72.2Confident0 Ų089.9 Ų89.90%048%0.479CS..EExtended strand (participates in β ladder)trans-114.9119.9-170.4-56166.9000107.6L13 V25 C26 M29 F32 T93 K94L13-L15 HydrophobicContact CB-CG 4.45Å; L15-V25 CarbonylContact O-C 3.58Å; L15-V25 VanDerWaalsContact O-CA 3.26Å; L15-V25 WeakPolarHBondContact O-CA 3.47Å; L15-C26 PolarHBondContact N-O 3.47Å; L15-C26 PolarHBondContact O-N 3.18Å; L15-M29 HydrophobicContact CD1-CG 4.16Å; L15-M29 HydrophobicContact CD1-SD 3.29Å; L15-M29 WeakPolarHBondContact CD1-SD 3.44Å; L15-M29 HydrophobicContact CD2-SD 3.86Å; L15-M29 HydrophobicContact CG-SD 4.21Å; L15-F32 HydrophobicContact CB-CB 4.48Å; L15-F32 HydrophobicContact CB-CD1 4.46Å; L15-F32 HydrophobicContact CB-CD2 3.74Å; L15-F32 HydrophobicContact CB-CE2 4.04Å; L15-F32 HydrophobicContact CB-CG 3.96Å; L15-F32 HydrophobicContact CD1-CB 3.79Å; L15-F32 HydrophobicContact CD1-CD1 4.44Å; L15-F32 HydrophobicContact CD1-CG 4.02Å; L15-T93 HydrophobicContact CB-CG2 4.48Å; L15-T93 HydrophobicContact CD2-CG2 4.26Å; L15-K94 HydrophobicContact CD2-CB 4.14Å
16Q92.4Very high74.5Confident85 Ų8587.2 Ų87.240%0.39745%0.449SS..EExtended strand (participates in β ladder)trans-108.8131.1178.8177.5174.2-8.100109.3V25Q16-V25 HydrophobicContact CB-CG2 4.13Å; Q16-V25 HydrophobicContact CG-CG2 4.04Å
17C93.2Very high77.3Confident0 Ų081.7 Ų81.70%044%0.435CS..  trans-75.1135.8174-169.50000109.2W19 C22 F24 F32C17-W19 VanDerWaalsContact SG-CB 3.59Å; C17-C22 HydrophobicContact CB-CB 4.34Å; C17-F24 HydrophobicContact CB-CB 4.15Å; C17-F24 PolarHBondContact N-O 3.24Å; C17-F32 HydrophobicContact CB-CE2 3.99Å; C17-F32 HydrophobicContact CB-CZ 4.36Å
18E90.9Very high80.1Confident10 Ų1076.9 Ų76.95%0.04741%0.41CS..  trans-123.725.3176.2-51.9178.113300110.3G20 W68 Q69 K96 R119 N120E18-G20 PolarHBondContact O-N 3.15Å; E18-W68 HydrophobicContact CB-CZ2 4.38Å; E18-Q69 HydrophobicContact CB-CB 4.43Å; E18-Q69 HydrophobicContact CB-CG 4.45Å; E18-Q69 WeakPolarHBondContact O-CG 3.4Å; E18-Q69 PolarHBondContact O-N 3.39Å; E18-K96 IonicContact OE2-NZ 3.9Å; E18-K96 PolarHBondContact OE2-NZ 3.44Å; E18-R119 IonicContact OE1-CZ 3.1Å; E18-R119 IonicContact OE1-NH1 3.37Å; E18-R119 PolarHBondContact OE1-NH1 3.13Å; E18-R119 IonicContact OE1-NH2 3.82Å; E18-R119 PolarHBondContact OE1-NH2 3.29Å; E18-R119 IonicContact OE2-NH1 2.67Å; E18-R119 IonicContact OE2-NH2 2.76Å; E18-N120 PolarHBondContact OE2-ND2 3.31Å; E18-N120 PolarHBondContact OE2-OD1 2.88Å
19W90.6Very high82.7Confident18 Ų1872.3 Ų72.37%0.06838%0.379CS..BIsolated β-bridgetrans-74.5113.4171.8-174.4-82.1000109.7C17 S21 C22 H39 H43 L67 W68 V86C17-W19 VanDerWaalsContact SG-CB 3.59Å; W19-S21 PolarHBondContact O-N 3.47Å; W19-C22 HydrophobicContact CB-CB 4.49Å; W19-C22 WeakPolarHBondContact O-CB 3.32Å; W19-C22 PolarHBondContact O-N 3.03Å; W19-H39 AromaticContact CD1-CG 3.75Å; W19-H39 AromaticContact CD1-ND1 3.85Å; W19-H39 HydrophobicContact CD2-CB 4.06Å; W19-H39 HydrophobicContact CG-CB 4.07Å; W19-H43 HydrophobicContact CZ2-CB 3.96Å; W19-H43 AromaticContact CZ2-CG 3.99Å; W19-L67 HydrophobicContact CD2-CB 4.23Å; W19-L67 HydrophobicContact CH2-CB 4.35Å; W19-L67 HydrophobicContact CZ2-CB 3.82Å; W19-L67 HydrophobicContact CZ2-CD1 4.03Å; W19-L67 HydrophobicContact CZ2-CG 4.06Å; W19-W68 AromaticContact CE3-CE3 3.94Å; W19-W68 HydrophobicContact CE3-CE3 3.94Å; W19-W68 HydrophobicContact CE3-CZ3 4.44Å; W19-V86 HydrophobicContact CE3-CG1 4.2Å; W19-V86 HydrophobicContact CH2-CG2 4.16Å; W19-V86 HydrophobicContact CZ3-CB 4.3Å; W19-V86 HydrophobicContact CZ3-CG1 3.7Å; W19-V86 HydrophobicContact CZ3-CG2 3.54Å
20G87.3Confident85.1Confident36 Ų3666.6 Ų66.637%0.37136%0.363SS..THydrogen-bonded Turntrans50.5-122.1-17600000112E18 L67 Q69E18-G20 PolarHBondContact O-N 3.15Å; G20-L67 PolarHBondContact N-O 3.48Å; G20-Q69 PolarHBondContact O-NE2 2.66Å
21S86.4Confident87.4Confident120 Ų12063.8 Ų63.884%0.83935%0.351SS*.THydrogen-bonded Turntrans-98.813.1176.758.50000114.1W19W19-S21 PolarHBondContact O-N 3.47Å
22C91.4Very high89Confident27 Ų2758 Ų5818%0.18232%0.323CS..  trans-61.5138.3-179.9-171.70000111.3C17 W19 F24 H35 H39C17-C22 HydrophobicContact CB-CB 4.34Å; W19-C22 HydrophobicContact CB-CB 4.49Å; W19-C22 WeakPolarHBondContact O-CB 3.32Å; W19-C22 PolarHBondContact O-N 3.03Å; C22-F24 PolarHBondContact SG-N 2.86Å; C22-H35 VanDerWaalsContact SG-CE1 3.58Å; C22-H35 PolarHBondContact SG-NE2 3.2Å; C22-H39 PolarHBondContact SG-NE2 3.46Å; C22-H39 VanDerWaalsContact SG-NE2 3.36Å
23S90.1Very high90Very high102 Ų10252.5 Ų52.571%0.71329%0.294SS*.  trans-12018.917955.30000112.6
24F93.6Very high90.5Very high76 Ų7658.4 Ų58.433%0.33332%0.321SS..  trans-65.2137.6178.7-179.2-100.8000111.5C17 C22 C26 F32 H35C17-F24 HydrophobicContact CB-CB 4.15Å; C17-F24 PolarHBondContact N-O 3.24Å; C22-F24 PolarHBondContact SG-N 2.86Å; F24-C26 HydrophobicContact CE1-CB 3.74Å; F24-C26 HydrophobicContact CZ-CB 3.87Å; F24-F32 HydrophobicContact CD1-CD2 4.44Å; F24-F32 HydrophobicContact CE1-CD2 4.48Å; F24-H35 VanDerWaalsContact CB-NE2 3.3Å; F24-H35 WeakPolarHBondContact CB-NE2 3.21Å; F24-H35 HydrophobicContact CD1-CB 3.96Å; F24-H35 AromaticContact CD1-CD2 3.28Å; F24-H35 WeakPolarHBondContact CD1-CD2 3.48Å; F24-H35 AromaticContact CD1-CG 3.43Å; F24-H35 VanDerWaalsContact CD1-CG 3.43Å; F24-H35 AromaticContact CD1-ND1 3.98Å; F24-H35 AromaticContact CD1-NE2 3.74Å; F24-H35 HydrophobicContact CE1-CB 3.72Å; F24-H35 AromaticContact CE1-CD2 3.97Å; F24-H35 AromaticContact CE1-CG 3.73Å; F24-H35 AromaticContact CG-CD2 3.7Å; F24-H35 AromaticContact CG-CE1 3.75Å; F24-H35 AromaticContact CG-CG 3.78Å; F24-H35 AromaticContact CG-ND1 3.82Å; F24-H35 AromaticContact CG-NE2 3.66Å; F24-H35 HydrophobicContact CZ-CB 4.2Å
25V92Very high90.7Very high55 Ų5552.7 Ų52.733%0.33330%0.3SS..EExtended strand (participates in β ladder)trans-138.5135.3-179.9-176.70000110.2W14 L15 Q16W14-V25 VanDerWaalsContact CD1-CG1 3.47Å; W14-V25 HydrophobicContact CD2-CG1 4.35Å; W14-V25 HydrophobicContact CG-CG1 4.26Å; W14-V25 HydrophobicContact CZ2-CG1 4.16Å; L15-V25 CarbonylContact O-C 3.58Å; L15-V25 VanDerWaalsContact O-CA 3.26Å; L15-V25 WeakPolarHBondContact O-CA 3.47Å; Q16-V25 HydrophobicContact CB-CG2 4.13Å; Q16-V25 HydrophobicContact CG-CG2 4.04Å
26C93.2Very high90.7Very high17 Ų1752.7 Ų52.712%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-147.5174.2176.575.20000112.7L15 F24 A28 F32L15-C26 PolarHBondContact N-O 3.47Å; L15-C26 PolarHBondContact O-N 3.18Å; F24-C26 HydrophobicContact CE1-CB 3.74Å; F24-C26 HydrophobicContact CZ-CB 3.87Å; C26-A28 PolarHBondContact SG-O 3.25Å; C26-A28 VanDerWaalsContact SG-O 3.4Å; C26-F32 VanDerWaalsContact SG-CB 3.54Å
27S88.9Confident90.6Very high86 Ų8650.2 Ų50.260%0.60129%0.291SS*.SBendtrans-113.92.3-178.557.30000114.7L13L13-S27 WeakPolarHBondContact O-CA 3.48Å; L13-S27 WeakPolarHBondContact O-CB 3.45Å
28A88.9Confident90.6Very high36 Ų3655.2 Ų55.230%0.29831%0.314SS..  trans-126128.8-178.300000110.2C26 E30 K31 F32C26-A28 PolarHBondContact SG-O 3.25Å; C26-A28 VanDerWaalsContact SG-O 3.4Å; A28-E30 VanDerWaalsContact C-N 3.31Å; A28-E30 PolarHBondContact O-N 3.02Å; A28-K31 HydrophobicContact CB-CB 4.38Å; A28-K31 HydrophobicContact CB-CD 4.37Å; A28-K31 HydrophobicContact CB-CG 4.22Å; A28-K31 PolarHBondContact O-N 3.18Å; A28-F32 PolarHBondContact O-N 3.41Å
29M88.2Confident90.6Very high16 Ų1656.5 Ų56.58%0.07932%0.32CS..Hα-helixtrans-58.1-41.6179.8-74.5-59.3-58.200112.4L13 L15 K31 F32 F33 K94L13-M29 HydrophobicContact CD1-CG 4.14Å; L15-M29 HydrophobicContact CD1-CG 4.16Å; L15-M29 HydrophobicContact CD1-SD 3.29Å; L15-M29 WeakPolarHBondContact CD1-SD 3.44Å; L15-M29 HydrophobicContact CD2-SD 3.86Å; L15-M29 HydrophobicContact CG-SD 4.21Å; M29-K31 PolarHBondContact O-N 3.41Å; M29-F32 WeakPolarHBondContact O-CB 2.89Å; M29-F32 PolarHBondContact O-N 3.18Å; M29-F32 VanDerWaalsContact O-N 3.14Å; M29-F33 HydrophobicContact CB-CD2 4.35Å; M29-F33 HydrophobicContact CB-CE2 4.37Å; M29-F33 HydrophobicContact CE-CD2 4.01Å; M29-F33 HydrophobicContact CE-CE2 3.29Å; M29-F33 HydrophobicContact CE-CZ 3.78Å; M29-F33 WeakPolarHBondContact O-CD2 3.42Å; M29-F33 PolarHBondContact O-N 3.04Å; M29-K94 HydrophobicContact CE-CB 4.11Å; M29-K94 HydrophobicContact CE-CD 4.13Å; M29-K94 HydrophobicContact CG-CD 4.11Å; M29-K94 HydrophobicContact SD-CB 3.71Å; M29-K94 HydrophobicContact SD-CD 3.73Å; M29-K94 HydrophobicContact SD-CG 3.85Å
30E89.4Confident90.5Very high116 Ų11655.9 Ų55.954%0.54232%0.318SS..Hα-helixtrans-58.8-48.2-179.6-69.4165.4-169.300111.5A28 F32 F33 E34 W145A28-E30 VanDerWaalsContact C-N 3.31Å; A28-E30 PolarHBondContact O-N 3.02Å; E30-F32 VanDerWaalsContact C-N 3.3Å; E30-F32 PolarHBondContact O-N 3.43Å; E30-F33 PolarHBondContact O-N 3.27Å; E30-E34 WeakPolarHBondContact O-CG 3.49Å; E30-E34 PolarHBondContact O-N 2.83Å; E30-W145 HydrophobicContact CG-CH2 4.02Å; E30-W145 HydrophobicContact CG-CZ2 4.44Å
31K90.2Very high90.6Very high132 Ų13259.4 Ų59.457%0.57433%0.325SS*.Hα-helixtrans-63.9-35.9175.6-65-172.6177.6-174.20112.7A28 M29 H35A28-K31 HydrophobicContact CB-CB 4.38Å; A28-K31 HydrophobicContact CB-CD 4.37Å; A28-K31 HydrophobicContact CB-CG 4.22Å; A28-K31 PolarHBondContact O-N 3.18Å; M29-K31 PolarHBondContact O-N 3.41Å; K31-H35 WeakPolarHBondContact O-CB 3.34Å; K31-H35 PolarHBondContact O-N 2.86Å; K31-H35 VanDerWaalsContact O-N 3.11Å
32F92.1Very high90.6Very high0 Ų059.1 Ų59.10%031%0.311CS..Hα-helixtrans-65-45.7176.6-167.3-110.5000111.3L15 C17 F24 C26 A28 M29 E30 H35 V36 W68 C90 T93L15-F32 HydrophobicContact CB-CB 4.48Å; L15-F32 HydrophobicContact CB-CD1 4.46Å; L15-F32 HydrophobicContact CB-CD2 3.74Å; L15-F32 HydrophobicContact CB-CE2 4.04Å; L15-F32 HydrophobicContact CB-CG 3.96Å; L15-F32 HydrophobicContact CD1-CB 3.79Å; L15-F32 HydrophobicContact CD1-CD1 4.44Å; L15-F32 HydrophobicContact CD1-CG 4.02Å; C17-F32 HydrophobicContact CB-CE2 3.99Å; C17-F32 HydrophobicContact CB-CZ 4.36Å; F24-F32 HydrophobicContact CD1-CD2 4.44Å; F24-F32 HydrophobicContact CE1-CD2 4.48Å; C26-F32 VanDerWaalsContact SG-CB 3.54Å; A28-F32 PolarHBondContact O-N 3.41Å; M29-F32 WeakPolarHBondContact O-CB 2.89Å; M29-F32 PolarHBondContact O-N 3.18Å; M29-F32 VanDerWaalsContact O-N 3.14Å; E30-F32 VanDerWaalsContact C-N 3.3Å; E30-F32 PolarHBondContact O-N 3.43Å; F32-H35 PolarHBondContact O-N 2.71Å; F32-V36 HydrophobicContact CD1-CG2 4.38Å; F32-V36 HydrophobicContact CE1-CG2 4.03Å; F32-V36 HydrophobicContact CZ-CG2 4.14Å; F32-V36 WeakPolarHBondContact O-CG2 3.3Å; F32-V36 PolarHBondContact O-N 3.34Å; F32-W68 HydrophobicContact CE1-CH2 4.27Å; F32-W68 HydrophobicContact CZ-CH2 4.14Å; F32-C90 HydrophobicContact CD1-CB 4.05Å; F32-C90 HydrophobicContact CE1-CB 3.98Å; F32-T93 HydrophobicContact CE1-CG2 4.39Å; F32-T93 HydrophobicContact CZ-CG2 4.18Å
33F89.4Confident90.3Very high12 Ų1260.4 Ų60.45%0.05331%0.314CS..Hα-helixtrans-64.6-43.8177.2-82.8-65.9000112.5M29 E30 H35 V36 T37 Y87 C90 N142 E144 W145M29-F33 HydrophobicContact CB-CD2 4.35Å; M29-F33 HydrophobicContact CB-CE2 4.37Å; M29-F33 HydrophobicContact CE-CD2 4.01Å; M29-F33 HydrophobicContact CE-CE2 3.29Å; M29-F33 HydrophobicContact CE-CZ 3.78Å; M29-F33 WeakPolarHBondContact O-CD2 3.42Å; M29-F33 PolarHBondContact O-N 3.04Å; E30-F33 PolarHBondContact O-N 3.27Å; F33-H35 VanDerWaalsContact C-N 3.29Å; F33-H35 PolarHBondContact O-N 3.38Å; F33-V36 PolarHBondContact O-N 3.33Å; F33-T37 VanDerWaalsContact O-CB 3.29Å; F33-T37 WeakPolarHBondContact O-CB 3.42Å; F33-T37 PolarHBondContact O-N 2.88Å; F33-T37 PolarHBondContact O-OG1 3.42Å; F33-Y87 HydrophobicContact CD1-CD1 4.23Å; F33-Y87 HydrophobicContact CE1-CD1 4.35Å; F33-C90 HydrophobicContact CD1-CB 3.75Å; F33-C90 HydrophobicContact CE1-CB 3.2Å; F33-C90 HydrophobicContact CZ-CB 3.65Å; F33-N142 WeakPolarHBondContact CE1-ND2 3.21Å; F33-N142 WeakPolarHBondContact CZ-ND2 3.37Å; F33-E144 HydrophobicContact CE2-CB 4.15Å; F33-E144 HydrophobicContact CE2-CG 4.17Å; F33-E144 HydrophobicContact CZ-CB 4.01Å; F33-W145 HydrophobicContact CD2-CZ2 4.49Å
34E91.2Very high90Very high136 Ų13658 Ų5864%0.63629%0.292SS*.Hα-helixtrans-56.5-45.5174.7-75.3171.5-177.300111E30 T37 Q38E30-E34 WeakPolarHBondContact O-CG 3.49Å; E30-E34 PolarHBondContact O-N 2.83Å; E34-T37 PolarHBondContact O-N 3.46Å; E34-Q38 PolarHBondContact O-N 2.65Å; E34-Q38 VanDerWaalsContact O-N 3.13Å
35H92.6Very high89Confident26 Ų2661.6 Ų61.612%0.1231%0.31CS..Hα-helixtrans-62.7-47.9177169.469.3000113C22 F24 K31 F32 F33 T37 Q38 H39C22-H35 VanDerWaalsContact SG-CE1 3.58Å; C22-H35 PolarHBondContact SG-NE2 3.2Å; F24-H35 VanDerWaalsContact CB-NE2 3.3Å; F24-H35 WeakPolarHBondContact CB-NE2 3.21Å; F24-H35 HydrophobicContact CD1-CB 3.96Å; F24-H35 AromaticContact CD1-CD2 3.28Å; F24-H35 WeakPolarHBondContact CD1-CD2 3.48Å; F24-H35 AromaticContact CD1-CG 3.43Å; F24-H35 VanDerWaalsContact CD1-CG 3.43Å; F24-H35 AromaticContact CD1-ND1 3.98Å; F24-H35 AromaticContact CD1-NE2 3.74Å; F24-H35 HydrophobicContact CE1-CB 3.72Å; F24-H35 AromaticContact CE1-CD2 3.97Å; F24-H35 AromaticContact CE1-CG 3.73Å; F24-H35 AromaticContact CG-CD2 3.7Å; F24-H35 AromaticContact CG-CE1 3.75Å; F24-H35 AromaticContact CG-CG 3.78Å; F24-H35 AromaticContact CG-ND1 3.82Å; F24-H35 AromaticContact CG-NE2 3.66Å; F24-H35 HydrophobicContact CZ-CB 4.2Å; K31-H35 WeakPolarHBondContact O-CB 3.34Å; K31-H35 PolarHBondContact O-N 2.86Å; K31-H35 VanDerWaalsContact O-N 3.11Å; F32-H35 PolarHBondContact O-N 2.71Å; F33-H35 VanDerWaalsContact C-N 3.29Å; F33-H35 PolarHBondContact O-N 3.38Å; H35-T37 VanDerWaalsContact C-N 3.3Å; H35-T37 PolarHBondContact O-N 3.36Å; H35-Q38 WeakPolarHBondContact O-CB 3.44Å; H35-Q38 PolarHBondContact O-N 3.09Å; H35-H39 AromaticContact CE1-CD2 3.67Å; H35-H39 AromaticContact CE1-NE2 3.21Å; H35-H39 PolarHBondContact CE1-NE2 3.25Å; H35-H39 AromaticContact NE2-CD2 3.5Å; H35-H39 AromaticContact NE2-NE2 3.29Å; H35-H39 PolarHBondContact NE2-NE2 2.92Å; H35-H39 PolarHBondContact O-N 3.13Å
36V92.4Very high87.3Confident0 Ų061.3 Ų61.30%032%0.318CS..Hα-helixtrans-66.7-34.8178.9173.50000111.4F32 F33 Q38 H39 L40 W68 V86F32-V36 HydrophobicContact CD1-CG2 4.38Å; F32-V36 HydrophobicContact CE1-CG2 4.03Å; F32-V36 HydrophobicContact CZ-CG2 4.14Å; F32-V36 WeakPolarHBondContact O-CG2 3.3Å; F32-V36 PolarHBondContact O-N 3.34Å; F33-V36 PolarHBondContact O-N 3.33Å; V36-Q38 PolarHBondContact O-N 3.08Å; V36-H39 WeakPolarHBondContact O-CB 3.45Å; V36-H39 PolarHBondContact O-N 3.32Å; V36-H39 VanDerWaalsContact O-N 3.14Å; V36-L40 PolarHBondContact O-N 2.88Å; V36-W68 HydrophobicContact CG1-CZ3 4.08Å; V36-W68 HydrophobicContact CG2-CH2 4.26Å; V36-W68 HydrophobicContact CG2-CZ3 4.23Å; V36-V86 HydrophobicContact CG1-CG1 3.43Å; V36-V86 VanDerWaalsContact CG1-CG1 3.43Å
37T91.3Very high85Confident33 Ų3367.1 Ų67.120%0.20236%0.356CS..Hα-helixtrans-62.4-34.3175.4-57.50000111.3F33 E34 H35 L40 Q41F33-T37 VanDerWaalsContact O-CB 3.29Å; F33-T37 WeakPolarHBondContact O-CB 3.42Å; F33-T37 PolarHBondContact O-N 2.88Å; F33-T37 PolarHBondContact O-OG1 3.42Å; E34-T37 PolarHBondContact O-N 3.46Å; H35-T37 VanDerWaalsContact C-N 3.3Å; H35-T37 PolarHBondContact O-N 3.36Å; T37-L40 PolarHBondContact O-N 3.32Å; T37-Q41 HydrophobicContact CG2-CG 4.35Å; T37-Q41 WeakPolarHBondContact O-CB 3.27Å; T37-Q41 VanDerWaalsContact O-CG 3.28Å; T37-Q41 WeakPolarHBondContact O-CG 3.28Å; T37-Q41 PolarHBondContact O-N 3.1Å
38Q91.8Very high83Confident106 Ų10666.7 Ų66.750%0.49536%0.364SS..Hα-helixtrans-63.6-42.2173.6-171.4179.523.200112.2E34 H35 V36 Q41 Q42E34-Q38 PolarHBondContact O-N 2.65Å; E34-Q38 VanDerWaalsContact O-N 3.13Å; H35-Q38 WeakPolarHBondContact O-CB 3.44Å; H35-Q38 PolarHBondContact O-N 3.09Å; V36-Q38 PolarHBondContact O-N 3.08Å; Q38-Q41 PolarHBondContact O-N 3.15Å; Q38-Q42 WeakPolarHBondContact O-CB 3.29Å; Q38-Q42 VanDerWaalsContact O-CG 3.26Å; Q38-Q42 WeakPolarHBondContact O-CG 3.41Å; Q38-Q42 PolarHBondContact O-N 3.37Å
39H91.4Very high81Confident37 Ų3774.1 Ų74.117%0.17139%0.393CS..Hα-helixtrans-62.7-43.5174.6-78.7-53.4000112.1W19 C22 H35 V36 Q42 H43W19-H39 AromaticContact CD1-CG 3.75Å; W19-H39 AromaticContact CD1-ND1 3.85Å; W19-H39 HydrophobicContact CD2-CB 4.06Å; W19-H39 HydrophobicContact CG-CB 4.07Å; C22-H39 PolarHBondContact SG-NE2 3.46Å; C22-H39 VanDerWaalsContact SG-NE2 3.36Å; H35-H39 AromaticContact CE1-CD2 3.67Å; H35-H39 AromaticContact CE1-NE2 3.21Å; H35-H39 PolarHBondContact CE1-NE2 3.25Å; H35-H39 AromaticContact NE2-CD2 3.5Å; H35-H39 AromaticContact NE2-NE2 3.29Å; H35-H39 PolarHBondContact NE2-NE2 2.92Å; H35-H39 PolarHBondContact O-N 3.13Å; V36-H39 WeakPolarHBondContact O-CB 3.45Å; V36-H39 PolarHBondContact O-N 3.32Å; V36-H39 VanDerWaalsContact O-N 3.14Å; H39-Q42 PolarHBondContact O-N 2.86Å; H39-H43 WeakPolarHBondContact O-CB 3.48Å; H39-H43 PolarHBondContact O-N 3.33Å
40L88.9Confident79Confident4 Ų482.4 Ų82.42%0.02143%0.432CS..Hα-helixtrans-64.5-43.7179-17361.5000111.6V36 T37 H43 L44 L82 I83 V86 Y87V36-L40 PolarHBondContact O-N 2.88Å; T37-L40 PolarHBondContact O-N 3.32Å; L40-H43 PolarHBondContact O-N 3.46Å; L40-L44 HydrophobicContact CD1-CD1 4.14Å; L40-L44 HydrophobicContact CD1-CG 4.35Å; L40-L44 HydrophobicContact CG-CD1 3.98Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 2.88Å; L40-L82 HydrophobicContact CD1-CD2 4.33Å; L40-L82 HydrophobicContact CD1-CG 4.26Å; L40-I83 HydrophobicContact CD1-CG1 4.27Å; L40-I83 HydrophobicContact CD2-CB 4.04Å; L40-I83 HydrophobicContact CD2-CG1 3.71Å; L40-I83 HydrophobicContact CD2-CG2 3.92Å; L40-I83 HydrophobicContact CG-CG1 4.13Å; L40-V86 HydrophobicContact CD1-CB 4.47Å; L40-V86 HydrophobicContact CD1-CG2 4.27Å; L40-Y87 HydrophobicContact CD2-CE1 4.17Å
41Q88.7Confident77Confident111 Ų11185.9 Ų85.952%0.51945%0.448SS..Hα-helixtrans-59.5-47.8173.1-75.6172.6-13.500110.9T37 Q38 H43 L44 H45T37-Q41 HydrophobicContact CG2-CG 4.35Å; T37-Q41 WeakPolarHBondContact O-CB 3.27Å; T37-Q41 VanDerWaalsContact O-CG 3.28Å; T37-Q41 WeakPolarHBondContact O-CG 3.28Å; T37-Q41 PolarHBondContact O-N 3.1Å; Q38-Q41 PolarHBondContact O-N 3.15Å; Q41-H43 VanDerWaalsContact C-N 3.31Å; Q41-H43 PolarHBondContact O-N 3.08Å; Q41-L44 PolarHBondContact O-N 2.89Å; Q41-H45 VanDerWaalsContact O-CB 3.28Å; Q41-H45 WeakPolarHBondContact O-CB 3.35Å; Q41-H45 PolarHBondContact O-N 2.79Å; Q41-H45 PolarHBondContact O-ND1 2.89Å
42Q86.6Confident74.6Confident114 Ų11489.1 Ų89.153%0.53347%0.465SS..Hα-helixtrans-61.4-38.6177.6-72.2169.1-6.600112.8Q38 H39 H45 G46Q38-Q42 WeakPolarHBondContact O-CB 3.29Å; Q38-Q42 VanDerWaalsContact O-CG 3.26Å; Q38-Q42 WeakPolarHBondContact O-CG 3.41Å; Q38-Q42 PolarHBondContact O-N 3.37Å; H39-Q42 PolarHBondContact O-N 2.86Å; Q42-H45 PolarHBondContact O-N 2.94Å; Q42-G46 PolarHBondContact O-N 2.7Å
43H86Confident72.4Confident54 Ų5498 Ų9825%0.2551%0.506CS..Hα-helixtrans-71.2-36.3179.2-172.9-98.8000112.9W19 H39 L40 Q41 H45 S65 L67W19-H43 HydrophobicContact CZ2-CB 3.96Å; W19-H43 AromaticContact CZ2-CG 3.99Å; H39-H43 WeakPolarHBondContact O-CB 3.48Å; H39-H43 PolarHBondContact O-N 3.33Å; L40-H43 PolarHBondContact O-N 3.46Å; Q41-H43 VanDerWaalsContact C-N 3.31Å; Q41-H43 PolarHBondContact O-N 3.08Å; H43-H45 VanDerWaalsContact C-N 3.33Å; H43-S65 PolarHBondContact CE1-O 3.06Å; H43-S65 VanDerWaalsContact CE1-O 3.23Å; H43-L67 WeakPolarHBondContact CD2-CD1 3.33Å
44L82.9Confident70.6Confident50 Ų50106 Ų10626%0.26254%0.544SS..Hα-helixtrans-78.6-16176.7-66.7173.2000113L40 Q41 F64 L82 I83L40-L44 HydrophobicContact CD1-CD1 4.14Å; L40-L44 HydrophobicContact CD1-CG 4.35Å; L40-L44 HydrophobicContact CG-CD1 3.98Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 2.88Å; Q41-L44 PolarHBondContact O-N 2.89Å; L44-F64 HydrophobicContact CD2-CD1 3.74Å; L44-F64 HydrophobicContact CD2-CE1 3.71Å; L44-L82 HydrophobicContact CD2-CD2 4.23Å; L44-I83 HydrophobicContact CD1-CD1 3.98Å; L44-I83 HydrophobicContact CD1-CG1 3.95Å
45H73.8Confident68.2Low153 Ų153108.5 Ų108.571%0.70856%0.556SS**THydrogen-bonded Turntrans-118.827-173.9-61.878.3000114.2Q41 Q42 H43Q41-H45 VanDerWaalsContact O-CB 3.28Å; Q41-H45 WeakPolarHBondContact O-CB 3.35Å; Q41-H45 PolarHBondContact O-N 2.79Å; Q41-H45 PolarHBondContact O-ND1 2.89Å; Q42-H45 PolarHBondContact O-N 2.94Å; H43-H45 VanDerWaalsContact C-N 3.33Å
46G56Low66.6Low48 Ų48116.5 Ų116.550%0.49559%0.593SS.*  trans-165159.3171.200000116.7Q42Q42-G46 PolarHBondContact O-N 2.7Å
47P44.8Very low64.3Low140 Ų140123.7 Ų123.791%0.90963%0.631SS**SBendcis-103.1108.6-16.633-17.3000110.5
48G46.6Very low62.1Low76 Ų76128.6 Ų128.678%0.78466%0.656SS**SBendtrans-145.39.2-179.800000115.4
49E46.4Very low60.2Low192 Ų192129.2 Ų129.290%0.89767%0.67SS**SBendtrans-126.921.5-177.8-66.4-168.8165.800113.9
50E46Very low58.5Low191 Ų191135 Ų13589%0.89370%0.701SS**SBendtrans-128.898.4166.8-67.7-173.9-17800109.6
51E48.1Very low57Low189 Ų189141 Ų14188%0.88373%0.729SS**  trans66.280.6157-56.2-177.6174.300118.9
52E39.9Very low55.9Low199 Ų199142.3 Ų142.393%0.9374%0.735SS**  trans-135.8106141.4-71.3-167.8168.200109.8
53E46.4Very low55.5Low186 Ų186142.5 Ų142.587%0.86974%0.736SS**  trans-67.7133164-69.1178.1154.200108.8
54E51.3Low55.3Low180 Ų180141.6 Ų141.684%0.84173%0.731SS**  trans52.8104.5157.1-57.5-177.517700117.9
55E41.3Very low55.5Low189 Ų189141.5 Ų141.588%0.88374%0.735SS**  -155.1135.5124.9-73.2-151.1152.200109.8D57E55-D57 PolarHBondContact O-N 3.33Å
56E58.8Low56.2Low194 Ų194134.8 Ų134.891%0.90771%0.705SS**  trans-70.9110170.3-70.2178.7153.800109.3
57D44.2Very low57.8Low151 Ų151136 Ų13681%0.80770%0.7SS**  trans-153.8147.1161.2-100.5-40.2000110.2E55E55-D57 PolarHBondContact O-N 3.33Å
58D45.3Very low59.9Low136 Ų136129.5 Ų129.573%0.72766%0.657SS**  trans-8.8133.4178.9-136.2-0.8000117.4L60D58-L60 VanDerWaalsContact C-N 3.33Å; D58-L60 PolarHBondContact O-N 3.24Å
59P51.7Low61.9Low119 Ų119129.4 Ų129.477%0.77364%0.636SS**  trans-65.396171.63.110.9000108.7E61P59-E61 PolarHBondContact O-N 2.92Å; P59-E61 VanDerWaalsContact O-N 3.1Å
60L54.9Low63.6Low159 Ų159125.8 Ų125.883%0.83262%0.619SS**  trans-60.2112.8169.6-73.9162.6000107.2D58 E62D58-L60 VanDerWaalsContact C-N 3.33Å; D58-L60 PolarHBondContact O-N 3.24Å; L60-E62 PolarHBondContact O-N 3.29Å; L60-E62 VanDerWaalsContact O-N 3.1Å
61E58.2Low65.5Low129 Ų129117.4 Ų117.460%0.60358%0.582SS**  trans-50.4117.1169.5-66.6177.4178.500108.2P59 E63P59-E61 PolarHBondContact O-N 2.92Å; P59-E61 VanDerWaalsContact O-N 3.1Å; E61-E63 PolarHBondContact O-N 3.32Å
62E64.3Low67.1Low139 Ų139112.1 Ų112.165%0.6558%0.578SS**  trans-70.8100.4-179.2-77.9-175.917900108.8L60 F64 D77L60-E62 PolarHBondContact O-N 3.29Å; L60-E62 VanDerWaalsContact O-N 3.1Å; E62-F64 HydrophobicContact CB-CE2 4.28Å; E62-F64 HydrophobicContact CB-CZ 4.42Å; E62-F64 WeakPolarHBondContact O-CD2 3.48Å; E62-F64 PolarHBondContact O-N 2.89Å; E62-D77 PolarHBondContact O-N 2.96Å
63E78.3Confident69.2Low119 Ų119105.5 Ų105.556%0.55655%0.546SS*.EExtended strand (participates in β ladder)trans-79.2112.4178.5-172.5178.2-162.200111.1E61 S65 C74 L76E61-E63 PolarHBondContact O-N 3.32Å; E63-S65 PolarHBondContact O-N 3.47Å; E63-C74 HydrophobicContact CG-CB 3.96Å; E63-C74 WeakPolarHBondContact OE1-CB 3.43Å; E63-C74 PolarHBondContact OE1-SG 3.33Å; E63-L76 HydrophobicContact CB-CD2 4.45Å; E63-L76 HydrophobicContact CG-CD2 4.26Å
64F82.6Confident70.9Confident34 Ų3499.6 Ų99.615%0.14952%0.524CS..EExtended strand (participates in β ladder)trans-87.5101175.6-69-74.6000110.7L44 E62 C74 S75 L82L44-F64 HydrophobicContact CD2-CD1 3.74Å; L44-F64 HydrophobicContact CD2-CE1 3.71Å; E62-F64 HydrophobicContact CB-CE2 4.28Å; E62-F64 HydrophobicContact CB-CZ 4.42Å; E62-F64 WeakPolarHBondContact O-CD2 3.48Å; E62-F64 PolarHBondContact O-N 2.89Å; F64-C74 WeakPolarHBondContact O-CA 3.19Å; F64-S75 PolarHBondContact N-O 3.3Å; F64-S75 PolarHBondContact O-N 3.49Å; F64-L82 HydrophobicContact CB-CB 4.2Å; F64-L82 HydrophobicContact CB-CD2 3.89Å; F64-L82 HydrophobicContact CD1-CD2 4.33Å
65S86.1Confident72.3Confident49 Ų4991.6 Ų91.634%0.34349%0.488SS..EExtended strand (participates in β ladder)trans-93.8146.1177.765.80000113.5H43 E63H43-S65 PolarHBondContact CE1-O 3.06Å; H43-S65 VanDerWaalsContact CE1-O 3.23Å; E63-S65 PolarHBondContact O-N 3.47Å
66C89.1Confident73.8Confident11 Ų1187.6 Ų87.67%0.07447%0.472CS..  trans-86.6120.3175.3-172.60000111.1W68 F73 L82 H85C66-W68 VanDerWaalsContact C-N 3.26Å; C66-W68 PolarHBondContact O-N 3.39Å; C66-F73 HydrophobicContact CB-CB 3.99Å; C66-F73 HydrophobicContact CB-CD1 4.22Å; C66-F73 PolarHBondContact N-O 2.91Å; C66-L82 HydrophobicContact CB-CD1 3.86Å; C66-H85 VanDerWaalsContact SG-CD2 3.58Å
67L88.8Confident74Confident74 Ų7483.5 Ų83.539%0.38746%0.457SS..  trans-86.612.2178.4-56.4-175.8000114W19 G20 H43 Q69W19-L67 HydrophobicContact CD2-CB 4.23Å; W19-L67 HydrophobicContact CH2-CB 4.35Å; W19-L67 HydrophobicContact CZ2-CB 3.82Å; W19-L67 HydrophobicContact CZ2-CD1 4.03Å; W19-L67 HydrophobicContact CZ2-CG 4.06Å; G20-L67 PolarHBondContact N-O 3.48Å; H43-L67 WeakPolarHBondContact CD2-CD1 3.33Å; L67-Q69 PolarHBondContact O-N 3.45Å
68W90.4Very high75.5Confident4 Ų479.5 Ų79.52%0.01544%0.435CS..BIsolated β-bridgetrans-68.5131.8172.3-150.5-75.9000109.3E18 W19 F32 V36 C66 E70 C71 V86 H89E18-W68 HydrophobicContact CB-CZ2 4.38Å; W19-W68 AromaticContact CE3-CE3 3.94Å; W19-W68 HydrophobicContact CE3-CE3 3.94Å; W19-W68 HydrophobicContact CE3-CZ3 4.44Å; F32-W68 HydrophobicContact CE1-CH2 4.27Å; F32-W68 HydrophobicContact CZ-CH2 4.14Å; V36-W68 HydrophobicContact CG1-CZ3 4.08Å; V36-W68 HydrophobicContact CG2-CH2 4.26Å; V36-W68 HydrophobicContact CG2-CZ3 4.23Å; C66-W68 VanDerWaalsContact C-N 3.26Å; C66-W68 PolarHBondContact O-N 3.39Å; W68-E70 PolarHBondContact O-N 3.26Å; W68-C71 HydrophobicContact CB-CB 4.05Å; W68-C71 VanDerWaalsContact O-CB 3.31Å; W68-C71 WeakPolarHBondContact O-CB 3.39Å; W68-C71 PolarHBondContact O-N 3.05Å; W68-C71 VanDerWaalsContact O-N 3.12Å; W68-V86 HydrophobicContact CE3-CG1 4.5Å; W68-V86 HydrophobicContact CZ3-CG1 4.4Å; W68-H89 AromaticContact CD1-CE1 3.67Å; W68-H89 AromaticContact CD1-ND1 3.39Å; W68-H89 HydrophobicContact CD2-CB 3.49Å; W68-H89 VanDerWaalsContact CD2-CB 3.49Å; W68-H89 AromaticContact CD2-CG 3.5Å; W68-H89 VanDerWaalsContact CD2-CG 3.5Å; W68-H89 AromaticContact CD2-ND1 3.66Å; W68-H89 AromaticContact CE2-CG 3.9Å; W68-H89 AromaticContact CE2-ND1 3.82Å; W68-H89 HydrophobicContact CE3-CB 3.47Å; W68-H89 VanDerWaalsContact CE3-CB 3.47Å; W68-H89 AromaticContact CE3-CG 3.81Å; W68-H89 HydrophobicContact CG-CB 4.19Å; W68-H89 AromaticContact CG-CD2 3.97Å; W68-H89 AromaticContact CG-CE1 3.6Å; W68-H89 AromaticContact CG-CG 3.64Å; W68-H89 AromaticContact CG-ND1 3.41Å; W68-H89 AromaticContact CG-NE2 3.93Å; W68-H89 HydrophobicContact CH2-CB 3.84Å; W68-H89 HydrophobicContact CZ2-CB 3.85Å; W68-H89 HydrophobicContact CZ3-CB 3.65Å; W68-H89 AromaticContact NE1-ND1 3.59Å
69Q87.9Confident77.2Confident74 Ų7475.2 Ų75.235%0.34642%0.416SS..THydrogen-bonded Turntrans-50.3129.8-175.9-74.6170.627.700111.7E18 G20 L67 C71 N120E18-Q69 HydrophobicContact CB-CB 4.43Å; E18-Q69 HydrophobicContact CB-CG 4.45Å; E18-Q69 WeakPolarHBondContact O-CG 3.4Å; E18-Q69 PolarHBondContact O-N 3.39Å; G20-Q69 PolarHBondContact O-NE2 2.66Å; L67-Q69 PolarHBondContact O-N 3.45Å; Q69-C71 PolarHBondContact O-N 3.12Å; Q69-N120 WeakPolarHBondContact O-CB 3.37Å; Q69-N120 PolarHBondContact O-ND2 3.1Å
70E81.9Confident78.7Confident115 Ų11571.6 Ų71.654%0.53740%0.397SS..THydrogen-bonded Turntrans56.127.5177.1-47.2-59.2129.200114.7W68W68-E70 PolarHBondContact O-N 3.26Å
71C86.1Confident80.1Confident16 Ų1666 Ų6611%0.10837%0.367CS..  trans-85.6-56.5174.9-176.80000112.2W68 Q69 F73 H85 H89W68-C71 HydrophobicContact CB-CB 4.05Å; W68-C71 VanDerWaalsContact O-CB 3.31Å; W68-C71 WeakPolarHBondContact O-CB 3.39Å; W68-C71 PolarHBondContact O-N 3.05Å; W68-C71 VanDerWaalsContact O-N 3.12Å; Q69-C71 PolarHBondContact O-N 3.12Å; C71-F73 VanDerWaalsContact C-N 3.26Å; C71-F73 PolarHBondContact O-N 3.01Å; C71-H85 VanDerWaalsContact SG-CE1 3.54Å; C71-H85 PolarHBondContact SG-NE2 2.75Å; C71-H89 PolarHBondContact SG-NE2 2.71Å
72G81.1Confident81.5Confident77 Ų7759.8 Ų59.879%0.79434%0.338SS*.  trans71.414.2179.400000115.1
73F84.3Confident82.6Confident61 Ų6155.3 Ų55.327%0.26832%0.318SS..  trans-75.6136.7174.9177.6-94000111.7C66 C71 L82 H85C66-F73 HydrophobicContact CB-CB 3.99Å; C66-F73 HydrophobicContact CB-CD1 4.22Å; C66-F73 PolarHBondContact N-O 2.91Å; C71-F73 VanDerWaalsContact C-N 3.26Å; C71-F73 PolarHBondContact O-N 3.01Å; F73-L82 HydrophobicContact CD1-CD1 4.43Å; F73-H85 WeakPolarHBondContact CB-CE1 3.49Å; F73-H85 WeakPolarHBondContact CB-NE2 3.1Å; F73-H85 HydrophobicContact CD1-CB 4.14Å; F73-H85 AromaticContact CD1-CD2 3.83Å; F73-H85 AromaticContact CD1-CE1 3.8Å; F73-H85 AromaticContact CD1-CG 3.57Å; F73-H85 AromaticContact CD1-ND1 3.54Å; F73-H85 AromaticContact CD1-NE2 3.98Å; F73-H85 AromaticContact CD2-CE1 3.5Å; F73-H85 AromaticContact CD2-ND1 3.35Å; F73-H85 VanDerWaalsContact CD2-ND1 3.35Å; F73-H85 WeakPolarHBondContact CD2-ND1 3.39Å; F73-H85 HydrophobicContact CE1-CB 3.91Å; F73-H85 AromaticContact CE1-CG 3.82Å; F73-H85 AromaticContact CE1-ND1 3.87Å; F73-H85 AromaticContact CE2-ND1 3.69Å; F73-H85 AromaticContact CG-CE1 3.21Å; F73-H85 WeakPolarHBondContact CG-CE1 3.2Å; F73-H85 AromaticContact CG-CG 3.79Å; F73-H85 AromaticContact CG-ND1 3.27Å; F73-H85 VanDerWaalsContact CG-ND1 3.27Å; F73-H85 WeakPolarHBondContact CG-ND1 3.5Å; F73-H85 AromaticContact CG-NE2 3.68Å; F73-H85 HydrophobicContact CZ-CB 4.29Å; F73-H85 AromaticContact CZ-ND1 3.94Å
74C82.8Confident83.1Confident61 Ų6150.2 Ų50.241%0.41229%0.294SS..EExtended strand (participates in β ladder)trans-134.7148.5168.659.70000110.4E63 F64E63-C74 HydrophobicContact CG-CB 3.96Å; E63-C74 WeakPolarHBondContact OE1-CB 3.43Å; E63-C74 PolarHBondContact OE1-SG 3.33Å; F64-C74 WeakPolarHBondContact O-CA 3.19Å
75S80.2Confident83.4Confident12 Ų1249 Ų498%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-125.6135.1173.9-171.10000109F64F64-S75 PolarHBondContact N-O 3.3Å; F64-S75 PolarHBondContact O-N 3.49Å
76L72.9Confident83.6Confident105 Ų10546.6 Ų46.655%0.5527%0.272SS..EExtended strand (participates in β ladder)trans-86.2125.2171.7-57.7171.7000107.4E63 N78E63-L76 HydrophobicContact CB-CD2 4.45Å; E63-L76 HydrophobicContact CG-CD2 4.26Å; L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 3.19Å
77D63.6Low83.7Confident108 Ų10848.2 Ų48.258%0.57828%0.277SS*.SBendtrans64.3-7.5169.2-54.1-31.1000119.9E62E62-D77 PolarHBondContact O-N 2.96Å
78N75Confident83.8Confident67 Ų6745.5 Ų45.536%0.35826%0.262SS..  trans-119.599.7-178.5-165.3-4.3000114.5L76 A80 D81L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 3.19Å; N78-A80 PolarHBondContact O-N 2.85Å; N78-A80 WeakPolarHBondContact OD1-CB 3.25Å; N78-A80 PolarHBondContact OD1-N 2.87Å; N78-D81 HydrophobicContact CB-CB 4.44Å; N78-D81 VanDerWaalsContact ND2-CG 3.34Å; N78-D81 PolarHBondContact ND2-OD1 3.37Å; N78-D81 PolarHBondContact ND2-OD2 3.36Å; N78-D81 PolarHBondContact O-N 3.37Å
79S81.3Confident83.9Confident47 Ų4745.4 Ų45.433%0.32926%0.262SS..Hα-helixtrans-62.7-25.3175.162.50000113.7D81 L82 I83S79-D81 VanDerWaalsContact C-N 3.28Å; S79-D81 PolarHBondContact O-N 3.29Å; S79-L82 PolarHBondContact O-N 3.4Å; S79-I83 WeakPolarHBondContact O-CD1 3.47Å; S79-I83 WeakPolarHBondContact O-CG1 3.38Å; S79-I83 PolarHBondContact O-N 2.93Å
80A83.3Confident84Confident43 Ų4341.9 Ų41.936%0.35525%0.245SC..Hα-helixtrans-65.7-32.1177.200000112.2N78 I83 R84N78-A80 PolarHBondContact O-N 2.85Å; N78-A80 WeakPolarHBondContact OD1-CB 3.25Å; N78-A80 PolarHBondContact OD1-N 2.87Å; A80-I83 PolarHBondContact O-N 3.2Å; A80-R84 VanDerWaalsContact O-CG 3.32Å; A80-R84 WeakPolarHBondContact O-CG 3.24Å; A80-R84 PolarHBondContact O-N 2.92Å; A80-R84 PolarHBondContact O-NE 3.41Å
81D84.3Confident84.5Confident40 Ų4036.5 Ų36.521%0.21422%0.22CC..Hα-helixtrans-71.7-42.8-178.9-633.8000109.9N78 S79 I83 R84 H85N78-D81 HydrophobicContact CB-CB 4.44Å; N78-D81 VanDerWaalsContact ND2-CG 3.34Å; N78-D81 PolarHBondContact ND2-OD1 3.37Å; N78-D81 PolarHBondContact ND2-OD2 3.36Å; N78-D81 PolarHBondContact O-N 3.37Å; S79-D81 VanDerWaalsContact C-N 3.28Å; S79-D81 PolarHBondContact O-N 3.29Å; D81-I83 VanDerWaalsContact C-N 3.33Å; D81-I83 PolarHBondContact O-N 2.69Å; D81-R84 PolarHBondContact O-N 3.27Å; D81-R84 IonicContact OD1-CZ 2.63Å; D81-R84 IonicContact OD1-NE 2.65Å; D81-R84 IonicContact OD1-NH2 3Å; D81-R84 PolarHBondContact OD1-NH2 3.22Å; D81-R84 IonicContact OD2-NH2 2.68Å; D81-H85 WeakPolarHBondContact O-CB 3.42Å; D81-H85 PolarHBondContact O-N 3.01Å
82L86.5Confident84.8Confident0 Ų035.8 Ų35.80%022%0.215CC..Hα-helixtrans-59.6-43.8170.7-179.963.6000111L40 L44 F64 C66 F73 S79 H85 V86L40-L82 HydrophobicContact CD1-CD2 4.33Å; L40-L82 HydrophobicContact CD1-CG 4.26Å; L44-L82 HydrophobicContact CD2-CD2 4.23Å; F64-L82 HydrophobicContact CB-CB 4.2Å; F64-L82 HydrophobicContact CB-CD2 3.89Å; F64-L82 HydrophobicContact CD1-CD2 4.33Å; C66-L82 HydrophobicContact CB-CD1 3.86Å; F73-L82 HydrophobicContact CD1-CD1 4.43Å; S79-L82 PolarHBondContact O-N 3.4Å; L82-H85 WeakPolarHBondContact O-CB 3.35Å; L82-H85 PolarHBondContact O-N 3.42Å; L82-V86 HydrophobicContact CD1-CG2 3.94Å; L82-V86 HydrophobicContact CG-CG2 4.32Å; L82-V86 WeakPolarHBondContact O-CB 3.39Å; L82-V86 WeakPolarHBondContact O-CG2 3.47Å; L82-V86 PolarHBondContact O-N 3.22Å
83I87.9Confident85.3Confident44 Ų4432.6 Ų32.623%0.22618%0.18CC..Hα-helixtrans-60-50.9179.3-67161.3000111.3L40 L44 S79 A80 D81 H85 V86 Y87L40-I83 HydrophobicContact CD1-CG1 4.27Å; L40-I83 HydrophobicContact CD2-CB 4.04Å; L40-I83 HydrophobicContact CD2-CG1 3.71Å; L40-I83 HydrophobicContact CD2-CG2 3.92Å; L40-I83 HydrophobicContact CG-CG1 4.13Å; L44-I83 HydrophobicContact CD1-CD1 3.98Å; L44-I83 HydrophobicContact CD1-CG1 3.95Å; S79-I83 WeakPolarHBondContact O-CD1 3.47Å; S79-I83 WeakPolarHBondContact O-CG1 3.38Å; S79-I83 PolarHBondContact O-N 2.93Å; A80-I83 PolarHBondContact O-N 3.2Å; D81-I83 VanDerWaalsContact C-N 3.33Å; D81-I83 PolarHBondContact O-N 2.69Å; I83-H85 VanDerWaalsContact C-N 3.3Å; I83-H85 PolarHBondContact O-N 3.35Å; I83-V86 PolarHBondContact O-N 3.5Å; I83-Y87 HydrophobicContact CG2-CD2 3.87Å; I83-Y87 HydrophobicContact CG2-CE2 3.4Å; I83-Y87 PolarHBondContact O-N 3.24Å
84R87.9Confident85.7Confident12 Ų1230.3 Ų30.35%0.04517%0.17CC..Hα-helixtrans-59.7-43.1178-70.2-179.4-62.8119.6-15.9111.4A80 D81 V86 Y87 F88 P126 D127 D141A80-R84 VanDerWaalsContact O-CG 3.32Å; A80-R84 WeakPolarHBondContact O-CG 3.24Å; A80-R84 PolarHBondContact O-N 2.92Å; A80-R84 PolarHBondContact O-NE 3.41Å; D81-R84 PolarHBondContact O-N 3.27Å; D81-R84 IonicContact OD1-CZ 2.63Å; D81-R84 IonicContact OD1-NE 2.65Å; D81-R84 IonicContact OD1-NH2 3Å; D81-R84 PolarHBondContact OD1-NH2 3.22Å; D81-R84 IonicContact OD2-NH2 2.68Å; R84-V86 PolarHBondContact O-N 2.93Å; R84-Y87 PolarHBondContact O-N 3.37Å; R84-F88 PolarHBondContact O-N 2.88Å; R84-P126 PolarHBondContact NH1-O 3.41Å; R84-D127 WeakPolarHBondContact CD-O 3.18Å; R84-D127 PolarHBondContact NE-O 3.42Å; R84-D127 VanDerWaalsContact NE-O 3.14Å; R84-D127 PolarHBondContact NH1-O 3.33Å; R84-D127 VanDerWaalsContact NH1-O 3.16Å; R84-D127 IonicContact NH2-OD1 3.89Å; R84-D127 PolarHBondContact NH2-OD1 2.87Å; R84-D141 HydrophobicContact CG-CB 3.96Å
85H89.7Confident86.1Confident8 Ų827.4 Ų27.44%0.03715%0.151CC..Hα-helixtrans-57.9-48.2176.6-177.597.6000112.3C66 C71 F73 D81 L82 I83 Y87 F88 H89 I122 I125C66-H85 VanDerWaalsContact SG-CD2 3.58Å; C71-H85 VanDerWaalsContact SG-CE1 3.54Å; C71-H85 PolarHBondContact SG-NE2 2.75Å; F73-H85 WeakPolarHBondContact CB-CE1 3.49Å; F73-H85 WeakPolarHBondContact CB-NE2 3.1Å; F73-H85 HydrophobicContact CD1-CB 4.14Å; F73-H85 AromaticContact CD1-CD2 3.83Å; F73-H85 AromaticContact CD1-CE1 3.8Å; F73-H85 AromaticContact CD1-CG 3.57Å; F73-H85 AromaticContact CD1-ND1 3.54Å; F73-H85 AromaticContact CD1-NE2 3.98Å; F73-H85 AromaticContact CD2-CE1 3.5Å; F73-H85 AromaticContact CD2-ND1 3.35Å; F73-H85 VanDerWaalsContact CD2-ND1 3.35Å; F73-H85 WeakPolarHBondContact CD2-ND1 3.39Å; F73-H85 HydrophobicContact CE1-CB 3.91Å; F73-H85 AromaticContact CE1-CG 3.82Å; F73-H85 AromaticContact CE1-ND1 3.87Å; F73-H85 AromaticContact CE2-ND1 3.69Å; F73-H85 AromaticContact CG-CE1 3.21Å; F73-H85 WeakPolarHBondContact CG-CE1 3.2Å; F73-H85 AromaticContact CG-CG 3.79Å; F73-H85 AromaticContact CG-ND1 3.27Å; F73-H85 VanDerWaalsContact CG-ND1 3.27Å; F73-H85 WeakPolarHBondContact CG-ND1 3.5Å; F73-H85 AromaticContact CG-NE2 3.68Å; F73-H85 HydrophobicContact CZ-CB 4.29Å; F73-H85 AromaticContact CZ-ND1 3.94Å; D81-H85 WeakPolarHBondContact O-CB 3.42Å; D81-H85 PolarHBondContact O-N 3.01Å; L82-H85 WeakPolarHBondContact O-CB 3.35Å; L82-H85 PolarHBondContact O-N 3.42Å; I83-H85 VanDerWaalsContact C-N 3.3Å; I83-H85 PolarHBondContact O-N 3.35Å; H85-Y87 PolarHBondContact O-N 3.46Å; H85-F88 WeakPolarHBondContact O-CB 3.45Å; H85-F88 PolarHBondContact O-N 3.12Å; H85-F88 VanDerWaalsContact O-N 3.15Å; H85-H89 AromaticContact CD2-CD2 3.62Å; H85-H89 AromaticContact CD2-NE2 3.63Å; H85-H89 AromaticContact NE2-CD2 3.57Å; H85-H89 AromaticContact NE2-NE2 3.06Å; H85-H89 PolarHBondContact NE2-NE2 3Å; H85-H89 PolarHBondContact O-CD2 3.24Å; H85-H89 PolarHBondContact O-N 3.27Å; H85-H89 VanDerWaalsContact O-N 3.15Å; H85-I122 WeakPolarHBondContact CE1-CD1 3.23Å; H85-I122 VanDerWaalsContact CE1-CG1 3.42Å; H85-I122 WeakPolarHBondContact CE1-CG1 3.49Å; H85-I125 HydrophobicContact CB-CD1 4.26Å
86V90.4Very high86.7Confident0 Ų027.2 Ų27.20%015%0.148CC..Hα-helixtrans-68.6-35.7179.8174.30000112.1W19 V36 L40 W68 L82 I83 R84 F88 H89 C90W19-V86 HydrophobicContact CE3-CG1 4.2Å; W19-V86 HydrophobicContact CH2-CG2 4.16Å; W19-V86 HydrophobicContact CZ3-CB 4.3Å; W19-V86 HydrophobicContact CZ3-CG1 3.7Å; W19-V86 HydrophobicContact CZ3-CG2 3.54Å; V36-V86 HydrophobicContact CG1-CG1 3.43Å; V36-V86 VanDerWaalsContact CG1-CG1 3.43Å; L40-V86 HydrophobicContact CD1-CB 4.47Å; L40-V86 HydrophobicContact CD1-CG2 4.27Å; W68-V86 HydrophobicContact CE3-CG1 4.5Å; W68-V86 HydrophobicContact CZ3-CG1 4.4Å; L82-V86 HydrophobicContact CD1-CG2 3.94Å; L82-V86 HydrophobicContact CG-CG2 4.32Å; L82-V86 WeakPolarHBondContact O-CB 3.39Å; L82-V86 WeakPolarHBondContact O-CG2 3.47Å; L82-V86 PolarHBondContact O-N 3.22Å; I83-V86 PolarHBondContact O-N 3.5Å; R84-V86 PolarHBondContact O-N 2.93Å; V86-F88 VanDerWaalsContact C-N 3.28Å; V86-F88 PolarHBondContact O-N 3.24Å; V86-H89 WeakPolarHBondContact O-CB 3.4Å; V86-H89 PolarHBondContact O-N 2.88Å; V86-H89 VanDerWaalsContact O-N 3.17Å; V86-C90 PolarHBondContact O-N 2.99Å; V86-C90 PolarHBondContact O-SG 2.95Å
87Y90.8Very high87.6Confident44 Ų4423.2 Ų23.217%0.17313%0.127CC..Hα-helixtrans-65.9-32.4172-68.8-18.2000112.8F33 L40 I83 R84 H85 H89 C90 Y91 N142F33-Y87 HydrophobicContact CD1-CD1 4.23Å; F33-Y87 HydrophobicContact CE1-CD1 4.35Å; L40-Y87 HydrophobicContact CD2-CE1 4.17Å; I83-Y87 HydrophobicContact CG2-CD2 3.87Å; I83-Y87 HydrophobicContact CG2-CE2 3.4Å; I83-Y87 PolarHBondContact O-N 3.24Å; R84-Y87 PolarHBondContact O-N 3.37Å; H85-Y87 PolarHBondContact O-N 3.46Å; Y87-H89 VanDerWaalsContact C-N 3.34Å; Y87-C90 WeakPolarHBondContact O-CB 3.39Å; Y87-C90 PolarHBondContact O-N 2.86Å; Y87-Y91 PolarHBondContact O-N 3.37Å; Y87-Y91 VanDerWaalsContact O-N 3.17Å; Y87-N142 HydrophobicContact CD2-CB 4.29Å
88F91Very high88.9Confident18 Ų1821.4 Ų21.48%0.07911%0.112CC..Hα-helixtrans-66.5-35.3171.8-163.5-75.2000112R84 H85 V86 C90 Y91 H92 I122 I125 P143 M207R84-F88 PolarHBondContact O-N 2.88Å; H85-F88 WeakPolarHBondContact O-CB 3.45Å; H85-F88 PolarHBondContact O-N 3.12Å; H85-F88 VanDerWaalsContact O-N 3.15Å; V86-F88 VanDerWaalsContact C-N 3.28Å; V86-F88 PolarHBondContact O-N 3.24Å; F88-C90 PolarHBondContact O-N 3.07Å; F88-Y91 HydrophobicContact CZ-CD1 4.46Å; F88-Y91 CarbonylContact O-C 3.59Å; F88-Y91 WeakPolarHBondContact O-CB 3.4Å; F88-Y91 PolarHBondContact O-N 3.43Å; F88-H92 HydrophobicContact CD1-CB 4.34Å; F88-H92 HydrophobicContact CE1-CB 4.39Å; F88-H92 WeakPolarHBondContact O-CB 3.17Å; F88-H92 PolarHBondContact O-N 2.91Å; F88-I122 HydrophobicContact CB-CD1 3.86Å; F88-I122 HydrophobicContact CD1-CB 3.87Å; F88-I122 HydrophobicContact CD1-CD1 3.74Å; F88-I122 HydrophobicContact CD1-CG1 4.41Å; F88-I122 HydrophobicContact CD1-CG2 3.77Å; F88-I122 HydrophobicContact CE1-CB 4.04Å; F88-I122 HydrophobicContact CE1-CG2 4Å; F88-I122 HydrophobicContact CG-CD1 4.07Å; F88-I125 HydrophobicContact CB-CD1 3.45Å; F88-I125 VanDerWaalsContact CB-CD1 3.45Å; F88-I125 HydrophobicContact CB-CG1 4.33Å; F88-I125 HydrophobicContact CD2-CD1 4Å; F88-I125 HydrophobicContact CD2-CG1 3.95Å; F88-I125 HydrophobicContact CG-CD1 3.78Å; F88-I125 HydrophobicContact CG-CG1 4.17Å; F88-P143 HydrophobicContact CB-CG 4.14Å; F88-P143 HydrophobicContact CD2-CB 4.22Å; F88-P143 HydrophobicContact CD2-CG 3.5Å; F88-P143 HydrophobicContact CE2-CG 4.28Å; F88-P143 HydrophobicContact CG-CG 4.18Å; F88-M207 HydrophobicContact CE1-CE 3.98Å; F88-M207 HydrophobicContact CE1-SD 3.72Å; F88-M207 HydrophobicContact CZ-CE 3.86Å; F88-M207 HydrophobicContact CZ-SD 3.82Å
89H92.1Very high89.7Confident1 Ų118.2 Ų18.21%0.00510%0.095CC..Hα-helixtrans-59.7-35.1171.1-81.5-77000113.2W68 C71 H85 V86 Y87 H92 T93 N120W68-H89 AromaticContact CD1-CE1 3.67Å; W68-H89 AromaticContact CD1-ND1 3.39Å; W68-H89 HydrophobicContact CD2-CB 3.49Å; W68-H89 VanDerWaalsContact CD2-CB 3.49Å; W68-H89 AromaticContact CD2-CG 3.5Å; W68-H89 VanDerWaalsContact CD2-CG 3.5Å; W68-H89 AromaticContact CD2-ND1 3.66Å; W68-H89 AromaticContact CE2-CG 3.9Å; W68-H89 AromaticContact CE2-ND1 3.82Å; W68-H89 HydrophobicContact CE3-CB 3.47Å; W68-H89 VanDerWaalsContact CE3-CB 3.47Å; W68-H89 AromaticContact CE3-CG 3.81Å; W68-H89 HydrophobicContact CG-CB 4.19Å; W68-H89 AromaticContact CG-CD2 3.97Å; W68-H89 AromaticContact CG-CE1 3.6Å; W68-H89 AromaticContact CG-CG 3.64Å; W68-H89 AromaticContact CG-ND1 3.41Å; W68-H89 AromaticContact CG-NE2 3.93Å; W68-H89 HydrophobicContact CH2-CB 3.84Å; W68-H89 HydrophobicContact CZ2-CB 3.85Å; W68-H89 HydrophobicContact CZ3-CB 3.65Å; W68-H89 AromaticContact NE1-ND1 3.59Å; C71-H89 PolarHBondContact SG-NE2 2.71Å; H85-H89 AromaticContact CD2-CD2 3.62Å; H85-H89 AromaticContact CD2-NE2 3.63Å; H85-H89 AromaticContact NE2-CD2 3.57Å; H85-H89 AromaticContact NE2-NE2 3.06Å; H85-H89 PolarHBondContact NE2-NE2 3Å; H85-H89 PolarHBondContact O-CD2 3.24Å; H85-H89 PolarHBondContact O-N 3.27Å; H85-H89 VanDerWaalsContact O-N 3.15Å; V86-H89 WeakPolarHBondContact O-CB 3.4Å; V86-H89 PolarHBondContact O-N 2.88Å; V86-H89 VanDerWaalsContact O-N 3.17Å; Y87-H89 VanDerWaalsContact C-N 3.34Å; H89-H92 PolarHBondContact O-N 3.32Å; H89-T93 WeakPolarHBondContact O-CB 3.31Å; H89-T93 PolarHBondContact O-N 2.78Å; H89-T93 PolarHBondContact O-OG1 3.39Å; H89-N120 PolarHBondContact CE1-O 3.32Å
90C91.8Very high90.1Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-64.7-46.1174.7-60.50000111.6F32 F33 V86 Y87 F88 T93 K94F32-C90 HydrophobicContact CD1-CB 4.05Å; F32-C90 HydrophobicContact CE1-CB 3.98Å; F33-C90 HydrophobicContact CD1-CB 3.75Å; F33-C90 HydrophobicContact CE1-CB 3.2Å; F33-C90 HydrophobicContact CZ-CB 3.65Å; V86-C90 PolarHBondContact O-N 2.99Å; V86-C90 PolarHBondContact O-SG 2.95Å; Y87-C90 WeakPolarHBondContact O-CB 3.39Å; Y87-C90 PolarHBondContact O-N 2.86Å; F88-C90 PolarHBondContact O-N 3.07Å; C90-T93 PolarHBondContact O-N 3.21Å; C90-K94 PolarHBondContact O-N 3.14Å
91Y91.1Very high90.4Very high2 Ų219.4 Ų19.41%0.0089%0.089CC..Hα-helixtrans-61.5-44.5173.5-178.8-110.5000111.7Y87 F88 T93 K94 L95 P143 E144 Y147 E196 K197Y87-Y91 PolarHBondContact O-N 3.37Å; Y87-Y91 VanDerWaalsContact O-N 3.17Å; F88-Y91 HydrophobicContact CZ-CD1 4.46Å; F88-Y91 CarbonylContact O-C 3.59Å; F88-Y91 WeakPolarHBondContact O-CB 3.4Å; F88-Y91 PolarHBondContact O-N 3.43Å; Y91-T93 VanDerWaalsContact C-N 3.31Å; Y91-T93 PolarHBondContact O-N 3.07Å; Y91-K94 VanDerWaalsContact O-CB 3.29Å; Y91-K94 WeakPolarHBondContact O-CB 3.45Å; Y91-K94 PolarHBondContact O-N 2.91Å; Y91-K94 VanDerWaalsContact O-N 3.15Å; Y91-L95 HydrophobicContact CD1-CD1 4.09Å; Y91-L95 HydrophobicContact CD1-CG 4.25Å; Y91-L95 HydrophobicContact CE1-CD1 3.6Å; Y91-L95 HydrophobicContact CE1-CD2 4.21Å; Y91-L95 HydrophobicContact CE1-CG 3.95Å; Y91-L95 HydrophobicContact CE2-CD2 4.3Å; Y91-L95 WeakPolarHBondContact O-CG 3.1Å; Y91-L95 PolarHBondContact O-N 3.31Å; Y91-P143 HydrophobicContact CD1-CB 4.33Å; Y91-P143 HydrophobicContact CG-CB 4.29Å; Y91-E144 HydrophobicContact CD2-CB 4Å; Y91-E144 VanDerWaalsContact CD2-OE2 3.25Å; Y91-E144 WeakPolarHBondContact CD2-OE2 3.43Å; Y91-E144 WeakPolarHBondContact CE2-OE2 3.42Å; Y91-Y147 HydrophobicContact CD1-CE2 4.45Å; Y91-Y147 HydrophobicContact CE1-CD2 4.16Å; Y91-Y147 AromaticContact CE1-CE2 3.73Å; Y91-Y147 HydrophobicContact CE1-CE2 3.73Å; Y91-Y147 AromaticContact CE2-CD2 3.85Å; Y91-Y147 HydrophobicContact CE2-CD2 3.85Å; Y91-Y147 HydrophobicContact CE2-CE2 4.27Å; Y91-Y147 AromaticContact CZ-CD2 3.56Å; Y91-Y147 AromaticContact CZ-CE2 3.61Å; Y91-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y91-E196 WeakPolarHBondContact OH-CG 3.31Å; Y91-E196 PolarHBondContact OH-OE1 2.88Å; Y91-K197 PolarHBondContact OH-O 3.02Å
92H92.4Very high90.7Very high1 Ų118.1 Ų18.11%0.0058%0.084CC..Hα-helixtrans-61.7-39.4178-176.1-160.6000111.6F88 H89 K94 L95 K96 R119 I122 G205F88-H92 HydrophobicContact CD1-CB 4.34Å; F88-H92 HydrophobicContact CE1-CB 4.39Å; F88-H92 WeakPolarHBondContact O-CB 3.17Å; F88-H92 PolarHBondContact O-N 2.91Å; H89-H92 PolarHBondContact O-N 3.32Å; H92-K94 VanDerWaalsContact C-N 3.33Å; H92-K94 PolarHBondContact O-N 3.05Å; H92-L95 CarbonylContact O-C 3.58Å; H92-L95 WeakPolarHBondContact O-CB 3.26Å; H92-L95 PolarHBondContact O-N 3.26Å; H92-L95 VanDerWaalsContact O-N 3.11Å; H92-K96 WeakPolarHBondContact O-CG 3.22Å; H92-K96 PolarHBondContact O-N 3.24Å; H92-R119 PolarHBondContact CE1-O 3.39Å; H92-I122 HydrophobicContact CB-CG2 4.42Å; H92-G205 PolarHBondContact NE2-O 2.84Å; H92-G205 VanDerWaalsContact NE2-O 3.09Å
93T92.7Very high90.8Very high10 Ų1019 Ų196%0.0619%0.089CC..Hα-helixtrans-60.3-42.8174.8-61.20000111.7L15 F32 H89 C90 Y91 L95 K96 Q97L15-T93 HydrophobicContact CB-CG2 4.48Å; L15-T93 HydrophobicContact CD2-CG2 4.26Å; F32-T93 HydrophobicContact CE1-CG2 4.39Å; F32-T93 HydrophobicContact CZ-CG2 4.18Å; H89-T93 WeakPolarHBondContact O-CB 3.31Å; H89-T93 PolarHBondContact O-N 2.78Å; H89-T93 PolarHBondContact O-OG1 3.39Å; C90-T93 PolarHBondContact O-N 3.21Å; Y91-T93 VanDerWaalsContact C-N 3.31Å; Y91-T93 PolarHBondContact O-N 3.07Å; T93-L95 PolarHBondContact O-N 2.77Å; T93-K96 PolarHBondContact O-N 3.11Å; T93-Q97 PolarHBondContact O-N 3.18Å
94K92.3Very high90.8Very high13 Ų1323.6 Ų23.66%0.05711%0.109CC..Hα-helixtrans-59.5-45.4171.8-178.3-170.7170.8-170.60111.7L13 L15 M29 C90 Y91 H92 K96 Q97 W98 E144L13-K94 HydrophobicContact CD2-CG 4.16Å; L15-K94 HydrophobicContact CD2-CB 4.14Å; M29-K94 HydrophobicContact CE-CB 4.11Å; M29-K94 HydrophobicContact CE-CD 4.13Å; M29-K94 HydrophobicContact CG-CD 4.11Å; M29-K94 HydrophobicContact SD-CB 3.71Å; M29-K94 HydrophobicContact SD-CD 3.73Å; M29-K94 HydrophobicContact SD-CG 3.85Å; C90-K94 PolarHBondContact O-N 3.14Å; Y91-K94 VanDerWaalsContact O-CB 3.29Å; Y91-K94 WeakPolarHBondContact O-CB 3.45Å; Y91-K94 PolarHBondContact O-N 2.91Å; Y91-K94 VanDerWaalsContact O-N 3.15Å; H92-K94 VanDerWaalsContact C-N 3.33Å; H92-K94 PolarHBondContact O-N 3.05Å; K94-K96 PolarHBondContact O-N 3.44Å; K94-Q97 WeakPolarHBondContact O-CB 3.28Å; K94-Q97 PolarHBondContact O-N 2.83Å; K94-W98 HydrophobicContact CD-CH2 4.41Å; K94-W98 HydrophobicContact CD-CZ2 4.34Å; K94-W98 HydrophobicContact CG-CZ2 4.4Å; K94-W98 PolarHBondContact O-N 3.49Å; K94-E144 WeakPolarHBondContact CD-OE2 3.14Å; K94-E144 IonicContact NZ-OE1 3.9Å; K94-E144 PolarHBondContact NZ-OE1 2.94Å; K94-E144 IonicContact NZ-OE2 2.82Å; K94-E144 PolarHBondContact NZ-OE2 3.33Å
95L92.1Very high90.7Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-63.4-39.1177.5-63.6-168.2000112.8Y91 H92 T93 Q97 W98 G99 K197 A200 M207Y91-L95 HydrophobicContact CD1-CD1 4.09Å; Y91-L95 HydrophobicContact CD1-CG 4.25Å; Y91-L95 HydrophobicContact CE1-CD1 3.6Å; Y91-L95 HydrophobicContact CE1-CD2 4.21Å; Y91-L95 HydrophobicContact CE1-CG 3.95Å; Y91-L95 HydrophobicContact CE2-CD2 4.3Å; Y91-L95 WeakPolarHBondContact O-CG 3.1Å; Y91-L95 PolarHBondContact O-N 3.31Å; H92-L95 CarbonylContact O-C 3.58Å; H92-L95 WeakPolarHBondContact O-CB 3.26Å; H92-L95 PolarHBondContact O-N 3.26Å; H92-L95 VanDerWaalsContact O-N 3.11Å; T93-L95 PolarHBondContact O-N 2.77Å; L95-Q97 VanDerWaalsContact C-N 3.32Å; L95-W98 HydrophobicContact CD2-CE3 3.64Å; L95-W98 HydrophobicContact CD2-CZ3 3.8Å; L95-W98 PolarHBondContact O-N 3.37Å; L95-G99 PolarHBondContact O-N 3.37Å; L95-K197 HydrophobicContact CD1-CB 4.14Å; L95-K197 WeakPolarHBondContact CD1-O 3.46Å; L95-A200 HydrophobicContact CB-CB 3.58Å; L95-A200 PolarHBondContact O-N 3.03Å; L95-M207 HydrophobicContact CD1-CG 4.47Å; L95-M207 HydrophobicContact CD1-SD 4.15Å
96K92.1Very high90.4Very high9 Ų929.2 Ų29.24%0.03915%0.145CC..Hα-helixtrans-62-41.5175.4-74.3-174.4-66.6-177.90110.7E18 H92 T93 K94 G99 L100 R119 N120 A200E18-K96 IonicContact OE2-NZ 3.9Å; E18-K96 PolarHBondContact OE2-NZ 3.44Å; H92-K96 WeakPolarHBondContact O-CG 3.22Å; H92-K96 PolarHBondContact O-N 3.24Å; T93-K96 PolarHBondContact O-N 3.11Å; K94-K96 PolarHBondContact O-N 3.44Å; K96-G99 PolarHBondContact O-N 3.24Å; K96-L100 PolarHBondContact O-N 3.31Å; K96-R119 HydrophobicContact CD-CG 4.41Å; K96-N120 PolarHBondContact NZ-OD1 2.99Å; K96-A200 HydrophobicContact CG-CB 4.06Å
97Q92.3Very high89.7Confident21 Ų2134.1 Ų34.110%0.09819%0.186CC..Hα-helixtrans-64-41175.917759.96.100112.2L13 W14 T93 K94 L95 G99 L100 Q101L13-Q97 HydrophobicContact CD2-CG 4.4Å; W14-Q97 WeakPolarHBondContact O-CG 3.44Å; W14-Q97 PolarHBondContact O-OE1 2.93Å; T93-Q97 PolarHBondContact O-N 3.18Å; K94-Q97 WeakPolarHBondContact O-CB 3.28Å; K94-Q97 PolarHBondContact O-N 2.83Å; L95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-G99 VanDerWaalsContact C-N 3.32Å; Q97-G99 PolarHBondContact O-N 3.24Å; Q97-L100 PolarHBondContact O-N 3.45Å; Q97-Q101 WeakPolarHBondContact O-CG 3.5Å; Q97-Q101 PolarHBondContact O-N 2.74Å
98W90.8Very high89.1Confident69 Ų6937.8 Ų37.826%0.26121%0.208SC..Hα-helixtrans-64.6-36.4173.1-70.9-16.1000112.7K94 L95 Q101 A102K94-W98 HydrophobicContact CD-CH2 4.41Å; K94-W98 HydrophobicContact CD-CZ2 4.34Å; K94-W98 HydrophobicContact CG-CZ2 4.4Å; K94-W98 PolarHBondContact O-N 3.49Å; L95-W98 HydrophobicContact CD2-CE3 3.64Å; L95-W98 HydrophobicContact CD2-CZ3 3.8Å; L95-W98 PolarHBondContact O-N 3.37Å; W98-Q101 PolarHBondContact O-N 3.04Å; W98-A102 WeakPolarHBondContact O-CB 3.4Å; W98-A102 PolarHBondContact O-N 3.17Å
99G90.6Very high88.7Confident0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans-65.4-40.8173.700000112.5L95 K96 Q97 A102 L103 A200 F214L95-G99 PolarHBondContact O-N 3.37Å; K96-G99 PolarHBondContact O-N 3.24Å; Q97-G99 VanDerWaalsContact C-N 3.32Å; Q97-G99 PolarHBondContact O-N 3.24Å; G99-A102 PolarHBondContact O-N 3.25Å; G99-L103 WeakPolarHBondContact O-CG 3.49Å; G99-L103 PolarHBondContact O-N 3.44Å; G99-A200 WeakPolarHBondContact CA-O 3.37Å; G99-F214 VanDerWaalsContact O-CE1 3.28Å; G99-F214 WeakPolarHBondContact O-CE1 2.92Å; G99-F214 WeakPolarHBondContact O-CZ 3.5Å
100L90.5Very high88.1Confident53 Ų5340.4 Ų40.428%0.27723%0.234SC..Hα-helixtrans-61.1-45.1174-177.263.8000111.5K96 Q97 L103 Q104 P202K96-L100 PolarHBondContact O-N 3.31Å; Q97-L100 PolarHBondContact O-N 3.45Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 3.19Å; L100-Q104 WeakPolarHBondContact O-CG 3.32Å; L100-Q104 PolarHBondContact O-N 3.33Å; L100-P202 HydrophobicContact CB-CB 4.33Å; L100-P202 HydrophobicContact CB-CG 4.23Å; L100-P202 HydrophobicContact CD1-CG 4.36Å
101Q90.4Very high87.7Confident63 Ų6345.3 Ų45.329%0.29427%0.266SS..Hα-helixtrans-63.3-42175.7-72.4177.31.300112.5N12 Q97 W98 L103 Q104 S105N12-Q101 PolarHBondContact O-NE2 2.9Å; Q97-Q101 WeakPolarHBondContact O-CG 3.5Å; Q97-Q101 PolarHBondContact O-N 2.74Å; W98-Q101 PolarHBondContact O-N 3.04Å; Q101-L103 VanDerWaalsContact C-N 3.3Å; Q101-L103 PolarHBondContact O-N 2.89Å; Q101-Q104 PolarHBondContact O-N 3.46Å; Q101-S105 PolarHBondContact O-N 2.77Å
102A89.1Confident87.5Confident13 Ų1345.6 Ų45.611%0.10727%0.268CS..Hα-helixtrans-61.9-39.5176.100000111.3W98 G99 S105 Q106 F214W98-A102 WeakPolarHBondContact O-CB 3.4Å; W98-A102 PolarHBondContact O-N 3.17Å; G99-A102 PolarHBondContact O-N 3.25Å; A102-S105 PolarHBondContact O-N 3.05Å; A102-S105 PolarHBondContact O-OG 2.73Å; A102-Q106 WeakPolarHBondContact O-CG 3.41Å; A102-F214 HydrophobicContact CB-CD1 4.15Å; A102-F214 HydrophobicContact CB-CE1 3.92Å
103L88.3Confident87.1Confident18 Ų1851.5 Ų51.59%0.09430%0.298CS..Hα-helixtrans-65.4-47.7172.9-80171.4000112.4G99 L100 Q101 S105 Q106 L109 P202 F214 I218G99-L103 WeakPolarHBondContact O-CG 3.49Å; G99-L103 PolarHBondContact O-N 3.44Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 3.19Å; Q101-L103 VanDerWaalsContact C-N 3.3Å; Q101-L103 PolarHBondContact O-N 2.89Å; L103-S105 PolarHBondContact O-N 3.48Å; L103-Q106 CarbonylContact O-C 3.57Å; L103-Q106 WeakPolarHBondContact O-CA 3.38Å; L103-Q106 PolarHBondContact O-N 2.77Å; L103-Q106 VanDerWaalsContact O-O 3.09Å; L103-L109 HydrophobicContact CD2-CB 4.4Å; L103-P202 HydrophobicContact CD1-CG 3.95Å; L103-F214 HydrophobicContact CD1-CZ 3.83Å; L103-F214 HydrophobicContact CD2-CZ 4.34Å; L103-F214 HydrophobicContact CG-CE1 3.94Å; L103-F214 HydrophobicContact CG-CZ 3.71Å; L103-I218 HydrophobicContact CD2-CD1 4.32Å; L103-I218 HydrophobicContact CD2-CG1 3.94Å; L103-I218 HydrophobicContact CD2-CG2 4.13Å
104Q87.7Confident86.7Confident140 Ų14054.9 Ų54.965%0.65432%0.316SS*.Hα-helixtrans-60.7-28.2178.5-73.4173.3-7.900112.7L100 Q101 Q106L100-Q104 WeakPolarHBondContact O-CG 3.32Å; L100-Q104 PolarHBondContact O-N 3.33Å; Q101-Q104 PolarHBondContact O-N 3.46Å; Q104-Q106 PolarHBondContact O-N 3.27Å
105S86.3Confident85.8Confident82 Ų8258.6 Ų58.657%0.57334%0.336SS*.THydrogen-bonded Turntrans-73-9.5174.179.80000114.2Q101 A102 L103Q101-S105 PolarHBondContact O-N 2.77Å; A102-S105 PolarHBondContact O-N 3.05Å; A102-S105 PolarHBondContact O-OG 2.73Å; L103-S105 PolarHBondContact O-N 3.48Å
106Q83.3Confident85Confident57 Ų5763.1 Ų63.127%0.26636%0.356SS..  trans-119.691.6-178.4-59-67-68.600109.2A102 L103 Q104 D108 L109 L215A102-Q106 WeakPolarHBondContact O-CG 3.41Å; L103-Q106 CarbonylContact O-C 3.57Å; L103-Q106 WeakPolarHBondContact O-CA 3.38Å; L103-Q106 PolarHBondContact O-N 2.77Å; L103-Q106 VanDerWaalsContact O-O 3.09Å; Q104-Q106 PolarHBondContact O-N 3.27Å; Q106-D108 PolarHBondContact O-N 3.24Å; Q106-D108 VanDerWaalsContact O-N 3.11Å; Q106-L109 HydrophobicContact CB-CB 4.36Å; Q106-L109 HydrophobicContact CB-CD1 3.89Å; Q106-L109 HydrophobicContact CB-CG 4.12Å; Q106-L109 HydrophobicContact CG-CD1 4.18Å; Q106-L109 PolarHBondContact O-N 3.43Å; Q106-L215 HydrophobicContact CG-CD1 4.47Å; Q106-L215 HydrophobicContact CG-CD2 3.98Å
107A75.9Confident84.2Confident102 Ų10269 Ų6984%0.84338%0.384SS*.THydrogen-bonded Turntrans-62.1-21.8-175.300000114
108D79.6Confident83.4Confident121 Ų12170.8 Ų70.865%0.64740%0.398SS*.THydrogen-bonded Turntrans-91.1-1.5-173.915.8-57.2000113.8Q106Q106-D108 PolarHBondContact O-N 3.24Å; Q106-D108 VanDerWaalsContact O-N 3.11Å
109L80.9Confident83.1Confident29 Ų2969.3 Ų69.315%0.15239%0.393CS..  trans-108.4128.4179.4-63179.3000112L103 Q106 L215 I218 R219L103-L109 HydrophobicContact CD2-CB 4.4Å; Q106-L109 HydrophobicContact CB-CB 4.36Å; Q106-L109 HydrophobicContact CB-CD1 3.89Å; Q106-L109 HydrophobicContact CB-CG 4.12Å; Q106-L109 HydrophobicContact CG-CD1 4.18Å; Q106-L109 PolarHBondContact O-N 3.43Å; L109-L215 HydrophobicContact CD1-CD2 3.73Å; L109-I218 HydrophobicContact CB-CG2 4.29Å; L109-R219 HydrophobicContact CD1-CG 4.47Å; L109-R219 HydrophobicContact CD2-CG 3.66Å
110G80.9Confident82.9Confident46 Ų4669.4 Ų69.447%0.47439%0.393SS..PPolyproline II helixtrans-75.1171.6170.800000113.2I218G110-I218 WeakPolarHBondContact O-CG2 3.4Å
111P83.3Confident82.5Confident103 Ų10370.8 Ų70.867%0.66940%0.404SS*.PPolyproline II helixtrans-65.1160173.629.9-34.9000111.2
112C86.4Confident82.1Confident8 Ų868.6 Ų68.65%0.05439%0.393CS..PPolyproline II helixtrans-62.3137.7171.4175.80000110.1C201 T203 I218 Q221C112-C201 WeakPolarHBondContact CB-SG 3.47Å; C112-C201 VanDerWaalsContact SG-SG 3.69Å; C112-T203 HydrophobicContact CB-CG2 4.39Å; C112-I218 HydrophobicContact CB-CD1 3.66Å; C112-Q221 PolarHBondContact SG-NE2 3.42Å; C112-Q221 VanDerWaalsContact SG-NE2 3.43Å; C112-Q221 PolarHBondContact SG-OE1 3.39Å
113I84.6Confident81.6Confident124 Ų12471.4 Ų71.464%0.63641%0.411SS*.  trans-97.6-3.8-178.270.9-178.6000113Q221I113-Q221 HydrophobicContact CD1-CB 3.84Å; I113-Q221 HydrophobicContact CD1-CG 4.44Å; I113-Q221 WeakPolarHBondContact CD1-O 3.16Å; I113-Q221 HydrophobicContact CG1-CB 3.87Å; I113-Q221 HydrophobicContact CG1-CG 4.16Å
114L82.7Confident81.1Confident82 Ų8278.2 Ų78.243%0.42945%0.447SS..SBendtrans-74.3154.7179-61.9174000110.6C204L114-C204 HydrophobicContact CB-CB 3.84Å
115D74.3Confident80.6Confident90 Ų9073 Ų7348%0.48142%0.423SS..  trans-59.5143.8-173.4-167.16000113.1Q117D115-Q117 PolarHBondContact OD1-N 3.49Å; D115-Q117 WeakPolarHBondContact OD2-CG 2.88Å; D115-Q117 PolarHBondContact OD2-OE1 3.13Å
116F76.2Confident80.1Confident96 Ų9672.8 Ų72.842%0.42142%0.42SS..G310 helixtrans-79.3-19.4179.5-167.9-91.9000112.5S118 R119F116-S118 PolarHBondContact O-N 3.07Å; F116-S118 VanDerWaalsContact O-N 3.16Å; F116-R119 HydrophobicContact CG-CB 4.49Å; F116-R119 VanDerWaalsContact CZ-CD 3.5Å; F116-R119 WeakPolarHBondContact O-CB 3.26Å; F116-R119 PolarHBondContact O-N 3.33Å
117Q73.7Confident79.5Confident133 Ų13375.1 Ų75.162%0.62144%0.435SS*.G310 helixtrans-58.7-29.2-179.5-66.7177.47.200113.3D115D115-Q117 PolarHBondContact OD1-N 3.49Å; D115-Q117 WeakPolarHBondContact OD2-CG 2.88Å; D115-Q117 PolarHBondContact OD2-OE1 3.13Å
118S77Confident79.6Confident58 Ų5875.2 Ų75.241%0.40642%0.417SS..G310 helixtrans-93.77.1178.960.40000114.1F116 N120 V121F116-S118 PolarHBondContact O-N 3.07Å; F116-S118 VanDerWaalsContact O-N 3.16Å; S118-N120 VanDerWaalsContact C-N 3.27Å; S118-N120 PolarHBondContact O-N 3.35Å; S118-V121 PolarHBondContact O-N 3.38Å
119R84.4Confident79.9Confident38 Ų3870.1 Ų70.114%0.14339%0.39CS..THydrogen-bonded Turntrans-62.8-31.1-169.8179.6175.3173.5-123.7-7.9114.4E18 H92 K96 F116 P202 T203 G205E18-R119 IonicContact OE1-CZ 3.1Å; E18-R119 IonicContact OE1-NH1 3.37Å; E18-R119 PolarHBondContact OE1-NH1 3.13Å; E18-R119 IonicContact OE1-NH2 3.82Å; E18-R119 PolarHBondContact OE1-NH2 3.29Å; E18-R119 IonicContact OE2-NH1 2.67Å; E18-R119 IonicContact OE2-NH2 2.76Å; H92-R119 PolarHBondContact CE1-O 3.39Å; K96-R119 HydrophobicContact CD-CG 4.41Å; F116-R119 HydrophobicContact CG-CB 4.49Å; F116-R119 VanDerWaalsContact CZ-CD 3.5Å; F116-R119 WeakPolarHBondContact O-CB 3.26Å; F116-R119 PolarHBondContact O-N 3.33Å; R119-P202 WeakPolarHBondContact CD-O 3.19Å; R119-P202 PolarHBondContact NE-O 3.25Å; R119-T203 WeakPolarHBondContact CB-O 3.38Å; R119-T203 WeakPolarHBondContact CD-O 3.42Å; R119-T203 WeakPolarHBondContact CG-O 3.45Å; R119-G205 WeakPolarHBondContact O-CA 3.48Å
120N85.9Confident80.2Confident1 Ų173.4 Ų73.41%0.00541%0.407CS..THydrogen-bonded Turntrans-112.37.8-177.3-73.5-30.3000112.4E18 Q69 H89 K96 S118 I122E18-N120 PolarHBondContact OE2-ND2 3.31Å; E18-N120 PolarHBondContact OE2-OD1 2.88Å; Q69-N120 WeakPolarHBondContact O-CB 3.37Å; Q69-N120 PolarHBondContact O-ND2 3.1Å; H89-N120 PolarHBondContact CE1-O 3.32Å; K96-N120 PolarHBondContact NZ-OD1 2.99Å; S118-N120 VanDerWaalsContact C-N 3.27Å; S118-N120 PolarHBondContact O-N 3.35Å; N120-I122 PolarHBondContact O-N 3.18Å
121V82.1Confident80.7Confident83 Ų8371.5 Ų71.550%0.50339%0.386SS..  trans-73.2114.1172.1-179.20000108.5S118S118-V121 PolarHBondContact O-N 3.38Å
122I81.5Confident80.9Confident16 Ų1670.7 Ų70.78%0.08238%0.376CS..PPolyproline II helixtrans-102.4147.117861.7179.1000110.1H85 F88 H92 N120 I125H85-I122 WeakPolarHBondContact CE1-CD1 3.23Å; H85-I122 VanDerWaalsContact CE1-CG1 3.42Å; H85-I122 WeakPolarHBondContact CE1-CG1 3.49Å; F88-I122 HydrophobicContact CB-CD1 3.86Å; F88-I122 HydrophobicContact CD1-CB 3.87Å; F88-I122 HydrophobicContact CD1-CD1 3.74Å; F88-I122 HydrophobicContact CD1-CG1 4.41Å; F88-I122 HydrophobicContact CD1-CG2 3.77Å; F88-I122 HydrophobicContact CE1-CB 4.04Å; F88-I122 HydrophobicContact CE1-CG2 4Å; F88-I122 HydrophobicContact CG-CD1 4.07Å; H92-I122 HydrophobicContact CB-CG2 4.42Å; N120-I122 PolarHBondContact O-N 3.18Å; I122-I125 HydrophobicContact CD1-CD1 3.77Å
123P79.3Confident81Confident73 Ų7371.8 Ų71.847%0.47438%0.379SS..PPolyproline II helixtrans-64160.9176.7-17.831.1000111.8I125 M207P123-I125 WeakPolarHBondContact O-CG1 3.3Å; P123-I125 PolarHBondContact O-N 3.04Å; P123-M207 HydrophobicContact CG-CE 3.39Å
124D77.3Confident81.1Confident161 Ų16171.2 Ų71.286%0.86137%0.374SS*.PPolyproline II helixtrans-53.8128.7173.4-57.2-29.1000111
125I77.9Confident81.2Confident29 Ų2976.4 Ų76.415%0.14940%0.395CS..PPolyproline II helixtrans-98.8128.4-174.2-61.6160.7000108.4H85 F88 I122 P123 F129H85-I125 HydrophobicContact CB-CD1 4.26Å; F88-I125 HydrophobicContact CB-CD1 3.45Å; F88-I125 VanDerWaalsContact CB-CD1 3.45Å; F88-I125 HydrophobicContact CB-CG1 4.33Å; F88-I125 HydrophobicContact CD2-CD1 4Å; F88-I125 HydrophobicContact CD2-CG1 3.95Å; F88-I125 HydrophobicContact CG-CD1 3.78Å; F88-I125 HydrophobicContact CG-CG1 4.17Å; I122-I125 HydrophobicContact CD1-CD1 3.77Å; P123-I125 WeakPolarHBondContact O-CG1 3.3Å; P123-I125 PolarHBondContact O-N 3.04Å; I125-F129 HydrophobicContact CG2-CE2 3.79Å; I125-F129 HydrophobicContact CG2-CZ 3.63Å
126P74.8Confident81.8Confident78 Ų7873.1 Ų73.151%0.50638%0.379SS..PPolyproline II helixtrans-58.1150.1174.9-20.530.9000112R84 H128R84-P126 PolarHBondContact NH1-O 3.41Å; P126-H128 VanDerWaalsContact C-N 3.28Å; P126-H128 PolarHBondContact O-N 2.97Å
127D71.6Confident82.2Confident107 Ų10778 Ų7857%0.57240%0.403SS*.SBendtrans-51.6-44.2-177.5-62.4-29.1000113.6R84R84-D127 WeakPolarHBondContact CD-O 3.18Å; R84-D127 PolarHBondContact NE-O 3.42Å; R84-D127 VanDerWaalsContact NE-O 3.14Å; R84-D127 PolarHBondContact NH1-O 3.33Å; R84-D127 VanDerWaalsContact NH1-O 3.16Å; R84-D127 IonicContact NH2-OD1 3.89Å; R84-D127 PolarHBondContact NH2-OD1 2.87Å
128H78.3Confident82.8Confident103 Ų10373.7 Ų73.748%0.47739%0.387SS..  trans-141.5142.7176.7-59.186.4000111P126 L130 D141P126-H128 VanDerWaalsContact C-N 3.28Å; P126-H128 PolarHBondContact O-N 2.97Å; H128-L130 HydrophobicContact CB-CD2 3.99Å; H128-L130 HydrophobicContact CB-CG 4.16Å; H128-L130 PolarHBondContact O-N 3.4Å; H128-D141 IonicContact CD2-OD1 2.71Å
129F84Confident83.3Confident15 Ų1573.8 Ų73.87%0.06639%0.388CS..EExtended strand (participates in β ladder)trans-85.491.7171-64.5-85.9000110I125 F140 P143 F146I125-F129 HydrophobicContact CG2-CE2 3.79Å; I125-F129 HydrophobicContact CG2-CZ 3.63Å; F129-F140 HydrophobicContact CB-CB 4.37Å; F129-F140 WeakPolarHBondContact CB-O 3.45Å; F129-F140 WeakPolarHBondContact CD2-O 3.19Å; F129-F140 PolarHBondContact N-O 2.99Å; F129-F140 PolarHBondContact O-N 3.09Å; F129-F140 VanDerWaalsContact O-N 3.16Å; F129-P143 HydrophobicContact CE1-CB 4.37Å; F129-P143 HydrophobicContact CE1-CG 4.48Å; F129-P143 HydrophobicContact CE2-CB 4.24Å; F129-P143 HydrophobicContact CE2-CG 3.66Å; F129-P143 HydrophobicContact CZ-CB 3.98Å; F129-P143 HydrophobicContact CZ-CG 3.63Å; F129-F146 HydrophobicContact CB-CB 3.75Å; F129-F146 HydrophobicContact CB-CD1 3.87Å; F129-F146 HydrophobicContact CB-CD2 3.72Å; F129-F146 HydrophobicContact CB-CE1 4.36Å; F129-F146 HydrophobicContact CB-CE2 4.23Å; F129-F146 HydrophobicContact CB-CG 3.5Å; F129-F146 AromaticContact CD1-CD1 3.79Å; F129-F146 HydrophobicContact CD1-CD1 3.79Å; F129-F146 HydrophobicContact CD1-CE1 4.14Å; F129-F146 HydrophobicContact CD1-CG 4.28Å; F129-F146 HydrophobicContact CG-CB 4.26Å; F129-F146 HydrophobicContact CG-CD1 4.15Å; F129-F146 HydrophobicContact CG-CG 4.17Å
130L88.3Confident83.4Confident97 Ų9774.1 Ų74.151%0.50839%0.391SS..EExtended strand (participates in β ladder)trans-88.9128.8-178.1-59.3178.3000111.7H128 L132 F146H128-L130 HydrophobicContact CB-CD2 3.99Å; H128-L130 HydrophobicContact CB-CG 4.16Å; H128-L130 PolarHBondContact O-N 3.4Å; L130-L132 PolarHBondContact O-N 3.07Å; L130-F146 WeakPolarHBondContact O-CE2 3.24Å
131C90.5Very high83.1Confident7 Ų777.9 Ų77.95%0.04741%0.411CS..  trans-80.5116.7171.1-169.30000109.8W133 C136 S138 F146 H149C131-W133 VanDerWaalsContact C-N 3.27Å; C131-W133 PolarHBondContact O-N 3.2Å; C131-W133 VanDerWaalsContact SG-CB 3.57Å; C131-C136 VanDerWaalsContact SG-SG 3.7Å; C131-S138 PolarHBondContact N-O 2.94Å; C131-S138 VanDerWaalsContact N-O 3.08Å; C131-F146 HydrophobicContact CB-CE2 4.35Å; C131-H149 PolarHBondContact SG-NE2 3.04Å
132L89.3Confident83.1Confident86 Ų8674.4 Ų74.445%0.4539%0.39SS..  trans-96.726.6176.8-53.9176.3000112.1L130 W173 K174L130-L132 PolarHBondContact O-N 3.07Å; L132-W173 HydrophobicContact CB-CD2 4.33Å; L132-W173 HydrophobicContact CB-CH2 4.38Å; L132-W173 HydrophobicContact CB-CZ2 3.69Å; L132-W173 HydrophobicContact CD1-CZ2 4.14Å; L132-W173 HydrophobicContact CG-CZ2 4.04Å; L132-K174 HydrophobicContact CB-CB 4.44Å; L132-K174 WeakPolarHBondContact O-CB 3.42Å; L132-K174 PolarHBondContact O-N 2.89Å
133W88.4Confident83.3Confident30 Ų3073.7 Ų73.711%0.11439%0.386CS..BIsolated β-bridgetrans-71.3139.5171.4-163.7-78.2000109.6C131 H135 C136 H153 C157 G172 W173 L186 L190C131-W133 VanDerWaalsContact C-N 3.27Å; C131-W133 PolarHBondContact O-N 3.2Å; C131-W133 VanDerWaalsContact SG-CB 3.57Å; W133-H135 PolarHBondContact O-N 3.5Å; W133-C136 HydrophobicContact CB-CB 3.77Å; W133-C136 WeakPolarHBondContact O-CB 3.38Å; W133-C136 PolarHBondContact O-N 3.39Å; W133-H153 AromaticContact CD1-CE1 3.89Å; W133-H153 AromaticContact CD1-ND1 3.8Å; W133-H153 HydrophobicContact CD2-CB 3.66Å; W133-H153 AromaticContact CD2-CD2 3.91Å; W133-H153 AromaticContact CD2-CG 3.56Å; W133-H153 AromaticContact CD2-ND1 3.95Å; W133-H153 AromaticContact CE2-CG 3.96Å; W133-H153 HydrophobicContact CE3-CB 3.51Å; W133-H153 AromaticContact CE3-CG 3.79Å; W133-H153 HydrophobicContact CG-CB 4.41Å; W133-H153 AromaticContact CG-CD2 3.85Å; W133-H153 AromaticContact CG-CE1 3.88Å; W133-H153 AromaticContact CG-CG 3.8Å; W133-H153 AromaticContact CG-ND1 3.85Å; W133-H153 AromaticContact CG-NE2 3.91Å; W133-H153 HydrophobicContact CH2-CB 3.83Å; W133-H153 HydrophobicContact CZ2-CB 3.97Å; W133-H153 HydrophobicContact CZ3-CB 3.57Å; W133-H153 AromaticContact NE1-ND1 3.93Å; W133-C157 VanDerWaalsContact CH2-SG 3.51Å; W133-C157 WeakPolarHBondContact CZ2-SG 3.41Å; W133-G172 CarbonylContact C-O 3.44Å; W133-G172 WeakPolarHBondContact CA-O 3.42Å; W133-W173 HydrophobicContact CE3-CE3 4.32Å; W133-L186 HydrophobicContact CH2-CD2 4.46Å; W133-L190 HydrophobicContact CE3-CD2 4.42Å; W133-L190 HydrophobicContact CH2-CD2 4.49Å; W133-L190 HydrophobicContact CZ3-CD1 3.85Å; W133-L190 HydrophobicContact CZ3-CD2 3.62Å; W133-L190 HydrophobicContact CZ3-CG 4.39Å
134E86.4Confident83.6Confident113 Ų11370.7 Ų70.753%0.52837%0.366SS..THydrogen-bonded Turntrans-56.6126.6-179.6-74.4-174.7172.800110.9C136 G172E134-C136 PolarHBondContact O-N 3.46Å; E134-G172 WeakPolarHBondContact CG-O 3.33Å; E134-G172 PolarHBondContact N-O 3.23Å
135H83.8Confident84.1Confident191 Ų19167.1 Ų67.188%0.88434%0.34SS*.THydrogen-bonded Turntrans64.323-176.9-41.486.8000114.3W133W133-H135 PolarHBondContact O-N 3.5Å
136C88.1Confident84.7Confident20 Ų2066.2 Ų66.214%0.13534%0.335CS..  trans-112.9120170.8-170.30000110.8C131 W133 E134 H149C131-C136 VanDerWaalsContact SG-SG 3.7Å; W133-C136 HydrophobicContact CB-CB 3.77Å; W133-C136 WeakPolarHBondContact O-CB 3.38Å; W133-C136 PolarHBondContact O-N 3.39Å; E134-C136 PolarHBondContact O-N 3.46Å; C136-H149 PolarHBondContact SG-CE1 2.83Å; C136-H149 PolarHBondContact SG-NE2 3.41Å
137E84.1Confident85.3Confident198 Ų19863.7 Ų63.793%0.92532%0.316SS*.  trans-108.124.1-179.9-62.4-18017600112
138S86.8Confident86.1Confident43 Ų4364.5 Ų64.530%0.30131%0.311SS..  trans-78.5129.3-176.9-57.60000112C131 H149C131-S138 PolarHBondContact N-O 2.94Å; C131-S138 VanDerWaalsContact N-O 3.08Å; S138-H149 PolarHBondContact OG-CE1 3Å
139S87.4Confident86.7Confident61 Ų6161.4 Ų61.443%0.42730%0.296SS..EExtended strand (participates in β ladder)trans-115.6145.4171.2177.40000109.5
140F85.3Confident86.9Confident44 Ų4460.9 Ų60.919%0.19329%0.294CS..EExtended strand (participates in β ladder)trans-139.5142179.3-56.5-92.9000111.1F129 W145 F146 H149F129-F140 HydrophobicContact CB-CB 4.37Å; F129-F140 WeakPolarHBondContact CB-O 3.45Å; F129-F140 WeakPolarHBondContact CD2-O 3.19Å; F129-F140 PolarHBondContact N-O 2.99Å; F129-F140 PolarHBondContact O-N 3.09Å; F129-F140 VanDerWaalsContact O-N 3.16Å; F140-W145 HydrophobicContact CD1-CB 3.93Å; F140-W145 HydrophobicContact CE1-CB 4.37Å; F140-F146 HydrophobicContact CB-CB 4.02Å; F140-F146 HydrophobicContact CD2-CB 4.04Å; F140-F146 AromaticContact CD2-CD2 3.82Å; F140-F146 HydrophobicContact CD2-CD2 3.82Å; F140-F146 HydrophobicContact CD2-CG 4.44Å; F140-F146 HydrophobicContact CE2-CD2 4.35Å; F140-F146 HydrophobicContact CG-CB 4.13Å; F140-H149 HydrophobicContact CE1-CB 4.29Å; F140-H149 HydrophobicContact CE2-CB 3.82Å; F140-H149 AromaticContact CE2-CD2 3.73Å; F140-H149 AromaticContact CE2-CG 3.61Å; F140-H149 HydrophobicContact CZ-CB 3.5Å; F140-H149 AromaticContact CZ-CG 3.45Å; F140-H149 VanDerWaalsContact CZ-CG 3.45Å; F140-H149 AromaticContact CZ-ND1 3.67Å
141D81.1Confident86.9Confident81 Ų8158.7 Ų58.743%0.43328%0.282SS..SBendtrans-90-15.5169.9-54.4-44.5000111.9R84 H128R84-D141 HydrophobicContact CG-CB 3.96Å; H128-D141 IonicContact CD2-OD1 2.71Å
142N81.8Confident86.8Confident10 Ų1060.3 Ų60.35%0.05330%0.295CS..  trans-107.5119.9-177.3-171.8-34.9000111.1F33 Y87 E144 W145 F146F33-N142 WeakPolarHBondContact CE1-ND2 3.21Å; F33-N142 WeakPolarHBondContact CZ-ND2 3.37Å; Y87-N142 HydrophobicContact CD2-CB 4.29Å; N142-E144 VanDerWaalsContact C-N 3.33Å; N142-E144 PolarHBondContact O-N 3.11Å; N142-E144 WeakPolarHBondContact OD1-CB 3.39Å; N142-E144 PolarHBondContact OD1-N 3.36Å; N142-W145 HydrophobicContact CB-CB 4.28Å; N142-W145 VanDerWaalsContact CB-CD1 3.42Å; N142-W145 HydrophobicContact CB-CG 4.11Å; N142-W145 VanDerWaalsContact CG-CD1 3.42Å; N142-W145 VanDerWaalsContact ND2-CD1 3.34Å; N142-W145 PolarHBondContact ND2-NE1 3.48Å; N142-W145 PolarHBondContact O-N 3.23Å; N142-F146 PolarHBondContact O-N 3.17Å; N142-F146 VanDerWaalsContact O-N 3.08Å
143P85.6Confident86.7Confident0 Ų057.9 Ų57.90%028%0.282CS..Hα-helixtrans-58.3-40.2178.6-18.825.7000113.6F88 Y91 F129 W145 F146 Y147F88-P143 HydrophobicContact CB-CG 4.14Å; F88-P143 HydrophobicContact CD2-CB 4.22Å; F88-P143 HydrophobicContact CD2-CG 3.5Å; F88-P143 HydrophobicContact CE2-CG 4.28Å; F88-P143 HydrophobicContact CG-CG 4.18Å; Y91-P143 HydrophobicContact CD1-CB 4.33Å; Y91-P143 HydrophobicContact CG-CB 4.29Å; F129-P143 HydrophobicContact CE1-CB 4.37Å; F129-P143 HydrophobicContact CE1-CG 4.48Å; F129-P143 HydrophobicContact CE2-CB 4.24Å; F129-P143 HydrophobicContact CE2-CG 3.66Å; F129-P143 HydrophobicContact CZ-CB 3.98Å; F129-P143 HydrophobicContact CZ-CG 3.63Å; P143-W145 VanDerWaalsContact C-N 3.34Å; P143-W145 PolarHBondContact O-N 2.65Å; P143-F146 WeakPolarHBondContact O-CB 3.26Å; P143-F146 PolarHBondContact O-N 3.45Å; P143-Y147 HydrophobicContact CB-CD2 4.28Å; P143-Y147 HydrophobicContact CB-CE2 3.83Å; P143-Y147 WeakPolarHBondContact O-CD2 3.44Å; P143-Y147 PolarHBondContact O-N 3.18Å
144E85.6Confident86.5Confident11 Ų1156.6 Ų56.65%0.05128%0.277CS..Hα-helixtrans-62.4-43.1-178.517463.6-165.800111.3F33 Y91 K94 N142 R148F33-E144 HydrophobicContact CE2-CB 4.15Å; F33-E144 HydrophobicContact CE2-CG 4.17Å; F33-E144 HydrophobicContact CZ-CB 4.01Å; Y91-E144 HydrophobicContact CD2-CB 4Å; Y91-E144 VanDerWaalsContact CD2-OE2 3.25Å; Y91-E144 WeakPolarHBondContact CD2-OE2 3.43Å; Y91-E144 WeakPolarHBondContact CE2-OE2 3.42Å; K94-E144 WeakPolarHBondContact CD-OE2 3.14Å; K94-E144 IonicContact NZ-OE1 3.9Å; K94-E144 PolarHBondContact NZ-OE1 2.94Å; K94-E144 IonicContact NZ-OE2 2.82Å; K94-E144 PolarHBondContact NZ-OE2 3.33Å; N142-E144 VanDerWaalsContact C-N 3.33Å; N142-E144 PolarHBondContact O-N 3.11Å; N142-E144 WeakPolarHBondContact OD1-CB 3.39Å; N142-E144 PolarHBondContact OD1-N 3.36Å; E144-R148 WeakPolarHBondContact O-CB 3.41Å; E144-R148 VanDerWaalsContact O-CG 3.28Å; E144-R148 WeakPolarHBondContact O-CG 3.44Å; E144-R148 PolarHBondContact O-N 2.88Å; E144-R148 WeakPolarHBondContact OE1-CD 3.49Å
145W86.9Confident86.4Confident86 Ų8656.2 Ų56.233%0.32628%0.278SS..Hα-helixtrans-69.7-39.9178.8-60.5138.2000111.6E30 F33 F140 N142 P143 R148 H149E30-W145 HydrophobicContact CG-CH2 4.02Å; E30-W145 HydrophobicContact CG-CZ2 4.44Å; F33-W145 HydrophobicContact CD2-CZ2 4.49Å; F140-W145 HydrophobicContact CD1-CB 3.93Å; F140-W145 HydrophobicContact CE1-CB 4.37Å; N142-W145 HydrophobicContact CB-CB 4.28Å; N142-W145 VanDerWaalsContact CB-CD1 3.42Å; N142-W145 HydrophobicContact CB-CG 4.11Å; N142-W145 VanDerWaalsContact CG-CD1 3.42Å; N142-W145 VanDerWaalsContact ND2-CD1 3.34Å; N142-W145 PolarHBondContact ND2-NE1 3.48Å; N142-W145 PolarHBondContact O-N 3.23Å; P143-W145 VanDerWaalsContact C-N 3.34Å; P143-W145 PolarHBondContact O-N 2.65Å; W145-R148 PolarHBondContact O-N 3.22Å; W145-H149 VanDerWaalsContact O-CB 3.28Å; W145-H149 WeakPolarHBondContact O-CB 3.34Å; W145-H149 PolarHBondContact O-N 3.43Å
146F89.9Confident86.3Confident10 Ų1052 Ų524%0.04427%0.269CS..Hα-helixtrans-57.8-52.8173.4172.9-114.3000112.2F129 L130 C131 F140 N142 P143 R148 H149 V150 T194F129-F146 HydrophobicContact CB-CB 3.75Å; F129-F146 HydrophobicContact CB-CD1 3.87Å; F129-F146 HydrophobicContact CB-CD2 3.72Å; F129-F146 HydrophobicContact CB-CE1 4.36Å; F129-F146 HydrophobicContact CB-CE2 4.23Å; F129-F146 HydrophobicContact CB-CG 3.5Å; F129-F146 AromaticContact CD1-CD1 3.79Å; F129-F146 HydrophobicContact CD1-CD1 3.79Å; F129-F146 HydrophobicContact CD1-CE1 4.14Å; F129-F146 HydrophobicContact CD1-CG 4.28Å; F129-F146 HydrophobicContact CG-CB 4.26Å; F129-F146 HydrophobicContact CG-CD1 4.15Å; F129-F146 HydrophobicContact CG-CG 4.17Å; L130-F146 WeakPolarHBondContact O-CE2 3.24Å; C131-F146 HydrophobicContact CB-CE2 4.35Å; F140-F146 HydrophobicContact CB-CB 4.02Å; F140-F146 HydrophobicContact CD2-CB 4.04Å; F140-F146 AromaticContact CD2-CD2 3.82Å; F140-F146 HydrophobicContact CD2-CD2 3.82Å; F140-F146 HydrophobicContact CD2-CG 4.44Å; F140-F146 HydrophobicContact CE2-CD2 4.35Å; F140-F146 HydrophobicContact CG-CB 4.13Å; N142-F146 PolarHBondContact O-N 3.17Å; N142-F146 VanDerWaalsContact O-N 3.08Å; P143-F146 WeakPolarHBondContact O-CB 3.26Å; P143-F146 PolarHBondContact O-N 3.45Å; F146-R148 VanDerWaalsContact C-N 3.34Å; F146-R148 PolarHBondContact O-N 2.99Å; F146-H149 WeakPolarHBondContact O-CB 3.38Å; F146-H149 PolarHBondContact O-N 2.91Å; F146-H149 VanDerWaalsContact O-N 3.14Å; F146-V150 HydrophobicContact CD2-CG2 4.14Å; F146-V150 HydrophobicContact CE1-CG2 4.35Å; F146-V150 HydrophobicContact CE2-CG2 3.73Å; F146-V150 HydrophobicContact CZ-CG2 3.86Å; F146-V150 WeakPolarHBondContact O-CG2 3.49Å; F146-V150 PolarHBondContact O-N 3.01Å; F146-T194 HydrophobicContact CE1-CG2 3.86Å; F146-T194 HydrophobicContact CZ-CG2 3.95Å
147Y88.8Confident86Confident24 Ų2452 Ų529%0.09427%0.269CS..Hα-helixtrans-65.1-38.4-178.4-63.9-54.5000112Y91 P143 H149 V150 E151 E196Y91-Y147 HydrophobicContact CD1-CE2 4.45Å; Y91-Y147 HydrophobicContact CE1-CD2 4.16Å; Y91-Y147 AromaticContact CE1-CE2 3.73Å; Y91-Y147 HydrophobicContact CE1-CE2 3.73Å; Y91-Y147 AromaticContact CE2-CD2 3.85Å; Y91-Y147 HydrophobicContact CE2-CD2 3.85Å; Y91-Y147 HydrophobicContact CE2-CE2 4.27Å; Y91-Y147 AromaticContact CZ-CD2 3.56Å; Y91-Y147 AromaticContact CZ-CE2 3.61Å; Y91-Y147 WeakPolarHBondContact OH-CD2 3.46Å; P143-Y147 HydrophobicContact CB-CD2 4.28Å; P143-Y147 HydrophobicContact CB-CE2 3.83Å; P143-Y147 WeakPolarHBondContact O-CD2 3.44Å; P143-Y147 PolarHBondContact O-N 3.18Å; Y147-H149 VanDerWaalsContact C-N 3.34Å; Y147-H149 PolarHBondContact O-N 2.91Å; Y147-V150 PolarHBondContact O-N 3.45Å; Y147-E151 WeakPolarHBondContact O-CB 3.34Å; Y147-E151 PolarHBondContact O-N 2.98Å; Y147-E196 HydrophobicContact CD1-CB 3.81Å; Y147-E196 HydrophobicContact CD1-CG 3.67Å; Y147-E196 HydrophobicContact CD2-CG 4.11Å; Y147-E196 HydrophobicContact CE1-CB 3.56Å; Y147-E196 HydrophobicContact CE1-CG 3.73Å; Y147-E196 HydrophobicContact CE2-CG 4.19Å; Y147-E196 HydrophobicContact CG-CG 3.88Å
148R87.5Confident85.7Confident124 Ų12450.4 Ų50.447%0.46826%0.262SS..Hα-helixtrans-62.5-39.7172.7-76.8-177.962.6173.3-3.7112.4E144 W145 F146 E151 A152E144-R148 WeakPolarHBondContact O-CB 3.41Å; E144-R148 VanDerWaalsContact O-CG 3.28Å; E144-R148 WeakPolarHBondContact O-CG 3.44Å; E144-R148 PolarHBondContact O-N 2.88Å; E144-R148 WeakPolarHBondContact OE1-CD 3.49Å; W145-R148 PolarHBondContact O-N 3.22Å; F146-R148 VanDerWaalsContact C-N 3.34Å; F146-R148 PolarHBondContact O-N 2.99Å; R148-E151 PolarHBondContact O-N 3.29Å; R148-A152 PolarHBondContact O-N 3.47Å
149H90.2Very high85.3Confident38 Ų3853 Ų5318%0.17627%0.266CS..Hα-helixtrans-64-47.9175.6168.188.4000111.5C131 C136 S138 F140 W145 F146 Y147 E151 A152 H153C131-H149 PolarHBondContact SG-NE2 3.04Å; C136-H149 PolarHBondContact SG-CE1 2.83Å; C136-H149 PolarHBondContact SG-NE2 3.41Å; S138-H149 PolarHBondContact OG-CE1 3Å; F140-H149 HydrophobicContact CE1-CB 4.29Å; F140-H149 HydrophobicContact CE2-CB 3.82Å; F140-H149 AromaticContact CE2-CD2 3.73Å; F140-H149 AromaticContact CE2-CG 3.61Å; F140-H149 HydrophobicContact CZ-CB 3.5Å; F140-H149 AromaticContact CZ-CG 3.45Å; F140-H149 VanDerWaalsContact CZ-CG 3.45Å; F140-H149 AromaticContact CZ-ND1 3.67Å; W145-H149 VanDerWaalsContact O-CB 3.28Å; W145-H149 WeakPolarHBondContact O-CB 3.34Å; W145-H149 PolarHBondContact O-N 3.43Å; F146-H149 WeakPolarHBondContact O-CB 3.38Å; F146-H149 PolarHBondContact O-N 2.91Å; F146-H149 VanDerWaalsContact O-N 3.14Å; Y147-H149 VanDerWaalsContact C-N 3.34Å; Y147-H149 PolarHBondContact O-N 2.91Å; H149-E151 VanDerWaalsContact C-N 3.27Å; H149-E151 PolarHBondContact O-N 3.31Å; H149-A152 VanDerWaalsContact O-CB 3.28Å; H149-A152 WeakPolarHBondContact O-CB 3.38Å; H149-A152 PolarHBondContact O-N 3.46Å; H149-H153 AromaticContact CD2-NE2 3.87Å; H149-H153 AromaticContact CE1-NE2 3.5Å; H149-H153 AromaticContact NE2-CD2 3.69Å; H149-H153 AromaticContact NE2-NE2 3.03Å; H149-H153 PolarHBondContact NE2-NE2 3.39Å; H149-H153 PolarHBondContact O-N 2.95Å
150V88.8Confident84.8Confident4 Ų455.1 Ų55.12%0.02427%0.269CS..Hα-helixtrans-61-38.9177174.70000111.1F146 Y147 A152 H153 W173 L190 T194F146-V150 HydrophobicContact CD2-CG2 4.14Å; F146-V150 HydrophobicContact CE1-CG2 4.35Å; F146-V150 HydrophobicContact CE2-CG2 3.73Å; F146-V150 HydrophobicContact CZ-CG2 3.86Å; F146-V150 WeakPolarHBondContact O-CG2 3.49Å; F146-V150 PolarHBondContact O-N 3.01Å; Y147-V150 PolarHBondContact O-N 3.45Å; V150-A152 VanDerWaalsContact C-N 3.31Å; V150-A152 PolarHBondContact O-N 3.48Å; V150-H153 WeakPolarHBondContact O-CB 3.34Å; V150-H153 PolarHBondContact O-N 2.89Å; V150-W173 HydrophobicContact CG1-CZ3 4.14Å; V150-W173 HydrophobicContact CG2-CZ3 4.26Å; V150-L190 HydrophobicContact CG1-CB 4.03Å; V150-L190 HydrophobicContact CG1-CD1 3.91Å; V150-L190 HydrophobicContact CG1-CG 4.46Å; V150-L190 WeakPolarHBondContact O-CD1 3.42Å; V150-T194 HydrophobicContact CB-CG2 4.42Å; V150-T194 HydrophobicContact CG1-CG2 3.93Å; V150-T194 HydrophobicContact CG2-CG2 4.1Å
151E88Confident84Confident51 Ų5157.4 Ų57.424%0.23830%0.295CS..Hα-helixtrans-62.7-37.3173.5-176.5178.3162.300112.5Y147 R148 H149 H153 S154 L155 R187Y147-E151 WeakPolarHBondContact O-CB 3.34Å; Y147-E151 PolarHBondContact O-N 2.98Å; R148-E151 PolarHBondContact O-N 3.29Å; H149-E151 VanDerWaalsContact C-N 3.27Å; H149-E151 PolarHBondContact O-N 3.31Å; E151-H153 VanDerWaalsContact C-N 3.25Å; E151-H153 PolarHBondContact O-N 3.19Å; E151-S154 WeakPolarHBondContact O-CB 3.32Å; E151-S154 PolarHBondContact O-N 3.49Å; E151-S154 PolarHBondContact O-OG 2.8Å; E151-L155 PolarHBondContact O-N 3.16Å; E151-R187 VanDerWaalsContact CD-NE 3.3Å; E151-R187 HydrophobicContact CG-CG 4.32Å; E151-R187 IonicContact OE1-CZ 3.75Å; E151-R187 IonicContact OE1-NE 3.11Å; E151-R187 PolarHBondContact OE1-NE 3.2Å; E151-R187 IonicContact OE1-NH1 3.99Å; E151-R187 PolarHBondContact OE1-NH1 3.11Å; E151-R187 IonicContact OE1-NH2 3.08Å; E151-R187 PolarHBondContact OE1-NH2 3.29Å; E151-R187 IonicContact OE2-CZ 3.9Å; E151-R187 IonicContact OE2-NE 2.74Å; E151-R187 PolarHBondContact OE2-NE 3.29Å; E151-R187 IonicContact OE2-NH1 3.13Å; E151-R187 IonicContact OE2-NH2 3.32Å; E151-R187 PolarHBondContact OE2-NH2 3.37Å
152A88.1Confident82.8Confident41 Ų4158.1 Ų58.134%0.33930%0.303SS..Hα-helixtrans-59.8-36178.700000112.1R148 H149 V150 S154 L155 C156R148-A152 PolarHBondContact O-N 3.47Å; H149-A152 VanDerWaalsContact O-CB 3.28Å; H149-A152 WeakPolarHBondContact O-CB 3.38Å; H149-A152 PolarHBondContact O-N 3.46Å; V150-A152 VanDerWaalsContact C-N 3.31Å; V150-A152 PolarHBondContact O-N 3.48Å; A152-S154 VanDerWaalsContact C-N 3.31Å; A152-S154 PolarHBondContact O-N 2.57Å; A152-L155 WeakPolarHBondContact O-CB 3.48Å; A152-L155 PolarHBondContact O-N 2.85Å; A152-C156 PolarHBondContact O-N 3.45Å; A152-C156 PolarHBondContact O-SG 2.85Å; A152-C156 VanDerWaalsContact O-SG 3.36Å
153H87.6Confident81.9Confident36 Ų3660.8 Ų60.817%0.16733%0.333CS..Hα-helixtrans-57.3-44.2172.8-73.2-58.9000111.8W133 H149 V150 E151 L155 C156 C157W133-H153 AromaticContact CD1-CE1 3.89Å; W133-H153 AromaticContact CD1-ND1 3.8Å; W133-H153 HydrophobicContact CD2-CB 3.66Å; W133-H153 AromaticContact CD2-CD2 3.91Å; W133-H153 AromaticContact CD2-CG 3.56Å; W133-H153 AromaticContact CD2-ND1 3.95Å; W133-H153 AromaticContact CE2-CG 3.96Å; W133-H153 HydrophobicContact CE3-CB 3.51Å; W133-H153 AromaticContact CE3-CG 3.79Å; W133-H153 HydrophobicContact CG-CB 4.41Å; W133-H153 AromaticContact CG-CD2 3.85Å; W133-H153 AromaticContact CG-CE1 3.88Å; W133-H153 AromaticContact CG-CG 3.8Å; W133-H153 AromaticContact CG-ND1 3.85Å; W133-H153 AromaticContact CG-NE2 3.91Å; W133-H153 HydrophobicContact CH2-CB 3.83Å; W133-H153 HydrophobicContact CZ2-CB 3.97Å; W133-H153 HydrophobicContact CZ3-CB 3.57Å; W133-H153 AromaticContact NE1-ND1 3.93Å; H149-H153 AromaticContact CD2-NE2 3.87Å; H149-H153 AromaticContact CE1-NE2 3.5Å; H149-H153 AromaticContact NE2-CD2 3.69Å; H149-H153 AromaticContact NE2-NE2 3.03Å; H149-H153 PolarHBondContact NE2-NE2 3.39Å; H149-H153 PolarHBondContact O-N 2.95Å; V150-H153 WeakPolarHBondContact O-CB 3.34Å; V150-H153 PolarHBondContact O-N 2.89Å; E151-H153 VanDerWaalsContact C-N 3.25Å; E151-H153 PolarHBondContact O-N 3.19Å; H153-L155 PolarHBondContact O-N 3.17Å; H153-C156 PolarHBondContact O-N 2.92Å; H153-C157 PolarHBondContact O-N 2.84Å; H153-C157 PolarHBondContact O-SG 3.36Å
154S85Confident80.6Confident2 Ų270.7 Ų70.71%0.01438%0.376CS..Hα-helixtrans-62.7-26.5177.577.80000113.9E151 A152 R183E151-S154 WeakPolarHBondContact O-CB 3.32Å; E151-S154 PolarHBondContact O-N 3.49Å; E151-S154 PolarHBondContact O-OG 2.8Å; A152-S154 VanDerWaalsContact C-N 3.31Å; A152-S154 PolarHBondContact O-N 2.57Å; S154-R183 WeakPolarHBondContact O-CD 3.2Å; S154-R183 WeakPolarHBondContact O-CG 3.11Å
155L83Confident79.6Confident106 Ų10677 Ų7756%0.55541%0.41SS*.Hα-helixtrans-82.6-35.5178-64.8173.4000112E151 A152 H153E151-L155 PolarHBondContact O-N 3.16Å; A152-L155 WeakPolarHBondContact O-CB 3.48Å; A152-L155 PolarHBondContact O-N 2.85Å; H153-L155 PolarHBondContact O-N 3.17Å
156C82.7Confident78.8Confident102 Ų10279 Ų7969%0.68943%0.427SS*.Hα-helixtrans-83.2-18.4-179.9-64.50000113.4A152 H153 E158A152-C156 PolarHBondContact O-N 3.45Å; A152-C156 PolarHBondContact O-SG 2.85Å; A152-C156 VanDerWaalsContact O-SG 3.36Å; H153-C156 PolarHBondContact O-N 2.92Å; C156-E158 PolarHBondContact O-N 3.3Å
157C80.8Confident78.2Confident20 Ų2082 Ų8214%0.13545%0.448CS..PPolyproline II helixtrans-56.6129.9178-75.70000112W133 H153 V169 R183 L186W133-C157 VanDerWaalsContact CH2-SG 3.51Å; W133-C157 WeakPolarHBondContact CZ2-SG 3.41Å; H153-C157 PolarHBondContact O-N 2.84Å; H153-C157 PolarHBondContact O-SG 3.36Å; C157-V169 HydrophobicContact CB-CG1 3.44Å; C157-V169 VanDerWaalsContact CB-CG1 3.44Å; C157-R183 PolarHBondContact O-NE 3.15Å; C157-R183 VanDerWaalsContact O-NE 3.15Å; C157-R183 PolarHBondContact O-NH2 3.42Å; C157-L186 HydrophobicContact CB-CD2 4.24Å
158E78.2Confident78.1Confident165 Ų16582.3 Ų82.377%0.77145%0.452SS*.PPolyproline II helixtrans-76.4154.9173.6-61.9-168.5172.700110.8C156C156-E158 PolarHBondContact O-N 3.3Å
159Y79.7Confident78.1Confident98 Ų9876.4 Ų76.438%0.38443%0.429SS..PPolyproline II helixtrans-86.6125172.6-83-85.6000108.7P167 V168 V169 R183Y159-P167 HydrophobicContact CD1-CB 3.77Å; Y159-P167 HydrophobicContact CD1-CG 4.23Å; Y159-P167 HydrophobicContact CG-CB 4.14Å; Y159-V168 CarbonylContact C-O 3.52Å; Y159-V168 WeakPolarHBondContact CA-O 3.25Å; Y159-V169 HydrophobicContact CD1-CG2 3.5Å; Y159-V169 HydrophobicContact CD2-CG2 4.5Å; Y159-V169 HydrophobicContact CE1-CG2 3.33Å; Y159-V169 HydrophobicContact CE2-CG2 4.35Å; Y159-V169 HydrophobicContact CG-CG2 4.11Å; Y159-R183 HydrophobicContact CE2-CG 4.41Å
160E76Confident77.9Confident105 Ų10577.6 Ų77.649%0.49144%0.437SS..EExtended strand (participates in β ladder)trans-90.3134.4171.6-68.6-166.6-172.900110.7V162 P167 V168 L170E160-V162 PolarHBondContact O-N 3.29Å; E160-P167 WeakPolarHBondContact O-CA 3.41Å; E160-V168 PolarHBondContact N-O 3.5Å; E160-V168 PolarHBondContact O-N 2.89Å; E160-L170 HydrophobicContact CB-CD1 3.7Å; E160-L170 HydrophobicContact CG-CD1 3.48Å; E160-L170 VanDerWaalsContact CG-CD1 3.48Å; E160-L170 WeakPolarHBondContact OE2-CD1 2.95Å
161A67.9Low77.9Confident91 Ų9177.9 Ų77.975%0.75244%0.439SS*.EExtended strand (participates in β ladder)trans-85.198175.300000109.7G163A161-G163 PolarHBondContact O-N 3.5Å
162V57.5Low77.9Confident96 Ų9676 Ų7658%0.58243%0.433SS*.  trans-90.990.9172.2-1770000108.7E160 V168E160-V162 PolarHBondContact O-N 3.29Å; V162-V168 HydrophobicContact CB-CG2 4.35Å; V162-V168 HydrophobicContact CG2-CG2 3.59Å
163G63Low78Confident67 Ų6775 Ų7569%0.69142%0.421SS*.THydrogen-bonded Turntrans73.3-160.8175.300000115A161 D165A161-G163 PolarHBondContact O-N 3.5Å; G163-D165 PolarHBondContact O-N 2.86Å
164K57.2Low78Confident207 Ų20781 Ų8190%0.945%0.446SS*.THydrogen-bonded Turntrans-79.4-7.6-167.4-101.6-174.4-179.3-179.10116.5
165D64.3Low78Confident144 Ų14484.8 Ų84.877%0.7749%0.485SS*.SBendtrans-151.5128.6175.8-79-62.5000111.8G163G163-D165 PolarHBondContact O-N 2.86Å
166N70.3Confident78.3Confident129 Ų12980.8 Ų80.869%0.6947%0.466SS*.  trans83.3105.7175.4-64.9-20.9000118.4
167P77.8Confident78.6Confident73 Ų7382.4 Ų82.447%0.47447%0.473SS..EExtended strand (participates in β ladder)trans-65.8138168.928.1-32.2000110.8Y159 E160Y159-P167 HydrophobicContact CD1-CB 3.77Å; Y159-P167 HydrophobicContact CD1-CG 4.23Å; Y159-P167 HydrophobicContact CG-CB 4.14Å; E160-P167 WeakPolarHBondContact O-CA 3.41Å
168V86.2Confident78.9Confident29 Ų2984 Ų8418%0.17648%0.484CS..EExtended strand (participates in β ladder)trans-121.3158.1179.4-65.30000110.8Y159 E160 V162 F180Y159-V168 CarbonylContact C-O 3.52Å; Y159-V168 WeakPolarHBondContact CA-O 3.25Å; E160-V168 PolarHBondContact N-O 3.5Å; E160-V168 PolarHBondContact O-N 2.89Å; V162-V168 HydrophobicContact CB-CG2 4.35Å; V162-V168 HydrophobicContact CG2-CG2 3.59Å; V168-F180 CarbonylContact C-O 3.58Å; V168-F180 VanDerWaalsContact CA-O 3.32Å; V168-F180 WeakPolarHBondContact CA-O 3.46Å; V168-F180 WeakPolarHBondContact CB-O 3.43Å
169V86.8Confident79.3Confident0 Ų080 Ų800%047%0.471CS..EExtended strand (participates in β ladder)trans-114130.8176.3-164.50000108.4C157 Y159 F180 R183 L186C157-V169 HydrophobicContact CB-CG1 3.44Å; C157-V169 VanDerWaalsContact CB-CG1 3.44Å; Y159-V169 HydrophobicContact CD1-CG2 3.5Å; Y159-V169 HydrophobicContact CD2-CG2 4.5Å; Y159-V169 HydrophobicContact CE1-CG2 3.33Å; Y159-V169 HydrophobicContact CE2-CG2 4.35Å; Y159-V169 HydrophobicContact CG-CG2 4.11Å; V169-F180 PolarHBondContact N-O 2.95Å; V169-F180 PolarHBondContact O-N 3.13Å; V169-R183 HydrophobicContact CG2-CG 4.16Å; V169-L186 HydrophobicContact CB-CD2 4.37Å; V169-L186 HydrophobicContact CG1-CD2 3.52Å
170L86.8Confident79.7Confident64 Ų6477 Ų7734%0.33546%0.46SS..EExtended strand (participates in β ladder)trans-94.6150179.8-62.489000111E160 T179E160-L170 HydrophobicContact CB-CD1 3.7Å; E160-L170 HydrophobicContact CG-CD1 3.48Å; E160-L170 VanDerWaalsContact CG-CD1 3.48Å; E160-L170 WeakPolarHBondContact OE2-CD1 2.95Å; L170-T179 HydrophobicContact CD2-CG2 4.12Å; L170-T179 HydrophobicContact CG-CG2 3.97Å
171C89.9Confident80.1Confident9 Ų979.2 Ų79.26%0.06147%0.468CS..  trans-81.2118.4168.5-169.80000109.4W173 C176 C178 F180 L186C171-W173 PolarHBondContact O-N 3.44Å; C171-W173 VanDerWaalsContact SG-CB 3.56Å; C171-C176 HydrophobicContact CB-CB 4.31Å; C171-C178 PolarHBondContact N-O 2.83Å; C171-F180 HydrophobicContact CB-CE2 4.3Å; C171-L186 HydrophobicContact CB-CD1 3.87Å
172G86.3Confident80.9Confident12 Ų1277 Ų7712%0.12444%0.444CS..  trans-86.520.7174.700000113.5W133 E134W133-G172 CarbonylContact C-O 3.44Å; W133-G172 WeakPolarHBondContact CA-O 3.42Å; E134-G172 WeakPolarHBondContact CG-O 3.33Å; E134-G172 PolarHBondContact N-O 3.23Å
173W90.8Very high82.2Confident19 Ų1976.7 Ų76.77%0.07243%0.432CS..BIsolated β-bridgetrans-77.8136.4177.7-161.7-84.5000110.2L132 W133 V150 C171 G175 C176 H193 T194L132-W173 HydrophobicContact CB-CD2 4.33Å; L132-W173 HydrophobicContact CB-CH2 4.38Å; L132-W173 HydrophobicContact CB-CZ2 3.69Å; L132-W173 HydrophobicContact CD1-CZ2 4.14Å; L132-W173 HydrophobicContact CG-CZ2 4.04Å; W133-W173 HydrophobicContact CE3-CE3 4.32Å; V150-W173 HydrophobicContact CG1-CZ3 4.14Å; V150-W173 HydrophobicContact CG2-CZ3 4.26Å; C171-W173 PolarHBondContact O-N 3.44Å; C171-W173 VanDerWaalsContact SG-CB 3.56Å; W173-G175 PolarHBondContact O-N 3.48Å; W173-G175 VanDerWaalsContact O-N 3.11Å; W173-C176 HydrophobicContact CB-CB 3.96Å; W173-C176 WeakPolarHBondContact O-CB 3.37Å; W173-C176 PolarHBondContact O-N 3.4Å; W173-H193 AromaticContact CD1-CE1 3.68Å; W173-H193 AromaticContact CD1-CG 3.65Å; W173-H193 AromaticContact CD1-ND1 3.42Å; W173-H193 HydrophobicContact CD2-CB 3.73Å; W173-H193 AromaticContact CD2-CD2 3.95Å; W173-H193 AromaticContact CD2-CG 3.73Å; W173-H193 AromaticContact CE2-CG 3.82Å; W173-H193 HydrophobicContact CE3-CB 4.19Å; W173-H193 HydrophobicContact CG-CB 4.16Å; W173-H193 AromaticContact CG-CD2 3.62Å; W173-H193 AromaticContact CG-CE1 3.94Å; W173-H193 AromaticContact CG-CG 3.62Å; W173-H193 AromaticContact CG-ND1 3.82Å; W173-H193 AromaticContact CG-NE2 3.85Å; W173-H193 HydrophobicContact CH2-CB 4.27Å; W173-H193 HydrophobicContact CZ2-CB 3.81Å; W173-H193 HydrophobicContact CZ3-CB 4.45Å; W173-H193 AromaticContact NE1-CG 3.74Å; W173-H193 AromaticContact NE1-ND1 3.64Å; W173-T194 HydrophobicContact CH2-CG2 3.92Å; W173-T194 HydrophobicContact CZ3-CG2 4.22Å
174K88.5Confident83.3Confident163 Ų16377.7 Ų77.771%0.70943%0.428SS*.THydrogen-bonded Turntrans-52.7119.6-178.6-172.8179.2-179.7-178.80111.3L132L132-K174 HydrophobicContact CB-CB 4.44Å; L132-K174 WeakPolarHBondContact O-CB 3.42Å; L132-K174 PolarHBondContact O-N 2.89Å
175G84.7Confident84.7Confident81 Ų8172 Ų7284%0.83540%0.404SS*.THydrogen-bonded Turntrans79.79.7179.600000115.3W173W173-G175 PolarHBondContact O-N 3.48Å; W173-G175 VanDerWaalsContact O-N 3.11Å
176C89.6Confident85.8Confident22 Ų2265.2 Ų65.215%0.14937%0.367CS..  trans-101.5130.1174.5-166.80000111.3C171 W173 C178 H189 H193C171-C176 HydrophobicContact CB-CB 4.31Å; W173-C176 HydrophobicContact CB-CB 3.96Å; W173-C176 WeakPolarHBondContact O-CB 3.37Å; W173-C176 PolarHBondContact O-N 3.4Å; C176-C178 VanDerWaalsContact SG-SG 3.6Å; C176-H189 PolarHBondContact SG-NE2 3.17Å; C176-H193 PolarHBondContact SG-NE2 3.11Å; C176-H193 VanDerWaalsContact SG-NE2 3.4Å
177T87.4Confident86.6Confident137 Ų13763.8 Ų63.884%0.8435%0.352SS*.  trans-112.313.917853.90000112.6
178C87.1Confident87Confident52 Ų5265.4 Ų65.435%0.35135%0.353SS..  trans-72.4138.1-175.7-63.70000112C171 C176 F180C171-C178 PolarHBondContact N-O 2.83Å; C176-C178 VanDerWaalsContact SG-SG 3.6Å; C178-F180 HydrophobicContact CB-CE2 3.57Å; C178-F180 HydrophobicContact CB-CZ 3.58Å
179T88.5Confident87.1Confident81 Ų8165.5 Ų65.550%0.49735%0.352SS..EExtended strand (participates in β ladder)trans-119.4146175.464.50000110.9L170L170-T179 HydrophobicContact CD2-CG2 4.12Å; L170-T179 HydrophobicContact CG-CG2 3.97Å
180F86.7Confident87.1Confident37 Ų3765.7 Ų65.716%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-132.3147.1-173.2-60.4-80.6000111.5V168 V169 C171 C178 D182 K185 L186 H189V168-F180 CarbonylContact C-O 3.58Å; V168-F180 VanDerWaalsContact CA-O 3.32Å; V168-F180 WeakPolarHBondContact CA-O 3.46Å; V168-F180 WeakPolarHBondContact CB-O 3.43Å; V169-F180 PolarHBondContact N-O 2.95Å; V169-F180 PolarHBondContact O-N 3.13Å; C171-F180 HydrophobicContact CB-CE2 4.3Å; C178-F180 HydrophobicContact CB-CE2 3.57Å; C178-F180 HydrophobicContact CB-CZ 3.58Å; F180-D182 VanDerWaalsContact C-N 3.31Å; F180-D182 PolarHBondContact O-N 3.45Å; F180-K185 HydrophobicContact CB-CB 4.21Å; F180-K185 HydrophobicContact CD1-CB 3.89Å; F180-K185 HydrophobicContact CG-CB 4.37Å; F180-L186 HydrophobicContact CB-CB 4.3Å; F180-L186 HydrophobicContact CD2-CB 3.95Å; F180-L186 HydrophobicContact CD2-CD1 3.72Å; F180-L186 HydrophobicContact CD2-CG 4.43Å; F180-L186 HydrophobicContact CE2-CD1 3.86Å; F180-L186 HydrophobicContact CG-CB 4.2Å; F180-H189 HydrophobicContact CE1-CB 3.64Å; F180-H189 AromaticContact CE1-CG 3.96Å; F180-H189 HydrophobicContact CE2-CB 3.88Å; F180-H189 AromaticContact CE2-CD2 3.37Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.3Å; F180-H189 AromaticContact CE2-CG 3.65Å; F180-H189 HydrophobicContact CZ-CB 3.27Å; F180-H189 AromaticContact CZ-CD2 3.35Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.47Å; F180-H189 AromaticContact CZ-CG 3.11Å; F180-H189 AromaticContact CZ-ND1 3.63Å; F180-H189 AromaticContact CZ-NE2 3.93Å
181K85.4Confident87.2Confident150 Ų15066 Ų6665%0.65235%0.35SS*.SBendtrans-71.4-23.7178.164.2178.4-174.3173.90114.2
182D84.3Confident87.1Confident46 Ų4668.6 Ų68.625%0.24637%0.368CS..SBendtrans-152.5159.6-176.660.940.9000111F180 S184 K185 L186F180-D182 VanDerWaalsContact C-N 3.31Å; F180-D182 PolarHBondContact O-N 3.45Å; D182-S184 PolarHBondContact O-N 2.86Å; D182-S184 PolarHBondContact OD1-N 3.06Å; D182-K185 PolarHBondContact O-N 2.98Å; D182-K185 VanDerWaalsContact OD1-CB 3.26Å; D182-K185 WeakPolarHBondContact OD1-CB 3.42Å; D182-K185 WeakPolarHBondContact OD1-CG 3.49Å; D182-K185 PolarHBondContact OD1-N 3.11Å; D182-L186 PolarHBondContact O-N 3.28Å
183R85Confident87.1Confident88 Ų8870.9 Ų70.933%0.33238%0.375SS..Hα-helixtrans-62.8-28.6178.7-67.1-178.7176.3127-0.5113.1S154 C157 Y159 V169 L186 R187S154-R183 WeakPolarHBondContact O-CD 3.2Å; S154-R183 WeakPolarHBondContact O-CG 3.11Å; C157-R183 PolarHBondContact O-NE 3.15Å; C157-R183 VanDerWaalsContact O-NE 3.15Å; C157-R183 PolarHBondContact O-NH2 3.42Å; Y159-R183 HydrophobicContact CE2-CG 4.41Å; V169-R183 HydrophobicContact CG2-CG 4.16Å; R183-L186 PolarHBondContact O-N 3.19Å; R183-R187 WeakPolarHBondContact O-CB 3.46Å; R183-R187 PolarHBondContact O-N 3.42Å
184S85.7Confident86.9Confident89 Ų8971 Ų7162%0.62238%0.378SS*.Hα-helixtrans-66.6-39.1179-62.60000112.1D182 R187 E188D182-S184 PolarHBondContact O-N 2.86Å; D182-S184 PolarHBondContact OD1-N 3.06Å; S184-R187 PolarHBondContact O-N 2.96Å; S184-E188 PolarHBondContact O-N 2.89Å
185K87.1Confident86.8Confident88 Ų8869 Ų6938%0.38337%0.371SS..Hα-helixtrans-72.8-36.4175.9-70.9-73.3157.2-160.20112.3F180 D182 E188 H189F180-K185 HydrophobicContact CB-CB 4.21Å; F180-K185 HydrophobicContact CD1-CB 3.89Å; F180-K185 HydrophobicContact CG-CB 4.37Å; D182-K185 PolarHBondContact O-N 2.98Å; D182-K185 VanDerWaalsContact OD1-CB 3.26Å; D182-K185 WeakPolarHBondContact OD1-CB 3.42Å; D182-K185 WeakPolarHBondContact OD1-CG 3.49Å; D182-K185 PolarHBondContact OD1-N 3.11Å; K185-E188 IonicContact NZ-OE2 3.66Å; K185-E188 PolarHBondContact NZ-OE2 2.9Å; K185-E188 PolarHBondContact O-N 3.41Å; K185-H189 WeakPolarHBondContact O-CB 3.32Å; K185-H189 PolarHBondContact O-N 3.37Å
186L87.6Confident87Confident0 Ų066.6 Ų66.60%034%0.338CS..Hα-helixtrans-59.7-49.7169.5175.560.6000110.7W133 C157 V169 C171 F180 D182 R183 E188 H189 L190W133-L186 HydrophobicContact CH2-CD2 4.46Å; C157-L186 HydrophobicContact CB-CD2 4.24Å; V169-L186 HydrophobicContact CB-CD2 4.37Å; V169-L186 HydrophobicContact CG1-CD2 3.52Å; C171-L186 HydrophobicContact CB-CD1 3.87Å; F180-L186 HydrophobicContact CB-CB 4.3Å; F180-L186 HydrophobicContact CD2-CB 3.95Å; F180-L186 HydrophobicContact CD2-CD1 3.72Å; F180-L186 HydrophobicContact CD2-CG 4.43Å; F180-L186 HydrophobicContact CE2-CD1 3.86Å; F180-L186 HydrophobicContact CG-CB 4.2Å; D182-L186 PolarHBondContact O-N 3.28Å; R183-L186 PolarHBondContact O-N 3.19Å; L186-E188 VanDerWaalsContact C-N 3.3Å; L186-E188 PolarHBondContact O-N 3.14Å; L186-H189 CarbonylContact O-C 3.59Å; L186-H189 WeakPolarHBondContact O-CA 3.46Å; L186-H189 WeakPolarHBondContact O-CB 3.37Å; L186-H189 PolarHBondContact O-N 3.12Å; L186-L190 HydrophobicContact CD1-CD2 4.09Å; L186-L190 HydrophobicContact CD1-CG 4.27Å; L186-L190 HydrophobicContact CG-CG 4.47Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.25Å
187R86.7Confident87Confident100 Ų10068.7 Ų68.738%0.37735%0.345SS..Hα-helixtrans-55.1-44.3176.8178.8-178.9171.5174.43.7112.5E151 R183 S184 H189 L190E151-R187 VanDerWaalsContact CD-NE 3.3Å; E151-R187 HydrophobicContact CG-CG 4.32Å; E151-R187 IonicContact OE1-CZ 3.75Å; E151-R187 IonicContact OE1-NE 3.11Å; E151-R187 PolarHBondContact OE1-NE 3.2Å; E151-R187 IonicContact OE1-NH1 3.99Å; E151-R187 PolarHBondContact OE1-NH1 3.11Å; E151-R187 IonicContact OE1-NH2 3.08Å; E151-R187 PolarHBondContact OE1-NH2 3.29Å; E151-R187 IonicContact OE2-CZ 3.9Å; E151-R187 IonicContact OE2-NE 2.74Å; E151-R187 PolarHBondContact OE2-NE 3.29Å; E151-R187 IonicContact OE2-NH1 3.13Å; E151-R187 IonicContact OE2-NH2 3.32Å; E151-R187 PolarHBondContact OE2-NH2 3.37Å; R183-R187 WeakPolarHBondContact O-CB 3.46Å; R183-R187 PolarHBondContact O-N 3.42Å; S184-R187 PolarHBondContact O-N 2.96Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 3.41Å; R187-L190 PolarHBondContact O-N 2.81Å
188E86.1Confident87.1Confident106 Ų10663.1 Ų63.150%0.49531%0.31SS..Hα-helixtrans-62.1-40.3175.8-173.4-179.5-18000111.6S184 K185 L186 R191S184-E188 PolarHBondContact O-N 2.89Å; K185-E188 IonicContact NZ-OE2 3.66Å; K185-E188 PolarHBondContact NZ-OE2 2.9Å; K185-E188 PolarHBondContact O-N 3.41Å; L186-E188 VanDerWaalsContact C-N 3.3Å; L186-E188 PolarHBondContact O-N 3.14Å; E188-R191 WeakPolarHBondContact O-CB 3.27Å; E188-R191 PolarHBondContact O-N 3.36Å
189H87.8Confident87.3Confident31 Ų3160.6 Ų60.614%0.14429%0.294CS..Hα-helixtrans-67-36.6177.9167.371000113.6C176 F180 K185 L186 R187 R191 S192 H193C176-H189 PolarHBondContact SG-NE2 3.17Å; F180-H189 HydrophobicContact CE1-CB 3.64Å; F180-H189 AromaticContact CE1-CG 3.96Å; F180-H189 HydrophobicContact CE2-CB 3.88Å; F180-H189 AromaticContact CE2-CD2 3.37Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.3Å; F180-H189 AromaticContact CE2-CG 3.65Å; F180-H189 HydrophobicContact CZ-CB 3.27Å; F180-H189 AromaticContact CZ-CD2 3.35Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.47Å; F180-H189 AromaticContact CZ-CG 3.11Å; F180-H189 AromaticContact CZ-ND1 3.63Å; F180-H189 AromaticContact CZ-NE2 3.93Å; K185-H189 WeakPolarHBondContact O-CB 3.32Å; K185-H189 PolarHBondContact O-N 3.37Å; L186-H189 CarbonylContact O-C 3.59Å; L186-H189 WeakPolarHBondContact O-CA 3.46Å; L186-H189 WeakPolarHBondContact O-CB 3.37Å; L186-H189 PolarHBondContact O-N 3.12Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 3.41Å; H189-R191 PolarHBondContact O-N 3.07Å; H189-R191 VanDerWaalsContact O-N 3.07Å; H189-S192 PolarHBondContact ND1-OG 3.32Å; H189-S192 VanDerWaalsContact O-CB 3.28Å; H189-S192 WeakPolarHBondContact O-CB 3.22Å; H189-S192 PolarHBondContact O-N 3.19Å; H189-S192 PolarHBondContact O-OG 3.14Å; H189-H193 AromaticContact CE1-NE2 3.71Å; H189-H193 AromaticContact NE2-CD2 3.85Å; H189-H193 AromaticContact NE2-NE2 3.28Å; H189-H193 PolarHBondContact NE2-NE2 3.33Å
190L88.2Confident87.5Confident5 Ų556.8 Ų56.83%0.02627%0.27CS..Hα-helixtrans-58.8-25.9180-64.9179.4000112.9W133 V150 L186 R187 S192 H193 T194W133-L190 HydrophobicContact CE3-CD2 4.42Å; W133-L190 HydrophobicContact CH2-CD2 4.49Å; W133-L190 HydrophobicContact CZ3-CD1 3.85Å; W133-L190 HydrophobicContact CZ3-CD2 3.62Å; W133-L190 HydrophobicContact CZ3-CG 4.39Å; V150-L190 HydrophobicContact CG1-CB 4.03Å; V150-L190 HydrophobicContact CG1-CD1 3.91Å; V150-L190 HydrophobicContact CG1-CG 4.46Å; V150-L190 WeakPolarHBondContact O-CD1 3.42Å; L186-L190 HydrophobicContact CD1-CD2 4.09Å; L186-L190 HydrophobicContact CD1-CG 4.27Å; L186-L190 HydrophobicContact CG-CG 4.47Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.25Å; R187-L190 PolarHBondContact O-N 2.81Å; L190-S192 PolarHBondContact O-N 3.38Å; L190-H193 WeakPolarHBondContact O-CB 3.4Å; L190-H193 PolarHBondContact O-N 3.34Å; L190-T194 PolarHBondContact O-N 3.21Å; L190-T194 VanDerWaalsContact O-N 3.08Å; L190-T194 PolarHBondContact O-OG1 3.33Å
191R88Confident87.8Confident71 Ų7155 Ų5527%0.26826%0.262SS..Hα-helixtrans-62.7-22.4172.2-58.4-174.8174.1147.40.8113.9E188 H189 H193 Q195 E196E188-R191 WeakPolarHBondContact O-CB 3.27Å; E188-R191 PolarHBondContact O-N 3.36Å; H189-R191 PolarHBondContact O-N 3.07Å; H189-R191 VanDerWaalsContact O-N 3.07Å; R191-H193 VanDerWaalsContact C-N 3.31Å; R191-Q195 WeakPolarHBondContact O-CA 3.39Å; R191-Q195 PolarHBondContact O-N 2.59Å; R191-E196 HydrophobicContact CB-CB 4.45Å; R191-E196 HydrophobicContact CG-CB 4.25Å; R191-E196 WeakPolarHBondContact CG-OE2 3.3Å; R191-E196 IonicContact NE-OE2 3.79Å; R191-E196 PolarHBondContact NE-OE2 3.24Å; R191-E196 VanDerWaalsContact NE-OE2 3.11Å
192S87.5Confident87.9Confident63 Ų6348.9 Ų48.944%0.44124%0.238SC..Hα-helixtrans-73.7-24.117471.70000112.8H189 L190 Q195H189-S192 PolarHBondContact ND1-OG 3.32Å; H189-S192 VanDerWaalsContact O-CB 3.28Å; H189-S192 WeakPolarHBondContact O-CB 3.22Å; H189-S192 PolarHBondContact O-N 3.19Å; H189-S192 PolarHBondContact O-OG 3.14Å; L190-S192 PolarHBondContact O-N 3.38Å; S192-Q195 PolarHBondContact O-NE2 3.19Å
193H87.5Confident88.2Confident59 Ų5948.3 Ų48.327%0.27324%0.236SC..Hα-helixtrans-84.7-46.5172.8-67.2-60.6000111.3W173 C176 H189 L190 R191W173-H193 AromaticContact CD1-CE1 3.68Å; W173-H193 AromaticContact CD1-CG 3.65Å; W173-H193 AromaticContact CD1-ND1 3.42Å; W173-H193 HydrophobicContact CD2-CB 3.73Å; W173-H193 AromaticContact CD2-CD2 3.95Å; W173-H193 AromaticContact CD2-CG 3.73Å; W173-H193 AromaticContact CE2-CG 3.82Å; W173-H193 HydrophobicContact CE3-CB 4.19Å; W173-H193 HydrophobicContact CG-CB 4.16Å; W173-H193 AromaticContact CG-CD2 3.62Å; W173-H193 AromaticContact CG-CE1 3.94Å; W173-H193 AromaticContact CG-CG 3.62Å; W173-H193 AromaticContact CG-ND1 3.82Å; W173-H193 AromaticContact CG-NE2 3.85Å; W173-H193 HydrophobicContact CH2-CB 4.27Å; W173-H193 HydrophobicContact CZ2-CB 3.81Å; W173-H193 HydrophobicContact CZ3-CB 4.45Å; W173-H193 AromaticContact NE1-CG 3.74Å; W173-H193 AromaticContact NE1-ND1 3.64Å; C176-H193 PolarHBondContact SG-NE2 3.11Å; C176-H193 VanDerWaalsContact SG-NE2 3.4Å; H189-H193 AromaticContact CE1-NE2 3.71Å; H189-H193 AromaticContact NE2-CD2 3.85Å; H189-H193 AromaticContact NE2-NE2 3.28Å; H189-H193 PolarHBondContact NE2-NE2 3.33Å; L190-H193 WeakPolarHBondContact O-CB 3.4Å; L190-H193 PolarHBondContact O-N 3.34Å; R191-H193 VanDerWaalsContact C-N 3.31Å
194T85.6Confident88.3Confident21 Ų2144.6 Ų44.613%0.12922%0.223CC..Hα-helixtrans-84.2-11.2-175.463.40000114.1F146 V150 W173 L190 E196F146-T194 HydrophobicContact CE1-CG2 3.86Å; F146-T194 HydrophobicContact CZ-CG2 3.95Å; V150-T194 HydrophobicContact CB-CG2 4.42Å; V150-T194 HydrophobicContact CG1-CG2 3.93Å; V150-T194 HydrophobicContact CG2-CG2 4.1Å; W173-T194 HydrophobicContact CH2-CG2 3.92Å; W173-T194 HydrophobicContact CZ3-CG2 4.22Å; L190-T194 PolarHBondContact O-N 3.21Å; L190-T194 VanDerWaalsContact O-N 3.08Å; L190-T194 PolarHBondContact O-OG1 3.33Å; T194-E196 PolarHBondContact O-N 3.01Å; T194-E196 VanDerWaalsContact O-N 3.1Å
195Q87.1Confident88.4Confident121 Ų12140.6 Ų40.657%0.56520%0.196SC*.  trans55.722-174.2-60.7-62.8-35.500114.4R191 S192 K197R191-Q195 WeakPolarHBondContact O-CA 3.39Å; R191-Q195 PolarHBondContact O-N 2.59Å; S192-Q195 PolarHBondContact O-NE2 3.19Å; Q195-K197 PolarHBondContact O-N 2.95Å
196E87.8Confident88.5Confident31 Ų3137.6 Ų37.615%0.14519%0.19CC..  trans-49.7132-176.5-173.8-171.2-161.700112Y91 Y147 R191 T194 V198Y91-E196 WeakPolarHBondContact OH-CG 3.31Å; Y91-E196 PolarHBondContact OH-OE1 2.88Å; Y147-E196 HydrophobicContact CD1-CB 3.81Å; Y147-E196 HydrophobicContact CD1-CG 3.67Å; Y147-E196 HydrophobicContact CD2-CG 4.11Å; Y147-E196 HydrophobicContact CE1-CB 3.56Å; Y147-E196 HydrophobicContact CE1-CG 3.73Å; Y147-E196 HydrophobicContact CE2-CG 4.19Å; Y147-E196 HydrophobicContact CG-CG 3.88Å; R191-E196 HydrophobicContact CB-CB 4.45Å; R191-E196 HydrophobicContact CG-CB 4.25Å; R191-E196 WeakPolarHBondContact CG-OE2 3.3Å; R191-E196 IonicContact NE-OE2 3.79Å; R191-E196 PolarHBondContact NE-OE2 3.24Å; R191-E196 VanDerWaalsContact NE-OE2 3.11Å; T194-E196 PolarHBondContact O-N 3.01Å; T194-E196 VanDerWaalsContact O-N 3.1Å; E196-V198 HydrophobicContact CG-CG1 4.33Å
197K90.1Very high88.7Confident67 Ų6739.3 Ų39.329%0.29120%0.199SC..  trans-98133.8168.6-53-55.5-179.6-148.90108.8Y91 L95 Q195 M207Y91-K197 PolarHBondContact OH-O 3.02Å; L95-K197 HydrophobicContact CD1-CB 4.14Å; L95-K197 WeakPolarHBondContact CD1-O 3.46Å; Q195-K197 PolarHBondContact O-N 2.95Å; K197-M207 HydrophobicContact CB-CB 3.83Å; K197-M207 HydrophobicContact CG-CB 3.8Å
198V89.7Confident88.9Confident19 Ų1936.2 Ų36.212%0.11519%0.188CC..  trans-112.1-3.9-169.5-54.40000113.4E196 F208 A209E196-V198 HydrophobicContact CG-CG1 4.33Å; V198-F208 PolarHBondContact N-O 3.2Å; V198-A209 WeakPolarHBondContact CG2-O 3.43Å
199V91.9Very high89Confident0 Ų033.4 Ų33.40%018%0.183CC..EExtended strand (participates in β ladder)trans-158.5143.7-179.963.40000109.1F208 F214V199-F208 HydrophobicContact CG1-CB 3.88Å; V199-F208 PolarHBondContact N-O 3.31Å; V199-F208 PolarHBondContact O-N 3.32Å; V199-F214 HydrophobicContact CG1-CB 3.56Å; V199-F214 HydrophobicContact CG1-CD1 4.49Å; V199-F214 HydrophobicContact CG1-CG 4.09Å; V199-F214 HydrophobicContact CG2-CB 4.37Å; V199-F214 HydrophobicContact CG2-CD1 3.8Å; V199-F214 HydrophobicContact CG2-CE1 4.24Å; V199-F214 HydrophobicContact CG2-CG 3.98Å
200A92.3Very high88.9Confident0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-129.3150.4176.800000111.4L95 K96 G99 P202 G206 M207L95-A200 HydrophobicContact CB-CB 3.58Å; L95-A200 PolarHBondContact O-N 3.03Å; K96-A200 HydrophobicContact CG-CB 4.06Å; G99-A200 WeakPolarHBondContact CA-O 3.37Å; A200-P202 WeakPolarHBondContact O-CD 3.46Å; A200-G206 CarbonylContact C-O 3.52Å; A200-G206 VanDerWaalsContact CA-O 3.23Å; A200-G206 WeakPolarHBondContact CA-O 3.43Å; A200-M207 HydrophobicContact CB-CG 4.02Å
201C91.8Very high88.9Confident0 Ų038.8 Ų38.80%021%0.212CC..  trans-71.1123.4176.1-176.20000110.1C112 T203 C204 G205 G206 F208 F214C112-C201 WeakPolarHBondContact CB-SG 3.47Å; C112-C201 VanDerWaalsContact SG-SG 3.69Å; C201-T203 PolarHBondContact O-N 3.04Å; C201-C204 VanDerWaalsContact CB-SG 3.57Å; C201-C204 VanDerWaalsContact SG-SG 3.63Å; C201-G205 WeakPolarHBondContact O-CA 3.22Å; C201-G205 PolarHBondContact O-N 2.74Å; C201-G206 PolarHBondContact N-O 3.45Å; C201-F208 HydrophobicContact CB-CE2 4.31Å; C201-F214 HydrophobicContact CB-CE2 3.9Å
202P89.3Confident88.9Confident22 Ų2238.3 Ų38.314%0.14322%0.218CC..THydrogen-bonded Turntrans-66.1-2118026.8-34.9000113.3L100 L103 R119 A200L100-P202 HydrophobicContact CB-CB 4.33Å; L100-P202 HydrophobicContact CB-CG 4.23Å; L100-P202 HydrophobicContact CD1-CG 4.36Å; L103-P202 HydrophobicContact CD1-CG 3.95Å; R119-P202 WeakPolarHBondContact CD-O 3.19Å; R119-P202 PolarHBondContact NE-O 3.25Å; A200-P202 WeakPolarHBondContact O-CD 3.46Å
203T88.8Confident88.9Confident34 Ų3439.9 Ų39.921%0.20922%0.217CC..THydrogen-bonded Turntrans-90.2-52.7-179.9-44.80000112.7C112 R119 C201C112-T203 HydrophobicContact CB-CG2 4.39Å; R119-T203 WeakPolarHBondContact CB-O 3.38Å; R119-T203 WeakPolarHBondContact CD-O 3.42Å; R119-T203 WeakPolarHBondContact CG-O 3.45Å; C201-T203 PolarHBondContact O-N 3.04Å
204C88.8Confident89.1Confident9 Ų937.1 Ų37.16%0.06120%0.204CC..THydrogen-bonded Turntrans-105.92-172.373.30000114.4L114 C201 G206L114-C204 HydrophobicContact CB-CB 3.84Å; C201-C204 VanDerWaalsContact CB-SG 3.57Å; C201-C204 VanDerWaalsContact SG-SG 3.63Å; C204-G206 PolarHBondContact O-N 3.25Å
205G87.4Confident89.2Confident5 Ų537.3 Ų37.35%0.05220%0.204CC..  trans72.9-4.4177.700000115.6H92 R119 C201 M207H92-G205 PolarHBondContact NE2-O 2.84Å; H92-G205 VanDerWaalsContact NE2-O 3.09Å; R119-G205 WeakPolarHBondContact O-CA 3.48Å; C201-G205 WeakPolarHBondContact O-CA 3.22Å; C201-G205 PolarHBondContact O-N 2.74Å; G205-M207 PolarHBondContact O-N 3.25Å
206G89.6Confident89.2Confident25 Ų2531.8 Ų31.826%0.25818%0.178SC..  trans-58.6127.7-17900000112.2A200 C201 C204 F208A200-G206 CarbonylContact C-O 3.52Å; A200-G206 VanDerWaalsContact CA-O 3.23Å; A200-G206 WeakPolarHBondContact CA-O 3.43Å; C201-G206 PolarHBondContact N-O 3.45Å; C204-G206 PolarHBondContact O-N 3.25Å; G206-F208 VanDerWaalsContact O-CD2 3.31Å; G206-F208 WeakPolarHBondContact O-CD2 3.4Å; G206-F208 WeakPolarHBondContact O-CE2 3.47Å
207M91.1Very high89.3Confident37 Ų3731.7 Ų31.718%0.18218%0.178CC..EExtended strand (participates in β ladder)trans-99.9141.2-178.5-59.2-173.4-67.700112.5F88 L95 P123 K197 A200 G205F88-M207 HydrophobicContact CE1-CE 3.98Å; F88-M207 HydrophobicContact CE1-SD 3.72Å; F88-M207 HydrophobicContact CZ-CE 3.86Å; F88-M207 HydrophobicContact CZ-SD 3.82Å; L95-M207 HydrophobicContact CD1-CG 4.47Å; L95-M207 HydrophobicContact CD1-SD 4.15Å; P123-M207 HydrophobicContact CG-CE 3.39Å; K197-M207 HydrophobicContact CB-CB 3.83Å; K197-M207 HydrophobicContact CG-CB 3.8Å; A200-M207 HydrophobicContact CB-CG 4.02Å; G205-M207 PolarHBondContact O-N 3.25Å
208F90.7Very high89.2Confident35 Ų3528.7 Ų28.715%0.15417%0.165CC..EExtended strand (participates in β ladder)trans-131.3145.9-174-53.3-86.1000112.7V198 V199 C201 G206 N210 K213 F214 H217V198-F208 PolarHBondContact N-O 3.2Å; V199-F208 HydrophobicContact CG1-CB 3.88Å; V199-F208 PolarHBondContact N-O 3.31Å; V199-F208 PolarHBondContact O-N 3.32Å; C201-F208 HydrophobicContact CB-CE2 4.31Å; G206-F208 VanDerWaalsContact O-CD2 3.31Å; G206-F208 WeakPolarHBondContact O-CD2 3.4Å; G206-F208 WeakPolarHBondContact O-CE2 3.47Å; F208-N210 VanDerWaalsContact C-N 3.28Å; F208-N210 PolarHBondContact O-N 2.88Å; F208-K213 HydrophobicContact CB-CB 4.27Å; F208-K213 HydrophobicContact CD1-CB 4.25Å; F208-F214 HydrophobicContact CB-CB 4.07Å; F208-F214 HydrophobicContact CD2-CB 3.69Å; F208-F214 AromaticContact CD2-CD2 3.61Å; F208-F214 HydrophobicContact CD2-CD2 3.61Å; F208-F214 HydrophobicContact CD2-CG 4.09Å; F208-F214 HydrophobicContact CE2-CB 4.37Å; F208-F214 AromaticContact CE2-CD2 3.59Å; F208-F214 HydrophobicContact CE2-CD2 3.59Å; F208-F214 HydrophobicContact CE2-CE2 4.43Å; F208-F214 HydrophobicContact CE2-CG 4.46Å; F208-F214 HydrophobicContact CG-CB 3.9Å; F208-H217 HydrophobicContact CE1-CB 3.56Å; F208-H217 AromaticContact CE1-CG 3.89Å; F208-H217 HydrophobicContact CE2-CB 4.31Å; F208-H217 HydrophobicContact CZ-CB 3.45Å; F208-H217 VanDerWaalsContact CZ-CB 3.45Å; F208-H217 AromaticContact CZ-CD2 3.69Å; F208-H217 AromaticContact CZ-CE1 3.96Å; F208-H217 AromaticContact CZ-CG 3.3Å; F208-H217 AromaticContact CZ-ND1 3.52Å
209A87.7Confident89Confident46 Ų4630.6 Ų30.638%0.3817%0.17SC..SBendtrans-73.3-16-179.400000114V198V198-A209 WeakPolarHBondContact CG2-O 3.43Å
210N87.1Confident88.5Confident62 Ų6237.3 Ų37.333%0.33220%0.195SC..SBendtrans-160.2164.6173.959.251.2000112.2F208 T212 K213 F214F208-N210 VanDerWaalsContact C-N 3.28Å; F208-N210 PolarHBondContact O-N 2.88Å; N210-T212 VanDerWaalsContact C-N 3.28Å; N210-T212 PolarHBondContact O-N 3.1Å; N210-T212 PolarHBondContact OD1-N 3.43Å; N210-K213 PolarHBondContact O-N 2.91Å; N210-K213 WeakPolarHBondContact OD1-CB 3.49Å; N210-K213 VanDerWaalsContact OD1-CG 3.26Å; N210-K213 WeakPolarHBondContact OD1-CG 3.49Å; N210-K213 PolarHBondContact OD1-N 3.27Å; N210-F214 PolarHBondContact O-N 3.05Å
211N87.6Confident87.9Confident87 Ų8738.8 Ų38.847%0.46520%0.202SC..Hα-helixtrans-59.2-35.5178.3-77.4-24000113K213 F214 L215N211-K213 PolarHBondContact O-N 3.47Å; N211-F214 PolarHBondContact O-N 3.19Å; N211-L215 VanDerWaalsContact O-CG 3.29Å; N211-L215 WeakPolarHBondContact O-CG 2.88Å; N211-L215 PolarHBondContact O-N 2.88Å
212T87.2Confident87.2Confident62 Ų6239.9 Ų39.938%0.3821%0.209SC..Hα-helixtrans-63.5-42.8179.4-47.90000111.7N210 F214 L215 D216 R242N210-T212 VanDerWaalsContact C-N 3.28Å; N210-T212 PolarHBondContact O-N 3.1Å; N210-T212 PolarHBondContact OD1-N 3.43Å; T212-F214 VanDerWaalsContact C-N 3.34Å; T212-L215 PolarHBondContact O-N 2.69Å; T212-D216 VanDerWaalsContact O-CB 3.29Å; T212-D216 WeakPolarHBondContact O-CB 3.42Å; T212-D216 PolarHBondContact O-N 3.45Å; T212-R242 VanDerWaalsContact CG2-CZ 3.43Å
213K88.4Confident86.2Confident96 Ų9641.8 Ų41.842%0.41722%0.223SC..Hα-helixtrans-67.2-36.6177.6-68.7-64.2-178.3-1790112F208 N210 N211 H217F208-K213 HydrophobicContact CB-CB 4.27Å; F208-K213 HydrophobicContact CD1-CB 4.25Å; N210-K213 PolarHBondContact O-N 2.91Å; N210-K213 WeakPolarHBondContact OD1-CB 3.49Å; N210-K213 VanDerWaalsContact OD1-CG 3.26Å; N210-K213 WeakPolarHBondContact OD1-CG 3.49Å; N210-K213 PolarHBondContact OD1-N 3.27Å; N211-K213 PolarHBondContact O-N 3.47Å; K213-H217 PolarHBondContact O-N 2.85Å
214F90.7Very high85.2Confident0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-64.2-49.1173170-119.4000112.5G99 A102 L103 V199 C201 F208 N210 N211 T212 D216 H217 I218G99-F214 VanDerWaalsContact O-CE1 3.28Å; G99-F214 WeakPolarHBondContact O-CE1 2.92Å; G99-F214 WeakPolarHBondContact O-CZ 3.5Å; A102-F214 HydrophobicContact CB-CD1 4.15Å; A102-F214 HydrophobicContact CB-CE1 3.92Å; L103-F214 HydrophobicContact CD1-CZ 3.83Å; L103-F214 HydrophobicContact CD2-CZ 4.34Å; L103-F214 HydrophobicContact CG-CE1 3.94Å; L103-F214 HydrophobicContact CG-CZ 3.71Å; V199-F214 HydrophobicContact CG1-CB 3.56Å; V199-F214 HydrophobicContact CG1-CD1 4.49Å; V199-F214 HydrophobicContact CG1-CG 4.09Å; V199-F214 HydrophobicContact CG2-CB 4.37Å; V199-F214 HydrophobicContact CG2-CD1 3.8Å; V199-F214 HydrophobicContact CG2-CE1 4.24Å; V199-F214 HydrophobicContact CG2-CG 3.98Å; C201-F214 HydrophobicContact CB-CE2 3.9Å; F208-F214 HydrophobicContact CB-CB 4.07Å; F208-F214 HydrophobicContact CD2-CB 3.69Å; F208-F214 AromaticContact CD2-CD2 3.61Å; F208-F214 HydrophobicContact CD2-CD2 3.61Å; F208-F214 HydrophobicContact CD2-CG 4.09Å; F208-F214 HydrophobicContact CE2-CB 4.37Å; F208-F214 AromaticContact CE2-CD2 3.59Å; F208-F214 HydrophobicContact CE2-CD2 3.59Å; F208-F214 HydrophobicContact CE2-CE2 4.43Å; F208-F214 HydrophobicContact CE2-CG 4.46Å; F208-F214 HydrophobicContact CG-CB 3.9Å; N210-F214 PolarHBondContact O-N 3.05Å; N211-F214 PolarHBondContact O-N 3.19Å; T212-F214 VanDerWaalsContact C-N 3.34Å; F214-D216 VanDerWaalsContact C-N 3.31Å; F214-D216 PolarHBondContact O-N 3.24Å; F214-H217 VanDerWaalsContact O-CB 3.28Å; F214-H217 WeakPolarHBondContact O-CB 3.06Å; F214-H217 PolarHBondContact O-N 2.89Å; F214-I218 HydrophobicContact CE2-CD1 4.15Å; F214-I218 HydrophobicContact CE2-CG1 4.09Å; F214-I218 HydrophobicContact CZ-CD1 4.48Å; F214-I218 HydrophobicContact CZ-CG1 4.29Å; F214-I218 PolarHBondContact O-N 3.44Å
215L88.7Confident84Confident26 Ų2652 Ų5214%0.13628%0.275CS..Hα-helixtrans-63.8-37.7176.5-65.2175.8000111.7Q106 L109 N211 T212 H217 I218 R219Q106-L215 HydrophobicContact CG-CD1 4.47Å; Q106-L215 HydrophobicContact CG-CD2 3.98Å; L109-L215 HydrophobicContact CD1-CD2 3.73Å; N211-L215 VanDerWaalsContact O-CG 3.29Å; N211-L215 WeakPolarHBondContact O-CG 2.88Å; N211-L215 PolarHBondContact O-N 2.88Å; T212-L215 PolarHBondContact O-N 2.69Å; L215-H217 VanDerWaalsContact C-N 3.27Å; L215-H217 PolarHBondContact O-N 3.01Å; L215-I218 PolarHBondContact O-N 3.16Å; L215-R219 WeakPolarHBondContact O-CB 3.42Å; L215-R219 WeakPolarHBondContact O-CD 3.29Å; L215-R219 VanDerWaalsContact O-CG 3.24Å; L215-R219 WeakPolarHBondContact O-CG 3.36Å; L215-R219 PolarHBondContact O-N 3.42Å
216D87.1Confident83Confident4 Ų456.8 Ų56.82%0.02130%0.296CS..Hα-helixtrans-61.5-35.6172.9-75.2-17.2000111.4T212 F214 R220 R242 L243T212-D216 VanDerWaalsContact O-CB 3.29Å; T212-D216 WeakPolarHBondContact O-CB 3.42Å; T212-D216 PolarHBondContact O-N 3.45Å; F214-D216 VanDerWaalsContact C-N 3.31Å; F214-D216 PolarHBondContact O-N 3.24Å; D216-R220 WeakPolarHBondContact O-CD 3.06Å; D216-R220 WeakPolarHBondContact O-CG 3Å; D216-R220 PolarHBondContact O-N 3.43Å; D216-R220 VanDerWaalsContact O-N 3.11Å; D216-R242 IonicContact OD1-NE 2.65Å; D216-R242 IonicContact OD2-CZ 3.88Å; D216-R242 IonicContact OD2-NE 3.23Å; D216-R242 PolarHBondContact OD2-NE 3.47Å; D216-R242 VanDerWaalsContact OD2-NE 3.13Å; D216-R242 IonicContact OD2-NH2 3.29Å; D216-L243 HydrophobicContact CB-CD2 4.13Å
217H88.5Confident82.4Confident30 Ų3056.8 Ų56.814%0.13929%0.289CS..Hα-helixtrans-63.1-44174.9157.994.2000112.1F208 K213 F214 L215 Q221F208-H217 HydrophobicContact CE1-CB 3.56Å; F208-H217 AromaticContact CE1-CG 3.89Å; F208-H217 HydrophobicContact CE2-CB 4.31Å; F208-H217 HydrophobicContact CZ-CB 3.45Å; F208-H217 VanDerWaalsContact CZ-CB 3.45Å; F208-H217 AromaticContact CZ-CD2 3.69Å; F208-H217 AromaticContact CZ-CE1 3.96Å; F208-H217 AromaticContact CZ-CG 3.3Å; F208-H217 AromaticContact CZ-ND1 3.52Å; K213-H217 PolarHBondContact O-N 2.85Å; F214-H217 VanDerWaalsContact O-CB 3.28Å; F214-H217 WeakPolarHBondContact O-CB 3.06Å; F214-H217 PolarHBondContact O-N 2.89Å; L215-H217 VanDerWaalsContact C-N 3.27Å; L215-H217 PolarHBondContact O-N 3.01Å; H217-Q221 PolarHBondContact CE1-NE2 2.96Å; H217-Q221 PolarHBondContact NE2-NE2 3.07Å; H217-Q221 PolarHBondContact O-NE2 3.46Å
218I88Confident81.7Confident4 Ų461.3 Ų61.32%0.02131%0.31CS..Hα-helixtrans-68.3-45.3177.3-56.8-67.7000110.6L103 L109 G110 C112 F214 L215 R220 Q221 T222L103-I218 HydrophobicContact CD2-CD1 4.32Å; L103-I218 HydrophobicContact CD2-CG1 3.94Å; L103-I218 HydrophobicContact CD2-CG2 4.13Å; L109-I218 HydrophobicContact CB-CG2 4.29Å; G110-I218 WeakPolarHBondContact O-CG2 3.4Å; C112-I218 HydrophobicContact CB-CD1 3.66Å; F214-I218 HydrophobicContact CE2-CD1 4.15Å; F214-I218 HydrophobicContact CE2-CG1 4.09Å; F214-I218 HydrophobicContact CZ-CD1 4.48Å; F214-I218 HydrophobicContact CZ-CG1 4.29Å; F214-I218 PolarHBondContact O-N 3.44Å; L215-I218 PolarHBondContact O-N 3.16Å; I218-R220 PolarHBondContact O-N 2.84Å; I218-Q221 WeakPolarHBondContact O-CB 3.38Å; I218-Q221 PolarHBondContact O-N 2.81Å; I218-T222 PolarHBondContact O-N 3.47Å
219R85.5Confident80.9Confident58 Ų5863.3 Ų63.322%0.21932%0.319CS..Hα-helixtrans-62.7-25.9179.8-74.1167.1175.3-175.10.9114L109 L215 Q221 T222 A239 L243L109-R219 HydrophobicContact CD1-CG 4.47Å; L109-R219 HydrophobicContact CD2-CG 3.66Å; L215-R219 WeakPolarHBondContact O-CB 3.42Å; L215-R219 WeakPolarHBondContact O-CD 3.29Å; L215-R219 VanDerWaalsContact O-CG 3.24Å; L215-R219 WeakPolarHBondContact O-CG 3.36Å; L215-R219 PolarHBondContact O-N 3.42Å; R219-Q221 PolarHBondContact O-N 3.39Å; R219-T222 WeakPolarHBondContact CA-OG1 3.33Å; R219-T222 WeakPolarHBondContact O-CB 3.24Å; R219-T222 PolarHBondContact O-N 2.78Å; R219-T222 PolarHBondContact O-OG1 3.32Å; R219-A239 HydrophobicContact CB-CB 4.21Å; R219-A239 WeakPolarHBondContact O-CB 3.44Å; R219-L243 HydrophobicContact CB-CD1 4.21Å
220R82.3Confident80.3Confident142 Ų14266.7 Ų66.754%0.53633%0.326SS..THydrogen-bonded Turntrans-71.7-21.4174.7-76.5166.5-171.9-81.33.2112.8D216 I218 L243D216-R220 WeakPolarHBondContact O-CD 3.06Å; D216-R220 WeakPolarHBondContact O-CG 3Å; D216-R220 PolarHBondContact O-N 3.43Å; D216-R220 VanDerWaalsContact O-N 3.11Å; I218-R220 PolarHBondContact O-N 2.84Å; R220-L243 HydrophobicContact CG-CD1 4.1Å; R220-L243 HydrophobicContact CG-CD2 4.42Å; R220-L243 VanDerWaalsContact CZ-CD2 3.47Å
221Q80.7Confident79.6Confident30 Ų3063.9 Ų63.914%0.1431%0.312CS..THydrogen-bonded Turntrans-91.5-8.8179.7-62.1170.327.300112.4C112 I113 H217 I218 R219C112-Q221 PolarHBondContact SG-NE2 3.42Å; C112-Q221 VanDerWaalsContact SG-NE2 3.43Å; C112-Q221 PolarHBondContact SG-OE1 3.39Å; I113-Q221 HydrophobicContact CD1-CB 3.84Å; I113-Q221 HydrophobicContact CD1-CG 4.44Å; I113-Q221 WeakPolarHBondContact CD1-O 3.16Å; I113-Q221 HydrophobicContact CG1-CB 3.87Å; I113-Q221 HydrophobicContact CG1-CG 4.16Å; H217-Q221 PolarHBondContact CE1-NE2 2.96Å; H217-Q221 PolarHBondContact NE2-NE2 3.07Å; H217-Q221 PolarHBondContact O-NE2 3.46Å; I218-Q221 WeakPolarHBondContact O-CB 3.38Å; I218-Q221 PolarHBondContact O-N 2.81Å; R219-Q221 PolarHBondContact O-N 3.39Å
222T75.9Confident78.6Confident24 Ų2463.6 Ų63.615%0.14732%0.316CS..SBendtrans-59.1139.5177.1-540000111.2I218 R219 Q226 Q227I218-T222 PolarHBondContact O-N 3.47Å; R219-T222 WeakPolarHBondContact CA-OG1 3.33Å; R219-T222 WeakPolarHBondContact O-CB 3.24Å; R219-T222 PolarHBondContact O-N 2.78Å; R219-T222 PolarHBondContact O-OG1 3.32Å; T222-Q226 HydrophobicContact CG2-CB 3.53Å; T222-Q226 HydrophobicContact CG2-CG 4.08Å; T222-Q227 PolarHBondContact O-NE2 3.02Å
223S68.9Low77.3Confident62 Ų6261.4 Ų61.443%0.43430%0.302SS..  trans-53.8150.717962.70000112.2D225 Q226S223-D225 PolarHBondContact O-N 3.4Å; S223-D225 VanDerWaalsContact O-N 3.07Å; S223-Q226 PolarHBondContact O-N 2.9Å
224L67Low76.4Confident119 Ų11958 Ų5862%0.62329%0.29SS*.G310 helixtrans-53.7-30.6-179-70.8166.1000112.6Q226 Q227L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 3.38Å; L224-Q227 WeakPolarHBondContact O-CB 3.46Å; L224-Q227 PolarHBondContact O-N 2.8Å; L224-Q227 VanDerWaalsContact O-N 3.09Å
225D64.1Low75.5Confident139 Ų13962 Ų6274%0.74332%0.317SS*.G310 helixtrans-66.4-29.6-179.6-58.9-37.8000113.3S223S223-D225 PolarHBondContact O-N 3.4Å; S223-D225 VanDerWaalsContact O-N 3.07Å
226Q66.6Low74.7Confident104 Ų10466.8 Ų66.849%0.48634%0.337SS..G310 helixtrans-94.84.4175-51-172.5-46.200112.6T222 S223 L224 H228T222-Q226 HydrophobicContact CG2-CB 3.53Å; T222-Q226 HydrophobicContact CG2-CG 4.08Å; S223-Q226 PolarHBondContact O-N 2.9Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 3.38Å; Q226-H228 PolarHBondContact O-CE1 3.27Å; Q226-H228 PolarHBondContact O-N 3.05Å; Q226-H228 PolarHBondContact O-ND1 2.8Å
227Q76.4Confident74.2Confident25 Ų2571.8 Ų71.812%0.11736%0.356CS..  trans-87.582.7172.8-61.8-176.69.500110.3T222 L224 R237 F238 A239T222-Q227 PolarHBondContact O-NE2 3.02Å; L224-Q227 WeakPolarHBondContact O-CB 3.46Å; L224-Q227 PolarHBondContact O-N 2.8Å; L224-Q227 VanDerWaalsContact O-N 3.09Å; Q227-R237 HydrophobicContact CB-CB 3.68Å; Q227-R237 PolarHBondContact O-NE 2.98Å; Q227-R237 PolarHBondContact O-NH2 3.49Å; Q227-R237 VanDerWaalsContact O-NH2 3.07Å; Q227-R237 VanDerWaalsContact OE1-C 3.27Å; Q227-R237 PolarHBondContact OE1-O 3.4Å; Q227-F238 CarbonylContact C-O 3.56Å; Q227-F238 WeakPolarHBondContact CA-O 3.26Å; Q227-A239 HydrophobicContact CG-CB 4.39Å
228H76.5Confident73.7Confident132 Ų13271.7 Ų71.761%0.61136%0.355SS*.  trans-79.7-21.3-175.8-54.994000113.3Q226 Q230 F238Q226-H228 PolarHBondContact O-CE1 3.27Å; Q226-H228 PolarHBondContact O-N 3.05Å; Q226-H228 PolarHBondContact O-ND1 2.8Å; H228-Q230 PolarHBondContact O-N 3.22Å; H228-F238 PolarHBondContact N-O 3.21Å
229F74Confident73.3Confident78 Ų7872.3 Ų72.334%0.34236%0.361SS..EExtended strand (participates in β ladder)trans-93.798.5-174.3-61.4-83000110.8R237 F238 T240 E241 L244F229-R237 CarbonylContact O-C 3.31Å; F229-R237 WeakPolarHBondContact O-CA 3.49Å; F229-F238 HydrophobicContact CB-CB 4.34Å; F229-F238 WeakPolarHBondContact CB-O 3.47Å; F229-F238 PolarHBondContact N-O 2.88Å; F229-F238 PolarHBondContact O-N 2.97Å; F229-T240 VanDerWaalsContact CD2-C 3.43Å; F229-T240 VanDerWaalsContact CD2-CA 3.47Å; F229-E241 HydrophobicContact CD1-CB 4.1Å; F229-E241 HydrophobicContact CD1-CG 4.4Å; F229-E241 HydrophobicContact CE1-CB 3.82Å; F229-E241 HydrophobicContact CE1-CG 4.26Å; F229-E241 HydrophobicContact CZ-CB 4.12Å; F229-L244 HydrophobicContact CB-CB 4.18Å; F229-L244 HydrophobicContact CB-CD2 3.99Å
230Q75.6Confident72.9Confident117 Ų11770.6 Ų70.655%0.54736%0.357SS..EExtended strand (participates in β ladder)trans-86.6137.4175.2-169.5176.125.600111H228 R237H228-Q230 PolarHBondContact O-N 3.22Å; Q230-R237 HydrophobicContact CB-CG 4.36Å; Q230-R237 HydrophobicContact CG-CG 4.26Å
231C71.4Confident72.5Confident3 Ų368.1 Ų68.12%0.0235%0.351CS..  trans-71.3129.3169.2179.10000110.2H233 C234 K236 F238 L244 H251C231-H233 PolarHBondContact O-N 3.32Å; C231-H233 PolarHBondContact SG-N 2.9Å; C231-H233 VanDerWaalsContact SG-N 3.37Å; C231-C234 CarbonylContact C-O 3.59Å; C231-C234 WeakPolarHBondContact CB-O 3.4Å; C231-C234 VanDerWaalsContact SG-SG 3.69Å; C231-K236 PolarHBondContact N-O 3.29Å; C231-F238 HydrophobicContact CB-CE2 4.27Å; C231-L244 HydrophobicContact CB-CD1 3.7Å; C231-H251 PolarHBondContact SG-NE2 3.38Å; C231-H251 VanDerWaalsContact SG-NE2 3.39Å
232S66.7Low72.4Confident80 Ų8071.7 Ų71.756%0.55936%0.363SS*.SBendtrans-62.7-28.417448.20000112.6K382S232-K382 PolarHBondContact O-NZ 3.39Å
233H61Low72.6Confident16 Ų1670.7 Ų70.77%0.07436%0.357CS..SBendtrans-95.1-17.3-173.7-49.1-72.3000114.3C231 M248 Y396C231-H233 PolarHBondContact O-N 3.32Å; C231-H233 PolarHBondContact SG-N 2.9Å; C231-H233 VanDerWaalsContact SG-N 3.37Å; H233-M248 WeakPolarHBondContact CD2-CE 3.29Å; H233-M248 VanDerWaalsContact CD2-SD 3.51Å; H233-M248 VanDerWaalsContact NE2-CE 3.26Å; H233-M248 WeakPolarHBondContact NE2-CE 3.49Å; H233-Y396 AromaticContact CE1-CE2 3.2Å; H233-Y396 WeakPolarHBondContact CE1-CE2 3.45Å; H233-Y396 AromaticContact CE1-CZ 3.26Å; H233-Y396 PolarHBondContact CE1-OH 3.21Å; H233-Y396 AromaticContact ND1-CE2 3.1Å; H233-Y396 WeakPolarHBondContact ND1-CE2 3.43Å; H233-Y396 AromaticContact ND1-CZ 3.53Å; H233-Y396 PolarHBondContact ND1-OH 3.29Å
234C69.4Low73Confident25 Ų2569 Ų6917%0.16934%0.344CS..SBendtrans-146.2155.9174.372.60000111C231 K236 H247C231-C234 CarbonylContact C-O 3.59Å; C231-C234 WeakPolarHBondContact CB-O 3.4Å; C231-C234 VanDerWaalsContact SG-SG 3.69Å; C234-K236 PolarHBondContact O-N 3.32Å; C234-H247 PolarHBondContact SG-NE2 2.98Å
235S70.9Confident73.4Confident83 Ų8368.3 Ų68.358%0.5833%0.332SS*.SBendtrans-6810.2-178.840.80000114.8
236K71.6Confident74Confident127 Ų12763.2 Ų63.255%0.55231%0.305SS*.  trans-76.8136.7178.4-63.9-171.6176-169.50111.3C231 C234 F238C231-K236 PolarHBondContact N-O 3.29Å; C234-K236 PolarHBondContact O-N 3.32Å; K236-F238 HydrophobicContact CB-CE2 3.88Å; K236-F238 HydrophobicContact CB-CZ 3.94Å; K236-F238 HydrophobicContact CD-CZ 4.5Å
237R78.2Confident74.5Confident110 Ų11059.4 Ų59.442%0.41529%0.288SS..EExtended strand (participates in β ladder)trans-108.6153.7175.6-56.9178.771.4139.8-0.9109.7Q227 F229 Q230Q227-R237 HydrophobicContact CB-CB 3.68Å; Q227-R237 PolarHBondContact O-NE 2.98Å; Q227-R237 PolarHBondContact O-NH2 3.49Å; Q227-R237 VanDerWaalsContact O-NH2 3.07Å; Q227-R237 VanDerWaalsContact OE1-C 3.27Å; Q227-R237 PolarHBondContact OE1-O 3.4Å; F229-R237 CarbonylContact O-C 3.31Å; F229-R237 WeakPolarHBondContact O-CA 3.49Å; Q230-R237 HydrophobicContact CB-CG 4.36Å; Q230-R237 HydrophobicContact CG-CG 4.26Å
238F76.8Confident74.2Confident27 Ų2759.1 Ų59.112%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-137.5147.1-178.1-60.7-84000110Q227 H228 F229 C231 K236 T240 L243 L244 H247Q227-F238 CarbonylContact C-O 3.56Å; Q227-F238 WeakPolarHBondContact CA-O 3.26Å; H228-F238 PolarHBondContact N-O 3.21Å; F229-F238 HydrophobicContact CB-CB 4.34Å; F229-F238 WeakPolarHBondContact CB-O 3.47Å; F229-F238 PolarHBondContact N-O 2.88Å; F229-F238 PolarHBondContact O-N 2.97Å; C231-F238 HydrophobicContact CB-CE2 4.27Å; K236-F238 HydrophobicContact CB-CE2 3.88Å; K236-F238 HydrophobicContact CB-CZ 3.94Å; K236-F238 HydrophobicContact CD-CZ 4.5Å; F238-T240 VanDerWaalsContact C-N 3.33Å; F238-L243 HydrophobicContact CB-CB 4.17Å; F238-L243 HydrophobicContact CD1-CB 4.11Å; F238-L243 HydrophobicContact CG-CB 4.44Å; F238-L244 HydrophobicContact CB-CB 4.28Å; F238-L244 HydrophobicContact CD2-CB 4.04Å; F238-L244 HydrophobicContact CD2-CD1 3.79Å; F238-L244 HydrophobicContact CE2-CD1 4.04Å; F238-L244 HydrophobicContact CG-CB 4.31Å; F238-H247 HydrophobicContact CE1-CB 3.82Å; F238-H247 HydrophobicContact CE2-CB 3.84Å; F238-H247 AromaticContact CE2-CD2 3.41Å; F238-H247 VanDerWaalsContact CE2-CD2 3.41Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.37Å; F238-H247 AromaticContact CE2-CG 3.56Å; F238-H247 HydrophobicContact CZ-CB 3.4Å; F238-H247 VanDerWaalsContact CZ-CB 3.4Å; F238-H247 AromaticContact CZ-CD2 3.48Å; F238-H247 VanDerWaalsContact CZ-CD2 3.48Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.26Å; F238-H247 AromaticContact CZ-CG 3.15Å; F238-H247 AromaticContact CZ-ND1 3.54Å; F238-H247 AromaticContact CZ-NE2 3.99Å
239A79.3Confident73.9Confident17 Ų1759.3 Ų59.314%0.1428%0.282CS..SBendtrans-73.2-23.1178.700000113.4R219 Q227R219-A239 HydrophobicContact CB-CB 4.21Å; R219-A239 WeakPolarHBondContact O-CB 3.44Å; Q227-A239 HydrophobicContact CG-CB 4.39Å
240T76.9Confident73.6Confident23 Ų2358.7 Ų58.714%0.14128%0.282CS..SBendtrans-140.2153.6179.8630000112.9F229 F238 R242 L243 L244F229-T240 VanDerWaalsContact CD2-C 3.43Å; F229-T240 VanDerWaalsContact CD2-CA 3.47Å; F238-T240 VanDerWaalsContact C-N 3.33Å; T240-R242 VanDerWaalsContact C-N 3.29Å; T240-R242 PolarHBondContact O-N 3.49Å; T240-L243 PolarHBondContact O-N 3.32Å; T240-L243 WeakPolarHBondContact OG1-CD1 3.49Å; T240-L243 VanDerWaalsContact OG1-CG 3.22Å; T240-L243 WeakPolarHBondContact OG1-CG 3.49Å; T240-L243 PolarHBondContact OG1-N 3.37Å; T240-L244 PolarHBondContact O-N 3.33Å; T240-L244 VanDerWaalsContact O-N 3.07Å
241E75.3Confident73.1Confident90 Ų9054.8 Ų54.842%0.42126%0.264SS..Hα-helixtrans-60.4-37.4176.4-162-151.9132.100112.3F229 L243 L244 R245F229-E241 HydrophobicContact CD1-CB 4.1Å; F229-E241 HydrophobicContact CD1-CG 4.4Å; F229-E241 HydrophobicContact CE1-CB 3.82Å; F229-E241 HydrophobicContact CE1-CG 4.26Å; F229-E241 HydrophobicContact CZ-CB 4.12Å; E241-L243 VanDerWaalsContact C-N 3.34Å; E241-L243 PolarHBondContact O-N 2.74Å; E241-L244 CarbonylContact O-C 3.49Å; E241-L244 PolarHBondContact O-N 3.28Å; E241-R245 WeakPolarHBondContact O-CB 3.38Å; E241-R245 PolarHBondContact O-N 2.8Å; E241-R245 IonicContact OE1-CZ 2.71Å; E241-R245 IonicContact OE1-NE 2.93Å; E241-R245 IonicContact OE1-NH2 3.86Å; E241-R245 PolarHBondContact OE1-NH2 3.39Å
242R78.5Confident73Confident104 Ų10454.9 Ų54.939%0.39226%0.264SS..Hα-helixtrans-57.7-46.1174.7175.3-176.1165.999.7-2.4111.5T212 D216 T240 R245 D246T212-R242 VanDerWaalsContact CG2-CZ 3.43Å; D216-R242 IonicContact OD1-NE 2.65Å; D216-R242 IonicContact OD2-CZ 3.88Å; D216-R242 IonicContact OD2-NE 3.23Å; D216-R242 PolarHBondContact OD2-NE 3.47Å; D216-R242 VanDerWaalsContact OD2-NE 3.13Å; D216-R242 IonicContact OD2-NH2 3.29Å; T240-R242 VanDerWaalsContact C-N 3.29Å; T240-R242 PolarHBondContact O-N 3.49Å; R242-R245 PolarHBondContact O-N 2.82Å; R242-D246 PolarHBondContact O-N 3.4Å
243L79.3Confident73Confident3 Ų352 Ų522%0.01624%0.243CC..Hα-helixtrans-66-39.6178.4-68.9175.7000111.5D216 R219 R220 F238 T240 E241 H247D216-L243 HydrophobicContact CB-CD2 4.13Å; R219-L243 HydrophobicContact CB-CD1 4.21Å; R220-L243 HydrophobicContact CG-CD1 4.1Å; R220-L243 HydrophobicContact CG-CD2 4.42Å; R220-L243 VanDerWaalsContact CZ-CD2 3.47Å; F238-L243 HydrophobicContact CB-CB 4.17Å; F238-L243 HydrophobicContact CD1-CB 4.11Å; F238-L243 HydrophobicContact CG-CB 4.44Å; T240-L243 PolarHBondContact O-N 3.32Å; T240-L243 WeakPolarHBondContact OG1-CD1 3.49Å; T240-L243 VanDerWaalsContact OG1-CG 3.22Å; T240-L243 WeakPolarHBondContact OG1-CG 3.49Å; T240-L243 PolarHBondContact OG1-N 3.37Å; E241-L243 VanDerWaalsContact C-N 3.34Å; E241-L243 PolarHBondContact O-N 2.74Å; L243-H247 VanDerWaalsContact O-CB 3.32Å; L243-H247 WeakPolarHBondContact O-CB 3.3Å; L243-H247 PolarHBondContact O-N 2.83Å
244L77.6Confident73.4Confident28 Ų2854.6 Ų54.615%0.14726%0.255CS..Hα-helixtrans-61.6-45.1171.9172.661000111F229 C231 F238 T240 E241 D246 H247 M248F229-L244 HydrophobicContact CB-CB 4.18Å; F229-L244 HydrophobicContact CB-CD2 3.99Å; C231-L244 HydrophobicContact CB-CD1 3.7Å; F238-L244 HydrophobicContact CB-CB 4.28Å; F238-L244 HydrophobicContact CD2-CB 4.04Å; F238-L244 HydrophobicContact CD2-CD1 3.79Å; F238-L244 HydrophobicContact CE2-CD1 4.04Å; F238-L244 HydrophobicContact CG-CB 4.31Å; T240-L244 PolarHBondContact O-N 3.33Å; T240-L244 VanDerWaalsContact O-N 3.07Å; E241-L244 CarbonylContact O-C 3.49Å; E241-L244 PolarHBondContact O-N 3.28Å; L244-D246 PolarHBondContact O-N 2.96Å; L244-H247 CarbonylContact O-C 3.4Å; L244-H247 WeakPolarHBondContact O-CA 3.41Å; L244-H247 WeakPolarHBondContact O-CB 3.46Å; L244-H247 PolarHBondContact O-N 2.78Å; L244-H247 VanDerWaalsContact O-N 3.13Å; L244-M248 HydrophobicContact CD1-CG 4.06Å; L244-M248 HydrophobicContact CD1-SD 4.4Å; L244-M248 HydrophobicContact CG-CG 4.29Å; L244-M248 WeakPolarHBondContact O-CB 3.48Å; L244-M248 VanDerWaalsContact O-CG 3.26Å; L244-M248 WeakPolarHBondContact O-CG 3.28Å; L244-M248 PolarHBondContact O-N 3.43Å
245R75.6Confident73.5Confident103 Ų10358.1 Ų58.139%0.38927%0.265SS..Hα-helixtrans-62.8-43.7179.2-166.9-173.6-55.8169.32.2112.1E241 R242 H247 M248 R249E241-R245 WeakPolarHBondContact O-CB 3.38Å; E241-R245 PolarHBondContact O-N 2.8Å; E241-R245 IonicContact OE1-CZ 2.71Å; E241-R245 IonicContact OE1-NE 2.93Å; E241-R245 IonicContact OE1-NH2 3.86Å; E241-R245 PolarHBondContact OE1-NH2 3.39Å; R242-R245 PolarHBondContact O-N 2.82Å; R245-H247 VanDerWaalsContact C-N 3.29Å; R245-H247 PolarHBondContact O-N 3.06Å; R245-M248 WeakPolarHBondContact O-CB 3.41Å; R245-M248 PolarHBondContact O-N 3.25Å; R245-R249 PolarHBondContact O-N 3.28Å
246D75.6Confident73.9Confident33 Ų3361.2 Ų61.218%0.17627%0.268CS..Hα-helixtrans-62.2-40.8173.4-76.4-3.2000110.8R242 L244 M248 R249 N250R242-D246 PolarHBondContact O-N 3.4Å; L244-D246 PolarHBondContact O-N 2.96Å; D246-M248 VanDerWaalsContact C-N 3.34Å; D246-R249 PolarHBondContact O-N 3.32Å; D246-R249 IonicContact OD1-CZ 3.91Å; D246-R249 VanDerWaalsContact OD1-CZ 3.29Å; D246-R249 IonicContact OD1-NH1 2.73Å; D246-R249 PolarHBondContact OD1-NH1 2.93Å; D246-R249 IonicContact OD1-NH2 3.72Å; D246-R249 PolarHBondContact OD1-NH2 3.44Å; D246-N250 PolarHBondContact O-ND2 2.64Å
247H77.4Confident74.3Confident24 Ų2455.6 Ų55.611%0.11124%0.244CC..Hα-helixtrans-63.2-41.1174.2171.970.9000112.2C234 F238 L243 L244 R245 R249 N250 H251C234-H247 PolarHBondContact SG-NE2 2.98Å; F238-H247 HydrophobicContact CE1-CB 3.82Å; F238-H247 HydrophobicContact CE2-CB 3.84Å; F238-H247 AromaticContact CE2-CD2 3.41Å; F238-H247 VanDerWaalsContact CE2-CD2 3.41Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.37Å; F238-H247 AromaticContact CE2-CG 3.56Å; F238-H247 HydrophobicContact CZ-CB 3.4Å; F238-H247 VanDerWaalsContact CZ-CB 3.4Å; F238-H247 AromaticContact CZ-CD2 3.48Å; F238-H247 VanDerWaalsContact CZ-CD2 3.48Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.26Å; F238-H247 AromaticContact CZ-CG 3.15Å; F238-H247 AromaticContact CZ-ND1 3.54Å; F238-H247 AromaticContact CZ-NE2 3.99Å; L243-H247 VanDerWaalsContact O-CB 3.32Å; L243-H247 WeakPolarHBondContact O-CB 3.3Å; L243-H247 PolarHBondContact O-N 2.83Å; L244-H247 CarbonylContact O-C 3.4Å; L244-H247 WeakPolarHBondContact O-CA 3.41Å; L244-H247 WeakPolarHBondContact O-CB 3.46Å; L244-H247 PolarHBondContact O-N 2.78Å; L244-H247 VanDerWaalsContact O-N 3.13Å; R245-H247 VanDerWaalsContact C-N 3.29Å; R245-H247 PolarHBondContact O-N 3.06Å; H247-R249 VanDerWaalsContact C-N 3.25Å; H247-R249 PolarHBondContact O-N 3.33Å; H247-N250 WeakPolarHBondContact CA-ND2 3.36Å; H247-N250 VanDerWaalsContact O-CB 3.24Å; H247-N250 WeakPolarHBondContact O-CB 3.31Å; H247-N250 PolarHBondContact O-N 2.99Å; H247-N250 PolarHBondContact O-ND2 3.26Å; H247-H251 AromaticContact CD2-NE2 3.68Å; H247-H251 AromaticContact CE1-NE2 3.54Å; H247-H251 AromaticContact NE2-CD2 3.68Å; H247-H251 AromaticContact NE2-CE1 3.83Å; H247-H251 AromaticContact NE2-NE2 2.88Å; H247-H251 PolarHBondContact NE2-NE2 3.02Å
248M70.9Confident74.3Confident18 Ų1855.2 Ų55.29%0.08926%0.257CS..Hα-helixtrans-59.7-33.9-179.7-83.3-47.6-49.900112.8H233 L244 R245 D246 N250 H251 L401H233-M248 WeakPolarHBondContact CD2-CE 3.29Å; H233-M248 VanDerWaalsContact CD2-SD 3.51Å; H233-M248 VanDerWaalsContact NE2-CE 3.26Å; H233-M248 WeakPolarHBondContact NE2-CE 3.49Å; L244-M248 HydrophobicContact CD1-CG 4.06Å; L244-M248 HydrophobicContact CD1-SD 4.4Å; L244-M248 HydrophobicContact CG-CG 4.29Å; L244-M248 WeakPolarHBondContact O-CB 3.48Å; L244-M248 VanDerWaalsContact O-CG 3.26Å; L244-M248 WeakPolarHBondContact O-CG 3.28Å; L244-M248 PolarHBondContact O-N 3.43Å; R245-M248 WeakPolarHBondContact O-CB 3.41Å; R245-M248 PolarHBondContact O-N 3.25Å; D246-M248 VanDerWaalsContact C-N 3.34Å; M248-N250 PolarHBondContact O-N 2.96Å; M248-H251 HydrophobicContact CE-CB 4.22Å; M248-H251 PolarHBondContact O-N 3.49Å; M248-L401 HydrophobicContact CE-CD2 4.06Å
249R70.6Confident74.3Confident136 Ų13659.1 Ų59.151%0.51328%0.278SS..THydrogen-bonded Turntrans-59.7-26.1173-61.3-169.7-162.3109.110.8112.9R245 D246 H247 H251 V252R245-R249 PolarHBondContact O-N 3.28Å; D246-R249 PolarHBondContact O-N 3.32Å; D246-R249 IonicContact OD1-CZ 3.91Å; D246-R249 VanDerWaalsContact OD1-CZ 3.29Å; D246-R249 IonicContact OD1-NH1 2.73Å; D246-R249 PolarHBondContact OD1-NH1 2.93Å; D246-R249 IonicContact OD1-NH2 3.72Å; D246-R249 PolarHBondContact OD1-NH2 3.44Å; H247-R249 VanDerWaalsContact C-N 3.25Å; H247-R249 PolarHBondContact O-N 3.33Å; R249-H251 VanDerWaalsContact C-N 3.27Å; R249-H251 PolarHBondContact O-N 3.3Å; R249-V252 PolarHBondContact O-N 2.82Å
250N67.4Low74.3Confident66 Ų6660.3 Ų60.335%0.35329%0.285SS..THydrogen-bonded Turntrans-74.9-16.7176.8-53.4-59.6000113.4D246 H247 M248 P265 L266D246-N250 PolarHBondContact O-ND2 2.64Å; H247-N250 WeakPolarHBondContact CA-ND2 3.36Å; H247-N250 VanDerWaalsContact O-CB 3.24Å; H247-N250 WeakPolarHBondContact O-CB 3.31Å; H247-N250 PolarHBondContact O-N 2.99Å; H247-N250 PolarHBondContact O-ND2 3.26Å; M248-N250 PolarHBondContact O-N 2.96Å; N250-P265 WeakPolarHBondContact O-CB 3.5Å; N250-L266 VanDerWaalsContact OD1-CD1 3.22Å; N250-L266 WeakPolarHBondContact OD1-CD1 3.36Å
251H65.4Low74.1Confident35 Ų3564.7 Ų64.716%0.16231%0.308CS..THydrogen-bonded Turntrans-86.4-22.2175.6-70.1-59.3000112.5C231 H247 M248 R249C231-H251 PolarHBondContact SG-NE2 3.38Å; C231-H251 VanDerWaalsContact SG-NE2 3.39Å; H247-H251 AromaticContact CD2-NE2 3.68Å; H247-H251 AromaticContact CE1-NE2 3.54Å; H247-H251 AromaticContact NE2-CD2 3.68Å; H247-H251 AromaticContact NE2-CE1 3.83Å; H247-H251 AromaticContact NE2-NE2 2.88Å; H247-H251 PolarHBondContact NE2-NE2 3.02Å; M248-H251 HydrophobicContact CE-CB 4.22Å; M248-H251 PolarHBondContact O-N 3.49Å; R249-H251 VanDerWaalsContact C-N 3.27Å; R249-H251 PolarHBondContact O-N 3.3Å
252V67.7Low74Confident5 Ų561 Ų613%0.0329%0.291CS..SBendtrans-90.3123.9179-171.90000108.6R249 H254 P265 L401R249-V252 PolarHBondContact O-N 2.82Å; V252-H254 WeakPolarHBondContact CB-CE1 3.37Å; V252-H254 WeakPolarHBondContact CG1-CE1 3.49Å; V252-H254 WeakPolarHBondContact CG1-NE2 3.33Å; V252-H254 PolarHBondContact O-ND1 3.07Å; V252-P265 VanDerWaalsContact O-CA 3.3Å; V252-P265 WeakPolarHBondContact O-CA 3.23Å; V252-P265 WeakPolarHBondContact O-CB 3.28Å; V252-L401 HydrophobicContact CG2-CD2 3.57Å
253N68.6Low73.7Confident20 Ų2057 Ų5711%0.10728%0.278CS..BIsolated β-bridgetrans-93.9101.2176.4-56.2-51.4000110T263 C264 P265N253-T263 WeakPolarHBondContact CB-OG1 3.31Å; N253-C264 WeakPolarHBondContact CA-O 3.5Å; N253-P265 VanDerWaalsContact OD1-CD 3.23Å; N253-P265 WeakPolarHBondContact OD1-CD 3.49Å
254H68.6Low73.3Confident70 Ų7057.4 Ų57.432%0.32428%0.28SS..  trans-92.6-26.2179.1-57.689.5000113.5V252 C264 S398 T402V252-H254 WeakPolarHBondContact CB-CE1 3.37Å; V252-H254 WeakPolarHBondContact CG1-CE1 3.49Å; V252-H254 WeakPolarHBondContact CG1-NE2 3.33Å; V252-H254 PolarHBondContact O-ND1 3.07Å; H254-C264 PolarHBondContact N-O 3.22Å; H254-S398 WeakPolarHBondContact CD2-CB 3.41Å; H254-T402 PolarHBondContact NE2-OG1 3.47Å
255Y71.9Confident73Confident99 Ų9957.3 Ų57.339%0.38828%0.282SS..EExtended strand (participates in β ladder)trans-98.5104-167.3-60.9-83.2000111T263 C264 P265 P267Y255-T263 CarbonylContact O-C 3.5Å; Y255-T263 WeakPolarHBondContact O-CA 2.97Å; Y255-C264 WeakPolarHBondContact CB-O 3.4Å; Y255-C264 PolarHBondContact N-O 2.89Å; Y255-C264 PolarHBondContact O-N 2.86Å; Y255-P265 WeakPolarHBondContact CE2-O 3.46Å; Y255-P267 HydrophobicContact CD1-CG 4.35Å; Y255-P267 HydrophobicContact CD2-CG 4.49Å; Y255-P267 HydrophobicContact CE1-CB 4.44Å; Y255-P267 HydrophobicContact CE1-CG 3.72Å; Y255-P267 VanDerWaalsContact CE2-CD 3.48Å; Y255-P267 HydrophobicContact CE2-CG 3.91Å; Y255-P267 VanDerWaalsContact CZ-CG 3.48Å
256K78.2Confident73.1Confident147 Ų14755.2 Ų55.264%0.63928%0.277SS*.EExtended strand (participates in β ladder)trans-80.3137.1175.6-69.7-177179.1-169.20110.9T263K256-T263 HydrophobicContact CG-CG2 3.82Å
257C79.9Confident73.2Confident9 Ų957 Ų576%0.06129%0.291CS..  trans-72.4134.6169.4-173.90000109.6L259 C260 M262 L270 H278C257-L259 PolarHBondContact O-N 3.48Å; C257-L259 PolarHBondContact SG-N 3.11Å; C257-C260 WeakPolarHBondContact CB-O 3.26Å; C257-M262 HydrophobicContact CB-CB 4.22Å; C257-M262 WeakPolarHBondContact CB-O 3.41Å; C257-M262 PolarHBondContact N-O 2.9Å; C257-L270 HydrophobicContact CB-CD1 3.71Å; C257-H278 PolarHBondContact SG-NE2 3.06Å
258P79.1Confident73.3Confident103 Ų10358.9 Ų58.967%0.66931%0.307SS*.SBendtrans-74.2-14.1176.827.5-32.6000113.1M274P258-M274 HydrophobicContact CG-CE 4.25Å
259L77.6Confident73.8Confident108 Ų10860.2 Ų60.257%0.56532%0.318SS*.SBendtrans-109.2-7.5-172.9-59.3175.2000113.4C257 M274 H278C257-L259 PolarHBondContact O-N 3.48Å; C257-L259 PolarHBondContact SG-N 3.11Å; L259-M274 HydrophobicContact CD1-CE 4.49Å; L259-H278 VanDerWaalsContact CB-CE1 3.49Å; L259-H278 WeakPolarHBondContact CB-CE1 3.46Å; L259-H278 HydrophobicContact CD1-CB 3.53Å
260C78.6Confident74.4Confident43 Ų4354.9 Ų54.929%0.29130%0.299SS..SBendtrans-161170.1172.569.70000110.8C257 M262 H273 H278C257-C260 WeakPolarHBondContact CB-O 3.26Å; C260-M262 PolarHBondContact O-N 3.32Å; C260-M262 WeakPolarHBondContact SG-CB 3.14Å; C260-H273 PolarHBondContact SG-NE2 3.44Å; C260-H278 PolarHBondContact SG-NE2 2.67Å
261D72.3Confident75.1Confident115 Ų11560.8 Ų60.862%0.61532%0.317SS*.SBendtrans-71.58.8-178.8-55.8-37.9000114.5T263 G375D261-T263 PolarHBondContact O-N 3.37Å; D261-G375 VanDerWaalsContact C-CA 3.45Å
262M72.6Confident75.9Confident13 Ų1362.8 Ų62.86%0.06433%0.329CS..  trans-67.3125.6-179178.97078.300111.1C257 C260 G375 P377C257-M262 HydrophobicContact CB-CB 4.22Å; C257-M262 WeakPolarHBondContact CB-O 3.41Å; C257-M262 PolarHBondContact N-O 2.9Å; C260-M262 PolarHBondContact O-N 3.32Å; C260-M262 WeakPolarHBondContact SG-CB 3.14Å; M262-G375 WeakPolarHBondContact CB-O 3.35Å; M262-G375 WeakPolarHBondContact CE-O 3.28Å; M262-P377 HydrophobicContact CE-CG 3.64Å
263T72.6Confident76.7Confident20 Ų2063.5 Ų63.512%0.12333%0.332CS..EExtended strand (participates in β ladder)trans-102.8133.3168.161.60000110.8N253 Y255 K256 D261N253-T263 WeakPolarHBondContact CB-OG1 3.31Å; Y255-T263 CarbonylContact O-C 3.5Å; Y255-T263 WeakPolarHBondContact O-CA 2.97Å; K256-T263 HydrophobicContact CG-CG2 3.82Å; D261-T263 PolarHBondContact O-N 3.37Å
264C71.6Confident77.4Confident10 Ų1065.6 Ų65.67%0.06834%0.342CS..EExtended strand (participates in β ladder)trans-116.2151.2176.6-67.80000111.4N253 H254 Y255 L270N253-C264 WeakPolarHBondContact CA-O 3.5Å; H254-C264 PolarHBondContact N-O 3.22Å; Y255-C264 WeakPolarHBondContact CB-O 3.4Å; Y255-C264 PolarHBondContact N-O 2.89Å; Y255-C264 PolarHBondContact O-N 2.86Å; C264-L270 HydrophobicContact CB-CB 4Å
265P70.8Confident78.1Confident27 Ų2766.4 Ų66.418%0.17534%0.342CS..SBendtrans-81.6-23.4178.531.7-32.8000113.2N250 V252 N253 Y255N250-P265 WeakPolarHBondContact O-CB 3.5Å; V252-P265 VanDerWaalsContact O-CA 3.3Å; V252-P265 WeakPolarHBondContact O-CA 3.23Å; V252-P265 WeakPolarHBondContact O-CB 3.28Å; N253-P265 VanDerWaalsContact OD1-CD 3.23Å; N253-P265 WeakPolarHBondContact OD1-CD 3.49Å; Y255-P265 WeakPolarHBondContact CE2-O 3.46Å
266L77.5Confident78.4Confident58 Ų5865.1 Ų65.130%0.30434%0.339SS..SBendtrans-127.8148.5-178.4-8183.4000111.6N250 S268 S269 L270N250-L266 VanDerWaalsContact OD1-CD1 3.22Å; N250-L266 WeakPolarHBondContact OD1-CD1 3.36Å; L266-S268 VanDerWaalsContact C-N 3.28Å; L266-S268 PolarHBondContact O-N 2.83Å; L266-S269 WeakPolarHBondContact O-CB 3.38Å; L266-S269 PolarHBondContact O-N 3.32Å; L266-S269 VanDerWaalsContact O-N 3.11Å; L266-L270 PolarHBondContact O-N 3.48Å
267P77.7Confident78.4Confident71 Ų7165.1 Ų65.146%0.46133%0.334SS..Hα-helixtrans-58.6-39.5172.7-19.428.9000112.5Y255 S269 L270 R271Y255-P267 HydrophobicContact CD1-CG 4.35Å; Y255-P267 HydrophobicContact CD2-CG 4.49Å; Y255-P267 HydrophobicContact CE1-CB 4.44Å; Y255-P267 HydrophobicContact CE1-CG 3.72Å; Y255-P267 VanDerWaalsContact CE2-CD 3.48Å; Y255-P267 HydrophobicContact CE2-CG 3.91Å; Y255-P267 VanDerWaalsContact CZ-CG 3.48Å; P267-S269 VanDerWaalsContact C-N 3.31Å; P267-S269 PolarHBondContact O-N 2.94Å; P267-L270 PolarHBondContact O-N 3.11Å; P267-R271 PolarHBondContact O-N 3.18Å
268S80.6Confident78.4Confident63 Ų6367.9 Ų67.944%0.44135%0.347SS..Hα-helixtrans-63.1-38.4176.955.50000112L266 R271 N272L266-S268 VanDerWaalsContact C-N 3.28Å; L266-S268 PolarHBondContact O-N 2.83Å; S268-R271 PolarHBondContact O-N 3.25Å; S268-N272 WeakPolarHBondContact O-CB 3.4Å; S268-N272 VanDerWaalsContact O-CG 3.23Å; S268-N272 PolarHBondContact O-N 3.22Å; S268-N272 PolarHBondContact O-ND2 3.3Å
269S81.2Confident78.5Confident47 Ų4765.1 Ų65.133%0.32933%0.329SS..Hα-helixtrans-67.7-38.8175.3-64.10000111.7L266 P267 N272 H273L266-S269 WeakPolarHBondContact O-CB 3.38Å; L266-S269 PolarHBondContact O-N 3.32Å; L266-S269 VanDerWaalsContact O-N 3.11Å; P267-S269 VanDerWaalsContact C-N 3.31Å; P267-S269 PolarHBondContact O-N 2.94Å; S269-N272 PolarHBondContact O-N 3Å; S269-H273 VanDerWaalsContact O-CB 3.32Å; S269-H273 WeakPolarHBondContact O-CB 3.37Å; S269-H273 PolarHBondContact O-N 3.05Å
270L82.8Confident78.6Confident23 Ų2368.5 Ų68.512%0.1234%0.342CS..Hα-helixtrans-65.1-45.8173.8178.961.1000111.6C257 C264 L266 P267 N272 H273 M274C257-L270 HydrophobicContact CB-CD1 3.71Å; C264-L270 HydrophobicContact CB-CB 4Å; L266-L270 PolarHBondContact O-N 3.48Å; P267-L270 PolarHBondContact O-N 3.11Å; L270-N272 VanDerWaalsContact C-N 3.32Å; L270-N272 PolarHBondContact O-N 2.97Å; L270-H273 WeakPolarHBondContact O-CB 3.39Å; L270-H273 PolarHBondContact O-N 3.5Å; L270-H273 VanDerWaalsContact O-N 3.15Å; L270-M274 HydrophobicContact CD1-CG 4.28Å; L270-M274 HydrophobicContact CG-SD 4.3Å; L270-M274 WeakPolarHBondContact O-CG 3.35Å; L270-M274 PolarHBondContact O-N 3.09Å
271R82.7Confident78.6Confident190 Ų19070.9 Ų70.972%0.71735%0.352SS*.Hα-helixtrans-56.9-47.7175.8-175.3-173.5-62.6-171.5-1.2111.1P267 S268 H273 M274 R275P267-R271 PolarHBondContact O-N 3.18Å; S268-R271 PolarHBondContact O-N 3.25Å; R271-H273 PolarHBondContact O-N 3.26Å; R271-M274 PolarHBondContact O-N 2.82Å; R271-R275 WeakPolarHBondContact O-CB 3.38Å; R271-R275 PolarHBondContact O-N 3.44Å
272N81.9Confident79Confident78 Ų7872.3 Ų72.342%0.41735%0.349SS..Hα-helixtrans-59.6-48.3175.4-74.1-11.9000110.7S268 S269 L270 M274 R275 F276S268-N272 WeakPolarHBondContact O-CB 3.4Å; S268-N272 VanDerWaalsContact O-CG 3.23Å; S268-N272 PolarHBondContact O-N 3.22Å; S268-N272 PolarHBondContact O-ND2 3.3Å; S269-N272 PolarHBondContact O-N 3Å; L270-N272 VanDerWaalsContact C-N 3.32Å; L270-N272 PolarHBondContact O-N 2.97Å; N272-M274 VanDerWaalsContact C-N 3.33Å; N272-M274 PolarHBondContact O-N 2.63Å; N272-R275 WeakPolarHBondContact O-CB 3.36Å; N272-R275 PolarHBondContact O-N 2.9Å; N272-F276 HydrophobicContact CB-CD2 4.3Å; N272-F276 HydrophobicContact CB-CE2 4.04Å; N272-F276 WeakPolarHBondContact O-CD2 3.4Å; N272-F276 PolarHBondContact O-N 3.16Å
273H83.6Confident79.4Confident19 Ų1974.5 Ų74.59%0.08836%0.364CS..Hα-helixtrans-54.1-48176.3167.681.3000112.1C260 S269 L270 R271 F276 R277 H278C260-H273 PolarHBondContact SG-NE2 3.44Å; S269-H273 VanDerWaalsContact O-CB 3.32Å; S269-H273 WeakPolarHBondContact O-CB 3.37Å; S269-H273 PolarHBondContact O-N 3.05Å; L270-H273 WeakPolarHBondContact O-CB 3.39Å; L270-H273 PolarHBondContact O-N 3.5Å; L270-H273 VanDerWaalsContact O-N 3.15Å; R271-H273 PolarHBondContact O-N 3.26Å; H273-F276 PolarHBondContact O-N 3.03Å; H273-R277 VanDerWaalsContact O-CB 3.27Å; H273-R277 WeakPolarHBondContact O-CB 3.37Å; H273-R277 PolarHBondContact O-N 3.11Å; H273-H278 AromaticContact NE2-CD2 3.74Å; H273-H278 AromaticContact NE2-NE2 3.41Å; H273-H278 PolarHBondContact NE2-NE2 2.83Å
274M83.2Confident79.9Confident65 Ų6576 Ų7632%0.3237%0.369SS..Hα-helixtrans-60.6-46.5176.6-69.4-179.869.300111.7P258 L259 L270 R271 N272 F276 R277 H278 S279P258-M274 HydrophobicContact CG-CE 4.25Å; L259-M274 HydrophobicContact CD1-CE 4.49Å; L270-M274 HydrophobicContact CD1-CG 4.28Å; L270-M274 HydrophobicContact CG-SD 4.3Å; L270-M274 WeakPolarHBondContact O-CG 3.35Å; L270-M274 PolarHBondContact O-N 3.09Å; R271-M274 PolarHBondContact O-N 2.82Å; N272-M274 VanDerWaalsContact C-N 3.33Å; N272-M274 PolarHBondContact O-N 2.63Å; M274-F276 VanDerWaalsContact C-N 3.34Å; M274-F276 PolarHBondContact O-N 3.05Å; M274-R277 PolarHBondContact O-N 2.7Å; M274-H278 CarbonylContact O-C 3.47Å; M274-H278 WeakPolarHBondContact O-CA 3.37Å; M274-H278 WeakPolarHBondContact O-CB 3.42Å; M274-H278 PolarHBondContact O-N 3.37Å; M274-S279 PolarHBondContact O-N 3.15Å
275R82.9Confident80.6Confident86 Ų8682.3 Ų82.333%0.32540%0.395SS..Hα-helixtrans-57-46175.7-169.4-178.2-173.4177.46111.9R271 N272 S279 P283 K294R271-R275 WeakPolarHBondContact O-CB 3.38Å; R271-R275 PolarHBondContact O-N 3.44Å; N272-R275 WeakPolarHBondContact O-CB 3.36Å; N272-R275 PolarHBondContact O-N 2.9Å; R275-S279 WeakPolarHBondContact O-CB 3.32Å; R275-P283 VanDerWaalsContact NH2-CG 3.28Å; R275-K294 VanDerWaalsContact CZ-O 3.23Å; R275-K294 PolarHBondContact NE-O 3Å; R275-K294 PolarHBondContact NH2-O 3.38Å; R275-K294 WeakPolarHBondContact O-CD 3.43Å; R275-K294 PolarHBondContact O-NZ 3.22Å; R275-K294 VanDerWaalsContact O-NZ 3.16Å
276F79.1Confident81.4Confident73 Ų7381.5 Ų81.532%0.3239%0.39SS..Hα-helixtrans-76.1-36.9-177.4-71-65.9000114.5N272 H273 M274 K294 N295N272-F276 HydrophobicContact CB-CD2 4.3Å; N272-F276 HydrophobicContact CB-CE2 4.04Å; N272-F276 WeakPolarHBondContact O-CD2 3.4Å; N272-F276 PolarHBondContact O-N 3.16Å; H273-F276 PolarHBondContact O-N 3.03Å; M274-F276 VanDerWaalsContact C-N 3.34Å; M274-F276 PolarHBondContact O-N 3.05Å; F276-K294 HydrophobicContact CD1-CB 4.13Å; F276-K294 HydrophobicContact CD1-CD 4.12Å; F276-K294 HydrophobicContact CE1-CB 3.94Å; F276-K294 PolarHBondContact O-NZ 3.38Å; F276-N295 WeakPolarHBondContact CE1-ND2 3.46Å; F276-N295 WeakPolarHBondContact CE1-OD1 3.46Å; F276-N295 WeakPolarHBondContact CZ-ND2 3.32Å; F276-N295 WeakPolarHBondContact CZ-OD1 3.35Å
277R78.1Confident81.7Confident146 Ų14686.6 Ų86.655%0.55142%0.418SS*.Hα-helixtrans-105-26.5-167.4-63.8-55.7-155.281.4-6.3114.5H273 M274 P377H273-R277 VanDerWaalsContact O-CB 3.27Å; H273-R277 WeakPolarHBondContact O-CB 3.37Å; H273-R277 PolarHBondContact O-N 3.11Å; M274-R277 PolarHBondContact O-N 2.7Å; R277-P377 VanDerWaalsContact NH2-CB 3.3Å
278H81Confident81.9Confident68 Ų6887.5 Ų87.532%0.31543%0.425SS..THydrogen-bonded Turntrans-120.4-25.2-172.4-64.1-63.2000113.6C257 L259 C260 H273 M274C257-H278 PolarHBondContact SG-NE2 3.06Å; L259-H278 VanDerWaalsContact CB-CE1 3.49Å; L259-H278 WeakPolarHBondContact CB-CE1 3.46Å; L259-H278 HydrophobicContact CD1-CB 3.53Å; C260-H278 PolarHBondContact SG-NE2 2.67Å; H273-H278 AromaticContact NE2-CD2 3.74Å; H273-H278 AromaticContact NE2-NE2 3.41Å; H273-H278 PolarHBondContact NE2-NE2 2.83Å; M274-H278 CarbonylContact O-C 3.47Å; M274-H278 WeakPolarHBondContact O-CA 3.37Å; M274-H278 WeakPolarHBondContact O-CB 3.42Å; M274-H278 PolarHBondContact O-N 3.37Å
279S80.3Confident82.2Confident44 Ų4486.7 Ų86.731%0.30842%0.419SS..  trans-85.1140.5170.6-176.10000110.7M274 R275 D281 K294M274-S279 PolarHBondContact O-N 3.15Å; R275-S279 WeakPolarHBondContact O-CB 3.32Å; S279-D281 VanDerWaalsContact OG-CB 3.26Å; S279-D281 WeakPolarHBondContact OG-CB 3.44Å; S279-D281 PolarHBondContact OG-N 3.04Å; S279-D281 VanDerWaalsContact OG-N 3.12Å; S279-K294 WeakPolarHBondContact O-CE 3.45Å; S279-K294 PolarHBondContact O-NZ 2.65Å
280E78.9Confident82.4Confident180 Ų18092.7 Ų92.784%0.84145%0.447SS*.  trans-91.3-5.5167.8-64.2-163.1156.200112.8R282E280-R282 PolarHBondContact O-N 3.33Å
281D79.6Confident82.4Confident93 Ų9396.4 Ų96.450%0.49746%0.46SS..  trans-61.8127.9-177.8-176.922.3000111.7S279 K294S279-D281 VanDerWaalsContact OG-CB 3.26Å; S279-D281 WeakPolarHBondContact OG-CB 3.44Å; S279-D281 PolarHBondContact OG-N 3.04Å; S279-D281 VanDerWaalsContact OG-N 3.12Å; D281-K294 WeakPolarHBondContact O-CG 3.41Å
282R80.3Confident82.6Confident144 Ų14488.7 Ų88.754%0.54344%0.435SS..  trans-127.875.5-179.8-67.3173.6-171.4-1726.7108.2E280 F284 S292 C293 K294E280-R282 PolarHBondContact O-N 3.33Å; R282-F284 PolarHBondContact O-N 3.08Å; R282-S292 WeakPolarHBondContact CD-O 3.44Å; R282-C293 CarbonylContact C-O 3.6Å; R282-C293 WeakPolarHBondContact CA-O 3.28Å; R282-K294 HydrophobicContact CG-CG 4.12Å
283P81.8Confident82.6Confident60 Ų6085.3 Ų85.339%0.3942%0.418SS..  trans-70.6-17.8-171.224.9-31.9000113.1R275R275-P283 VanDerWaalsContact NH2-CG 3.28Å
284F82.4Confident82.4Confident50 Ų5086.1 Ų86.122%0.21942%0.421CS..EExtended strand (participates in β ladder)trans-99.9103.3-178.2-56-71.9000110.2R282 S292 C293 K294 L296 L299R282-F284 PolarHBondContact O-N 3.08Å; F284-S292 CarbonylContact O-C 3.51Å; F284-S292 WeakPolarHBondContact O-CA 3.45Å; F284-C293 PolarHBondContact N-O 3.31Å; F284-C293 PolarHBondContact O-N 3.03Å; F284-K294 WeakPolarHBondContact CE2-O 3.17Å; F284-L296 HydrophobicContact CD1-CD2 3.44Å; F284-L296 VanDerWaalsContact CD1-CD2 3.44Å; F284-L296 HydrophobicContact CD1-CG 3.8Å; F284-L296 HydrophobicContact CE1-CD1 4.06Å; F284-L296 HydrophobicContact CE1-CD2 3.43Å; F284-L296 VanDerWaalsContact CE1-CD2 3.43Å; F284-L296 HydrophobicContact CE1-CG 3.42Å; F284-L296 VanDerWaalsContact CE1-CG 3.42Å; F284-L296 HydrophobicContact CE2-CG 4.38Å; F284-L296 HydrophobicContact CG-CD2 4.3Å; F284-L296 HydrophobicContact CG-CG 4.44Å; F284-L296 HydrophobicContact CZ-CD1 4.26Å; F284-L296 HydrophobicContact CZ-CD2 4.26Å; F284-L296 HydrophobicContact CZ-CG 3.73Å; F284-L299 HydrophobicContact CB-CB 4.4Å; F284-L299 HydrophobicContact CB-CD2 4.06Å
285K86Confident82.4Confident143 Ų14384.7 Ų84.762%0.62242%0.415SS*.EExtended strand (participates in β ladder)trans-96.2149.5177.4-55.4-170.3177.8173.40110.4S292K285-S292 WeakPolarHBondContact CG-OG 3.46Å
286C87.7Confident82.3Confident10 Ų1086 Ų867%0.06843%0.427CS..  trans-85.8133.5169.3-179.30000109C288 Y291 L299 H302 H306C286-C288 VanDerWaalsContact C-N 3.27Å; C286-C288 PolarHBondContact O-N 3.07Å; C286-C288 PolarHBondContact SG-N 3.1Å; C286-C288 VanDerWaalsContact SG-N 3.39Å; C286-Y291 WeakPolarHBondContact CB-O 3.44Å; C286-Y291 PolarHBondContact N-O 2.64Å; C286-L299 HydrophobicContact CB-CD1 3.97Å; C286-H302 PolarHBondContact SG-NE2 3.16Å; C286-H302 VanDerWaalsContact SG-NE2 3.42Å; C286-H306 PolarHBondContact SG-NE2 2.84Å; C286-H306 VanDerWaalsContact SG-NE2 3.44Å
287D84.6Confident82.5Confident165 Ų16588 Ų8888%0.88244%0.441SS*.SBendtrans-77.7-17.6177.8-57.3-41.1000112.3
288C81.3Confident82.7Confident90 Ų9083.8 Ų83.861%0.60843%0.429SS*.SBendtrans-91.9-14.8-178.2-50.30000113.7C286C286-C288 VanDerWaalsContact C-N 3.27Å; C286-C288 PolarHBondContact O-N 3.07Å; C286-C288 PolarHBondContact SG-N 3.1Å; C286-C288 VanDerWaalsContact SG-N 3.39Å
289C86.6Confident82.8Confident47 Ų4781.6 Ų81.632%0.31842%0.419SS..SBendtrans-162.9171.3179.470.80000112.4Y291 H302 H306C289-Y291 PolarHBondContact O-N 3.34Å; C289-Y291 WeakPolarHBondContact SG-CB 3.21Å; C289-H302 VanDerWaalsContact SG-CE1 3.56Å; C289-H302 PolarHBondContact SG-NE2 2.85Å; C289-H306 PolarHBondContact SG-NE2 2.85Å
290D85.4Confident82.9Confident172 Ų17284.8 Ų84.892%0.9243%0.429SS*.SBendtrans-68.66.9-179.1-60.1-37.9000115.2S292D290-S292 PolarHBondContact O-N 3.38Å
291Y84Confident82.8Confident101 Ų10181.4 Ų81.440%0.39641%0.412SS..  trans-70.2129.6179.2-175.5-100.7000111.1C286 C289 C293 H302C286-Y291 WeakPolarHBondContact CB-O 3.44Å; C286-Y291 PolarHBondContact N-O 2.64Å; C289-Y291 PolarHBondContact O-N 3.34Å; C289-Y291 WeakPolarHBondContact SG-CB 3.21Å; Y291-C293 HydrophobicContact CE1-CB 3.77Å; Y291-H302 WeakPolarHBondContact CB-NE2 3.45Å; Y291-H302 HydrophobicContact CD1-CB 3.87Å; Y291-H302 AromaticContact CD1-CD2 3.41Å; Y291-H302 VanDerWaalsContact CD1-CD2 3.41Å; Y291-H302 WeakPolarHBondContact CD1-CD2 3.39Å; Y291-H302 AromaticContact CD1-CE1 3.82Å; Y291-H302 AromaticContact CD1-CG 3.3Å; Y291-H302 AromaticContact CD1-ND1 3.59Å; Y291-H302 AromaticContact CD1-NE2 3.73Å; Y291-H302 HydrophobicContact CE1-CB 3.63Å; Y291-H302 AromaticContact CE1-CG 3.59Å; Y291-H302 AromaticContact CE1-ND1 3.97Å; Y291-H302 AromaticContact CG-CE1 3.66Å; Y291-H302 AromaticContact CG-CG 3.93Å; Y291-H302 AromaticContact CG-ND1 3.73Å; Y291-H302 AromaticContact CG-NE2 3.82Å
292S85.3Confident83Confident28 Ų2878.3 Ų78.320%0.19639%0.394CS..EExtended strand (participates in β ladder)trans-131.9143.1174.6-52.20000109.9R282 F284 K285 D290R282-S292 WeakPolarHBondContact CD-O 3.44Å; F284-S292 CarbonylContact O-C 3.51Å; F284-S292 WeakPolarHBondContact O-CA 3.45Å; K285-S292 WeakPolarHBondContact CG-OG 3.46Å; D290-S292 PolarHBondContact O-N 3.38Å
293C82.4Confident83Confident8 Ų874.2 Ų74.25%0.05438%0.383CS..EExtended strand (participates in β ladder)trans-140.1173.3-177.470.10000112.6R282 F284 Y291 N295 D298 L299R282-C293 CarbonylContact C-O 3.6Å; R282-C293 WeakPolarHBondContact CA-O 3.28Å; F284-C293 PolarHBondContact N-O 3.31Å; F284-C293 PolarHBondContact O-N 3.03Å; Y291-C293 HydrophobicContact CE1-CB 3.77Å; C293-N295 PolarHBondContact SG-O 3.31Å; C293-D298 HydrophobicContact CB-CB 4.4Å; C293-L299 VanDerWaalsContact SG-CB 3.59Å; C293-L299 PolarHBondContact SG-N 2.68Å
294K79.9Confident82.7Confident36 Ų3673.9 Ų73.916%0.15738%0.378CS..SBendtrans-93.3-10.8-172.3-56.3-170.1175.9-178.50113.7R275 F276 S279 D281 R282 F284R275-K294 VanDerWaalsContact CZ-O 3.23Å; R275-K294 PolarHBondContact NE-O 3Å; R275-K294 PolarHBondContact NH2-O 3.38Å; R275-K294 WeakPolarHBondContact O-CD 3.43Å; R275-K294 PolarHBondContact O-NZ 3.22Å; R275-K294 VanDerWaalsContact O-NZ 3.16Å; F276-K294 HydrophobicContact CD1-CB 4.13Å; F276-K294 HydrophobicContact CD1-CD 4.12Å; F276-K294 HydrophobicContact CE1-CB 3.94Å; F276-K294 PolarHBondContact O-NZ 3.38Å; S279-K294 WeakPolarHBondContact O-CE 3.45Å; S279-K294 PolarHBondContact O-NZ 2.65Å; D281-K294 WeakPolarHBondContact O-CG 3.41Å; R282-K294 HydrophobicContact CG-CG 4.12Å; F284-K294 WeakPolarHBondContact CE2-O 3.17Å
295N81.9Confident82.3Confident34 Ų3474.7 Ų74.718%0.18239%0.387CS..  trans-138.7145.3-175.6-59.8-19.7000112.7F276 C293 I297 D298 L299F276-N295 WeakPolarHBondContact CE1-ND2 3.46Å; F276-N295 WeakPolarHBondContact CE1-OD1 3.46Å; F276-N295 WeakPolarHBondContact CZ-ND2 3.32Å; F276-N295 WeakPolarHBondContact CZ-OD1 3.35Å; C293-N295 PolarHBondContact SG-O 3.31Å; N295-I297 VanDerWaalsContact C-N 3.31Å; N295-I297 PolarHBondContact O-N 3.36Å; N295-D298 HydrophobicContact CB-CB 4.3Å; N295-D298 PolarHBondContact ND2-OD2 3.39Å; N295-D298 PolarHBondContact O-N 2.84Å; N295-L299 PolarHBondContact O-N 2.71Å; N295-L299 VanDerWaalsContact O-N 3.07Å
296L81.1Confident81.9Confident113 Ų11371.6 Ų71.659%0.59238%0.375SS*.Hα-helixtrans-57-40.5169-72.6165.9000113.4F284 D298 L299 Q300F284-L296 HydrophobicContact CD1-CD2 3.44Å; F284-L296 VanDerWaalsContact CD1-CD2 3.44Å; F284-L296 HydrophobicContact CD1-CG 3.8Å; F284-L296 HydrophobicContact CE1-CD1 4.06Å; F284-L296 HydrophobicContact CE1-CD2 3.43Å; F284-L296 VanDerWaalsContact CE1-CD2 3.43Å; F284-L296 HydrophobicContact CE1-CG 3.42Å; F284-L296 VanDerWaalsContact CE1-CG 3.42Å; F284-L296 HydrophobicContact CE2-CG 4.38Å; F284-L296 HydrophobicContact CG-CD2 4.3Å; F284-L296 HydrophobicContact CG-CG 4.44Å; F284-L296 HydrophobicContact CZ-CD1 4.26Å; F284-L296 HydrophobicContact CZ-CD2 4.26Å; F284-L296 HydrophobicContact CZ-CG 3.73Å; L296-D298 VanDerWaalsContact C-N 3.26Å; L296-D298 PolarHBondContact O-N 3.43Å; L296-L299 WeakPolarHBondContact O-CB 3.4Å; L296-L299 PolarHBondContact O-N 3.15Å; L296-Q300 PolarHBondContact O-N 3.37Å
297I83.2Confident81.1Confident117 Ų11773.9 Ų73.960%0.639%0.391SS*.Hα-helixtrans-63.7-35.9-178.9-58.3170.6000111.4N295 K301N295-I297 VanDerWaalsContact C-N 3.31Å; N295-I297 PolarHBondContact O-N 3.36Å; I297-K301 WeakPolarHBondContact O-CG 3.49Å; I297-K301 PolarHBondContact O-N 3.32Å
298D82.4Confident80.1Confident56 Ų5675.2 Ų75.230%0.29939%0.392SS..Hα-helixtrans-79.4-29.6179.4-62.1-39.4000111.1C293 N295 L296 K301 H302C293-D298 HydrophobicContact CB-CB 4.4Å; N295-D298 HydrophobicContact CB-CB 4.3Å; N295-D298 PolarHBondContact ND2-OD2 3.39Å; N295-D298 PolarHBondContact O-N 2.84Å; L296-D298 VanDerWaalsContact C-N 3.26Å; L296-D298 PolarHBondContact O-N 3.43Å; D298-K301 IonicContact OD1-NZ 2.58Å; D298-H302 WeakPolarHBondContact O-CB 3.07Å; D298-H302 PolarHBondContact O-N 2.74Å; D298-H302 VanDerWaalsContact O-N 3.14Å
299L83.5Confident79.4Confident22 Ų2278.2 Ų78.212%0.11540%0.397CS..Hα-helixtrans-64-48.2168.4-177.260.4000110.5F284 C286 C293 N295 L296 K301 H302 L303F284-L299 HydrophobicContact CB-CB 4.4Å; F284-L299 HydrophobicContact CB-CD2 4.06Å; C286-L299 HydrophobicContact CB-CD1 3.97Å; C293-L299 VanDerWaalsContact SG-CB 3.59Å; C293-L299 PolarHBondContact SG-N 2.68Å; N295-L299 PolarHBondContact O-N 2.71Å; N295-L299 VanDerWaalsContact O-N 3.07Å; L296-L299 WeakPolarHBondContact O-CB 3.4Å; L296-L299 PolarHBondContact O-N 3.15Å; L299-K301 PolarHBondContact O-N 2.79Å; L299-H302 CarbonylContact O-C 3.59Å; L299-H302 WeakPolarHBondContact O-CA 3.33Å; L299-H302 VanDerWaalsContact O-CB 3.31Å; L299-H302 WeakPolarHBondContact O-CB 3.5Å; L299-H302 PolarHBondContact O-N 3.09Å; L299-L303 HydrophobicContact CD1-CG 4.42Å; L299-L303 HydrophobicContact CG-CD1 4.26Å; L299-L303 HydrophobicContact CG-CG 4.35Å; L299-L303 WeakPolarHBondContact O-CG 3.22Å; L299-L303 PolarHBondContact O-N 3.18Å
300Q81.9Confident78.4Confident111 Ų11178 Ų7852%0.51940%0.395SS..Hα-helixtrans-57.1-48.2179.5-173.161.145.800111.8L296 H302 L303 D304L296-Q300 PolarHBondContact O-N 3.37Å; Q300-H302 PolarHBondContact O-N 3.26Å; Q300-L303 WeakPolarHBondContact O-CB 3.33Å; Q300-L303 PolarHBondContact O-N 2.73Å; Q300-L303 VanDerWaalsContact O-N 3.07Å; Q300-D304 PolarHBondContact O-N 3.26Å
301K78.3Confident77.6Confident109 Ų10973.4 Ų73.447%0.47438%0.381SS..Hα-helixtrans-61.3-29.8175.4-71.2171.9-170.1160.20113.2I297 D298 L299I297-K301 WeakPolarHBondContact O-CG 3.49Å; I297-K301 PolarHBondContact O-N 3.32Å; D298-K301 IonicContact OD1-NZ 2.58Å; L299-K301 PolarHBondContact O-N 2.79Å
302H82.6Confident77.2Confident28 Ų2872.5 Ų72.513%0.1338%0.377CS..Hα-helixtrans-75.1-39.4174.8169.675000111C286 C289 Y291 D298 L299 Q300 D304 T305 H306C286-H302 PolarHBondContact SG-NE2 3.16Å; C286-H302 VanDerWaalsContact SG-NE2 3.42Å; C289-H302 VanDerWaalsContact SG-CE1 3.56Å; C289-H302 PolarHBondContact SG-NE2 2.85Å; Y291-H302 WeakPolarHBondContact CB-NE2 3.45Å; Y291-H302 HydrophobicContact CD1-CB 3.87Å; Y291-H302 AromaticContact CD1-CD2 3.41Å; Y291-H302 VanDerWaalsContact CD1-CD2 3.41Å; Y291-H302 WeakPolarHBondContact CD1-CD2 3.39Å; Y291-H302 AromaticContact CD1-CE1 3.82Å; Y291-H302 AromaticContact CD1-CG 3.3Å; Y291-H302 AromaticContact CD1-ND1 3.59Å; Y291-H302 AromaticContact CD1-NE2 3.73Å; Y291-H302 HydrophobicContact CE1-CB 3.63Å; Y291-H302 AromaticContact CE1-CG 3.59Å; Y291-H302 AromaticContact CE1-ND1 3.97Å; Y291-H302 AromaticContact CG-CE1 3.66Å; Y291-H302 AromaticContact CG-CG 3.93Å; Y291-H302 AromaticContact CG-ND1 3.73Å; Y291-H302 AromaticContact CG-NE2 3.82Å; D298-H302 WeakPolarHBondContact O-CB 3.07Å; D298-H302 PolarHBondContact O-N 2.74Å; D298-H302 VanDerWaalsContact O-N 3.14Å; L299-H302 CarbonylContact O-C 3.59Å; L299-H302 WeakPolarHBondContact O-CA 3.33Å; L299-H302 VanDerWaalsContact O-CB 3.31Å; L299-H302 WeakPolarHBondContact O-CB 3.5Å; L299-H302 PolarHBondContact O-N 3.09Å; Q300-H302 PolarHBondContact O-N 3.26Å; H302-D304 PolarHBondContact O-N 2.76Å; H302-T305 WeakPolarHBondContact O-CA 3.32Å; H302-T305 VanDerWaalsContact O-CB 3.3Å; H302-T305 WeakPolarHBondContact O-CB 3.5Å; H302-T305 PolarHBondContact O-N 3.12Å; H302-T305 PolarHBondContact O-OG1 3.19Å; H302-H306 AromaticContact CD2-NE2 3.88Å; H302-H306 AromaticContact CE1-NE2 3.54Å; H302-H306 AromaticContact NE2-CD2 3.7Å; H302-H306 AromaticContact NE2-NE2 3.01Å; H302-H306 PolarHBondContact NE2-NE2 3.44Å
303L79.8Confident77Confident59 Ų5979.5 Ų79.531%0.30940%0.4SS..Hα-helixtrans-60.2-35.5173.7-65.4175.5000111.7L299 Q300 T305 H306 S307L299-L303 HydrophobicContact CD1-CG 4.42Å; L299-L303 HydrophobicContact CG-CD1 4.26Å; L299-L303 HydrophobicContact CG-CG 4.35Å; L299-L303 WeakPolarHBondContact O-CG 3.22Å; L299-L303 PolarHBondContact O-N 3.18Å; Q300-L303 WeakPolarHBondContact O-CB 3.33Å; Q300-L303 PolarHBondContact O-N 2.73Å; Q300-L303 VanDerWaalsContact O-N 3.07Å; L303-T305 PolarHBondContact O-N 2.93Å; L303-H306 PolarHBondContact O-N 2.72Å; L303-S307 PolarHBondContact O-N 3.31Å
304D75.8Confident77Confident52 Ų5279.8 Ų79.828%0.27840%0.401SS..Hα-helixtrans-58.1-20.2171.5-58.4-19.3000112.9Q300 H302Q300-D304 PolarHBondContact O-N 3.26Å; H302-D304 PolarHBondContact O-N 2.76Å
305T75.3Confident76.9Confident67 Ų6785.4 Ų85.441%0.41143%0.433SS..Hα-helixtrans-80.7-22.6176720000113.9H302 L303 R324H302-T305 WeakPolarHBondContact O-CA 3.32Å; H302-T305 VanDerWaalsContact O-CB 3.3Å; H302-T305 WeakPolarHBondContact O-CB 3.5Å; H302-T305 PolarHBondContact O-N 3.12Å; H302-T305 PolarHBondContact O-OG1 3.19Å; L303-T305 PolarHBondContact O-N 2.93Å; T305-R324 PolarHBondContact O-NH1 3.2Å
306H76.1Confident76.9Confident78 Ų7888.2 Ų88.236%0.36144%0.444SS..Hα-helixtrans-82.3-16.2172.7-66.9-66.1000112.4C286 C289 H302 L303 E308C286-H306 PolarHBondContact SG-NE2 2.84Å; C286-H306 VanDerWaalsContact SG-NE2 3.44Å; C289-H306 PolarHBondContact SG-NE2 2.85Å; H302-H306 AromaticContact CD2-NE2 3.88Å; H302-H306 AromaticContact CE1-NE2 3.54Å; H302-H306 AromaticContact NE2-CD2 3.7Å; H302-H306 AromaticContact NE2-NE2 3.01Å; H302-H306 PolarHBondContact NE2-NE2 3.44Å; L303-H306 PolarHBondContact O-N 2.72Å; H306-E308 PolarHBondContact O-N 2.76Å
307S71.3Confident76.6Confident59 Ų5990.3 Ų90.341%0.41345%0.45SS..  trans-70123.4172.9-171.20000110.7L303 E309L303-S307 PolarHBondContact O-N 3.31Å; S307-E309 VanDerWaalsContact C-N 3.29Å
308E64.6Low76.1Confident192 Ų19292.6 Ų92.690%0.89746%0.464SS*.SBendtrans-75.8-17.6178.2-63.3-169.916000112.6H306H306-E308 PolarHBondContact O-N 2.76Å
309E66.4Low76Confident153 Ų15391.2 Ų91.272%0.71546%0.459SS*.SBendtrans-96.5126.8-178.9-62.4-161.9152.600112.2S307 A311S307-E309 VanDerWaalsContact C-N 3.29Å; E309-A311 PolarHBondContact O-N 2.92Å
310P64.4Low76Confident43 Ų4396.7 Ų96.728%0.27949%0.493SS..  trans-70.3105.317325.8-29.7000110.5Y312P310-Y312 PolarHBondContact O-N 2.79Å
311A70.3Confident76Confident75 Ų7594.9 Ų94.962%0.6248%0.483SS*.  trans-65.4-19.4-177.800000114.9E309E309-A311 PolarHBondContact O-N 2.92Å
312Y74.8Confident76.1Confident83 Ų8392.6 Ų92.633%0.32548%0.479SS..EExtended strand (participates in β ladder)trans-124.1124.3-175-53.7-78.5000112.1P310 T322 A323 L326 I329P310-Y312 PolarHBondContact O-N 2.79Å; Y312-T322 CarbonylContact O-C 3.49Å; Y312-T322 WeakPolarHBondContact O-CA 3.39Å; Y312-A323 WeakPolarHBondContact CB-O 3.44Å; Y312-A323 PolarHBondContact N-O 2.79Å; Y312-A323 VanDerWaalsContact N-O 3.11Å; Y312-A323 PolarHBondContact O-N 3.49Å; Y312-L326 HydrophobicContact CD1-CD1 4.08Å; Y312-L326 HydrophobicContact CE1-CB 4.24Å; Y312-L326 HydrophobicContact CE1-CD1 3.53Å; Y312-L326 HydrophobicContact CE1-CG 4.47Å; Y312-L326 HydrophobicContact CE2-CB 4.23Å; Y312-I329 HydrophobicContact CG-CG2 4.4Å
313R80.6Confident75.9Confident175 Ų17591.6 Ų91.666%0.6648%0.475SS*.EExtended strand (participates in β ladder)trans-109.6153.8172.7-62.2-168.1159.487.2-1.6110.2T322R313-T322 HydrophobicContact CB-CG2 4.5Å; R313-T322 HydrophobicContact CG-CG2 3.86Å
314C83Confident75.6Confident13 Ų1395.3 Ų95.39%0.08849%0.485CS..  trans-78.6126.6173.2-1670000109.7F316 C319 F321 I329 H337C314-F316 PolarHBondContact O-N 3.48Å; C314-C319 HydrophobicContact CB-CB 4.13Å; C314-F321 HydrophobicContact CB-CB 4.42Å; C314-F321 PolarHBondContact N-O 3.2Å; C314-I329 HydrophobicContact CB-CD1 4.02Å; C314-H337 VanDerWaalsContact SG-CD2 3.52Å; C314-H337 PolarHBondContact SG-NE2 3.15Å
315D78.8Confident75.4Confident155 Ų15595 Ų9583%0.82949%0.487SS*.  trans-82.67.9-179.9-59.9-30000113.3
316F80.6Confident75.5Confident93 Ų9395.3 Ų95.341%0.40849%0.486SS..SBendtrans-86.5135.5-177.8-160.7-88.8000111.8C314 N318 C319 Y333 H337C314-F316 PolarHBondContact O-N 3.48Å; F316-N318 PolarHBondContact O-N 3.33Å; F316-C319 HydrophobicContact CB-CB 4.17Å; F316-C319 WeakPolarHBondContact O-CB 3.43Å; F316-C319 PolarHBondContact O-N 2.93Å; F316-Y333 HydrophobicContact CD2-CE2 4.29Å; F316-H337 WeakPolarHBondContact CB-NE2 3.46Å; F316-H337 AromaticContact CD1-CE1 3.25Å; F316-H337 WeakPolarHBondContact CD1-CE1 3.41Å; F316-H337 AromaticContact CD1-CG 3.89Å; F316-H337 AromaticContact CD1-ND1 3.11Å; F316-H337 WeakPolarHBondContact CD1-ND1 3.32Å; F316-H337 HydrophobicContact CD2-CB 3.7Å; F316-H337 AromaticContact CD2-CG 3.56Å; F316-H337 AromaticContact CD2-ND1 3.64Å; F316-H337 AromaticContact CE1-CE1 3.97Å; F316-H337 AromaticContact CE1-ND1 3.46Å; F316-H337 WeakPolarHBondContact CE1-ND1 3.2Å; F316-H337 HydrophobicContact CE2-CB 3.87Å; F316-H337 AromaticContact CE2-ND1 3.95Å; F316-H337 HydrophobicContact CG-CB 4.15Å; F316-H337 AromaticContact CG-CD2 3.81Å; F316-H337 AromaticContact CG-CE1 3.42Å; F316-H337 VanDerWaalsContact CG-CE1 3.42Å; F316-H337 WeakPolarHBondContact CG-CE1 3.21Å; F316-H337 AromaticContact CG-CG 3.47Å; F316-H337 VanDerWaalsContact CG-CG 3.47Å; F316-H337 AromaticContact CG-ND1 3.2Å; F316-H337 WeakPolarHBondContact CG-ND1 3.31Å; F316-H337 AromaticContact CG-NE2 3.81Å; F316-H337 HydrophobicContact CZ-CB 4.44Å; F316-H337 AromaticContact CZ-ND1 3.86Å
317E74.8Confident75.5Confident156 Ų15695.6 Ų95.673%0.72950%0.496SS*.THydrogen-bonded Turntrans-51.6124.7-179.6-69.6-65.6157.900112C319E317-C319 VanDerWaalsContact C-N 3.32Å; E317-C319 PolarHBondContact O-N 3.21Å
318N72.3Confident75.8Confident165 Ų16595.4 Ų95.488%0.88249%0.494SS*.THydrogen-bonded Turntrans65.118.2-176.5-54.6-64.6000116.6F316F316-N318 PolarHBondContact O-N 3.33Å
319C81.9Confident76.7Confident28 Ų2887.2 Ų87.219%0.18946%0.456CS..  trans-99.5117.4172-167.30000112C314 F316 E317 F321 H332 H337C314-C319 HydrophobicContact CB-CB 4.13Å; F316-C319 HydrophobicContact CB-CB 4.17Å; F316-C319 WeakPolarHBondContact O-CB 3.43Å; F316-C319 PolarHBondContact O-N 2.93Å; E317-C319 VanDerWaalsContact C-N 3.32Å; E317-C319 PolarHBondContact O-N 3.21Å; C319-F321 VanDerWaalsContact C-N 3.33Å; C319-H332 PolarHBondContact SG-CE1 2.93Å; C319-H332 PolarHBondContact SG-NE2 3.41Å; C319-H337 PolarHBondContact SG-NE2 2.98Å; C319-H337 VanDerWaalsContact SG-NE2 3.35Å
320T82.4Confident77.3Confident136 Ų13685.5 Ų85.583%0.83445%0.447SS*.  trans-91.710.7179.954.80000113.9T322T320-T322 PolarHBondContact O-N 3.31Å
321F81.6Confident77.9Confident73 Ų7385.4 Ų85.432%0.3245%0.447SS..  trans-72129-174.7-175.5-96.2000111.7C314 C319 A323 I329 H332C314-F321 HydrophobicContact CB-CB 4.42Å; C314-F321 PolarHBondContact N-O 3.2Å; C319-F321 VanDerWaalsContact C-N 3.33Å; F321-A323 HydrophobicContact CE1-CB 3.96Å; F321-A323 HydrophobicContact CZ-CB 4.42Å; F321-I329 HydrophobicContact CD1-CD1 3.7Å; F321-I329 HydrophobicContact CE1-CD1 4.06Å; F321-H332 WeakPolarHBondContact CB-CE1 3.41Å; F321-H332 HydrophobicContact CD1-CB 3.59Å; F321-H332 AromaticContact CD1-CD2 3.54Å; F321-H332 AromaticContact CD1-CE1 3.92Å; F321-H332 AromaticContact CD1-CG 3.22Å; F321-H332 AromaticContact CD1-ND1 3.49Å; F321-H332 WeakPolarHBondContact CD1-ND1 3.29Å; F321-H332 AromaticContact CD1-NE2 3.97Å; F321-H332 AromaticContact CD2-ND1 3.72Å; F321-H332 HydrophobicContact CE1-CB 3.37Å; F321-H332 AromaticContact CE1-CG 3.58Å; F321-H332 AromaticContact CE1-ND1 3.98Å; F321-H332 HydrophobicContact CG-CB 4.34Å; F321-H332 AromaticContact CG-CD2 3.94Å; F321-H332 AromaticContact CG-CE1 3.53Å; F321-H332 AromaticContact CG-CG 3.62Å; F321-H332 AromaticContact CG-ND1 3.34Å; F321-H332 VanDerWaalsContact CG-ND1 3.34Å; F321-H332 WeakPolarHBondContact CG-ND1 3.48Å; F321-H332 AromaticContact CG-NE2 3.89Å; F321-H332 HydrophobicContact CZ-CB 3.98Å
322T80.3Confident78.5Confident61 Ų6183.1 Ų83.137%0.37442%0.423SS..EExtended strand (participates in β ladder)trans-124.5149.3175.964.90000110.1Y312 R313 T320Y312-T322 CarbonylContact O-C 3.49Å; Y312-T322 WeakPolarHBondContact O-CA 3.39Å; R313-T322 HydrophobicContact CB-CG2 4.5Å; R313-T322 HydrophobicContact CG-CG2 3.86Å; T320-T322 PolarHBondContact O-N 3.31Å
323A79.1Confident78.8Confident7 Ų783.6 Ų83.66%0.05843%0.426CS..EExtended strand (participates in β ladder)trans-143149.3179.200000111.7Y312 F321 S325 I329Y312-A323 WeakPolarHBondContact CB-O 3.44Å; Y312-A323 PolarHBondContact N-O 2.79Å; Y312-A323 VanDerWaalsContact N-O 3.11Å; Y312-A323 PolarHBondContact O-N 3.49Å; F321-A323 HydrophobicContact CE1-CB 3.96Å; F321-A323 HydrophobicContact CZ-CB 4.42Å; A323-S325 VanDerWaalsContact C-N 3.29Å; A323-I329 HydrophobicContact CB-CB 4.32Å
324R73.6Confident78.6Confident137 Ų13780.9 Ų80.952%0.51742%0.415SS..SBendtrans-81.1-6.2174.1-65.8-175.4-72.8161.1-3.4113.8T305T305-R324 PolarHBondContact O-NH1 3.2Å
325S71.8Confident78.2Confident45 Ų4587.1 Ų87.132%0.31544%0.441SS..SBendtrans-138.8137.1-177.7179.30000112.3A323 C327 S328 I329A323-S325 VanDerWaalsContact C-N 3.29Å; S325-C327 PolarHBondContact O-N 2.97Å; S325-C327 PolarHBondContact OG-N 3.36Å; S325-S328 WeakPolarHBondContact O-CB 3.47Å; S325-S328 PolarHBondContact O-N 3.34Å; S325-I329 PolarHBondContact O-N 3.37Å
326L76.9Confident78.1Confident75 Ų7584 Ų8439%0.39343%0.427SS..Hα-helixtrans-55.1-32.7174.7-165.1107.8000113.1Y312 S328 I329 K330Y312-L326 HydrophobicContact CD1-CD1 4.08Å; Y312-L326 HydrophobicContact CE1-CB 4.24Å; Y312-L326 HydrophobicContact CE1-CD1 3.53Å; Y312-L326 HydrophobicContact CE1-CG 4.47Å; Y312-L326 HydrophobicContact CE2-CB 4.23Å; L326-S328 VanDerWaalsContact C-N 3.34Å; L326-I329 VanDerWaalsContact O-CG2 3.31Å; L326-I329 WeakPolarHBondContact O-CG2 2.92Å; L326-K330 HydrophobicContact CD2-CD 4.09Å; L326-K330 HydrophobicContact CG-CD 4.44Å; L326-K330 WeakPolarHBondContact O-CB 3.32Å; L326-K330 VanDerWaalsContact O-CG 3.3Å; L326-K330 WeakPolarHBondContact O-CG 3.46Å; L326-K330 PolarHBondContact O-N 3.03Å; L326-K330 VanDerWaalsContact O-N 3.17Å
327C75.6Confident78Confident84 Ų8481.6 Ų81.657%0.56842%0.417SS*.Hα-helixtrans-70.3-32.5177.9-74.10000112.6S325 S331S325-C327 PolarHBondContact O-N 2.97Å; S325-C327 PolarHBondContact OG-N 3.36Å; C327-S331 WeakPolarHBondContact O-CB 3.25Å; C327-S331 PolarHBondContact O-N 3.45Å; C327-S331 PolarHBondContact O-OG 3.49Å
328S78.9Confident77.9Confident54 Ų5479.8 Ų79.838%0.37841%0.409SS..Hα-helixtrans-73.4-46.5179.8-174.20000110.7S325 L326 K330 S331 H332S325-S328 WeakPolarHBondContact O-CB 3.47Å; S325-S328 PolarHBondContact O-N 3.34Å; L326-S328 VanDerWaalsContact C-N 3.34Å; S328-K330 PolarHBondContact O-N 3.03Å; S328-S331 WeakPolarHBondContact O-CB 3.38Å; S328-S331 PolarHBondContact O-N 2.93Å; S328-H332 PolarHBondContact O-N 3.14Å
329I82.3Confident77.6Confident20 Ų2074 Ų7410%0.10339%0.387CS..Hα-helixtrans-62.4-42.8177.2-163.475.3000111.8Y312 C314 F321 A323 S325 L326 S331 H332 Y333Y312-I329 HydrophobicContact CG-CG2 4.4Å; C314-I329 HydrophobicContact CB-CD1 4.02Å; F321-I329 HydrophobicContact CD1-CD1 3.7Å; F321-I329 HydrophobicContact CE1-CD1 4.06Å; A323-I329 HydrophobicContact CB-CB 4.32Å; S325-I329 PolarHBondContact O-N 3.37Å; L326-I329 VanDerWaalsContact O-CG2 3.31Å; L326-I329 WeakPolarHBondContact O-CG2 2.92Å; I329-S331 PolarHBondContact O-N 3.4Å; I329-H332 WeakPolarHBondContact O-CB 3.42Å; I329-H332 PolarHBondContact O-N 2.87Å; I329-Y333 WeakPolarHBondContact O-CB 3.41Å; I329-Y333 PolarHBondContact O-N 3.45Å
330K80Confident76.5Confident117 Ų11777 Ų7751%0.50940%0.402SS..Hα-helixtrans-62.4-28.5173.7-76-178.2177.4-177.30113.5L326 S328 R334L326-K330 HydrophobicContact CD2-CD 4.09Å; L326-K330 HydrophobicContact CG-CD 4.44Å; L326-K330 WeakPolarHBondContact O-CB 3.32Å; L326-K330 VanDerWaalsContact O-CG 3.3Å; L326-K330 WeakPolarHBondContact O-CG 3.46Å; L326-K330 PolarHBondContact O-N 3.03Å; L326-K330 VanDerWaalsContact O-N 3.17Å; S328-K330 PolarHBondContact O-N 3.03Å; K330-R334 PolarHBondContact O-N 3.36Å; K330-R334 PolarHBondContact O-NE 3.05Å
331S77.6Confident75.5Confident42 Ų4274.9 Ų74.929%0.29439%0.392SS..Hα-helixtrans-80.5-36.2176.9-62.80000111.7C327 S328 I329 K335C327-S331 WeakPolarHBondContact O-CB 3.25Å; C327-S331 PolarHBondContact O-N 3.45Å; C327-S331 PolarHBondContact O-OG 3.49Å; S328-S331 WeakPolarHBondContact O-CB 3.38Å; S328-S331 PolarHBondContact O-N 2.93Å; I329-S331 PolarHBondContact O-N 3.4Å; S331-K335 WeakPolarHBondContact O-CB 3.38Å; S331-K335 VanDerWaalsContact O-CG 3.28Å; S331-K335 WeakPolarHBondContact O-CG 3.1Å; S331-K335 PolarHBondContact O-N 2.9Å
332H82.2Confident74.8Confident26 Ų2678.8 Ų78.812%0.1241%0.412CS..Hα-helixtrans-63.1-52.3172.5165.385.2000110.7C319 F321 S328 I329 R334 K335 V336 H337C319-H332 PolarHBondContact SG-CE1 2.93Å; C319-H332 PolarHBondContact SG-NE2 3.41Å; F321-H332 WeakPolarHBondContact CB-CE1 3.41Å; F321-H332 HydrophobicContact CD1-CB 3.59Å; F321-H332 AromaticContact CD1-CD2 3.54Å; F321-H332 AromaticContact CD1-CE1 3.92Å; F321-H332 AromaticContact CD1-CG 3.22Å; F321-H332 AromaticContact CD1-ND1 3.49Å; F321-H332 WeakPolarHBondContact CD1-ND1 3.29Å; F321-H332 AromaticContact CD1-NE2 3.97Å; F321-H332 AromaticContact CD2-ND1 3.72Å; F321-H332 HydrophobicContact CE1-CB 3.37Å; F321-H332 AromaticContact CE1-CG 3.58Å; F321-H332 AromaticContact CE1-ND1 3.98Å; F321-H332 HydrophobicContact CG-CB 4.34Å; F321-H332 AromaticContact CG-CD2 3.94Å; F321-H332 AromaticContact CG-CE1 3.53Å; F321-H332 AromaticContact CG-CG 3.62Å; F321-H332 AromaticContact CG-ND1 3.34Å; F321-H332 VanDerWaalsContact CG-ND1 3.34Å; F321-H332 WeakPolarHBondContact CG-ND1 3.48Å; F321-H332 AromaticContact CG-NE2 3.89Å; F321-H332 HydrophobicContact CZ-CB 3.98Å; S328-H332 PolarHBondContact O-N 3.14Å; I329-H332 WeakPolarHBondContact O-CB 3.42Å; I329-H332 PolarHBondContact O-N 2.87Å; H332-R334 VanDerWaalsContact C-N 3.34Å; H332-R334 PolarHBondContact O-N 3.32Å; H332-K335 PolarHBondContact O-N 3.43Å; H332-V336 PolarHBondContact O-N 2.89Å; H332-H337 AromaticContact NE2-CD2 3.82Å; H332-H337 AromaticContact NE2-NE2 3.29Å; H332-H337 PolarHBondContact NE2-NE2 3.44Å
333Y80.6Confident74.3Confident94 Ų9478 Ų7837%0.36941%0.407SS..Hα-helixtrans-55.9-47.7-178-169.6-90.6000112.1F316 I329 K335 H337 E338F316-Y333 HydrophobicContact CD2-CE2 4.29Å; I329-Y333 WeakPolarHBondContact O-CB 3.41Å; I329-Y333 PolarHBondContact O-N 3.45Å; Y333-K335 VanDerWaalsContact C-N 3.32Å; Y333-K335 PolarHBondContact O-N 3.29Å; Y333-H337 HydrophobicContact CD2-CB 4.23Å; Y333-H337 AromaticContact CD2-CD2 3.81Å; Y333-H337 HydrophobicContact CE2-CB 4.21Å; Y333-H337 HydrophobicContact CG-CB 4.48Å; Y333-H337 WeakPolarHBondContact O-CA 3.49Å; Y333-H337 WeakPolarHBondContact O-CB 3.32Å; Y333-H337 PolarHBondContact O-N 3.34Å; Y333-E338 HydrophobicContact CD1-CG 4Å; Y333-E338 HydrophobicContact CE1-CG 3.7Å; Y333-E338 PolarHBondContact O-N 3.08Å; Y333-E338 VanDerWaalsContact O-N 3.13Å
334R76.5Confident74.4Confident118 Ų11883.9 Ų83.945%0.44543%0.428SS..Hα-helixtrans-58.2-40.4176.1-103.9-175.7-65-164.9-3114.3K330 H332 E338 G339 D340K330-R334 PolarHBondContact O-N 3.36Å; K330-R334 PolarHBondContact O-NE 3.05Å; H332-R334 VanDerWaalsContact C-N 3.34Å; H332-R334 PolarHBondContact O-N 3.32Å; R334-E338 WeakPolarHBondContact CG-OE2 3.47Å; R334-G339 PolarHBondContact O-N 3.45Å; R334-D340 HydrophobicContact CG-CB 4.42Å; R334-D340 PolarHBondContact O-N 3.15Å
335K74.2Confident74.7Confident144 Ų14480.2 Ų80.263%0.62642%0.415SS*.Hα-helixtrans-79.6-38.4-174.7-76.4178.9178.5-176.10113.1S331 H332 Y333S331-K335 WeakPolarHBondContact O-CB 3.38Å; S331-K335 VanDerWaalsContact O-CG 3.28Å; S331-K335 WeakPolarHBondContact O-CG 3.1Å; S331-K335 PolarHBondContact O-N 2.9Å; H332-K335 PolarHBondContact O-N 3.43Å; Y333-K335 VanDerWaalsContact C-N 3.32Å; Y333-K335 PolarHBondContact O-N 3.29Å
336V77.1Confident75.4Confident90 Ų9079.8 Ų79.855%0.54541%0.407SS..Hα-helixtrans-100.6-32.6-168-177.20000111.5H332H332-V336 PolarHBondContact O-N 2.89Å
337H79Confident75.7Confident41 Ų4176.3 Ų76.319%0.1939%0.389CS..THydrogen-bonded Turntrans-111.5-43.3-172-59-52.4000113.7C314 F316 C319 H332 Y333C314-H337 VanDerWaalsContact SG-CD2 3.52Å; C314-H337 PolarHBondContact SG-NE2 3.15Å; F316-H337 WeakPolarHBondContact CB-NE2 3.46Å; F316-H337 AromaticContact CD1-CE1 3.25Å; F316-H337 WeakPolarHBondContact CD1-CE1 3.41Å; F316-H337 AromaticContact CD1-CG 3.89Å; F316-H337 AromaticContact CD1-ND1 3.11Å; F316-H337 WeakPolarHBondContact CD1-ND1 3.32Å; F316-H337 HydrophobicContact CD2-CB 3.7Å; F316-H337 AromaticContact CD2-CG 3.56Å; F316-H337 AromaticContact CD2-ND1 3.64Å; F316-H337 AromaticContact CE1-CE1 3.97Å; F316-H337 AromaticContact CE1-ND1 3.46Å; F316-H337 WeakPolarHBondContact CE1-ND1 3.2Å; F316-H337 HydrophobicContact CE2-CB 3.87Å; F316-H337 AromaticContact CE2-ND1 3.95Å; F316-H337 HydrophobicContact CG-CB 4.15Å; F316-H337 AromaticContact CG-CD2 3.81Å; F316-H337 AromaticContact CG-CE1 3.42Å; F316-H337 VanDerWaalsContact CG-CE1 3.42Å; F316-H337 WeakPolarHBondContact CG-CE1 3.21Å; F316-H337 AromaticContact CG-CG 3.47Å; F316-H337 VanDerWaalsContact CG-CG 3.47Å; F316-H337 AromaticContact CG-ND1 3.2Å; F316-H337 WeakPolarHBondContact CG-ND1 3.31Å; F316-H337 AromaticContact CG-NE2 3.81Å; F316-H337 HydrophobicContact CZ-CB 4.44Å; F316-H337 AromaticContact CZ-ND1 3.86Å; C319-H337 PolarHBondContact SG-NE2 2.98Å; C319-H337 VanDerWaalsContact SG-NE2 3.35Å; H332-H337 AromaticContact NE2-CD2 3.82Å; H332-H337 AromaticContact NE2-NE2 3.29Å; H332-H337 PolarHBondContact NE2-NE2 3.44Å; Y333-H337 HydrophobicContact CD2-CB 4.23Å; Y333-H337 AromaticContact CD2-CD2 3.81Å; Y333-H337 HydrophobicContact CE2-CB 4.21Å; Y333-H337 HydrophobicContact CG-CB 4.48Å; Y333-H337 WeakPolarHBondContact O-CA 3.49Å; Y333-H337 WeakPolarHBondContact O-CB 3.32Å; Y333-H337 PolarHBondContact O-N 3.34Å
338E72.6Confident75.9Confident119 Ų11975.9 Ų75.956%0.55638%0.379SS*.SBendtrans-81.4-16.7177.3-76.2175.3156.800113.5Y333 R334 D340Y333-E338 HydrophobicContact CD1-CG 4Å; Y333-E338 HydrophobicContact CE1-CG 3.7Å; Y333-E338 PolarHBondContact O-N 3.08Å; Y333-E338 VanDerWaalsContact O-N 3.13Å; R334-E338 WeakPolarHBondContact CG-OE2 3.47Å; E338-D340 PolarHBondContact O-N 3.44Å
339G64.4Low75.9Confident42 Ų4276.3 Ų76.343%0.43338%0.379SS..  trans63.725.4-179.600000114R334 S341R334-G339 PolarHBondContact O-N 3.45Å; G339-S341 PolarHBondContact O-N 3.5Å; G339-S341 PolarHBondContact O-OG 3.49Å
340D60.4Low75.9Confident93 Ų9377.5 Ų77.550%0.49739%0.389SS..  trans-67.775.4-177-167.120.3000110.9R334 E338R334-D340 HydrophobicContact CG-CB 4.42Å; R334-D340 PolarHBondContact O-N 3.15Å; E338-D340 PolarHBondContact O-N 3.44Å
341S60.4Low76Confident90 Ų9076.4 Ų76.463%0.62939%0.388SS*.  trans-120.74.717947.80000111.5G339 T355G339-S341 PolarHBondContact O-N 3.5Å; G339-S341 PolarHBondContact O-OG 3.49Å; S341-T355 VanDerWaalsContact O-CG2 3.25Å; S341-T355 WeakPolarHBondContact O-CG2 3.49Å
342E66.6Low76.2Confident155 Ų15580.1 Ų80.172%0.72440%0.399SS*.SBendtrans-65.3124.5168.5-76.2-101.8121.700109.2R344E342-R344 PolarHBondContact O-N 3.34Å
343P71.5Confident76.3Confident44 Ų4481.2 Ų81.229%0.28641%0.409SS..  trans-78.591-172.132.7-36.6000110.9Y345 C353 F354 T355 Y388P343-Y345 VanDerWaalsContact C-N 3.31Å; P343-Y345 PolarHBondContact O-N 3.06Å; P343-C353 HydrophobicContact CB-CB 3.54Å; P343-C353 HydrophobicContact CG-CB 3.66Å; P343-F354 CarbonylContact C-O 3.42Å; P343-F354 VanDerWaalsContact C-O 3.31Å; P343-F354 WeakPolarHBondContact CA-O 3.4Å; P343-T355 HydrophobicContact CB-CG2 4.33Å; P343-Y388 WeakPolarHBondContact O-CD1 3.44Å; P343-Y388 WeakPolarHBondContact O-CE1 3.47Å
344R81.1Confident76.3Confident132 Ų13278.7 Ų78.750%0.49840%0.4SS..  trans-73-13.8-176.2-162.6168.6-179.8-1781.4115.4E342 F354 E383 M389E342-R344 PolarHBondContact O-N 3.34Å; R344-F354 PolarHBondContact N-O 3.17Å; R344-E383 IonicContact CZ-OE1 3.49Å; R344-E383 IonicContact NE-OE1 3.84Å; R344-E383 IonicContact NH2-OE1 3.52Å; R344-E383 PolarHBondContact NH2-OE1 3.29Å; R344-M389 HydrophobicContact CG-CG 4.08Å; R344-M389 WeakPolarHBondContact O-CB 3.48Å; R344-M389 PolarHBondContact O-N 2.94Å
345Y79.8Confident76.4Confident59 Ų5976.2 Ų76.223%0.23140%0.398CS..EExtended strand (participates in β ladder)trans-110.2121.3-175-66.5-93.9000111.6P343 C353 F354 G357 L360 Y381 M389P343-Y345 VanDerWaalsContact C-N 3.31Å; P343-Y345 PolarHBondContact O-N 3.06Å; Y345-C353 CarbonylContact O-C 3.5Å; Y345-C353 VanDerWaalsContact O-CA 3.27Å; Y345-C353 WeakPolarHBondContact O-CA 3.38Å; Y345-F354 WeakPolarHBondContact CB-O 3.28Å; Y345-F354 PolarHBondContact N-O 3.03Å; Y345-F354 PolarHBondContact O-N 3.28Å; Y345-G357 VanDerWaalsContact CE2-N 3.34Å; Y345-L360 HydrophobicContact CD1-CD2 4.43Å; Y345-Y381 HydrophobicContact CD1-CD1 4.29Å; Y345-Y381 HydrophobicContact CD1-CD2 4.15Å; Y345-Y381 AromaticContact CD1-CG 3.98Å; Y345-Y381 HydrophobicContact CD1-CG 3.98Å; Y345-Y381 AromaticContact CE1-CD2 3.88Å; Y345-Y381 HydrophobicContact CE1-CD2 3.88Å; Y345-Y381 AromaticContact CE1-CG 3.96Å; Y345-Y381 HydrophobicContact CE1-CG 3.96Å; Y345-M389 CarbonylContact C-O 3.23Å; Y345-M389 WeakPolarHBondContact CA-O 3.09Å; Y345-M389 HydrophobicContact CD1-CB 3.56Å; Y345-M389 HydrophobicContact CD1-CG 4.39Å; Y345-M389 HydrophobicContact CE1-CB 3.79Å; Y345-M389 HydrophobicContact CE1-CG 4.21Å; Y345-M389 HydrophobicContact CG-CB 4.14Å
346K85.6Confident76.5Confident37 Ų3775.6 Ų75.616%0.16139%0.392CS..EExtended strand (participates in β ladder)trans-115.6136-176.8-171.2167.7170.2-1710111.9D351 Y388 M389 R390K346-D351 WeakPolarHBondContact CE-OD1 3.28Å; K346-D351 IonicContact NZ-OD1 2.73Å; K346-D351 PolarHBondContact NZ-OD1 3.5Å; K346-Y388 HydrophobicContact CB-CD1 4.01Å; K346-Y388 HydrophobicContact CB-CG 3.96Å; K346-Y388 HydrophobicContact CD-CD1 4.44Å; K346-Y388 HydrophobicContact CD-CD2 4.1Å; K346-Y388 HydrophobicContact CD-CG 4.05Å; K346-M389 PolarHBondContact N-O 3.27Å; K346-R390 HydrophobicContact CB-CG 4.38Å; K346-R390 WeakPolarHBondContact O-CG 3.41Å
347C83.9Confident76.6Confident1 Ų171.8 Ų71.81%0.00737%0.37CS..  trans-74.1128.5172.5-175.60000109.9V349 D351 K352 F354 L360C347-V349 VanDerWaalsContact C-N 3.27Å; C347-V349 PolarHBondContact O-N 2.82Å; C347-D351 WeakPolarHBondContact O-CA 3.46Å; C347-D351 PolarHBondContact O-N 3.17Å; C347-K352 PolarHBondContact N-O 3.18Å; C347-F354 HydrophobicContact CB-CE2 4.45Å; C347-L360 HydrophobicContact CB-CD1 3.76Å
348H78.9Confident76.6Confident76 Ų7675 Ų7535%0.35239%0.389SS..THydrogen-bonded Turntrans-74.3-18.2178.69571.6000113.2F370H348-F370 AromaticContact NE2-CZ 3.87Å
349V79.8Confident77.1Confident63 Ų6372.9 Ų72.938%0.38238%0.381SS..THydrogen-bonded Turntrans-92.3-37.9-174.6-1760000111.9C347 H368 F370C347-V349 VanDerWaalsContact C-N 3.27Å; C347-V349 PolarHBondContact O-N 2.82Å; V349-H368 VanDerWaalsContact CG1-CE1 3.48Å; V349-H368 WeakPolarHBondContact CG1-CE1 3.37Å; V349-H368 WeakPolarHBondContact CG1-ND1 3.5Å; V349-F370 HydrophobicContact CG2-CE2 4.01Å; V349-F370 HydrophobicContact CG2-CZ 4.23Å
350C81.8Confident78Confident45 Ų4570.9 Ų70.930%0.30436%0.361SS..THydrogen-bonded Turntrans-130.512.9-174.880.40000114.1K352 H363 H368C350-K352 PolarHBondContact O-N 3.16Å; C350-H363 VanDerWaalsContact SG-CE1 3.57Å; C350-H363 PolarHBondContact SG-NE2 3.25Å; C350-H368 PolarHBondContact SG-NE2 3.47Å; C350-H368 VanDerWaalsContact SG-NE2 3.41Å
351D80.9Confident78.9Confident93 Ų9367.2 Ų67.250%0.49734%0.342SS..  trans55.710.3176.2-69.5-53.7000117.1K346 C347 C353K346-D351 WeakPolarHBondContact CE-OD1 3.28Å; K346-D351 IonicContact NZ-OD1 2.73Å; K346-D351 PolarHBondContact NZ-OD1 3.5Å; C347-D351 WeakPolarHBondContact O-CA 3.46Å; C347-D351 PolarHBondContact O-N 3.17Å; D351-C353 PolarHBondContact O-N 3.19Å
352K81.8Confident79.9Confident120 Ų12066 Ų6652%0.52233%0.331SS..  trans-68.2132.2177.5-74-176.7-176.8-173.10110.8C347 C350 F354C347-K352 PolarHBondContact N-O 3.18Å; C350-K352 PolarHBondContact O-N 3.16Å; K352-F354 HydrophobicContact CB-CE2 3.84Å; K352-F354 HydrophobicContact CB-CZ 3.98Å; K352-F354 WeakPolarHBondContact O-CD2 3.38Å; K352-F354 WeakPolarHBondContact O-CE2 3.35Å
353C84.9Confident80.7Confident49 Ų4959.6 Ų59.633%0.33130%0.301SS..EExtended strand (participates in β ladder)trans-98.4143.8179.3-52.60000111.2P343 Y345 D351P343-C353 HydrophobicContact CB-CB 3.54Å; P343-C353 HydrophobicContact CG-CB 3.66Å; Y345-C353 CarbonylContact O-C 3.5Å; Y345-C353 VanDerWaalsContact O-CA 3.27Å; Y345-C353 WeakPolarHBondContact O-CA 3.38Å; D351-C353 PolarHBondContact O-N 3.19Å
354F80.5Confident81.2Confident41 Ų4157.6 Ų57.618%0.1829%0.288CS..EExtended strand (participates in β ladder)trans-134.6144.5-176.9-59.2-87.7000109.7P343 R344 Y345 C347 K352 R356 N359 L360 H363P343-F354 CarbonylContact C-O 3.42Å; P343-F354 VanDerWaalsContact C-O 3.31Å; P343-F354 WeakPolarHBondContact CA-O 3.4Å; R344-F354 PolarHBondContact N-O 3.17Å; Y345-F354 WeakPolarHBondContact CB-O 3.28Å; Y345-F354 PolarHBondContact N-O 3.03Å; Y345-F354 PolarHBondContact O-N 3.28Å; C347-F354 HydrophobicContact CB-CE2 4.45Å; K352-F354 HydrophobicContact CB-CE2 3.84Å; K352-F354 HydrophobicContact CB-CZ 3.98Å; K352-F354 WeakPolarHBondContact O-CD2 3.38Å; K352-F354 WeakPolarHBondContact O-CE2 3.35Å; F354-R356 VanDerWaalsContact C-N 3.34Å; F354-N359 HydrophobicContact CB-CB 4.2Å; F354-N359 HydrophobicContact CD1-CB 3.79Å; F354-N359 HydrophobicContact CG-CB 4.28Å; F354-L360 HydrophobicContact CB-CB 4.35Å; F354-L360 HydrophobicContact CD2-CB 3.81Å; F354-L360 HydrophobicContact CD2-CD1 3.71Å; F354-L360 HydrophobicContact CD2-CG 4.29Å; F354-L360 HydrophobicContact CE2-CB 4.43Å; F354-L360 HydrophobicContact CE2-CD1 3.68Å; F354-L360 HydrophobicContact CG-CB 4.19Å; F354-H363 HydrophobicContact CE1-CB 3.98Å; F354-H363 HydrophobicContact CE2-CB 4.07Å; F354-H363 AromaticContact CE2-CD2 3.64Å; F354-H363 AromaticContact CE2-CG 3.83Å; F354-H363 HydrophobicContact CZ-CB 3.47Å; F354-H363 VanDerWaalsContact CZ-CB 3.47Å; F354-H363 AromaticContact CZ-CD2 3.6Å; F354-H363 AromaticContact CZ-CG 3.3Å; F354-H363 AromaticContact CZ-ND1 3.75Å
355T79Confident81.2Confident67 Ų6757.5 Ų57.541%0.41129%0.287SS..SBendtrans-76.1-21176.653.90000113.2S341 P343S341-T355 VanDerWaalsContact O-CG2 3.25Å; S341-T355 WeakPolarHBondContact O-CG2 3.49Å; P343-T355 HydrophobicContact CB-CG2 4.33Å
356R76.9Confident81.3Confident131 Ų13162.7 Ų62.749%0.49431%0.311SS..SBendtrans-134137.7-178-53.2-176.799.5-171.45.3111.4F354 N358 N359 L360F354-R356 VanDerWaalsContact C-N 3.34Å; R356-N358 PolarHBondContact O-N 3.37Å; R356-N359 WeakPolarHBondContact O-CB 3.2Å; R356-N359 PolarHBondContact O-N 2.96Å; R356-L360 PolarHBondContact O-N 2.84Å
357G77.9Confident81.1Confident9 Ų967.9 Ų67.99%0.09333%0.334CS..Hα-helixtrans-61-25.617600000114.4Y345 N359 L360 T361 Y381Y345-G357 VanDerWaalsContact CE2-N 3.34Å; G357-N359 VanDerWaalsContact C-N 3.33Å; G357-L360 PolarHBondContact O-N 3.28Å; G357-T361 WeakPolarHBondContact O-CB 3.27Å; G357-T361 PolarHBondContact O-N 2.9Å; G357-T361 PolarHBondContact O-OG1 3.41Å; G357-Y381 WeakPolarHBondContact O-CE2 3.21Å; G357-Y381 PolarHBondContact O-OH 3.02Å; G357-Y381 VanDerWaalsContact O-OH 3.12Å
358N80.7Confident80.9Confident109 Ų10969.9 Ų69.958%0.58334%0.343SS*.Hα-helixtrans-65.2-37.3171.9-73.1-5.5000111.8R356 T361 V362R356-N358 PolarHBondContact O-N 3.37Å; N358-T361 WeakPolarHBondContact O-CB 3.45Å; N358-T361 PolarHBondContact O-N 2.9Å; N358-V362 WeakPolarHBondContact O-CG2 3.35Å; N358-V362 PolarHBondContact O-N 3.37Å
359N82.6Confident80.8Confident74 Ų7472.5 Ų72.540%0.39636%0.355SS..Hα-helixtrans-69.6-42.5179.1-62.6-10000110.4F354 R356 G357 T361 V362 H363F354-N359 HydrophobicContact CB-CB 4.2Å; F354-N359 HydrophobicContact CD1-CB 3.79Å; F354-N359 HydrophobicContact CG-CB 4.28Å; R356-N359 WeakPolarHBondContact O-CB 3.2Å; R356-N359 PolarHBondContact O-N 2.96Å; G357-N359 VanDerWaalsContact C-N 3.33Å; N359-T361 VanDerWaalsContact C-N 3.32Å; N359-T361 PolarHBondContact O-N 3.48Å; N359-V362 PolarHBondContact O-N 3.42Å; N359-H363 WeakPolarHBondContact O-CB 3.25Å; N359-H363 PolarHBondContact O-N 2.96Å
360L82.1Confident80.5Confident0 Ų070 Ų700%034%0.339CS..Hα-helixtrans-61-41172.6178.456.5000111.4Y345 C347 F354 R356 G357 V362 H363 L364 Y381Y345-L360 HydrophobicContact CD1-CD2 4.43Å; C347-L360 HydrophobicContact CB-CD1 3.76Å; F354-L360 HydrophobicContact CB-CB 4.35Å; F354-L360 HydrophobicContact CD2-CB 3.81Å; F354-L360 HydrophobicContact CD2-CD1 3.71Å; F354-L360 HydrophobicContact CD2-CG 4.29Å; F354-L360 HydrophobicContact CE2-CB 4.43Å; F354-L360 HydrophobicContact CE2-CD1 3.68Å; F354-L360 HydrophobicContact CG-CB 4.19Å; R356-L360 PolarHBondContact O-N 2.84Å; G357-L360 PolarHBondContact O-N 3.28Å; L360-V362 PolarHBondContact O-N 3.4Å; L360-H363 WeakPolarHBondContact O-CB 3.35Å; L360-H363 PolarHBondContact O-N 2.97Å; L360-L364 HydrophobicContact CD1-CD1 3.98Å; L360-L364 HydrophobicContact CD1-CD2 4.49Å; L360-L364 HydrophobicContact CD1-CG 3.96Å; L360-L364 HydrophobicContact CG-CD1 3.88Å; L360-L364 HydrophobicContact CG-CG 4.35Å; L360-L364 WeakPolarHBondContact O-CB 3.34Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.37Å; L360-L364 PolarHBondContact O-N 3.03Å; L360-Y381 HydrophobicContact CB-CE1 4.37Å; L360-Y381 HydrophobicContact CD2-CD1 3.82Å; L360-Y381 HydrophobicContact CD2-CE1 3.35Å; L360-Y381 HydrophobicContact CG-CE1 3.76Å
361T80.4Confident79.5Confident17 Ų1776.1 Ų76.110%0.10436%0.36CS..Hα-helixtrans-57.8-49175.4-58.30000111.9G357 N358 N359 H363 L364 R365 W372 F379 Y381G357-T361 WeakPolarHBondContact O-CB 3.27Å; G357-T361 PolarHBondContact O-N 2.9Å; G357-T361 PolarHBondContact O-OG1 3.41Å; N358-T361 WeakPolarHBondContact O-CB 3.45Å; N358-T361 PolarHBondContact O-N 2.9Å; N359-T361 VanDerWaalsContact C-N 3.32Å; N359-T361 PolarHBondContact O-N 3.48Å; T361-H363 VanDerWaalsContact C-N 3.31Å; T361-L364 PolarHBondContact O-N 3.19Å; T361-R365 WeakPolarHBondContact O-CG 3.29Å; T361-R365 PolarHBondContact O-N 3.45Å; T361-R365 VanDerWaalsContact O-N 3.09Å; T361-W372 HydrophobicContact CG2-CH2 3.38Å; T361-W372 HydrophobicContact CG2-CZ2 4.11Å; T361-W372 HydrophobicContact CG2-CZ3 4.17Å; T361-F379 HydrophobicContact CG2-CD2 3.7Å; T361-F379 HydrophobicContact CG2-CE2 4.13Å; T361-Y381 VanDerWaalsContact CA-OH 3.24Å; T361-Y381 WeakPolarHBondContact CA-OH 3.32Å; T361-Y381 WeakPolarHBondContact CB-OH 3.2Å; T361-Y381 PolarHBondContact N-OH 3.47Å; T361-Y381 PolarHBondContact OG1-OH 3.43Å
362V81.8Confident78.4Confident65 Ų6575.7 Ų75.739%0.39435%0.352SS..Hα-helixtrans-65-39.7179.3171.90000110.6N358 N359 L360 R365 K366N358-V362 WeakPolarHBondContact O-CG2 3.35Å; N358-V362 PolarHBondContact O-N 3.37Å; N359-V362 PolarHBondContact O-N 3.42Å; L360-V362 PolarHBondContact O-N 3.4Å; V362-R365 PolarHBondContact O-N 3.15Å; V362-K366 HydrophobicContact CG1-CD 3.82Å; V362-K366 HydrophobicContact CG1-CG 4.2Å; V362-K366 WeakPolarHBondContact O-CB 3.13Å; V362-K366 WeakPolarHBondContact O-CG 3.38Å; V362-K366 PolarHBondContact O-N 3.16Å
363H82.6Confident77.3Confident20 Ų2071.2 Ų71.29%0.09334%0.335CS..Hα-helixtrans-62-48.6176.2169.973.1000112.2C350 F354 N359 L360 T361 R365 K366 K367 H368C350-H363 VanDerWaalsContact SG-CE1 3.57Å; C350-H363 PolarHBondContact SG-NE2 3.25Å; F354-H363 HydrophobicContact CE1-CB 3.98Å; F354-H363 HydrophobicContact CE2-CB 4.07Å; F354-H363 AromaticContact CE2-CD2 3.64Å; F354-H363 AromaticContact CE2-CG 3.83Å; F354-H363 HydrophobicContact CZ-CB 3.47Å; F354-H363 VanDerWaalsContact CZ-CB 3.47Å; F354-H363 AromaticContact CZ-CD2 3.6Å; F354-H363 AromaticContact CZ-CG 3.3Å; F354-H363 AromaticContact CZ-ND1 3.75Å; N359-H363 WeakPolarHBondContact O-CB 3.25Å; N359-H363 PolarHBondContact O-N 2.96Å; L360-H363 WeakPolarHBondContact O-CB 3.35Å; L360-H363 PolarHBondContact O-N 2.97Å; T361-H363 VanDerWaalsContact C-N 3.31Å; H363-R365 VanDerWaalsContact C-N 3.29Å; H363-R365 PolarHBondContact O-N 3.08Å; H363-K366 PolarHBondContact O-N 3.05Å; H363-K367 WeakPolarHBondContact O-CB 3.26Å; H363-K367 PolarHBondContact O-N 3.49Å; H363-H368 AromaticContact CD2-CD2 3.94Å; H363-H368 AromaticContact CE1-CD2 3.93Å; H363-H368 AromaticContact CE1-NE2 3.6Å; H363-H368 AromaticContact NE2-CD2 3.41Å; H363-H368 PolarHBondContact NE2-CD2 2.58Å; H363-H368 AromaticContact NE2-NE2 3.18Å; H363-H368 PolarHBondContact NE2-NE2 2.98Å; H363-H368 VanDerWaalsContact NE2-NE2 3.18Å
364L82.4Confident75.7Confident1 Ų173.5 Ų73.51%0.00535%0.352CS..Hα-helixtrans-59.7-39.6177.3-70.8165.1000111.9L360 T361 H368 Q369 F370 F379 Y381 L391L360-L364 HydrophobicContact CD1-CD1 3.98Å; L360-L364 HydrophobicContact CD1-CD2 4.49Å; L360-L364 HydrophobicContact CD1-CG 3.96Å; L360-L364 HydrophobicContact CG-CD1 3.88Å; L360-L364 HydrophobicContact CG-CG 4.35Å; L360-L364 WeakPolarHBondContact O-CB 3.34Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.37Å; L360-L364 PolarHBondContact O-N 3.03Å; T361-L364 PolarHBondContact O-N 3.19Å; L364-H368 CarbonylContact O-C 3.56Å; L364-H368 VanDerWaalsContact O-C 3.23Å; L364-H368 WeakPolarHBondContact O-CA 3.1Å; L364-H368 WeakPolarHBondContact O-CB 3.35Å; L364-H368 PolarHBondContact O-N 3.16Å; L364-Q369 PolarHBondContact O-N 3.3Å; L364-F370 HydrophobicContact CB-CB 4.34Å; L364-F370 HydrophobicContact CB-CD2 4.21Å; L364-F370 HydrophobicContact CB-CG 4.48Å; L364-F370 HydrophobicContact CD2-CD2 4.02Å; L364-F370 HydrophobicContact CD2-CE2 4.04Å; L364-F370 PolarHBondContact O-N 2.91Å; L364-F370 VanDerWaalsContact O-N 3.08Å; L364-F379 HydrophobicContact CB-CE2 4.12Å; L364-F379 HydrophobicContact CD1-CD2 4.27Å; L364-F379 HydrophobicContact CD1-CE2 4.46Å; L364-Y381 HydrophobicContact CD1-CE1 4.37Å; L364-L391 HydrophobicContact CD1-CB 4.19Å; L364-L391 HydrophobicContact CD1-CD1 4.49Å; L364-L391 HydrophobicContact CD1-CD2 4.12Å
365R80.8Confident74.4Confident130 Ų13072.9 Ų72.949%0.49136%0.357SS..Hα-helixtrans-69.5-46.7175.5-74.2-178.459.3-152.4-4.3113.4T361 V362 H363 Q369 F379T361-R365 WeakPolarHBondContact O-CG 3.29Å; T361-R365 PolarHBondContact O-N 3.45Å; T361-R365 VanDerWaalsContact O-N 3.09Å; V362-R365 PolarHBondContact O-N 3.15Å; H363-R365 VanDerWaalsContact C-N 3.29Å; H363-R365 PolarHBondContact O-N 3.08Å; R365-Q369 VanDerWaalsContact O-CA 3.3Å; R365-Q369 WeakPolarHBondContact O-CA 3.05Å; R365-Q369 PolarHBondContact O-N 3.22Å; R365-F379 HydrophobicContact CG-CE2 4.13Å
366K81.6Confident73.4Confident168 Ų16871.5 Ų71.573%0.7335%0.346SS*.Hα-helixtrans-82.9-38.1-171.8-72.2-171.1176.6-173.80113.8V362 H363V362-K366 HydrophobicContact CG1-CD 3.82Å; V362-K366 HydrophobicContact CG1-CG 4.2Å; V362-K366 WeakPolarHBondContact O-CB 3.13Å; V362-K366 WeakPolarHBondContact O-CG 3.38Å; V362-K366 PolarHBondContact O-N 3.16Å; H363-K366 PolarHBondContact O-N 3.05Å
367K82.1Confident72.4Confident147 Ų14767.5 Ų67.564%0.63934%0.337SS*.Hα-helixtrans-97.5-33.7-175-69.7-68.8-174.5179.90112.6H363H363-K367 WeakPolarHBondContact O-CB 3.26Å; H363-K367 PolarHBondContact O-N 3.49Å
368H79.6Confident71.8Confident42 Ų4275.7 Ų75.719%0.19437%0.365CS..SBendtrans-112.83.8-177.2-60.9-66.4000113.5V349 C350 H363 L364 F370V349-H368 VanDerWaalsContact CG1-CE1 3.48Å; V349-H368 WeakPolarHBondContact CG1-CE1 3.37Å; V349-H368 WeakPolarHBondContact CG1-ND1 3.5Å; C350-H368 PolarHBondContact SG-NE2 3.47Å; C350-H368 VanDerWaalsContact SG-NE2 3.41Å; H363-H368 AromaticContact CD2-CD2 3.94Å; H363-H368 AromaticContact CE1-CD2 3.93Å; H363-H368 AromaticContact CE1-NE2 3.6Å; H363-H368 AromaticContact NE2-CD2 3.41Å; H363-H368 PolarHBondContact NE2-CD2 2.58Å; H363-H368 AromaticContact NE2-NE2 3.18Å; H363-H368 PolarHBondContact NE2-NE2 2.98Å; H363-H368 VanDerWaalsContact NE2-NE2 3.18Å; L364-H368 CarbonylContact O-C 3.56Å; L364-H368 VanDerWaalsContact O-C 3.23Å; L364-H368 WeakPolarHBondContact O-CA 3.1Å; L364-H368 WeakPolarHBondContact O-CB 3.35Å; L364-H368 PolarHBondContact O-N 3.16Å; H368-F370 HydrophobicContact CB-CD2 3.56Å; H368-F370 HydrophobicContact CB-CE2 3.69Å; H368-F370 PolarHBondContact O-N 3.14Å
369Q76.8Confident71.3Confident131 Ų13171.2 Ų71.261%0.61234%0.34SS*.  trans55.624.2173.5-62.5160.57300114.5L364 R365 K371L364-Q369 PolarHBondContact O-N 3.3Å; R365-Q369 VanDerWaalsContact O-CA 3.3Å; R365-Q369 WeakPolarHBondContact O-CA 3.05Å; R365-Q369 PolarHBondContact O-N 3.22Å; Q369-K371 PolarHBondContact O-N 2.88Å
370F72.9Confident70.6Confident11 Ų1173 Ų735%0.04834%0.341CS..PPolyproline II helixtrans-61.1124.1175.4-83.8-95.9000109.9H348 V349 L364 H368 F379 L391 L393 L429 T431H348-F370 AromaticContact NE2-CZ 3.87Å; V349-F370 HydrophobicContact CG2-CE2 4.01Å; V349-F370 HydrophobicContact CG2-CZ 4.23Å; L364-F370 HydrophobicContact CB-CB 4.34Å; L364-F370 HydrophobicContact CB-CD2 4.21Å; L364-F370 HydrophobicContact CB-CG 4.48Å; L364-F370 HydrophobicContact CD2-CD2 4.02Å; L364-F370 HydrophobicContact CD2-CE2 4.04Å; L364-F370 PolarHBondContact O-N 2.91Å; L364-F370 VanDerWaalsContact O-N 3.08Å; H368-F370 HydrophobicContact CB-CD2 3.56Å; H368-F370 HydrophobicContact CB-CE2 3.69Å; H368-F370 PolarHBondContact O-N 3.14Å; F370-F379 HydrophobicContact CB-CE2 4.43Å; F370-F379 HydrophobicContact CB-CZ 3.76Å; F370-L391 HydrophobicContact CD1-CD2 4.13Å; F370-L391 HydrophobicContact CE1-CD2 4.1Å; F370-L393 HydrophobicContact CE1-CD2 4.24Å; F370-L429 HydrophobicContact CD1-CB 4.47Å; F370-L429 HydrophobicContact CE1-CB 4.2Å; F370-T431 HydrophobicContact CE1-CG2 4.43Å; F370-T431 HydrophobicContact CE2-CG2 4Å; F370-T431 HydrophobicContact CZ-CG2 3.72Å
371K62Low70.5Confident173 Ų17375 Ų7575%0.75235%0.349SS*.PPolyproline II helixtrans-86.6153.1172.1-66.3-178-177.8175.30109.9Q369Q369-K371 PolarHBondContact O-N 2.88Å
372W57.8Low70.2Confident84 Ų8477.7 Ų77.732%0.31836%0.36SS..PPolyproline II helixtrans-64135.5167-58.9118.4000108.4T361 S374 F379T361-W372 HydrophobicContact CG2-CH2 3.38Å; T361-W372 HydrophobicContact CG2-CZ2 4.11Å; T361-W372 HydrophobicContact CG2-CZ3 4.17Å; W372-S374 PolarHBondContact O-N 3.27Å; W372-F379 AromaticContact CE3-CD1 3.87Å; W372-F379 HydrophobicContact CE3-CD1 3.87Å; W372-F379 HydrophobicContact CE3-CD2 4.35Å; W372-F379 AromaticContact CE3-CE1 3.72Å; W372-F379 HydrophobicContact CE3-CE1 3.72Å; W372-F379 HydrophobicContact CE3-CE2 4.19Å; W372-F379 HydrophobicContact CE3-CG 4.16Å; W372-F379 AromaticContact CE3-CZ 3.85Å; W372-F379 HydrophobicContact CE3-CZ 3.85Å; W372-F379 HydrophobicContact CH2-CD2 4.08Å; W372-F379 HydrophobicContact CH2-CE2 4.23Å; W372-F379 HydrophobicContact CH2-CG 4.36Å; W372-F379 HydrophobicContact CZ3-CB 4.05Å; W372-F379 AromaticContact CZ3-CD1 3.66Å; W372-F379 HydrophobicContact CZ3-CD1 3.66Å; W372-F379 AromaticContact CZ3-CD2 3.52Å; W372-F379 HydrophobicContact CZ3-CD2 3.52Å; W372-F379 AromaticContact CZ3-CE1 3.84Å; W372-F379 HydrophobicContact CZ3-CE1 3.84Å; W372-F379 AromaticContact CZ3-CE2 3.69Å; W372-F379 HydrophobicContact CZ3-CE2 3.69Å; W372-F379 AromaticContact CZ3-CG 3.46Å; W372-F379 HydrophobicContact CZ3-CG 3.46Å; W372-F379 VanDerWaalsContact CZ3-CG 3.46Å; W372-F379 AromaticContact CZ3-CZ 3.82Å; W372-F379 HydrophobicContact CZ3-CZ 3.82Å
373P58.4Low70.1Confident27 Ų2778.5 Ų78.518%0.17536%0.359CS..PPolyproline II helixtrans-55.4137164.9-27.140000108.4G375 H376 R395 L429P373-G375 PolarHBondContact O-N 3.41Å; P373-H376 PolarHBondContact O-N 3.32Å; P373-R395 VanDerWaalsContact CG-NH1 3.31Å; P373-L429 HydrophobicContact CG-CD1 4.47Å; P373-L429 HydrophobicContact CG-CD2 3.63Å
374S51.8Low69.8Low96 Ų9682 Ų8267%0.67138%0.375SS*.THydrogen-bonded Turntrans-44.9127.3-178.2-51.60000109.7W372 H376W372-S374 PolarHBondContact O-N 3.27Å; S374-H376 PolarHBondContact O-N 2.91Å
375G52.3Low69.4Low28 Ų2891.9 Ų91.929%0.28942%0.422SS..THydrogen-bonded Turntrans86.6-13.317800000117.5D261 M262 P373D261-G375 VanDerWaalsContact C-CA 3.45Å; M262-G375 WeakPolarHBondContact CB-O 3.35Å; M262-G375 WeakPolarHBondContact CE-O 3.28Å; P373-G375 PolarHBondContact O-N 3.41Å
376H58.8Low69.2Low38 Ų3889.3 Ų89.318%0.17642%0.417CS..  trans-105139.9-175-156.1-84.9000113.6P373 S374 R378 R395P373-H376 PolarHBondContact O-N 3.32Å; S374-H376 PolarHBondContact O-N 2.91Å; H376-R378 PolarHBondContact CE1-O 3.44Å; H376-R378 VanDerWaalsContact CE1-O 3.24Å; H376-R378 PolarHBondContact ND1-N 2.97Å; H376-R378 PolarHBondContact ND1-O 2.9Å; H376-R395 PolarHBondContact ND1-NH2 3.14Å
377P55.9Low69Low48 Ų4883.1 Ų83.131%0.31240%0.402SS..  trans-92.9-11.7-169.27.214.3000114M262 R277M262-P377 HydrophobicContact CE-CG 3.64Å; R277-P377 VanDerWaalsContact NH2-CB 3.3Å
378R64.7Low69.1Low180 Ų18080.1 Ų80.168%0.67939%0.387SS*.SBendtrans-150.8156.6-171.9-72-169.8-72.2-163.9-2114.4H376 R395H376-R378 PolarHBondContact CE1-O 3.44Å; H376-R378 VanDerWaalsContact CE1-O 3.24Å; H376-R378 PolarHBondContact ND1-N 2.97Å; H376-R378 PolarHBondContact ND1-O 2.9Å; R378-R395 PolarHBondContact O-NH2 3.36Å
379F69.1Low69.1Low15 Ų1579.6 Ų79.67%0.06639%0.385CS..  trans-82.6146.5172.4-74-41.1000108.6T361 L364 R365 F370 W372 Y381 L391T361-F379 HydrophobicContact CG2-CD2 3.7Å; T361-F379 HydrophobicContact CG2-CE2 4.13Å; L364-F379 HydrophobicContact CB-CE2 4.12Å; L364-F379 HydrophobicContact CD1-CD2 4.27Å; L364-F379 HydrophobicContact CD1-CE2 4.46Å; R365-F379 HydrophobicContact CG-CE2 4.13Å; F370-F379 HydrophobicContact CB-CE2 4.43Å; F370-F379 HydrophobicContact CB-CZ 3.76Å; W372-F379 AromaticContact CE3-CD1 3.87Å; W372-F379 HydrophobicContact CE3-CD1 3.87Å; W372-F379 HydrophobicContact CE3-CD2 4.35Å; W372-F379 AromaticContact CE3-CE1 3.72Å; W372-F379 HydrophobicContact CE3-CE1 3.72Å; W372-F379 HydrophobicContact CE3-CE2 4.19Å; W372-F379 HydrophobicContact CE3-CG 4.16Å; W372-F379 AromaticContact CE3-CZ 3.85Å; W372-F379 HydrophobicContact CE3-CZ 3.85Å; W372-F379 HydrophobicContact CH2-CD2 4.08Å; W372-F379 HydrophobicContact CH2-CE2 4.23Å; W372-F379 HydrophobicContact CH2-CG 4.36Å; W372-F379 HydrophobicContact CZ3-CB 4.05Å; W372-F379 AromaticContact CZ3-CD1 3.66Å; W372-F379 HydrophobicContact CZ3-CD1 3.66Å; W372-F379 AromaticContact CZ3-CD2 3.52Å; W372-F379 HydrophobicContact CZ3-CD2 3.52Å; W372-F379 AromaticContact CZ3-CE1 3.84Å; W372-F379 HydrophobicContact CZ3-CE1 3.84Å; W372-F379 AromaticContact CZ3-CE2 3.69Å; W372-F379 HydrophobicContact CZ3-CE2 3.69Å; W372-F379 AromaticContact CZ3-CG 3.46Å; W372-F379 HydrophobicContact CZ3-CG 3.46Å; W372-F379 VanDerWaalsContact CZ3-CG 3.46Å; W372-F379 AromaticContact CZ3-CZ 3.82Å; W372-F379 HydrophobicContact CZ3-CZ 3.82Å; F379-Y381 HydrophobicContact CB-CE2 4.33Å; F379-L391 HydrophobicContact CB-CD1 3.45Å; F379-L391 VanDerWaalsContact CB-CD1 3.45Å; F379-L391 HydrophobicContact CD1-CD1 3.5Å; F379-L391 HydrophobicContact CD1-CD2 4.42Å; F379-L391 HydrophobicContact CD2-CD1 4.24Å; F379-L391 HydrophobicContact CE1-CD1 4.38Å; F379-L391 HydrophobicContact CG-CD1 3.45Å; F379-L391 VanDerWaalsContact CG-CD1 3.45Å
380R69.2Low69.5Low111 Ų11174.8 Ų74.842%0.41936%0.361SS..  trans-106.5145.3171.4-70.2-171.4-176-170.72.7108.5Q392R380-Q392 HydrophobicContact CB-CB 4.28Å; R380-Q392 WeakPolarHBondContact O-CB 3.29Å; R380-Q392 PolarHBondContact O-N 3.11Å
381Y79.3Confident69.7Low42 Ų4274.6 Ų74.617%0.16536%0.361CS..EExtended strand (participates in β ladder)trans-118.9139.5-179-60.8-74000109.7Y345 G357 L360 T361 L364 F379 M389 R390 L391Y345-Y381 HydrophobicContact CD1-CD1 4.29Å; Y345-Y381 HydrophobicContact CD1-CD2 4.15Å; Y345-Y381 AromaticContact CD1-CG 3.98Å; Y345-Y381 HydrophobicContact CD1-CG 3.98Å; Y345-Y381 AromaticContact CE1-CD2 3.88Å; Y345-Y381 HydrophobicContact CE1-CD2 3.88Å; Y345-Y381 AromaticContact CE1-CG 3.96Å; Y345-Y381 HydrophobicContact CE1-CG 3.96Å; G357-Y381 WeakPolarHBondContact O-CE2 3.21Å; G357-Y381 PolarHBondContact O-OH 3.02Å; G357-Y381 VanDerWaalsContact O-OH 3.12Å; L360-Y381 HydrophobicContact CB-CE1 4.37Å; L360-Y381 HydrophobicContact CD2-CD1 3.82Å; L360-Y381 HydrophobicContact CD2-CE1 3.35Å; L360-Y381 HydrophobicContact CG-CE1 3.76Å; T361-Y381 VanDerWaalsContact CA-OH 3.24Å; T361-Y381 WeakPolarHBondContact CA-OH 3.32Å; T361-Y381 WeakPolarHBondContact CB-OH 3.2Å; T361-Y381 PolarHBondContact N-OH 3.47Å; T361-Y381 PolarHBondContact OG1-OH 3.43Å; L364-Y381 HydrophobicContact CD1-CE1 4.37Å; F379-Y381 HydrophobicContact CB-CE2 4.33Å; Y381-M389 VanDerWaalsContact O-CE 3.31Å; Y381-M389 WeakPolarHBondContact O-CE 3.15Å; Y381-R390 CarbonylContact C-O 3.54Å; Y381-R390 WeakPolarHBondContact CA-O 3.41Å; Y381-L391 HydrophobicContact CE1-CB 4.35Å; Y381-L391 HydrophobicContact CE1-CD1 4.33Å
382K75.4Confident70.2Confident74 Ų7468.4 Ų68.432%0.32233%0.334SS..EExtended strand (participates in β ladder)trans-120.7141.4176.1-170.4-177.6177.3-172.60109.3S232 M389 R390S232-K382 PolarHBondContact O-NZ 3.39Å; K382-M389 CarbonylContact O-C 3.53Å; K382-M389 WeakPolarHBondContact O-CA 3.17Å; K382-R390 PolarHBondContact N-O 3.33Å; K382-R390 PolarHBondContact O-N 2.87Å
383E78.5Confident70.5Confident82 Ų8266.9 Ų66.938%0.38333%0.332SS..EExtended strand (participates in β ladder)trans-72.5130173.7-161.9161.2-140.800109.4R344 M389R344-E383 IonicContact CZ-OE1 3.49Å; R344-E383 IonicContact NE-OE1 3.84Å; R344-E383 IonicContact NH2-OE1 3.52Å; R344-E383 PolarHBondContact NH2-OE1 3.29Å; E383-M389 VanDerWaalsContact CA-SD 3.56Å; E383-M389 HydrophobicContact CB-SD 3.56Å; E383-M389 VanDerWaalsContact CB-SD 3.56Å; E383-M389 HydrophobicContact CG-SD 4.14Å; E383-M389 PolarHBondContact N-SD 3.36Å; E383-M389 VanDerWaalsContact N-SD 3.4Å
384H76.3Confident70.4Confident93 Ų9368.1 Ų68.143%0.43134%0.339SS..  trans-97.6168.6174.2-84.7-102.2000111D386 G387 Y388H384-D386 VanDerWaalsContact CB-OD1 3.29Å; H384-D386 WeakPolarHBondContact CB-OD1 3.46Å; H384-D386 PolarHBondContact O-N 3.23Å; H384-G387 PolarHBondContact O-N 3.14Å; H384-Y388 PolarHBondContact N-O 3.33Å
385E73.8Confident70.6Confident210 Ų21065.5 Ų65.598%0.98132%0.315SS*.THydrogen-bonded Turntrans-56.2-23.8-177.5-62.4-177.416200114G387E385-G387 VanDerWaalsContact C-N 3.29Å; E385-G387 PolarHBondContact O-N 3.06Å
386D77.5Confident70.6Confident75 Ų7566 Ų6640%0.40131%0.308SS..THydrogen-bonded Turntrans-87.110.5176.465.5-11.9000113.9H384 Y388 R390H384-D386 VanDerWaalsContact CB-OD1 3.29Å; H384-D386 WeakPolarHBondContact CB-OD1 3.46Å; H384-D386 PolarHBondContact O-N 3.23Å; D386-Y388 HydrophobicContact CB-CD2 4.37Å; D386-Y388 WeakPolarHBondContact O-CD2 3.4Å; D386-Y388 PolarHBondContact O-N 3.46Å; D386-Y388 PolarHBondContact OD1-N 3.39Å; D386-R390 IonicContact OD1-CZ 3.19Å; D386-R390 IonicContact OD1-NH1 2.86Å; D386-R390 PolarHBondContact OD1-NH1 2.96Å; D386-R390 IonicContact OD1-NH2 2.65Å; D386-R390 IonicContact OD2-CZ 3.24Å; D386-R390 IonicContact OD2-NH1 3.98Å; D386-R390 PolarHBondContact OD2-NH1 3.41Å; D386-R390 IonicContact OD2-NH2 3.78Å; D386-R390 PolarHBondContact OD2-NH2 3.35Å
387G76.5Confident70.3Confident39 Ų3968.9 Ų68.940%0.40232%0.322SS..SBendtrans78.3-2.2177.200000115.1H384 E385H384-G387 PolarHBondContact O-N 3.14Å; E385-G387 VanDerWaalsContact C-N 3.29Å; E385-G387 PolarHBondContact O-N 3.06Å
388Y84.1Confident70.3Confident83 Ų8368.6 Ų68.633%0.32532%0.32SS..  trans-92140.6178.7-69.8-78.6000112.5P343 K346 H384 D386P343-Y388 WeakPolarHBondContact O-CD1 3.44Å; P343-Y388 WeakPolarHBondContact O-CE1 3.47Å; K346-Y388 HydrophobicContact CB-CD1 4.01Å; K346-Y388 HydrophobicContact CB-CG 3.96Å; K346-Y388 HydrophobicContact CD-CD1 4.44Å; K346-Y388 HydrophobicContact CD-CD2 4.1Å; K346-Y388 HydrophobicContact CD-CG 4.05Å; H384-Y388 PolarHBondContact N-O 3.33Å; D386-Y388 HydrophobicContact CB-CD2 4.37Å; D386-Y388 WeakPolarHBondContact O-CD2 3.4Å; D386-Y388 PolarHBondContact O-N 3.46Å; D386-Y388 PolarHBondContact OD1-N 3.39Å
389M80.9Confident69.3Low32 Ų3264.6 Ų64.616%0.15832%0.316CS..EExtended strand (participates in β ladder)trans-81.2116.3172.4-63.5-69-67.500110.3R344 Y345 K346 Y381 K382 E383R344-M389 HydrophobicContact CG-CG 4.08Å; R344-M389 WeakPolarHBondContact O-CB 3.48Å; R344-M389 PolarHBondContact O-N 2.94Å; Y345-M389 CarbonylContact C-O 3.23Å; Y345-M389 WeakPolarHBondContact CA-O 3.09Å; Y345-M389 HydrophobicContact CD1-CB 3.56Å; Y345-M389 HydrophobicContact CD1-CG 4.39Å; Y345-M389 HydrophobicContact CE1-CB 3.79Å; Y345-M389 HydrophobicContact CE1-CG 4.21Å; Y345-M389 HydrophobicContact CG-CB 4.14Å; K346-M389 PolarHBondContact N-O 3.27Å; Y381-M389 VanDerWaalsContact O-CE 3.31Å; Y381-M389 WeakPolarHBondContact O-CE 3.15Å; K382-M389 CarbonylContact O-C 3.53Å; K382-M389 WeakPolarHBondContact O-CA 3.17Å; E383-M389 VanDerWaalsContact CA-SD 3.56Å; E383-M389 HydrophobicContact CB-SD 3.56Å; E383-M389 VanDerWaalsContact CB-SD 3.56Å; E383-M389 HydrophobicContact CG-SD 4.14Å; E383-M389 PolarHBondContact N-SD 3.36Å; E383-M389 VanDerWaalsContact N-SD 3.4Å
390R83.4Confident68.3Low30 Ų3070 Ų7011%0.11334%0.341CS..EExtended strand (participates in β ladder)trans-116.3162.8176.2-60.9-173.5170.578-8.7112.1K346 Y381 K382 D386 Q392K346-R390 HydrophobicContact CB-CG 4.38Å; K346-R390 WeakPolarHBondContact O-CG 3.41Å; Y381-R390 CarbonylContact C-O 3.54Å; Y381-R390 WeakPolarHBondContact CA-O 3.41Å; K382-R390 PolarHBondContact N-O 3.33Å; K382-R390 PolarHBondContact O-N 2.87Å; D386-R390 IonicContact OD1-CZ 3.19Å; D386-R390 IonicContact OD1-NH1 2.86Å; D386-R390 PolarHBondContact OD1-NH1 2.96Å; D386-R390 IonicContact OD1-NH2 2.65Å; D386-R390 IonicContact OD2-CZ 3.24Å; D386-R390 IonicContact OD2-NH1 3.98Å; D386-R390 PolarHBondContact OD2-NH1 3.41Å; D386-R390 IonicContact OD2-NH2 3.78Å; D386-R390 PolarHBondContact OD2-NH2 3.35Å; R390-Q392 PolarHBondContact O-N 2.83Å
391L77.1Confident67.3Low7 Ų766 Ų664%0.03733%0.328CS..EExtended strand (participates in β ladder)trans-59.6128.1179.4178.466.4000110.2L364 F370 F379 Y381 L393 L429L364-L391 HydrophobicContact CD1-CB 4.19Å; L364-L391 HydrophobicContact CD1-CD1 4.49Å; L364-L391 HydrophobicContact CD1-CD2 4.12Å; F370-L391 HydrophobicContact CD1-CD2 4.13Å; F370-L391 HydrophobicContact CE1-CD2 4.1Å; F379-L391 HydrophobicContact CB-CD1 3.45Å; F379-L391 VanDerWaalsContact CB-CD1 3.45Å; F379-L391 HydrophobicContact CD1-CD1 3.5Å; F379-L391 HydrophobicContact CD1-CD2 4.42Å; F379-L391 HydrophobicContact CD2-CD1 4.24Å; F379-L391 HydrophobicContact CE1-CD1 4.38Å; F379-L391 HydrophobicContact CG-CD1 3.45Å; F379-L391 VanDerWaalsContact CG-CD1 3.45Å; Y381-L391 HydrophobicContact CE1-CB 4.35Å; Y381-L391 HydrophobicContact CE1-CD1 4.33Å; L391-L393 HydrophobicContact CD2-CD2 3.72Å; L391-L393 HydrophobicContact CG-CD2 4.13Å; L391-L393 PolarHBondContact O-N 2.99Å; L391-L393 VanDerWaalsContact O-N 3.15Å; L391-L429 HydrophobicContact CD2-CD1 4.31Å
392Q73.7Confident65.5Low43 Ų4366.7 Ų66.720%0.20134%0.337CS..  trans-74.4102.9171.3-173.6175.519.700108.9R380 R390R380-Q392 HydrophobicContact CB-CB 4.28Å; R380-Q392 WeakPolarHBondContact O-CB 3.29Å; R380-Q392 PolarHBondContact O-N 3.11Å; R390-Q392 PolarHBondContact O-N 2.83Å
393L63.3Low64.2Low52 Ų5267.6 Ų67.627%0.27234%0.342SS..  trans-80.9-27.8-174.8-66.7170.3000113.5F370 L391 L429F370-L393 HydrophobicContact CE1-CD2 4.24Å; L391-L393 HydrophobicContact CD2-CD2 3.72Å; L391-L393 HydrophobicContact CG-CD2 4.13Å; L391-L393 PolarHBondContact O-N 2.99Å; L391-L393 VanDerWaalsContact O-N 3.15Å; L393-L429 HydrophobicContact CD2-CB 4.37Å; L393-L429 HydrophobicContact CD2-CD1 4.27Å
394V56.3Low62.9Low52 Ų5267.6 Ų67.632%0.31534%0.342SS..  trans-95.5125.7-177.3-177.20000110.7Y396V394-Y396 HydrophobicContact CG1-CD2 4.46Å; V394-Y396 HydrophobicContact CG1-CE1 3.88Å; V394-Y396 HydrophobicContact CG1-CE2 3.75Å; V394-Y396 VanDerWaalsContact CG1-CZ 3.44Å; V394-Y396 WeakPolarHBondContact CG1-OH 3.35Å
395R55.9Low61.5Low42 Ų4266.6 Ų66.616%0.15834%0.34CS..BIsolated β-bridgetrans-123.9138.4168.8-74.8-174.7168.21561.5110P373 H376 R378P373-R395 VanDerWaalsContact CG-NH1 3.31Å; H376-R395 PolarHBondContact ND1-NH2 3.14Å; R378-R395 PolarHBondContact O-NH2 3.36Å
396Y53.9Low60.1Low38 Ų3863.2 Ų63.215%0.14933%0.328CS..  trans-103.3113.5-179.8-55.7-84.3000108.9H233 V394 L424H233-Y396 AromaticContact CE1-CE2 3.2Å; H233-Y396 WeakPolarHBondContact CE1-CE2 3.45Å; H233-Y396 AromaticContact CE1-CZ 3.26Å; H233-Y396 PolarHBondContact CE1-OH 3.21Å; H233-Y396 AromaticContact ND1-CE2 3.1Å; H233-Y396 WeakPolarHBondContact ND1-CE2 3.43Å; H233-Y396 AromaticContact ND1-CZ 3.53Å; H233-Y396 PolarHBondContact ND1-OH 3.29Å; V394-Y396 HydrophobicContact CG1-CD2 4.46Å; V394-Y396 HydrophobicContact CG1-CE1 3.88Å; V394-Y396 HydrophobicContact CG1-CE2 3.75Å; V394-Y396 VanDerWaalsContact CG1-CZ 3.44Å; V394-Y396 WeakPolarHBondContact CG1-OH 3.35Å; Y396-L424 HydrophobicContact CE1-CB 4.26Å
397E51.1Low58.6Low99 Ų9968.7 Ų68.746%0.46334%0.343SS..BIsolated β-bridgetrans-95.3138.4167.6-64.9-175.9-176.100108.2V399 I427E397-V399 PolarHBondContact O-N 3.36Å; E397-I427 HydrophobicContact CG-CD1 4.29Å
398S55.8Low56.6Low41 Ų4172.8 Ų72.829%0.28735%0.351SS..SBendtrans-59.7125.6-17556.40000111H254H254-S398 WeakPolarHBondContact CD2-CB 3.41Å
399V43.7Very low54.3Low97 Ų9774 Ų7459%0.58837%0.37SS*.SBend-146.3-29.993.1175.30000113.2E397E397-V399 PolarHBondContact O-N 3.36Å
400E48.9Very low52.6Low127 Ų12782.1 Ų82.159%0.59341%0.407SS*.Hα-helixtrans-78.2-35-164.7-73.6174.6156.300114.9T402 Q403 Q404E400-T402 PolarHBondContact O-N 3.5Å; E400-Q403 PolarHBondContact O-N 3.48Å; E400-Q403 VanDerWaalsContact O-N 3.12Å; E400-Q404 PolarHBondContact O-N 2.99Å
401L47Very low49.9Very low27 Ų2789.5 Ų89.514%0.14144%0.443CS..Hα-helixtrans-62.9-33-179.1-167.372.7000112.2M248 V252 L405 L424M248-L401 HydrophobicContact CE-CD2 4.06Å; V252-L401 HydrophobicContact CG2-CD2 3.57Å; L401-L405 HydrophobicContact CG-CD1 4.23Å; L401-L405 WeakPolarHBondContact O-CB 3.28Å; L401-L405 WeakPolarHBondContact O-CD1 3.21Å; L401-L405 VanDerWaalsContact O-CG 3.22Å; L401-L405 WeakPolarHBondContact O-CG 3.3Å; L401-L405 PolarHBondContact O-N 3.28Å; L401-L405 VanDerWaalsContact O-N 3.07Å; L401-L424 HydrophobicContact CD1-CD2 3.58Å
402T43.3Very low47.8Very low58 Ų5892.6 Ų92.636%0.35648%0.477SS..Hα-helixtrans-72.4-37178.6-46.80000110.6H254 E400 L406H254-T402 PolarHBondContact NE2-OG1 3.47Å; E400-T402 PolarHBondContact O-N 3.5Å; T402-L406 HydrophobicContact CG2-CD1 4.17Å; T402-L406 WeakPolarHBondContact O-CB 3.46Å; T402-L406 VanDerWaalsContact O-CD1 3.3Å; T402-L406 WeakPolarHBondContact O-CD1 3.36Å; T402-L406 WeakPolarHBondContact O-CG 3.22Å; T402-L406 PolarHBondContact O-N 3.43Å; T402-L406 VanDerWaalsContact O-N 3.11Å
403Q47.2Very low46Very low93 Ų9396.9 Ų96.944%0.43551%0.511SS..Hα-helixtrans-70.9-38174-78.8-172.812.100112.9E400 L405 L406 R407E400-Q403 PolarHBondContact O-N 3.48Å; E400-Q403 VanDerWaalsContact O-N 3.12Å; Q403-L405 VanDerWaalsContact C-N 3.33Å; Q403-L405 PolarHBondContact O-N 2.83Å; Q403-L406 PolarHBondContact O-N 3.2Å; Q403-R407 WeakPolarHBondContact O-CB 3.48Å; Q403-R407 WeakPolarHBondContact O-CG 3.21Å; Q403-R407 PolarHBondContact O-N 3.4Å
404Q51.7Low44.3Very low81 Ų8197.7 Ų97.738%0.37953%0.532SS..Hα-helixtrans-63.4-39.2175.1-113.9171.2-10.800111.7E400 L406 R407 S423E400-Q404 PolarHBondContact O-N 2.99Å; Q404-L406 VanDerWaalsContact C-N 3.35Å; Q404-R407 PolarHBondContact O-N 3.26Å; Q404-S423 PolarHBondContact NE2-O 2.89Å; Q404-S423 VanDerWaalsContact NE2-O 3.1Å
405L46.4Very low43.1Very low73 Ų73103.5 Ų103.538%0.38256%0.56SS.*Hα-helixtrans-71.6-26.1174.7-71.2168.8000113.4L401 Q403L401-L405 HydrophobicContact CG-CD1 4.23Å; L401-L405 WeakPolarHBondContact O-CB 3.28Å; L401-L405 WeakPolarHBondContact O-CD1 3.21Å; L401-L405 VanDerWaalsContact O-CG 3.22Å; L401-L405 WeakPolarHBondContact O-CG 3.3Å; L401-L405 PolarHBondContact O-N 3.28Å; L401-L405 VanDerWaalsContact O-N 3.07Å; Q403-L405 VanDerWaalsContact C-N 3.33Å; Q403-L405 PolarHBondContact O-N 2.83Å
406L44.1Very low42.3Very low139 Ų139105.4 Ų105.473%0.72859%0.593SS**Hα-helixtrans-82.9-19.1175.8-74.1163.8000113T402 Q403 Q404T402-L406 HydrophobicContact CG2-CD1 4.17Å; T402-L406 WeakPolarHBondContact O-CB 3.46Å; T402-L406 VanDerWaalsContact O-CD1 3.3Å; T402-L406 WeakPolarHBondContact O-CD1 3.36Å; T402-L406 WeakPolarHBondContact O-CG 3.22Å; T402-L406 PolarHBondContact O-N 3.43Å; T402-L406 VanDerWaalsContact O-N 3.11Å; Q403-L406 PolarHBondContact O-N 3.2Å; Q404-L406 VanDerWaalsContact C-N 3.35Å
407R45.6Very low40.9Very low190 Ų190109.9 Ų109.972%0.71762%0.624SS**SBendtrans-87.6-5.7-177.4-85.1-177.3178.4154.82.6115.1Q403 Q404 P409Q403-R407 WeakPolarHBondContact O-CB 3.48Å; Q403-R407 WeakPolarHBondContact O-CG 3.21Å; Q403-R407 PolarHBondContact O-N 3.4Å; Q404-R407 PolarHBondContact O-N 3.26Å; R407-P409 WeakPolarHBondContact O-CD 3.49Å
408Q35.2Very low39.9Very low124 Ų124110.7 Ų110.758%0.57964%0.641SS**  trans-81.8108.8172.6-71.5-173.69.500109.9
409P35Very low38.6Very low110 Ų110115.4 Ų115.471%0.71466%0.662SS**  trans-76.8155.1165.50.222.5000108.6R407 E411R407-P409 WeakPolarHBondContact O-CD 3.49Å; P409-E411 PolarHBondContact O-N 2.94Å
410Q45.7Very low37.8Very low201 Ų201116.1 Ų116.194%0.93966%0.663SS**  trans-55.7106.7171.5-74.5-173.4-23.300110.6
411E27.9Very low36.9Very low186 Ų186119.2 Ų119.287%0.86968%0.677SS**  trans-100.9117.3154.3-71.3-166162.700108P409P409-E411 PolarHBondContact O-N 2.94Å
412G31.2Very low36.1Very low72 Ų72122.8 Ų122.874%0.74270%0.704SS**  trans-69.8151.1-176.800000112.7
413S36.4Very low35.5Very low132 Ų132123 Ų12392%0.92371%0.708SS**SBendtrans40102.4151.8-161.60000117.5
414G28.7Very low35Very low69 Ų69121.8 Ų121.871%0.71170%0.704SS**  trans145105.1154.700000115
415L31.1Very low34.1Very low175 Ų175124.1 Ų124.192%0.91672%0.715SS**  trans66.9128.5156.5-136.271.2000118.2T417L415-T417 PolarHBondContact O-N 3.47Å
416G39.1Very low33.5Very low81 Ų81121.9 Ų121.984%0.83571%0.71SS**  trans-59.3125.7-173.900000114.1
417T24.9Very low33.2Very low133 Ų133119.8 Ų119.882%0.81670%0.698SS**  trans-112.7113.4161.419.40000108.8L415 L419L415-T417 PolarHBondContact O-N 3.47Å; T417-L419 PolarHBondContact O-N 3.1Å
418S28.9Very low33Very low116 Ų116116.8 Ų116.881%0.81170%0.695SS**PPolyproline II helixtrans-57124.6167.4-175.80000109.1N420S418-N420 PolarHBondContact O-N 2.99Å
419L28.3Very low33.3Very low140 Ų140112.9 Ų112.973%0.73368%0.678SS**PPolyproline II helixtrans-69.3120171.9-68.9170.3000108.6T417T417-L419 PolarHBondContact O-N 3.1Å
420N27.6Very low33.4Very low112 Ų112116.1 Ų116.160%0.59968%0.684SS**PPolyproline II helixtrans-68.1131.2179.526.9-3.7000112S418 S422S418-N420 PolarHBondContact O-N 2.99Å; N420-S422 PolarHBondContact O-N 3.38Å; N420-S422 VanDerWaalsContact O-N 3.08Å
421E29.4Very low32.7Very low191 Ų191110.3 Ų110.389%0.89366%0.662SS**G310 helixtrans-62.5-10.8-176.6-77-159.513000115.3S423E421-S423 VanDerWaalsContact C-N 3.34Å; E421-S423 PolarHBondContact O-N 2.71Å
422S30.8Very low32.9Very low102 Ų102106.6 Ų106.671%0.71365%0.652SS**G310 helixtrans-82.3-0.2-169.151.10000115.8N420N420-S422 PolarHBondContact O-N 3.38Å; N420-S422 VanDerWaalsContact O-N 3.08Å
423S30.1Very low32.9Very low62 Ų62108.7 Ų108.743%0.43465%0.653SS.*G310 helixtrans-113.617.4-172.8-61.30000115.2Q404 E421Q404-S423 PolarHBondContact NE2-O 2.89Å; Q404-S423 VanDerWaalsContact NE2-O 3.1Å; E421-S423 VanDerWaalsContact C-N 3.34Å; E421-S423 PolarHBondContact O-N 2.71Å
424L36.3Very low32.5Very low68 Ų68105.9 Ų105.936%0.35664%0.644SS.*  trans-118.6100.9-178.6-68.5174.2000111Y396 L401 G426Y396-L424 HydrophobicContact CE1-CB 4.26Å; L401-L424 HydrophobicContact CD1-CD2 3.58Å; L424-G426 PolarHBondContact O-N 3.33Å; L424-G426 VanDerWaalsContact O-N 3.13Å
425Q33.8Very low32.4Very low131 Ų131111.6 Ų111.661%0.61265%0.653SS**  trans-66.1109.6167.5-10979.910.400109.4
426G32.8Very low32.4Very low26 Ų26109.2 Ų109.227%0.26865%0.648SS.*  trans-111.3145.716900000110.3L424 I428L424-G426 PolarHBondContact O-N 3.33Å; L424-G426 VanDerWaalsContact O-N 3.13Å; G426-I428 PolarHBondContact O-N 3.3Å
427I39.4Very low32Very low94 Ų94109.1 Ų109.148%0.48265%0.647SS.*BIsolated β-bridgetrans-73.3120.7171-58.2173.7000107.8E397E397-I427 HydrophobicContact CG-CD1 4.29Å
428I40.8Very low32Very low128 Ų128114.9 Ų114.966%0.65665%0.653SS**  trans-86.7133175-61.2174.6000108.6G426 E430G426-I428 PolarHBondContact O-N 3.3Å; I428-E430 PolarHBondContact O-N 3.13Å
429L40.4Very low31.8Very low41 Ų41117.6 Ų117.622%0.21565%0.651CS.*  trans-76111.7172.5-60.4176.8000109.5F370 P373 L391 L393F370-L429 HydrophobicContact CD1-CB 4.47Å; F370-L429 HydrophobicContact CE1-CB 4.2Å; P373-L429 HydrophobicContact CG-CD1 4.47Å; P373-L429 HydrophobicContact CG-CD2 3.63Å; L391-L429 HydrophobicContact CD2-CD1 4.31Å; L393-L429 HydrophobicContact CD2-CB 4.37Å; L393-L429 HydrophobicContact CD2-CD1 4.27Å
430E37.4Very low31.6Very low178 Ų178118.4 Ų118.483%0.83265%0.65SS**PPolyproline II helixtrans-77.9141.2179-65.6-171.2163.900112.7I428I428-E430 PolarHBondContact O-N 3.13Å
431T32.2Very low31.4Very low80 Ų80122.1 Ų122.149%0.49166%0.664SS.*PPolyproline II helixtrans-93126.5168.9520000109.2F370 P433F370-T431 HydrophobicContact CE1-CG2 4.43Å; F370-T431 HydrophobicContact CE2-CG2 4Å; F370-T431 HydrophobicContact CZ-CG2 3.72Å; T431-P433 VanDerWaalsContact O-CD 3.32Å; T431-P433 WeakPolarHBondContact O-CD 3.26Å
432V31.8Very low31.1Very low107 Ų107121.9 Ų121.965%0.64866%0.663SS**PPolyproline II helixtrans-70.8120.9173.5-177.40000109.2G434V432-G434 PolarHBondContact O-N 3.41Å
433P31.7Very low30.8Very low117 Ų117126.5 Ų126.576%0.7667%0.673SS**PPolyproline II helixtrans-68.8128.9172-13.729.2000109.7T431T431-P433 VanDerWaalsContact O-CD 3.32Å; T431-P433 WeakPolarHBondContact O-CD 3.26Å
434G27.2Very low30.5Very low73 Ų73133 Ų13375%0.75370%0.697SS**PPolyproline II helixtrans-84.1124.2172.900000110.7V432V432-G434 PolarHBondContact O-N 3.41Å
435E26.7Very low30Very low189 Ų189133.3 Ų133.388%0.88372%0.717SS**PPolyproline II helixtrans-74.6142.6172.5-70-160.214000112
436P30.4Very low29.6Very low125 Ų125136.8 Ų136.881%0.81273%0.73SS**PPolyproline II helixtrans-85.3134.7168.333.9-28000110.2
437G30.5Very low29.1Very low79 Ų79142.6 Ų142.681%0.81476%0.76SS**PPolyproline II helixtrans-65.4149.9-175.300000115.4
438R25.4Very low28.4Very low254 Ų254141.9 Ų141.996%0.95878%0.776SS**  trans-141149.1156.6-92.5-173.9177.8-177.5-1111.1
439K24.1Very low27.6Very low173 Ų173144 Ų14475%0.75279%0.789SS**  trans-87.8158.1-172.2-68.6176.5156.6-150.70113.1
440E23.8Very low26.8Very low156 Ų156144.6 Ų144.673%0.72980%0.804SS**  trans58.7130.7146.5-64.8158.5-151.600115.6
441E24.3Very low26.2Very low190 Ų190143.3 Ų143.389%0.88881%0.809SS**  cis-162170.948.8-75.7-179.9148.500112
442E23.6Very low25.8Very low187 Ų187143.6 Ų143.687%0.87482%0.819SS**  trans-71.3150.9-178.3-59.3168138.200115
443E24.6Very low25.4Very low198 Ų198146.5 Ų146.593%0.92583%0.83SS**  -177.1152.8118.6-109.6-168.5166.700113.5
444E23.6Very low25.1Very low199 Ų199146.3 Ų146.393%0.9383%0.831SS**  trans-80.8163.5-167-57178.5127.900115.8
445G24.6Very low24.9Very low75 Ų75147.5 Ų147.577%0.77384%0.835SS**  trans16972.3161.800000120.7
446K25.4Very low24.9Very low203 Ų203144 Ų14488%0.88383%0.831SS**  trans47.6113135.8-120175.5-177.8175.10124
447V24Very low24.7Very low148 Ų148147.1 Ų147.190%0.89784%0.835SS**  35.7129.8126.2-170.80000121.8
448G25Very low24.5Very low79 Ų79150.7 Ų150.781%0.81484%0.835SS**  trans-176.3122155.100000114.7
449D22.8Very low24.6Very low174 Ų174146.4 Ų146.493%0.9383%0.831SS**  trans-79.3163.8-166.9-170.416.3000115.9
450G24.3Very low24.7Very low53 Ų53144 Ų14455%0.54683%0.833SS.*  trans123.496.614300000121.3
451T24.9Very low24.9Very low151 Ų151141.7 Ų141.793%0.92683%0.834SS**  trans81.6125.3131.7-11.70000122.3
452A22.3Very low25.1Very low85 Ų85138 Ų13870%0.70283%0.83SS**  trans-68.9153.8-179.800000116.2
453L24.3Very low25.5Very low168 Ų168134.6 Ų134.688%0.8882%0.821SS**  trans-157.2116.3139.6-88.6-178.9000112
454S25.3Very low25.8Very low113 Ų113130.2 Ų130.279%0.7980%0.803SS**  trans40.8108.5149.961.20000121.7
455A23.4Very low26.1Very low99 Ų99127.2 Ų127.282%0.81879%0.789SS**  trans-83.8130158.900000111.7
456S26.6Very low26.6Very low114 Ų114127.8 Ų127.880%0.79778%0.777SS**  trans-90.2117.8150.842.30000107.8D458S456-D458 PolarHBondContact O-N 3.49Å
457Q26.3Very low27Very low192 Ų192121.4 Ų121.490%0.89776%0.755SS**  trans-74.6103.7177.6-73.9177.1-20.100110.3
458D25.1Very low27.5Very low153 Ų153119.2 Ų119.282%0.81874%0.738SS**  trans-108.8125.7152.2-94.1-45.1000107.5S456 P460S456-D458 PolarHBondContact O-N 3.49Å; D458-P460 WeakPolarHBondContact O-CD 3.41Å
459N28.2Very low28.1Very low165 Ų165120.8 Ų120.888%0.88272%0.724SS**PPolyproline II helixtrans-65121.8174.8-95.6-27.3000110.6
460P26.8Very low28.8Very low121 Ų121117 Ų11779%0.78671%0.708SS**PPolyproline II helixtrans-90.9123170.932.3-25.3000110.6D458D458-P460 WeakPolarHBondContact O-CD 3.41Å
461S27.5Very low29.8Very low109 Ų109116.8 Ų116.876%0.76269%0.694SS**PPolyproline II helixtrans-73.5133.4164.4-61.30000109.3V463S461-V463 PolarHBondContact O-N 2.84Å
462S29.5Very low30.7Very low113 Ų113115.1 Ų115.179%0.7970%0.695SS**PPolyproline II helixtrans-63.8118.7175.2-490000110.5
463V31.1Very low31.6Very low115 Ų115118.9 Ų118.970%0.69770%0.698SS**PPolyproline II helixtrans-83.7118.6177.3178.70000109.1S461S461-V463 PolarHBondContact O-N 2.84Å
464I31.7Very low32.2Very low105 Ų105113.6 Ų113.654%0.53869%0.685SS.*PPolyproline II helixtrans-91.6122.4173.6-59.4172.1000108.3V466 Y480I464-V466 HydrophobicContact CG2-CG2 4.5Å; I464-Y480 HydrophobicContact CG2-CD1 4.18Å
465H29.5Very low32.7Very low137 Ų137114.4 Ų114.463%0.63468%0.676SS**EExtended strand (participates in β ladder)trans-96.9128.8169.4-91-87.2000110.7
466V34.2Very low33Very low86 Ų86117 Ų11752%0.52167%0.671SS.*EExtended strand (participates in β ladder)trans-104.2124.3176.3-177.80000108.5I464 I478 Y480I464-V466 HydrophobicContact CG2-CG2 4.5Å; V466-I478 HydrophobicContact CG1-CG2 3.77Å; V466-Y480 HydrophobicContact CG2-CD1 4.14Å; V466-Y480 HydrophobicContact CG2-CE1 4.05Å
467V34.5Very low33.2Very low70 Ų70116.8 Ų116.842%0.42466%0.658SS.*EExtended strand (participates in β ladder)trans-124.9125.2171.8-175.50000108.7Q469V467-Q469 HydrophobicContact CG1-CG 4.3Å
468N34.9Very low33.5Very low102 Ų102111.9 Ų111.955%0.54564%0.637SS.*EExtended strand (participates in β ladder)trans-78.3118.7173.6-109.8-24000108.9I478N468-I478 WeakPolarHBondContact OD1-CG1 3.28Å
469Q36.4Very low33.8Very low111 Ų111107.1 Ų107.152%0.51961%0.613SS.*EExtended strand (participates in β ladder)trans-120.8150.6168.3-68-170.127.300110.3V467 E477V467-Q469 HydrophobicContact CG1-CG 4.3Å; Q469-E477 PolarHBondContact N-O 2.77Å; Q469-E477 PolarHBondContact O-N 3.35Å; Q469-E477 VanDerWaalsContact O-O 3.13Å
470T38.6Very low34.1Very low95 Ų95105.3 Ų105.358%0.58360%0.595SS**EExtended strand (participates in β ladder)trans-103.9121.9176.5-100000107.4Q475 Q476T470-Q475 WeakPolarHBondContact CA-O 3.34Å; T470-Q476 HydrophobicContact CG2-CG 4.17Å
471N44.6Very low34.2Very low48 Ų48106 Ų10626%0.25758%0.583SS.*  trans-70.9170.1178.476.118.1000110.9Q473 G474 Q475N471-Q473 PolarHBondContact O-N 2.88Å; N471-Q473 WeakPolarHBondContact OD1-CA 3.33Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.28Å; N471-Q473 PolarHBondContact OD1-N 3.37Å; N471-G474 PolarHBondContact O-N 2.99Å; N471-G474 PolarHBondContact OD1-N 3.2Å; N471-Q475 PolarHBondContact N-O 3.38Å; N471-Q475 PolarHBondContact OD1-N 3.45Å
472A43.2Very low34.4Very low116 Ų116105.8 Ų105.896%0.95958%0.577SS**THydrogen-bonded Turntrans-62-6.3-176.400000114.9
473Q41.4Very low34.2Very low164 Ų164108.5 Ų108.577%0.76658%0.581SS**THydrogen-bonded Turntrans-105.38.2176-64.21685.500112.5N471 Q475N471-Q473 PolarHBondContact O-N 2.88Å; N471-Q473 WeakPolarHBondContact OD1-CA 3.33Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.28Å; N471-Q473 PolarHBondContact OD1-N 3.37Å; Q473-Q475 VanDerWaalsContact C-N 3.34Å; Q473-Q475 PolarHBondContact O-N 3.32Å
474G38.3Very low34.1Very low58 Ų58108 Ų10860%0.59858%0.583SS**SBendtrans78.711.8173.800000115N471N471-G474 PolarHBondContact O-N 2.99Å; N471-G474 PolarHBondContact OD1-N 3.2Å
475Q33.9Very low34Very low129 Ų129112.2 Ų112.260%0.60360%0.6SS**  trans-91.7135.4174.8-66.5-179.1-17.400110.2T470 N471 Q473 E477T470-Q475 WeakPolarHBondContact CA-O 3.34Å; N471-Q475 PolarHBondContact N-O 3.38Å; N471-Q475 PolarHBondContact OD1-N 3.45Å; Q473-Q475 VanDerWaalsContact C-N 3.34Å; Q473-Q475 PolarHBondContact O-N 3.32Å; Q475-E477 PolarHBondContact O-N 3.1Å
476Q31Very low34Very low154 Ų154110 Ų11072%0.7261%0.606SS**EExtended strand (participates in β ladder)trans-73.1123175.9-72.3-175.9-20.600109.5T470T470-Q476 HydrophobicContact CG2-CG 4.17Å
477E29.9Very low33.8Very low109 Ų109112.1 Ų112.151%0.50962%0.622SS.*EExtended strand (participates in β ladder)trans-118.6122.1179.2-154.1168.8-164.700108.3Q469 Q475Q469-E477 PolarHBondContact N-O 2.77Å; Q469-E477 PolarHBondContact O-N 3.35Å; Q469-E477 VanDerWaalsContact O-O 3.13Å; Q475-E477 PolarHBondContact O-N 3.1Å
478I33.1Very low33.5Very low89 Ų89112.2 Ų112.246%0.45664%0.636SS.*EExtended strand (participates in β ladder)trans-91.9107.4178-57.9174.6000107V466 N468 Y480V466-I478 HydrophobicContact CG1-CG2 3.77Å; N468-I478 WeakPolarHBondContact OD1-CG1 3.28Å; I478-Y480 HydrophobicContact CG2-CE1 4.2Å; I478-Y480 HydrophobicContact CG2-CE2 3.92Å
479V31.2Very low33.2Very low53 Ų53116.4 Ų116.432%0.32165%0.653SS.*EExtended strand (participates in β ladder)trans-100.9125.4178.9-175.50000109Y481V479-Y481 HydrophobicContact CB-CE2 4.45Å; V479-Y481 HydrophobicContact CG1-CD2 4.5Å; V479-Y481 HydrophobicContact CG1-CE1 4.44Å; V479-Y481 HydrophobicContact CG1-CE2 3.98Å
480Y34.3Very low33Very low127 Ų127116.6 Ų116.650%0.49866%0.664SS.*EExtended strand (participates in β ladder)trans-97.3124175.2-57.6-88.2000109.2I464 V466 I478I464-Y480 HydrophobicContact CG2-CD1 4.18Å; V466-Y480 HydrophobicContact CG2-CD1 4.14Å; V466-Y480 HydrophobicContact CG2-CE1 4.05Å; I478-Y480 HydrophobicContact CG2-CE1 4.2Å; I478-Y480 HydrophobicContact CG2-CE2 3.92Å
481Y29Very low32.6Very low136 Ų136117.5 Ų117.553%0.53367%0.671SS.*EExtended strand (participates in β ladder)trans-99.7122.1169.3-64.8-83.3000109.1V479V479-Y481 HydrophobicContact CB-CE2 4.45Å; V479-Y481 HydrophobicContact CG1-CD2 4.5Å; V479-Y481 HydrophobicContact CG1-CE1 4.44Å; V479-Y481 HydrophobicContact CG1-CE2 3.98Å
482V31.2Very low31.9Very low105 Ų105121.1 Ų121.164%0.63670%0.697SS**  trans-100.9109.7165.5-177.50000106.2S484V482-S484 PolarHBondContact O-N 2.7Å; V482-S484 VanDerWaalsContact O-N 3.15Å
483L26.8Very low31.4Very low169 Ų169120 Ų12089%0.88569%0.688SS**  trans-75.599.9171.2-78.7165.2000107.9
484S28.4Very low31Very low106 Ų106118.2 Ų118.274%0.74169%0.691SS**  trans-84.8112.8169.8-44.40000108.4V482V482-S484 PolarHBondContact O-N 2.7Å; V482-S484 VanDerWaalsContact O-N 3.15Å
485E28.8Very low30.8Very low192 Ų192124 Ų12490%0.89770%0.702SS**  trans-70.3140.7163-73.5-174.6162.100109.4
486A29.5Very low30.7Very low90 Ų90123.4 Ų123.474%0.74471%0.709SS**  trans-58.2155.5-171.700000113.3G488A486-G488 PolarHBondContact O-N 3.46Å
487P31.7Very low30.9Very low132 Ų132122.3 Ų122.386%0.85772%0.715SS**  trans-72.3114.1-171.228.6-31.7000111.4
488G28.1Very low31Very low71 Ų71122.9 Ų122.973%0.73273%0.732SS**PPolyproline II helixtrans-75.6151.1162.400000111.6A486A486-G488 PolarHBondContact O-N 3.46Å
489E29.1Very low31Very low191 Ų191122.1 Ų122.189%0.89375%0.746SS**PPolyproline II helixtrans-51148.1-178.2-79.1-176.7144.300114.1
490P30.9Very low31.5Very low115 Ų115123.4 Ų123.475%0.74777%0.769SS**PPolyproline II helixtrans-69.2140.3-179.929.7-32.8000110.9
491P30.8Very low31.5Very low113 Ų113125.1 Ų125.173%0.73479%0.785SS**PPolyproline II helixtrans-70.1155.3174.430.2-32.9000110.8
492P30.2Very low32Very low125 Ų125127.5 Ų127.581%0.81280%0.803SS**PPolyproline II helixtrans-66.6146.4179.228-32.6000111.2
493A32.4Very low32.3Very low92 Ų92131 Ų13176%0.7681%0.813SS**PPolyproline II helixtrans-58.7140.1-177.600000112.2
494P32.3Very low33Very low127 Ų127132.2 Ų132.283%0.82581%0.811SS**PPolyproline II helixtrans-72.6138.5172.829.1-31.2000110.7
495E33.5Very low33.5Very low180 Ų180135.7 Ų135.784%0.84182%0.82SS**PPolyproline II helixtrans-61.7150172.8-71.7-164.5166.900112
496P32.1Very low33.9Very low116 Ų116135.5 Ų135.575%0.75382%0.819SS**PPolyproline II helixtrans-69.9137.9-174.928.6-33.9000111.4S498P496-S498 PolarHBondContact O-N 3.01Å
497P34.9Very low34.2Very low130 Ų130134.1 Ų134.184%0.84481%0.814SS**PPolyproline II helixtrans-71.8116.4172.427.6-30.3000109.9
498S33Very low34.2Very low122 Ų122136.1 Ų136.185%0.85382%0.816SS**PPolyproline II helixtrans-68.7123.2158.752.80000109.8P496P496-S498 PolarHBondContact O-N 3.01Å
499G33.4Very low34.3Very low73 Ų73139.2 Ų139.275%0.75382%0.82SS**SBendtrans105.3107.1157.600000116.6
500G40.6Very low34.4Very low79 Ų79139.3 Ų139.381%0.81482%0.821SS**  trans58.787.6133.300000119.3
501I35.5Very low34.5Very low163 Ų163142.5 Ų142.584%0.83683%0.826SS**  trans-13370.7152.4-47.5177.1000108.5
502M37.9Very low34.5Very low186 Ų186143 Ų14392%0.91683%0.829SS**  trans-12546.2164.4-83.4-137.2-66.500110.2
503E39.5Very low34.3Very low178 Ų178145.8 Ų145.883%0.83283%0.831SS**SBendtrans-142.721-179.7-107.8178.7164.300115.3
504K40.6Very low34Very low195 Ų195149.2 Ų149.285%0.84884%0.835SS**SBendtrans-137.874.8165.5-80.7-175.1176.9175.10110.1
505L38.2Very low33.6Very low179 Ų179151.5 Ų151.594%0.93784%0.835SS**  trans179.241.3151.2-92.7165.5000109.9
506Q37.9Very low33.4Very low188 Ų188151.3 Ų151.388%0.87984%0.836SS**  trans-102.8105.4159.2-83.2178.2-9.500106.9
507G34.7Very low33.5Very low61 Ų61156 Ų15663%0.62986%0.862SS**  trans171.8110.4179.700000107.9
508I33.4Very low33.4Very low175 Ų175157.3 Ų157.390%0.89786%0.863SS**  trans91.259.6-177.7-37.2154.7000113.7
509T29.5Very low33.4Very low135 Ų135159.2 Ų159.283%0.82886%0.863SS**  trans-114.7104.2146.746.30000106.6
510E30.9Very low33.4Very low193 Ų193163.9 Ų163.990%0.90287%0.87SS**  trans-120.6107.2157.9-75.5-17417000105.8
511E32.5Very low33Very low183 Ų183168.9 Ų168.986%0.85587%0.873SS**PPolyproline II helixtrans-87.5140.1162.7-68.3-179.3149.800107.6
512P31.8Very low32.9Very low122 Ų122169.3 Ų169.379%0.79288%0.875SS**PPolyproline II helixtrans-79128.6166.630.3-28.6000110.1I514P512-I514 PolarHBondContact O-N 3.46Å
513E25.1Very low32.5Very low185 Ų185168.2 Ų168.286%0.86487%0.872SS**PPolyproline II helixtrans-62.3123.8170.8-71.6179147.200110.6
514I26.1Very low32Very low163 Ų163167.5 Ų167.584%0.83688%0.875SS**  trans-82.7107.8162.1-63.5169.5000105.9P512P512-I514 PolarHBondContact O-N 3.46Å
515Q24.9Very low31.4Very low176 Ų176165.4 Ų165.482%0.82288%0.877SS**  trans-96.9116.4169.1-136170.624.300108.2V517Q515-V517 PolarHBondContact O-N 3.39Å
516M29.3Very low30.8Very low176 Ų176164.3 Ų164.387%0.86787%0.872SS**  trans-70.6115.8168.9-65.8172.35600109.3
517V33.6Very low30.2Very low214 Ų214162.1 Ų162.1100%1.29787%0.872SS**  trans-138.30142-179.60000107Q515Q515-V517 PolarHBondContact O-N 3.39Å

Retrieved 517 of 517 residues in 175.9 ms (Link to these results)

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