X2JIB5_DROME Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession X2JIB5, Species DROME (Drosophila melanogaster, Fruit fly), Gene CG6911, Length 374 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
1M40.4Very low47.2Very low243 Ų243152.9 Ų152.9100%1.19776%0.758SS**  089.70-67.8-172.1-157.200110.7
2T39.7Very low49.9Very low141 Ų141152.6 Ų152.687%0.86575%0.748SS**  trans-143.727169.946.90000112.4
3H43.1Very low52.5Low157 Ų157146.8 Ų146.873%0.72772%0.717SS**SBendtrans-103.1-9.9177.8-168.347.8000114.3
4I37Very low54.9Low159 Ų159141.5 Ų141.582%0.81570%0.697SS**SBendtrans-102.617.2-175.8-48.6177.3000112.1
5R43.3Very low56.8Low223 Ų223132.1 Ų132.184%0.84265%0.651SS**SBendtrans-101.77.8176.1-144.6176.1-167.1163.44.5115.1
6N42.5Very low58.6Low131 Ų131130.1 Ų130.170%0.70165%0.648SS**SBendtrans-106.7-3.5178.5-87.3-21.9000114.8
7H43.2Very low59.9Low173 Ų173130.4 Ų130.480%0.80164%0.642SS**SBendtrans-91.60.4174.5-73.9-73000113.8
8S46.9Very low61.2Low110 Ų110126.3 Ų126.377%0.76963%0.627SS**SBendtrans-131.725.3-178.9-158.30000113.1E10S8-E10 PolarHBondContact O-N 2.67Å
9A55.3Low62.4Low42 Ų42127.5 Ų127.535%0.34763%0.63SS.*  trans-86102.7168.200000107.8R11 T23A9-R11 PolarHBondContact O-N 3.12Å; A9-T23 HydrophobicContact CB-CG2 3.49Å; A9-T23 VanDerWaalsContact CB-CG2 3.49Å
10E60.6Low63.3Low141 Ų141127.2 Ų127.266%0.65963%0.625SS**  trans-49.9104.8167-69.8178164.600108.1S8 K12S8-E10 PolarHBondContact O-N 2.67Å; E10-K12 HydrophobicContact CB-CG 4.04Å; E10-K12 PolarHBondContact O-N 2.75Å; E10-K12 WeakPolarHBondContact OE2-CE 3Å; E10-K12 IonicContact OE2-NZ 2.86Å; E10-K12 PolarHBondContact OE2-NZ 3.48Å
11R67.4Low64.3Low162 Ų162122 Ų12261%0.61160%0.604SS**  trans-78.273.3177.7-74.8173.4175.1157.71.8108.1A9 F13 G21 F22 T23A9-R11 PolarHBondContact O-N 3.12Å; R11-F13 PolarHBondContact O-N 3.2Å; R11-G21 WeakPolarHBondContact CD-O 3.4Å; R11-F22 CarbonylContact C-O 3.48Å; R11-F22 WeakPolarHBondContact CA-O 3.47Å; R11-T23 HydrophobicContact CG-CG2 4.29Å
12K78.8Confident66.5Low149 Ų149111.8 Ų111.865%0.64855%0.553SS**  trans-62.6-24.5-174.9-64.9-176.8-177.4-172.60113.1E10 F22E10-K12 HydrophobicContact CB-CG 4.04Å; E10-K12 PolarHBondContact O-N 2.75Å; E10-K12 WeakPolarHBondContact OE2-CE 3Å; E10-K12 IonicContact OE2-NZ 2.86Å; E10-K12 PolarHBondContact OE2-NZ 3.48Å; K12-F22 PolarHBondContact N-O 3.41Å
13F84Confident68.8Low78 Ų78108.5 Ų108.534%0.34253%0.533SS..EExtended strand (participates in β ladder)trans-107.3109-174.8-56.6-74.1000109.7R11 G21 F22 Q24 A25 L28R11-F13 PolarHBondContact O-N 3.2Å; F13-G21 CarbonylContact O-C 3.4Å; F13-G21 WeakPolarHBondContact O-CA 3.42Å; F13-F22 HydrophobicContact CB-CB 4.32Å; F13-F22 PolarHBondContact N-O 3.29Å; F13-F22 PolarHBondContact O-N 3.33Å; F13-Q24 VanDerWaalsContact CD2-C 3.43Å; F13-A25 HydrophobicContact CD1-CB 3.79Å; F13-A25 HydrophobicContact CD2-CB 4.35Å; F13-A25 VanDerWaalsContact CD2-N 3.27Å; F13-A25 HydrophobicContact CE1-CB 3.63Å; F13-A25 HydrophobicContact CE2-CB 4.19Å; F13-A25 HydrophobicContact CG-CB 4.15Å; F13-A25 HydrophobicContact CZ-CB 3.83Å; F13-L28 HydrophobicContact CB-CB 3.96Å; F13-L28 HydrophobicContact CB-CD2 3.73Å; F13-L28 HydrophobicContact CB-CG 4.45Å
14V86Confident70.9Confident72 Ų72106.3 Ų106.344%0.43652%0.523SS..EExtended strand (participates in β ladder)trans-111132.5-175.9-1790000109.7T16 H19V14-T16 PolarHBondContact O-N 2.94Å; V14-H19 HydrophobicContact CG1-CB 4.34Å
15C83Confident73.3Confident0 Ų0100.9 Ų100.90%050%0.502CS..  trans-66.9127174-178.20000110.6Y17 C18 H19 K20 F22 L28 H31C15-Y17 VanDerWaalsContact C-N 3.28Å; C15-Y17 PolarHBondContact O-N 2.85Å; C15-Y17 PolarHBondContact SG-N 3.31Å; C15-C18 VanDerWaalsContact SG-SG 3.67Å; C15-H19 WeakPolarHBondContact O-CA 3.48Å; C15-H19 PolarHBondContact O-N 3.17Å; C15-K20 PolarHBondContact N-O 3.32Å; C15-F22 HydrophobicContact CB-CE2 4.24Å; C15-L28 VanDerWaalsContact CA-CD1 3.45Å; C15-L28 HydrophobicContact CB-CD1 3.7Å; C15-H31 VanDerWaalsContact SG-CD2 3.54Å; C15-H31 PolarHBondContact SG-NE2 3.24Å
16T86.9Confident75.4Confident100 Ų10093 Ų9361%0.61348%0.484SS*.THydrogen-bonded Turntrans-70.4-26.4178.552.40000112.6V14V14-T16 PolarHBondContact O-N 2.94Å
17Y80.6Confident77.5Confident136 Ų13690 Ų9053%0.53347%0.469SS..THydrogen-bonded Turntrans-81.3-33.6-178.6-62.3-82.1000114.4C15 H35C15-Y17 VanDerWaalsContact C-N 3.28Å; C15-Y17 PolarHBondContact O-N 2.85Å; C15-Y17 PolarHBondContact SG-N 3.31Å; Y17-H35 HydrophobicContact CD1-CB 4.08Å; Y17-H35 HydrophobicContact CD2-CB 3.69Å; Y17-H35 AromaticContact CD2-CD2 3.75Å; Y17-H35 AromaticContact CD2-CG 3.73Å; Y17-H35 HydrophobicContact CE1-CB 4.36Å; Y17-H35 HydrophobicContact CE2-CB 4Å; Y17-H35 HydrophobicContact CG-CB 3.73Å; Y17-H35 AromaticContact CG-CD2 3.86Å; Y17-H35 AromaticContact CG-CG 3.58Å; Y17-H35 AromaticContact CG-ND1 3.98Å
18C82.6Confident79.6Confident56 Ų5682.8 Ų82.838%0.37844%0.436SS..THydrogen-bonded Turntrans-137.18.7-174.569.10000114.5C15 K20 H31C15-C18 VanDerWaalsContact SG-SG 3.67Å; C18-K20 PolarHBondContact O-N 3.24Å; C18-H31 PolarHBondContact SG-NE2 3Å
19H84.8Confident81.6Confident149 Ų14985.6 Ų85.669%0.6943%0.429SS*.  trans55.717.2178.1-52.9-60.5000115.1V14 C15 G21V14-H19 HydrophobicContact CG1-CB 4.34Å; C15-H19 WeakPolarHBondContact O-CA 3.48Å; C15-H19 PolarHBondContact O-N 3.17Å; H19-G21 PolarHBondContact O-N 3.04Å
20K79.3Confident83.1Confident121 Ų12185.5 Ų85.553%0.52642%0.423SS..  trans-72.1126.9175.4-169.5173.5-177.8-1760110.1C15 C18 F22C15-K20 PolarHBondContact N-O 3.32Å; C18-K20 PolarHBondContact O-N 3.24Å; K20-F22 HydrophobicContact CB-CE2 4.02Å; K20-F22 HydrophobicContact CB-CZ 4.32Å; K20-F22 HydrophobicContact CD-CE2 4.4Å; K20-F22 HydrophobicContact CD-CZ 3.86Å; K20-F22 HydrophobicContact CG-CE2 4.02Å; K20-F22 HydrophobicContact CG-CZ 3.96Å; K20-F22 VanDerWaalsContact O-CD2 3.29Å; K20-F22 WeakPolarHBondContact O-CD2 3.33Å; K20-F22 WeakPolarHBondContact O-CE2 3.39Å
21G85.4Confident84.3Confident18 Ų1880 Ų8019%0.18640%0.397CS..EExtended strand (participates in β ladder)trans-88141.5179.200000113.8R11 F13 H19R11-G21 WeakPolarHBondContact CD-O 3.4Å; F13-G21 CarbonylContact O-C 3.4Å; F13-G21 WeakPolarHBondContact O-CA 3.42Å; H19-G21 PolarHBondContact O-N 3.04Å
22F86.6Confident85.2Confident30 Ų3074.9 Ų74.913%0.13238%0.38CS..EExtended strand (participates in β ladder)trans-127.9148.6179.2-60.8-91.8000110.2R11 K12 F13 C15 K20 N27 L28 H31R11-F22 CarbonylContact C-O 3.48Å; R11-F22 WeakPolarHBondContact CA-O 3.47Å; K12-F22 PolarHBondContact N-O 3.41Å; F13-F22 HydrophobicContact CB-CB 4.32Å; F13-F22 PolarHBondContact N-O 3.29Å; F13-F22 PolarHBondContact O-N 3.33Å; C15-F22 HydrophobicContact CB-CE2 4.24Å; K20-F22 HydrophobicContact CB-CE2 4.02Å; K20-F22 HydrophobicContact CB-CZ 4.32Å; K20-F22 HydrophobicContact CD-CE2 4.4Å; K20-F22 HydrophobicContact CD-CZ 3.86Å; K20-F22 HydrophobicContact CG-CE2 4.02Å; K20-F22 HydrophobicContact CG-CZ 3.96Å; K20-F22 VanDerWaalsContact O-CD2 3.29Å; K20-F22 WeakPolarHBondContact O-CD2 3.33Å; K20-F22 WeakPolarHBondContact O-CE2 3.39Å; F22-N27 HydrophobicContact CB-CB 4.46Å; F22-N27 HydrophobicContact CD1-CB 3.95Å; F22-L28 HydrophobicContact CB-CB 4.19Å; F22-L28 HydrophobicContact CD2-CB 3.93Å; F22-L28 HydrophobicContact CD2-CD1 3.76Å; F22-L28 HydrophobicContact CD2-CG 4.45Å; F22-L28 HydrophobicContact CE2-CD1 3.94Å; F22-L28 HydrophobicContact CG-CB 4.15Å; F22-H31 HydrophobicContact CE1-CB 3.83Å; F22-H31 HydrophobicContact CE2-CB 4.01Å; F22-H31 AromaticContact CE2-CD2 3.38Å; F22-H31 WeakPolarHBondContact CE2-CD2 3.2Å; F22-H31 AromaticContact CE2-CG 3.71Å; F22-H31 AromaticContact CE2-NE2 3.99Å; F22-H31 HydrophobicContact CZ-CB 3.4Å; F22-H31 VanDerWaalsContact CZ-CB 3.4Å; F22-H31 AromaticContact CZ-CD2 3.36Å; F22-H31 WeakPolarHBondContact CZ-CD2 3.45Å; F22-H31 AromaticContact CZ-CG 3.18Å; F22-H31 AromaticContact CZ-ND1 3.71Å; F22-H31 AromaticContact CZ-NE2 3.92Å
23T86.9Confident85.6Confident71 Ų7169.8 Ų69.844%0.43636%0.357SS..SBendtrans-83.6-16.7178.754.80000112.9A9 R11A9-T23 HydrophobicContact CB-CG2 3.49Å; A9-T23 VanDerWaalsContact CB-CG2 3.49Å; R11-T23 HydrophobicContact CG-CG2 4.29Å
24Q87.3Confident85.5Confident112 Ų11271 Ų7152%0.52337%0.366SS..SBendtrans-135.8137.5-177.7-62.21777.400110.2F13 A26 N27 L28F13-Q24 VanDerWaalsContact CD2-C 3.43Å; Q24-A26 VanDerWaalsContact C-N 3.28Å; Q24-A26 PolarHBondContact O-N 3.4Å; Q24-N27 HydrophobicContact CB-CB 4.46Å; Q24-N27 PolarHBondContact O-N 3.06Å; Q24-N27 VanDerWaalsContact O-N 3.13Å; Q24-L28 PolarHBondContact O-N 2.8Å
25A87.8Confident85.4Confident44 Ų4470.8 Ų70.836%0.36436%0.36SS..Hα-helixtrans-59.1-37.7178.300000112.6F13 N27 L28 R29F13-A25 HydrophobicContact CD1-CB 3.79Å; F13-A25 HydrophobicContact CD2-CB 4.35Å; F13-A25 VanDerWaalsContact CD2-N 3.27Å; F13-A25 HydrophobicContact CE1-CB 3.63Å; F13-A25 HydrophobicContact CE2-CB 4.19Å; F13-A25 HydrophobicContact CG-CB 4.15Å; F13-A25 HydrophobicContact CZ-CB 3.83Å; A25-N27 VanDerWaalsContact C-N 3.28Å; A25-N27 PolarHBondContact O-N 3.39Å; A25-L28 WeakPolarHBondContact O-CB 3.46Å; A25-L28 PolarHBondContact O-N 2.83Å; A25-R29 PolarHBondContact O-N 2.98Å
26A87.1Confident85.5Confident58 Ų5874.5 Ų74.548%0.47938%0.383SS..Hα-helixtrans-61-37.5177.500000112.4Q24 R29 N30Q24-A26 VanDerWaalsContact C-N 3.28Å; Q24-A26 PolarHBondContact O-N 3.4Å; A26-R29 PolarHBondContact O-N 2.74Å; A26-N30 WeakPolarHBondContact O-CB 3.42Å; A26-N30 VanDerWaalsContact O-CG 3.31Å; A26-N30 PolarHBondContact O-N 3.44Å; A26-N30 PolarHBondContact O-ND2 2.8Å
27N88Confident85.3Confident69 Ų6975.2 Ų75.237%0.36938%0.383SS..Hα-helixtrans-71.6-37.4177.1-68.8-22.8000111.8F22 Q24 A25 H31F22-N27 HydrophobicContact CB-CB 4.46Å; F22-N27 HydrophobicContact CD1-CB 3.95Å; Q24-N27 HydrophobicContact CB-CB 4.46Å; Q24-N27 PolarHBondContact O-N 3.06Å; Q24-N27 VanDerWaalsContact O-N 3.13Å; A25-N27 VanDerWaalsContact C-N 3.28Å; A25-N27 PolarHBondContact O-N 3.39Å; N27-H31 WeakPolarHBondContact O-CB 3.38Å; N27-H31 PolarHBondContact O-N 3.24Å
28L87.4Confident85.6Confident20 Ų2072 Ų7211%0.10538%0.375CS..Hα-helixtrans-60.7-51.6171.2170.560.6000110.6F13 C15 F22 Q24 A25 N30 H31 E32F13-L28 HydrophobicContact CB-CB 3.96Å; F13-L28 HydrophobicContact CB-CD2 3.73Å; F13-L28 HydrophobicContact CB-CG 4.45Å; C15-L28 VanDerWaalsContact CA-CD1 3.45Å; C15-L28 HydrophobicContact CB-CD1 3.7Å; F22-L28 HydrophobicContact CB-CB 4.19Å; F22-L28 HydrophobicContact CD2-CB 3.93Å; F22-L28 HydrophobicContact CD2-CD1 3.76Å; F22-L28 HydrophobicContact CD2-CG 4.45Å; F22-L28 HydrophobicContact CE2-CD1 3.94Å; F22-L28 HydrophobicContact CG-CB 4.15Å; Q24-L28 PolarHBondContact O-N 2.8Å; A25-L28 WeakPolarHBondContact O-CB 3.46Å; A25-L28 PolarHBondContact O-N 2.83Å; L28-N30 VanDerWaalsContact C-N 3.31Å; L28-N30 PolarHBondContact O-N 2.97Å; L28-H31 CarbonylContact O-C 3.54Å; L28-H31 WeakPolarHBondContact O-CA 3.43Å; L28-H31 WeakPolarHBondContact O-CB 3.49Å; L28-H31 PolarHBondContact O-N 3.37Å; L28-E32 HydrophobicContact CD1-CG 3.89Å; L28-E32 HydrophobicContact CG-CG 4.31Å; L28-E32 WeakPolarHBondContact O-CG 3.47Å; L28-E32 PolarHBondContact O-N 2.89Å
29R87.3Confident85.9Confident169 Ų16975.4 Ų75.464%0.63838%0.38SS*.Hα-helixtrans-56.9-43.9179.7-171.4-178.3-64.1179.6-0.7112.2A25 A26 H31 E32 R33A25-R29 PolarHBondContact O-N 2.98Å; A26-R29 PolarHBondContact O-N 2.74Å; R29-H31 VanDerWaalsContact C-N 3.28Å; R29-H31 PolarHBondContact O-N 3.38Å; R29-E32 PolarHBondContact O-N 3.21Å; R29-R33 PolarHBondContact O-N 3.15Å
30N86.4Confident86.1Confident41 Ų4171.5 Ų71.522%0.21937%0.368CS..Hα-helixtrans-65.5-31.5175.7-76.6-24.5000113A26 L28 R33A26-N30 WeakPolarHBondContact O-CB 3.42Å; A26-N30 VanDerWaalsContact O-CG 3.31Å; A26-N30 PolarHBondContact O-N 3.44Å; A26-N30 PolarHBondContact O-ND2 2.8Å; L28-N30 VanDerWaalsContact C-N 3.31Å; L28-N30 PolarHBondContact O-N 2.97Å; N30-R33 PolarHBondContact OD1-NH1 3.41Å
31H87.6Confident86.8Confident24 Ų2469.1 Ų69.111%0.11136%0.356CS..Hα-helixtrans-74.3-39.4175.5165.473.8000112.1C15 C18 F22 N27 L28 R29 R33 I34 H35C15-H31 VanDerWaalsContact SG-CD2 3.54Å; C15-H31 PolarHBondContact SG-NE2 3.24Å; C18-H31 PolarHBondContact SG-NE2 3Å; F22-H31 HydrophobicContact CE1-CB 3.83Å; F22-H31 HydrophobicContact CE2-CB 4.01Å; F22-H31 AromaticContact CE2-CD2 3.38Å; F22-H31 WeakPolarHBondContact CE2-CD2 3.2Å; F22-H31 AromaticContact CE2-CG 3.71Å; F22-H31 AromaticContact CE2-NE2 3.99Å; F22-H31 HydrophobicContact CZ-CB 3.4Å; F22-H31 VanDerWaalsContact CZ-CB 3.4Å; F22-H31 AromaticContact CZ-CD2 3.36Å; F22-H31 WeakPolarHBondContact CZ-CD2 3.45Å; F22-H31 AromaticContact CZ-CG 3.18Å; F22-H31 AromaticContact CZ-ND1 3.71Å; F22-H31 AromaticContact CZ-NE2 3.92Å; N27-H31 WeakPolarHBondContact O-CB 3.38Å; N27-H31 PolarHBondContact O-N 3.24Å; L28-H31 CarbonylContact O-C 3.54Å; L28-H31 WeakPolarHBondContact O-CA 3.43Å; L28-H31 WeakPolarHBondContact O-CB 3.49Å; L28-H31 PolarHBondContact O-N 3.37Å; R29-H31 VanDerWaalsContact C-N 3.28Å; R29-H31 PolarHBondContact O-N 3.38Å; H31-R33 PolarHBondContact O-N 3.48Å; H31-I34 WeakPolarHBondContact O-CB 3.29Å; H31-I34 WeakPolarHBondContact O-CG1 3.08Å; H31-I34 PolarHBondContact O-N 3.21Å; H31-H35 AromaticContact CE1-NE2 3.79Å; H31-H35 AromaticContact NE2-NE2 3.51Å
32E85.3Confident87.2Confident55 Ų5574 Ų7426%0.25737%0.374SS..Hα-helixtrans-59.3-30.8177.4-72.9173.6149.500112.5L28 R29 I34 H35 T36L28-E32 HydrophobicContact CD1-CG 3.89Å; L28-E32 HydrophobicContact CG-CG 4.31Å; L28-E32 WeakPolarHBondContact O-CG 3.47Å; L28-E32 PolarHBondContact O-N 2.89Å; R29-E32 PolarHBondContact O-N 3.21Å; E32-I34 PolarHBondContact O-N 3.35Å; E32-H35 WeakPolarHBondContact O-CB 2.75Å; E32-H35 PolarHBondContact O-N 2.8Å; E32-T36 PolarHBondContact O-N 2.67Å; E32-T36 VanDerWaalsContact O-N 3.15Å
33R87Confident87.4Confident43 Ų4372.7 Ų72.716%0.16237%0.368CS..Hα-helixtrans-55.2-23.8171.1-70.1-175.2175.3157.35.9114.2R29 N30 H31 H35 T36 N37 D38 T51R29-R33 PolarHBondContact O-N 3.15Å; N30-R33 PolarHBondContact OD1-NH1 3.41Å; H31-R33 PolarHBondContact O-N 3.48Å; R33-H35 VanDerWaalsContact C-N 3.33Å; R33-T36 WeakPolarHBondContact CA-OG1 3.1Å; R33-N37 WeakPolarHBondContact O-CA 3.17Å; R33-N37 PolarHBondContact O-N 2.85Å; R33-N37 VanDerWaalsContact O-N 3.09Å; R33-D38 HydrophobicContact CB-CB 4.38Å; R33-D38 WeakPolarHBondContact CB-O 3.38Å; R33-D38 HydrophobicContact CG-CB 4.14Å; R33-D38 IonicContact NE-OD2 2.97Å; R33-D38 PolarHBondContact NE-OD2 3.04Å; R33-D38 PolarHBondContact O-N 3.42Å; R33-T51 HydrophobicContact CB-CG2 4.1Å; R33-T51 PolarHBondContact NH1-O 3.21Å
34I83.2Confident87.7Confident103 Ų10376.1 Ų76.153%0.52839%0.389SS..Hα-helixtrans-70.8-33.3175.3-57.8170.8000110.6H31 E32H31-I34 WeakPolarHBondContact O-CB 3.29Å; H31-I34 WeakPolarHBondContact O-CG1 3.08Å; H31-I34 PolarHBondContact O-N 3.21Å; E32-I34 PolarHBondContact O-N 3.35Å
35H83.3Confident87.8Confident68 Ų6875.5 Ų75.532%0.31539%0.389SS..Hα-helixtrans-80.2-40.6179.2-67.1-70.8000112Y17 H31 E32 R33 N37Y17-H35 HydrophobicContact CD1-CB 4.08Å; Y17-H35 HydrophobicContact CD2-CB 3.69Å; Y17-H35 AromaticContact CD2-CD2 3.75Å; Y17-H35 AromaticContact CD2-CG 3.73Å; Y17-H35 HydrophobicContact CE1-CB 4.36Å; Y17-H35 HydrophobicContact CE2-CB 4Å; Y17-H35 HydrophobicContact CG-CB 3.73Å; Y17-H35 AromaticContact CG-CD2 3.86Å; Y17-H35 AromaticContact CG-CG 3.58Å; Y17-H35 AromaticContact CG-ND1 3.98Å; H31-H35 AromaticContact CE1-NE2 3.79Å; H31-H35 AromaticContact NE2-NE2 3.51Å; E32-H35 WeakPolarHBondContact O-CB 2.75Å; E32-H35 PolarHBondContact O-N 2.8Å; R33-H35 VanDerWaalsContact C-N 3.33Å; H35-N37 VanDerWaalsContact C-N 3.27Å; H35-N37 PolarHBondContact O-N 3.37Å
36T83.9Confident88Confident78 Ų7875.9 Ų75.948%0.47939%0.389SS..Hα-helixtrans-81.2-7.1179.360.30000113.4E32 R33 D38E32-T36 PolarHBondContact O-N 2.67Å; E32-T36 VanDerWaalsContact O-N 3.15Å; R33-T36 WeakPolarHBondContact CA-OG1 3.1Å; T36-D38 PolarHBondContact O-N 3.28Å; T36-D38 VanDerWaalsContact O-N 3.16Å; T36-D38 VanDerWaalsContact OG1-CB 3.32Å; T36-D38 WeakPolarHBondContact OG1-CB 3.45Å; T36-D38 PolarHBondContact OG1-N 3.27Å
37N82.7Confident88.1Confident115 Ų11574.9 Ų74.962%0.61538%0.384SS*.THydrogen-bonded Turntrans54.721.8-168.6-65.6-65.6000113.9R33 H35 R39R33-N37 WeakPolarHBondContact O-CA 3.17Å; R33-N37 PolarHBondContact O-N 2.85Å; R33-N37 VanDerWaalsContact O-N 3.09Å; H35-N37 VanDerWaalsContact C-N 3.27Å; H35-N37 PolarHBondContact O-N 3.37Å; N37-R39 PolarHBondContact O-N 3.34Å
38D87.8Confident88.2Confident69 Ų6977.6 Ų77.637%0.36939%0.392SS..  trans-68.6114.9176.1175.430000110.5R33 T36 P40R33-D38 HydrophobicContact CB-CB 4.38Å; R33-D38 WeakPolarHBondContact CB-O 3.38Å; R33-D38 HydrophobicContact CG-CB 4.14Å; R33-D38 IonicContact NE-OD2 2.97Å; R33-D38 PolarHBondContact NE-OD2 3.04Å; R33-D38 PolarHBondContact O-N 3.42Å; T36-D38 PolarHBondContact O-N 3.28Å; T36-D38 VanDerWaalsContact O-N 3.16Å; T36-D38 VanDerWaalsContact OG1-CB 3.32Å; T36-D38 WeakPolarHBondContact OG1-CB 3.45Å; T36-D38 PolarHBondContact OG1-N 3.27Å; D38-P40 WeakPolarHBondContact OD1-CD 3.39Å
39R88.2Confident88.4Confident127 Ų12779.1 Ų79.148%0.47940%0.403SS..  trans-128.774.7-178.1-63.4179.9-177.7-1695.8109.9N37 Y41 T49 F50 T51N37-R39 PolarHBondContact O-N 3.34Å; R39-Y41 PolarHBondContact O-N 3.47Å; R39-Y41 VanDerWaalsContact O-N 3.14Å; R39-T49 WeakPolarHBondContact CD-OG1 3.21Å; R39-F50 CarbonylContact C-O 3.59Å; R39-F50 WeakPolarHBondContact CA-O 3.28Å; R39-T51 HydrophobicContact CG-CG2 4Å
40P89.5Confident88.5Confident66 Ų6673.1 Ų73.143%0.42938%0.381SS..  trans-71.5-11.5-16927.7-33.9000113.6D38D38-P40 WeakPolarHBondContact OD1-CD 3.39Å
41Y93.3Very high88.6Confident71 Ų7172.5 Ų72.528%0.27838%0.379SS..EExtended strand (participates in β ladder)trans-105.7108.2-176-54.8-72.7000110.8R39 T49 F50 I53R39-Y41 PolarHBondContact O-N 3.47Å; R39-Y41 VanDerWaalsContact O-N 3.14Å; Y41-T49 CarbonylContact O-C 3.42Å; Y41-T49 VanDerWaalsContact O-CA 3.31Å; Y41-T49 WeakPolarHBondContact O-CA 3.16Å; Y41-F50 PolarHBondContact N-O 3.23Å; Y41-F50 PolarHBondContact O-N 3.12Å; Y41-I53 HydrophobicContact CD1-CB 3.92Å; Y41-I53 HydrophobicContact CD1-CG1 4.22Å; Y41-I53 HydrophobicContact CE1-CB 3.77Å; Y41-I53 HydrophobicContact CE1-CD1 4.32Å; Y41-I53 HydrophobicContact CE1-CG1 4.29Å; Y41-I53 HydrophobicContact CE2-CB 4.37Å; Y41-I53 HydrophobicContact CG-CB 4.3Å
42Q93.7Very high88.7Confident122 Ų12274.3 Ų74.357%0.5739%0.387SS*.EExtended strand (participates in β ladder)trans-103.3139.4179.3-170.3175.41000111.7G47 K48 T49Q42-G47 PolarHBondContact NE2-O 3Å; Q42-K48 CarbonylContact C-O 3.41Å; Q42-T49 HydrophobicContact CB-CG2 4.05Å; Q42-T49 HydrophobicContact CG-CG2 3.91Å
43C92.3Very high88.9Confident1 Ų175.9 Ų75.91%0.00740%0.397CS..  trans-78.4122.2167.7179.30000109.5D45 C46 G47 K48 F50 L56C43-D45 VanDerWaalsContact C-N 3.28Å; C43-D45 PolarHBondContact O-N 3.14Å; C43-C46 VanDerWaalsContact SG-SG 3.66Å; C43-G47 WeakPolarHBondContact O-CA 3.38Å; C43-G47 PolarHBondContact O-N 3.29Å; C43-K48 WeakPolarHBondContact CB-O 3.34Å; C43-K48 PolarHBondContact N-O 3.31Å; C43-F50 HydrophobicContact CB-CE2 4.33Å; C43-L56 HydrophobicContact CB-CD1 3.66Å
44V92.3Very high89Confident143 Ų14377.2 Ų77.287%0.86741%0.41SS*.THydrogen-bonded Turntrans-66.2-34.4178.3-177.90000111.2
45D89.5Confident89.3Confident99 Ų9975.4 Ų75.453%0.52940%0.401SS..THydrogen-bonded Turntrans-74.1-30.5-173.9-50.4-49.7000113.5C43 H63C43-D45 VanDerWaalsContact C-N 3.28Å; C43-D45 PolarHBondContact O-N 3.14Å; D45-H63 IonicContact OD2-CD2 2.75Å
46C91.3Very high89.7Confident53 Ų5373.1 Ų73.136%0.35839%0.391SS..THydrogen-bonded Turntrans-137.26.4-176.572.90000115.4C43 K48 H59 H63C43-C46 VanDerWaalsContact SG-SG 3.66Å; C46-K48 PolarHBondContact O-N 2.8Å; C46-H59 PolarHBondContact SG-NE2 3.43Å; C46-H63 PolarHBondContact SG-NE2 2.92Å; C46-H63 VanDerWaalsContact SG-NE2 3.37Å
47G89.8Confident90.1Very high36 Ų3672.8 Ų72.837%0.37139%0.386SS..  trans69.6-1.4178.200000115.8Q42 C43Q42-G47 PolarHBondContact NE2-O 3Å; C43-G47 WeakPolarHBondContact O-CA 3.38Å; C43-G47 PolarHBondContact O-N 3.29Å
48K90.4Very high90.4Very high126 Ų12669.4 Ų69.455%0.54837%0.368SS..  trans-66.2136.2-179.6-74.7178.7-178.2170.50111.7Q42 C43 C46 F50Q42-K48 CarbonylContact C-O 3.41Å; C43-K48 WeakPolarHBondContact CB-O 3.34Å; C43-K48 PolarHBondContact N-O 3.31Å; C46-K48 PolarHBondContact O-N 2.8Å; K48-F50 HydrophobicContact CB-CE2 3.95Å; K48-F50 HydrophobicContact CB-CZ 4.05Å; K48-F50 WeakPolarHBondContact O-CE2 3.36Å
49T90.8Very high90.6Very high53 Ų5367 Ų6733%0.32536%0.355SS..EExtended strand (participates in β ladder)trans-107.7146.5-177.660.70000112.9R39 Y41 Q42R39-T49 WeakPolarHBondContact CD-OG1 3.21Å; Y41-T49 CarbonylContact O-C 3.42Å; Y41-T49 VanDerWaalsContact O-CA 3.31Å; Y41-T49 WeakPolarHBondContact O-CA 3.16Å; Q42-T49 HydrophobicContact CB-CG2 4.05Å; Q42-T49 HydrophobicContact CG-CG2 3.91Å
50F90Very high90.7Very high42 Ų4266.6 Ų66.618%0.18435%0.353CS..EExtended strand (participates in β ladder)trans-133.3149.3-174.5-58-88.4000110.9R39 Y41 C43 K48 Q52 N55 L56 H59R39-F50 CarbonylContact C-O 3.59Å; R39-F50 WeakPolarHBondContact CA-O 3.28Å; Y41-F50 PolarHBondContact N-O 3.23Å; Y41-F50 PolarHBondContact O-N 3.12Å; C43-F50 HydrophobicContact CB-CE2 4.33Å; K48-F50 HydrophobicContact CB-CE2 3.95Å; K48-F50 HydrophobicContact CB-CZ 4.05Å; K48-F50 WeakPolarHBondContact O-CE2 3.36Å; F50-Q52 VanDerWaalsContact C-N 3.34Å; F50-N55 HydrophobicContact CB-CB 4.27Å; F50-N55 HydrophobicContact CD1-CB 3.96Å; F50-N55 HydrophobicContact CG-CB 4.38Å; F50-L56 HydrophobicContact CB-CB 4.37Å; F50-L56 HydrophobicContact CD2-CB 3.89Å; F50-L56 HydrophobicContact CD2-CD1 3.79Å; F50-L56 HydrophobicContact CD2-CG 4.44Å; F50-L56 HydrophobicContact CE2-CD1 3.91Å; F50-L56 HydrophobicContact CG-CB 4.26Å; F50-H59 HydrophobicContact CE1-CB 3.85Å; F50-H59 HydrophobicContact CE2-CB 3.95Å; F50-H59 AromaticContact CE2-CD2 3.44Å; F50-H59 VanDerWaalsContact CE2-CD2 3.44Å; F50-H59 WeakPolarHBondContact CE2-CD2 3.47Å; F50-H59 AromaticContact CE2-CG 3.72Å; F50-H59 HydrophobicContact CZ-CB 3.4Å; F50-H59 VanDerWaalsContact CZ-CB 3.4Å; F50-H59 AromaticContact CZ-CD2 3.36Å; F50-H59 WeakPolarHBondContact CZ-CD2 3.41Å; F50-H59 AromaticContact CZ-CG 3.17Å; F50-H59 AromaticContact CZ-ND1 3.71Å; F50-H59 AromaticContact CZ-NE2 3.93Å
51T88.6Confident90.8Very high28 Ų2866 Ų6617%0.17234%0.342CS..SBendtrans-79-17.6177.156.20000113.2R33 R39R33-T51 HydrophobicContact CB-CG2 4.1Å; R33-T51 PolarHBondContact NH1-O 3.21Å; R39-T51 HydrophobicContact CG-CG2 4Å
52Q89.1Confident90.5Very high63 Ų6368.7 Ų68.729%0.29436%0.361SS..SBendtrans-138142.6-177.4-61.9-178.412.400111.3F50 T54 N55 L56F50-Q52 VanDerWaalsContact C-N 3.34Å; Q52-T54 VanDerWaalsContact C-N 3.32Å; Q52-T54 PolarHBondContact O-N 3.47Å; Q52-N55 WeakPolarHBondContact O-CB 3.27Å; Q52-N55 PolarHBondContact O-N 3.37Å; Q52-L56 PolarHBondContact O-N 2.73Å
53I90.2Very high90.3Very high88 Ų8867 Ų6745%0.45135%0.353SS..Hα-helixtrans-64.7-34.1179.6-166.7167.3000113Y41 N55 L56 N57Y41-I53 HydrophobicContact CD1-CB 3.92Å; Y41-I53 HydrophobicContact CD1-CG1 4.22Å; Y41-I53 HydrophobicContact CE1-CB 3.77Å; Y41-I53 HydrophobicContact CE1-CD1 4.32Å; Y41-I53 HydrophobicContact CE1-CG1 4.29Å; Y41-I53 HydrophobicContact CE2-CB 4.37Å; Y41-I53 HydrophobicContact CG-CB 4.3Å; I53-N55 VanDerWaalsContact C-N 3.28Å; I53-N55 PolarHBondContact O-N 3.03Å; I53-L56 WeakPolarHBondContact O-CB 3.49Å; I53-L56 PolarHBondContact O-N 3.34Å; I53-N57 PolarHBondContact O-N 2.8Å
54T89Confident90.1Very high71 Ų7171.2 Ų71.244%0.43638%0.378SS..Hα-helixtrans-61-38.5175.749.30000111.5Q52 N57 N58Q52-T54 VanDerWaalsContact C-N 3.32Å; Q52-T54 PolarHBondContact O-N 3.47Å; T54-N57 PolarHBondContact O-N 3.01Å; T54-N58 WeakPolarHBondContact O-CB 3.44Å; T54-N58 VanDerWaalsContact O-CG 3.25Å; T54-N58 PolarHBondContact O-N 3.09Å; T54-N58 PolarHBondContact O-ND2 3.03Å
55N89.9Confident89.8Confident65 Ų6566.8 Ų66.835%0.34836%0.362SS..Hα-helixtrans-69.6-40.1176.1-67.6-16.2000111.5F50 Q52 I53 N58 H59F50-N55 HydrophobicContact CB-CB 4.27Å; F50-N55 HydrophobicContact CD1-CB 3.96Å; F50-N55 HydrophobicContact CG-CB 4.38Å; Q52-N55 WeakPolarHBondContact O-CB 3.27Å; Q52-N55 PolarHBondContact O-N 3.37Å; I53-N55 VanDerWaalsContact C-N 3.28Å; I53-N55 PolarHBondContact O-N 3.03Å; N55-N58 PolarHBondContact O-N 2.93Å; N55-H59 VanDerWaalsContact O-CB 3.27Å; N55-H59 WeakPolarHBondContact O-CB 3.3Å; N55-H59 PolarHBondContact O-N 3.27Å
56L92.4Very high89.9Confident19 Ų1966.9 Ų66.910%0.09936%0.36CS..Hα-helixtrans-60.1-48.3172.3171.961.2000111C43 F50 Q52 I53 N58 H59 R60C43-L56 HydrophobicContact CB-CD1 3.66Å; F50-L56 HydrophobicContact CB-CB 4.37Å; F50-L56 HydrophobicContact CD2-CB 3.89Å; F50-L56 HydrophobicContact CD2-CD1 3.79Å; F50-L56 HydrophobicContact CD2-CG 4.44Å; F50-L56 HydrophobicContact CE2-CD1 3.91Å; F50-L56 HydrophobicContact CG-CB 4.26Å; Q52-L56 PolarHBondContact O-N 2.73Å; I53-L56 WeakPolarHBondContact O-CB 3.49Å; I53-L56 PolarHBondContact O-N 3.34Å; L56-N58 PolarHBondContact O-N 3.12Å; L56-H59 CarbonylContact O-C 3.51Å; L56-H59 WeakPolarHBondContact O-CA 3.5Å; L56-H59 WeakPolarHBondContact O-CB 3.45Å; L56-H59 PolarHBondContact O-N 3.01Å; L56-H59 VanDerWaalsContact O-N 3.1Å; L56-R60 HydrophobicContact CD1-CG 4.14Å; L56-R60 HydrophobicContact CG-CG 4.49Å; L56-R60 WeakPolarHBondContact O-CG 3.44Å; L56-R60 PolarHBondContact O-N 3.2Å
57N91.2Very high89.8Confident71 Ų7171.6 Ų71.638%0.3837%0.37SS..Hα-helixtrans-61.4-44.1178.9-74.1-21.2000112I53 T54 H59 R60 R61I53-N57 PolarHBondContact O-N 2.8Å; T54-N57 PolarHBondContact O-N 3.01Å; N57-H59 VanDerWaalsContact C-N 3.27Å; N57-H59 PolarHBondContact O-N 2.86Å; N57-R60 PolarHBondContact O-N 3.15Å; N57-R61 PolarHBondContact O-N 2.78Å
58N89.5Confident89.7Confident44 Ų4472.6 Ų72.624%0.23537%0.369CS..Hα-helixtrans-62-35.7174.2-76.1-27.2000112.5T54 N55 L56T54-N58 WeakPolarHBondContact O-CB 3.44Å; T54-N58 VanDerWaalsContact O-CG 3.25Å; T54-N58 PolarHBondContact O-N 3.09Å; T54-N58 PolarHBondContact O-ND2 3.03Å; N55-N58 PolarHBondContact O-N 2.93Å; L56-N58 PolarHBondContact O-N 3.12Å
59H92.1Very high89.8Confident19 Ų1969.4 Ų69.49%0.08836%0.356CS..Hα-helixtrans-69.6-41175.5170.569000112.1C46 F50 N55 L56 N57 R61 L62 H63C46-H59 PolarHBondContact SG-NE2 3.43Å; F50-H59 HydrophobicContact CE1-CB 3.85Å; F50-H59 HydrophobicContact CE2-CB 3.95Å; F50-H59 AromaticContact CE2-CD2 3.44Å; F50-H59 VanDerWaalsContact CE2-CD2 3.44Å; F50-H59 WeakPolarHBondContact CE2-CD2 3.47Å; F50-H59 AromaticContact CE2-CG 3.72Å; F50-H59 HydrophobicContact CZ-CB 3.4Å; F50-H59 VanDerWaalsContact CZ-CB 3.4Å; F50-H59 AromaticContact CZ-CD2 3.36Å; F50-H59 WeakPolarHBondContact CZ-CD2 3.41Å; F50-H59 AromaticContact CZ-CG 3.17Å; F50-H59 AromaticContact CZ-ND1 3.71Å; F50-H59 AromaticContact CZ-NE2 3.93Å; N55-H59 VanDerWaalsContact O-CB 3.27Å; N55-H59 WeakPolarHBondContact O-CB 3.3Å; N55-H59 PolarHBondContact O-N 3.27Å; L56-H59 CarbonylContact O-C 3.51Å; L56-H59 WeakPolarHBondContact O-CA 3.5Å; L56-H59 WeakPolarHBondContact O-CB 3.45Å; L56-H59 PolarHBondContact O-N 3.01Å; L56-H59 VanDerWaalsContact O-N 3.1Å; N57-H59 VanDerWaalsContact C-N 3.27Å; N57-H59 PolarHBondContact O-N 2.86Å; H59-R61 PolarHBondContact O-N 3.25Å; H59-L62 WeakPolarHBondContact O-CB 3.48Å; H59-L62 WeakPolarHBondContact O-CG 3.46Å; H59-L62 PolarHBondContact O-N 3.29Å; H59-H63 AromaticContact CE1-NE2 3.83Å; H59-H63 AromaticContact NE2-NE2 3.41Å; H59-H63 PolarHBondContact NE2-NE2 3.34Å
60R90.6Very high89.7Confident119 Ų11970.4 Ų70.445%0.44936%0.362SS..Hα-helixtrans-57.9-31.3176.9-74-179.268.2-136.3-2.1112.8L56 N57 L62 H63 T64L56-R60 HydrophobicContact CD1-CG 4.14Å; L56-R60 HydrophobicContact CG-CG 4.49Å; L56-R60 WeakPolarHBondContact O-CG 3.44Å; L56-R60 PolarHBondContact O-N 3.2Å; N57-R60 PolarHBondContact O-N 3.15Å; R60-L62 PolarHBondContact O-N 3.16Å; R60-L62 VanDerWaalsContact O-N 3.14Å; R60-H63 WeakPolarHBondContact O-CB 3.38Å; R60-H63 PolarHBondContact O-N 2.77Å; R60-T64 PolarHBondContact O-N 3.02Å; R60-T64 VanDerWaalsContact O-N 3.13Å
61R90.9Very high89.7Confident53 Ų5368.8 Ų68.820%0.236%0.355CS..Hα-helixtrans-61.1-19.9173.2-65.5179.4178.1164.41.3113.9N57 H59 H63 G65 E66 A81N57-R61 PolarHBondContact O-N 2.78Å; H59-R61 PolarHBondContact O-N 3.25Å; R61-H63 VanDerWaalsContact C-N 3.34Å; R61-G65 WeakPolarHBondContact O-CA 3.42Å; R61-G65 PolarHBondContact O-N 3.14Å; R61-E66 HydrophobicContact CG-CB 4.32Å; R61-E66 IonicContact NE-OE2 3.39Å; R61-E66 PolarHBondContact O-N 3Å; R61-A81 HydrophobicContact CB-CB 4.2Å; R61-A81 WeakPolarHBondContact CD-O 3.45Å; R61-A81 PolarHBondContact NH1-O 3.03Å
62L87.7Confident89.5Confident127 Ų12774.1 Ų74.167%0.66538%0.383SS*.Hα-helixtrans-73-28.4172.2-55.7177.1000112.2H59 R60H59-L62 WeakPolarHBondContact O-CB 3.48Å; H59-L62 WeakPolarHBondContact O-CG 3.46Å; H59-L62 PolarHBondContact O-N 3.29Å; R60-L62 PolarHBondContact O-N 3.16Å; R60-L62 VanDerWaalsContact O-N 3.14Å
63H87.9Confident89Confident87 Ų8774.6 Ų74.640%0.40339%0.385SS..Hα-helixtrans-81.4-44.3175.9-66.9-62.7000111.5D45 C46 H59 R60 R61D45-H63 IonicContact OD2-CD2 2.75Å; C46-H63 PolarHBondContact SG-NE2 2.92Å; C46-H63 VanDerWaalsContact SG-NE2 3.37Å; H59-H63 AromaticContact CE1-NE2 3.83Å; H59-H63 AromaticContact NE2-NE2 3.41Å; H59-H63 PolarHBondContact NE2-NE2 3.34Å; R60-H63 WeakPolarHBondContact O-CB 3.38Å; R60-H63 PolarHBondContact O-N 2.77Å; R61-H63 VanDerWaalsContact C-N 3.34Å
64T88.3Confident88.2Confident89 Ų8976.2 Ų76.255%0.54640%0.401SS..Hα-helixtrans-80.7-17.1-17862.30000113.5R60 E66R60-T64 PolarHBondContact O-N 3.02Å; R60-T64 VanDerWaalsContact O-N 3.13Å; T64-E66 PolarHBondContact O-N 3.18Å; T64-E66 WeakPolarHBondContact OG1-CB 3.41Å; T64-E66 PolarHBondContact OG1-N 3.32Å
65G87.4Confident87.6Confident51 Ų5182.3 Ų82.353%0.52643%0.425SS..  trans70.27.8-173.200000114R61 R67R61-G65 WeakPolarHBondContact O-CA 3.42Å; R61-G65 PolarHBondContact O-N 3.14Å; G65-R67 PolarHBondContact O-N 3.46Å
66E90.5Very high87.4Confident101 Ų10180.6 Ų80.647%0.47242%0.417SS..  trans-62.3128.2-177.6-166.8-164169.600111.1R61 T64 P68R61-E66 HydrophobicContact CG-CB 4.32Å; R61-E66 IonicContact NE-OE2 3.39Å; R61-E66 PolarHBondContact O-N 3Å; T64-E66 PolarHBondContact O-N 3.18Å; T64-E66 WeakPolarHBondContact OG1-CB 3.41Å; T64-E66 PolarHBondContact OG1-N 3.32Å; E66-P68 HydrophobicContact CG-CG 3.87Å; E66-P68 WeakPolarHBondContact OE1-CG 3.26Å
67R88.9Confident86.8Confident152 Ų15282.4 Ų82.457%0.57444%0.441SS*.  trans-127.575.1179.2-69.9176.7171.4-167.34110.7G65 F69 S79 F80G65-R67 PolarHBondContact O-N 3.46Å; R67-F69 PolarHBondContact O-N 3.33Å; R67-S79 WeakPolarHBondContact CB-OG 3.42Å; R67-S79 WeakPolarHBondContact CD-O 3.42Å; R67-S79 WeakPolarHBondContact CD-OG 3.42Å; R67-F80 CarbonylContact C-O 3.53Å; R67-F80 WeakPolarHBondContact CA-O 3.45Å
68P89.3Confident86.6Confident56 Ų5686.5 Ų86.536%0.36445%0.451SS..  trans-66.9-21.3-171.9-20.834000113.9E66 V70E66-P68 HydrophobicContact CG-CG 3.87Å; E66-P68 WeakPolarHBondContact OE1-CG 3.26Å; P68-V70 PolarHBondContact O-N 3.43Å
69F91.4Very high86.6Confident60 Ų6086.3 Ų86.326%0.26345%0.453SS..EExtended strand (participates in β ladder)trans-98.597.6-171.5-55.1-69.5000109.7R67 S79 F80 A81 V83 L86R67-F69 PolarHBondContact O-N 3.33Å; F69-S79 CarbonylContact O-C 3.58Å; F69-S79 WeakPolarHBondContact O-CA 3.37Å; F69-F80 HydrophobicContact CB-CB 4.41Å; F69-F80 WeakPolarHBondContact CB-O 3.17Å; F69-F80 WeakPolarHBondContact CD2-O 3.36Å; F69-F80 PolarHBondContact N-O 3.36Å; F69-F80 VanDerWaalsContact N-O 3.15Å; F69-F80 PolarHBondContact O-N 2.98Å; F69-A81 WeakPolarHBondContact CE2-O 3.4Å; F69-V83 HydrophobicContact CD1-CB 4.23Å; F69-V83 HydrophobicContact CE1-CB 4.04Å; F69-V83 HydrophobicContact CE2-CB 4.32Å; F69-V83 HydrophobicContact CG-CB 4.47Å; F69-V83 HydrophobicContact CZ-CB 4.08Å; F69-L86 HydrophobicContact CB-CB 4.08Å; F69-L86 HydrophobicContact CB-CD2 3.82Å
70V89.2Confident86.4Confident74 Ų7487.2 Ų87.245%0.44846%0.457SS..EExtended strand (participates in β ladder)trans-90.1143.6179.5-170.70000110P68 N72P68-V70 PolarHBondContact O-N 3.43Å; V70-N72 PolarHBondContact O-N 3.49Å; V70-N72 PolarHBondContact O-OD1 3.33Å
71C89Confident86.4Confident7 Ų782.4 Ų82.45%0.04744%0.443CS..  trans-68.6126.4170.5-175.10000109.8E73 C76 R78 L86 H89 H93C71-E73 PolarHBondContact O-N 2.99Å; C71-C76 HydrophobicContact CB-CB 4.34Å; C71-R78 VanDerWaalsContact CB-O 3.27Å; C71-R78 WeakPolarHBondContact CB-O 3.34Å; C71-R78 PolarHBondContact N-O 2.92Å; C71-L86 HydrophobicContact CB-CD1 4.19Å; C71-H89 PolarHBondContact SG-NE2 3Å; C71-H93 PolarHBondContact SG-CD2 3.43Å; C71-H93 PolarHBondContact SG-NE2 3.36Å
72N85.2Confident86.3Confident141 Ų14183 Ų8375%0.75445%0.447SS*.SBendtrans-75-6.2-179.6-63.5-9.6000113.4V70 P74V70-N72 PolarHBondContact O-N 3.49Å; V70-N72 PolarHBondContact O-OD1 3.33Å; N72-P74 WeakPolarHBondContact O-CD 3.46Å
73E78.7Confident86.2Confident73 Ų7380.2 Ų80.234%0.34144%0.436SS..  trans-76.7119.1176.2-68.9-61145.500110.2C71 E75 C76 M90 H93C71-E73 PolarHBondContact O-N 2.99Å; E73-E75 VanDerWaalsContact C-N 3.28Å; E73-E75 PolarHBondContact O-N 3.46Å; E73-C76 HydrophobicContact CB-CB 4.01Å; E73-C76 PolarHBondContact O-N 3.45Å; E73-M90 HydrophobicContact CG-SD 4.23Å; E73-H93 HydrophobicContact CG-CB 3.98Å
74P74.1Confident86.1Confident121 Ų12179.5 Ų79.579%0.78644%0.438SS*.THydrogen-bonded Turntrans-58.1-36.7-170.4-23.931.6000113.9N72 C76N72-P74 WeakPolarHBondContact O-CD 3.46Å; P74-C76 VanDerWaalsContact C-N 3.3Å; P74-C76 PolarHBondContact O-N 3.09Å
75E75.4Confident86.1Confident199 Ų19978.7 Ų78.793%0.9343%0.43SS*.THydrogen-bonded Turntrans-79.9-11.9-178.6-60.6-176.6174.500113E73E73-E75 VanDerWaalsContact C-N 3.28Å; E73-E75 PolarHBondContact O-N 3.46Å
76C85.4Confident86Confident29 Ų2977.3 Ų77.320%0.19641%0.41CS..THydrogen-bonded Turntrans-91.9-47.7-174-170.10000113.4C71 E73 P74 R78 H89 H93C71-C76 HydrophobicContact CB-CB 4.34Å; E73-C76 HydrophobicContact CB-CB 4.01Å; E73-C76 PolarHBondContact O-N 3.45Å; P74-C76 VanDerWaalsContact C-N 3.3Å; P74-C76 PolarHBondContact O-N 3.09Å; C76-R78 PolarHBondContact O-N 3.41Å; C76-R78 VanDerWaalsContact SG-CG 3.57Å; C76-H89 PolarHBondContact SG-CE1 3.38Å; C76-H89 PolarHBondContact SG-NE2 3.31Å; C76-H93 PolarHBondContact SG-CE1 3.47Å; C76-H93 PolarHBondContact SG-NE2 3.37Å
77G80.8Confident85.8Confident57 Ų5776.8 Ų76.859%0.58841%0.411SS*.  trans57.67.1179.600000116.2
78R86.4Confident85.4Confident158 Ų15872.6 Ų72.660%0.59640%0.4SS*.  trans-75.4136.1-175.1-73.4-177.9-176.8-173.41111.4C71 C76 F80C71-R78 VanDerWaalsContact CB-O 3.27Å; C71-R78 WeakPolarHBondContact CB-O 3.34Å; C71-R78 PolarHBondContact N-O 2.92Å; C76-R78 PolarHBondContact O-N 3.41Å; C76-R78 VanDerWaalsContact SG-CG 3.57Å; R78-F80 HydrophobicContact CB-CE2 3.78Å; R78-F80 HydrophobicContact CB-CZ 3.86Å
79S88.6Confident85.2Confident39 Ų3970.7 Ų70.727%0.27339%0.386SS..EExtended strand (participates in β ladder)trans-114.2149.2175.464.30000112.2R67 F69R67-S79 WeakPolarHBondContact CB-OG 3.42Å; R67-S79 WeakPolarHBondContact CD-O 3.42Å; R67-S79 WeakPolarHBondContact CD-OG 3.42Å; F69-S79 CarbonylContact O-C 3.58Å; F69-S79 WeakPolarHBondContact O-CA 3.37Å
80F89.7Confident84.6Confident38 Ų3869.5 Ų69.517%0.16738%0.382CS..EExtended strand (participates in β ladder)trans-132.1146.6-174.3-57.4-90.3000111.1R67 F69 R78 Q82 N85 L86 H89R67-F80 CarbonylContact C-O 3.53Å; R67-F80 WeakPolarHBondContact CA-O 3.45Å; F69-F80 HydrophobicContact CB-CB 4.41Å; F69-F80 WeakPolarHBondContact CB-O 3.17Å; F69-F80 WeakPolarHBondContact CD2-O 3.36Å; F69-F80 PolarHBondContact N-O 3.36Å; F69-F80 VanDerWaalsContact N-O 3.15Å; F69-F80 PolarHBondContact O-N 2.98Å; R78-F80 HydrophobicContact CB-CE2 3.78Å; R78-F80 HydrophobicContact CB-CZ 3.86Å; F80-Q82 VanDerWaalsContact C-N 3.31Å; F80-N85 HydrophobicContact CB-CB 4.22Å; F80-N85 HydrophobicContact CD1-CB 3.93Å; F80-N85 HydrophobicContact CG-CB 4.35Å; F80-L86 HydrophobicContact CB-CB 4.32Å; F80-L86 HydrophobicContact CD2-CB 3.96Å; F80-L86 HydrophobicContact CD2-CD1 3.84Å; F80-L86 HydrophobicContact CE2-CD1 4.04Å; F80-L86 HydrophobicContact CG-CB 4.28Å; F80-H89 HydrophobicContact CE1-CB 3.86Å; F80-H89 HydrophobicContact CE2-CB 3.9Å; F80-H89 AromaticContact CE2-CD2 3.18Å; F80-H89 WeakPolarHBondContact CE2-CD2 3.39Å; F80-H89 AromaticContact CE2-CG 3.64Å; F80-H89 AromaticContact CE2-NE2 3.9Å; F80-H89 HydrophobicContact CZ-CB 3.39Å; F80-H89 AromaticContact CZ-CD2 3.24Å; F80-H89 WeakPolarHBondContact CZ-CD2 3.02Å; F80-H89 AromaticContact CZ-CG 3.19Å; F80-H89 AromaticContact CZ-ND1 3.87Å; F80-H89 AromaticContact CZ-NE2 3.86Å
81A88.9Confident84Confident19 Ų1970.9 Ų70.916%0.15738%0.382CS..SBendtrans-76.2-18.7176.500000113.3R61 F69R61-A81 HydrophobicContact CB-CB 4.2Å; R61-A81 WeakPolarHBondContact CD-O 3.45Å; R61-A81 PolarHBondContact NH1-O 3.03Å; F69-A81 WeakPolarHBondContact CE2-O 3.4Å
82Q88.8Confident83.3Confident64 Ų6474 Ų7430%0.29940%0.404SS..SBendtrans-135.3141.2-177.3-63.1-176.8-0.700111.7F80 T84 N85 L86F80-Q82 VanDerWaalsContact C-N 3.31Å; Q82-T84 VanDerWaalsContact C-N 3.28Å; Q82-T84 PolarHBondContact O-N 3.14Å; Q82-T84 PolarHBondContact OE1-OG1 3.26Å; Q82-N85 HydrophobicContact CB-CB 4.48Å; Q82-N85 WeakPolarHBondContact O-CB 3.45Å; Q82-N85 PolarHBondContact O-N 3.38Å; Q82-N85 VanDerWaalsContact O-N 3.12Å; Q82-L86 PolarHBondContact O-N 3.14Å; Q82-L86 VanDerWaalsContact O-N 3.13Å
83V87.2Confident82.6Confident69 Ų6970.4 Ų70.442%0.41838%0.382SS..Hα-helixtrans-62.9-33.3178.267.30000112.6F69 N85 L86 N87F69-V83 HydrophobicContact CD1-CB 4.23Å; F69-V83 HydrophobicContact CE1-CB 4.04Å; F69-V83 HydrophobicContact CE2-CB 4.32Å; F69-V83 HydrophobicContact CG-CB 4.47Å; F69-V83 HydrophobicContact CZ-CB 4.08Å; V83-N85 VanDerWaalsContact C-N 3.28Å; V83-N85 PolarHBondContact O-N 3.3Å; V83-L86 PolarHBondContact O-N 3.19Å; V83-N87 WeakPolarHBondContact O-CB 3.36Å; V83-N87 VanDerWaalsContact O-CG 3.29Å; V83-N87 PolarHBondContact O-N 3.13Å
84T85.8Confident82Confident73 Ų7371.6 Ų71.645%0.44839%0.387SS..Hα-helixtrans-61.1-38.9174.846.10000111.6Q82 N88Q82-T84 VanDerWaalsContact C-N 3.28Å; Q82-T84 PolarHBondContact O-N 3.14Å; Q82-T84 PolarHBondContact OE1-OG1 3.26Å; T84-N88 WeakPolarHBondContact O-CB 3.33Å; T84-N88 VanDerWaalsContact O-CG 3.25Å; T84-N88 PolarHBondContact O-N 2.89Å; T84-N88 PolarHBondContact O-ND2 3.49Å
85N86.8Confident81.2Confident72 Ų7276.4 Ų76.439%0.38540%0.396SS..Hα-helixtrans-72-41.7177.6-65.7-8.9000111F80 Q82 V83 N88 H89F80-N85 HydrophobicContact CB-CB 4.22Å; F80-N85 HydrophobicContact CD1-CB 3.93Å; F80-N85 HydrophobicContact CG-CB 4.35Å; Q82-N85 HydrophobicContact CB-CB 4.48Å; Q82-N85 WeakPolarHBondContact O-CB 3.45Å; Q82-N85 PolarHBondContact O-N 3.38Å; Q82-N85 VanDerWaalsContact O-N 3.12Å; V83-N85 VanDerWaalsContact C-N 3.28Å; V83-N85 PolarHBondContact O-N 3.3Å; N85-N88 PolarHBondContact O-N 3.2Å; N85-H89 WeakPolarHBondContact O-CB 3.37Å; N85-H89 PolarHBondContact O-N 3.4Å
86L86.6Confident80.1Confident22 Ų2272 Ų7212%0.11538%0.382CS..Hα-helixtrans-58.7-47.7171.6172.662.2000111.1F69 C71 F80 Q82 V83 N88 H89 M90F69-L86 HydrophobicContact CB-CB 4.08Å; F69-L86 HydrophobicContact CB-CD2 3.82Å; C71-L86 HydrophobicContact CB-CD1 4.19Å; F80-L86 HydrophobicContact CB-CB 4.32Å; F80-L86 HydrophobicContact CD2-CB 3.96Å; F80-L86 HydrophobicContact CD2-CD1 3.84Å; F80-L86 HydrophobicContact CE2-CD1 4.04Å; F80-L86 HydrophobicContact CG-CB 4.28Å; Q82-L86 PolarHBondContact O-N 3.14Å; Q82-L86 VanDerWaalsContact O-N 3.13Å; V83-L86 PolarHBondContact O-N 3.19Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 3.43Å; L86-H89 CarbonylContact O-C 3.34Å; L86-H89 WeakPolarHBondContact O-CA 3.44Å; L86-H89 WeakPolarHBondContact O-CB 3.27Å; L86-H89 PolarHBondContact O-N 3.48Å; L86-H89 VanDerWaalsContact O-N 3.13Å; L86-M90 HydrophobicContact CD1-CE 4.11Å; L86-M90 WeakPolarHBondContact O-CB 3.37Å; L86-M90 PolarHBondContact O-N 2.7Å
87N84.8Confident78.5Confident89 Ų8979 Ų7948%0.47641%0.412SS..Hα-helixtrans-62.5-40179-75-17.2000112.1V83 H89 M90 K91V83-N87 WeakPolarHBondContact O-CB 3.36Å; V83-N87 VanDerWaalsContact O-CG 3.29Å; V83-N87 PolarHBondContact O-N 3.13Å; N87-H89 VanDerWaalsContact C-N 3.33Å; N87-M90 PolarHBondContact O-N 2.76Å; N87-K91 WeakPolarHBondContact O-CG 3.3Å; N87-K91 PolarHBondContact O-N 2.87Å
88N81.7Confident77.5Confident64 Ų6480.6 Ų80.634%0.34241%0.405SS..Hα-helixtrans-67.7-35.3174.9-75-24.6000112.2T84 N85 L86 K91T84-N88 WeakPolarHBondContact O-CB 3.33Å; T84-N88 VanDerWaalsContact O-CG 3.25Å; T84-N88 PolarHBondContact O-N 2.89Å; T84-N88 PolarHBondContact O-ND2 3.49Å; N85-N88 PolarHBondContact O-N 3.2Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 3.43Å; N88-K91 PolarHBondContact OD1-NZ 3.29Å
89H84.1Confident76.2Confident17 Ų1777.5 Ų77.58%0.07939%0.393CS..Hα-helixtrans-69-38.7172.2168.759.3000112.1C71 C76 F80 N85 L86 N87 K91 S92 H93C71-H89 PolarHBondContact SG-NE2 3Å; C76-H89 PolarHBondContact SG-CE1 3.38Å; C76-H89 PolarHBondContact SG-NE2 3.31Å; F80-H89 HydrophobicContact CE1-CB 3.86Å; F80-H89 HydrophobicContact CE2-CB 3.9Å; F80-H89 AromaticContact CE2-CD2 3.18Å; F80-H89 WeakPolarHBondContact CE2-CD2 3.39Å; F80-H89 AromaticContact CE2-CG 3.64Å; F80-H89 AromaticContact CE2-NE2 3.9Å; F80-H89 HydrophobicContact CZ-CB 3.39Å; F80-H89 AromaticContact CZ-CD2 3.24Å; F80-H89 WeakPolarHBondContact CZ-CD2 3.02Å; F80-H89 AromaticContact CZ-CG 3.19Å; F80-H89 AromaticContact CZ-ND1 3.87Å; F80-H89 AromaticContact CZ-NE2 3.86Å; N85-H89 WeakPolarHBondContact O-CB 3.37Å; N85-H89 PolarHBondContact O-N 3.4Å; L86-H89 CarbonylContact O-C 3.34Å; L86-H89 WeakPolarHBondContact O-CA 3.44Å; L86-H89 WeakPolarHBondContact O-CB 3.27Å; L86-H89 PolarHBondContact O-N 3.48Å; L86-H89 VanDerWaalsContact O-N 3.13Å; N87-H89 VanDerWaalsContact C-N 3.33Å; H89-K91 PolarHBondContact O-N 2.98Å; H89-S92 PolarHBondContact ND1-OG 2.65Å; H89-S92 WeakPolarHBondContact O-CB 3.47Å; H89-S92 PolarHBondContact O-N 3.21Å; H89-S92 PolarHBondContact O-OG 3.23Å; H89-H93 AromaticContact CD2-NE2 3.84Å; H89-H93 AromaticContact CE1-CD2 3.93Å; H89-H93 AromaticContact CE1-CE1 3.68Å; H89-H93 AromaticContact CE1-NE2 3.12Å; H89-H93 PolarHBondContact CE1-NE2 3.34Å; H89-H93 AromaticContact NE2-CD2 3.71Å; H89-H93 AromaticContact NE2-CE1 3.88Å; H89-H93 AromaticContact NE2-NE2 2.94Å; H89-H93 PolarHBondContact NE2-NE2 3.36Å
90M80.3Confident74.5Confident34 Ų3478.7 Ų78.717%0.16740%0.401CS..Hα-helixtrans-62.3-28.9179.7-16358.168.100112.2E73 L86 N87 S92 H93 H94E73-M90 HydrophobicContact CG-SD 4.23Å; L86-M90 HydrophobicContact CD1-CE 4.11Å; L86-M90 WeakPolarHBondContact O-CB 3.37Å; L86-M90 PolarHBondContact O-N 2.7Å; N87-M90 PolarHBondContact O-N 2.76Å; M90-S92 PolarHBondContact O-N 3.37Å; M90-H93 PolarHBondContact O-N 3.38Å; M90-H93 VanDerWaalsContact O-N 3.09Å; M90-H93 HydrophobicContact SD-CB 4.38Å; M90-H94 PolarHBondContact O-N 3.38Å
91K75.8Confident73.1Confident103 Ų10376.9 Ų76.945%0.44839%0.393SS..Hα-helixtrans-63.9-14.2170.6-64.6170.8-172.9169.70114N87 N88 H89N87-K91 WeakPolarHBondContact O-CG 3.3Å; N87-K91 PolarHBondContact O-N 2.87Å; N88-K91 PolarHBondContact OD1-NZ 3.29Å; H89-K91 PolarHBondContact O-N 2.98Å
92S74Confident71.5Confident73 Ų7382.3 Ų82.351%0.5142%0.42SS..Hα-helixtrans-84.5-22.8172.4720000113.3H89 M90H89-S92 PolarHBondContact ND1-OG 2.65Å; H89-S92 WeakPolarHBondContact O-CB 3.47Å; H89-S92 PolarHBondContact O-N 3.21Å; H89-S92 PolarHBondContact O-OG 3.23Å; M90-S92 PolarHBondContact O-N 3.37Å
93H71.8Confident70.1Confident66 Ų6683.7 Ų83.731%0.30643%0.432SS..Hα-helixtrans-84.3-44.3-179.3-67.6-49000112.1C71 E73 C76 H89 M90 K95C71-H93 PolarHBondContact SG-CD2 3.43Å; C71-H93 PolarHBondContact SG-NE2 3.36Å; E73-H93 HydrophobicContact CG-CB 3.98Å; C76-H93 PolarHBondContact SG-CE1 3.47Å; C76-H93 PolarHBondContact SG-NE2 3.37Å; H89-H93 AromaticContact CD2-NE2 3.84Å; H89-H93 AromaticContact CE1-CD2 3.93Å; H89-H93 AromaticContact CE1-CE1 3.68Å; H89-H93 AromaticContact CE1-NE2 3.12Å; H89-H93 PolarHBondContact CE1-NE2 3.34Å; H89-H93 AromaticContact NE2-CD2 3.71Å; H89-H93 AromaticContact NE2-CE1 3.88Å; H89-H93 AromaticContact NE2-NE2 2.94Å; H89-H93 PolarHBondContact NE2-NE2 3.36Å; M90-H93 PolarHBondContact O-N 3.38Å; M90-H93 VanDerWaalsContact O-N 3.09Å; M90-H93 HydrophobicContact SD-CB 4.38Å; H93-K95 PolarHBondContact O-N 3.04Å
94H65.5Low68.8Low97 Ų9782.8 Ų82.845%0.44943%0.428SS..SBendtrans-81.6121.7170.9-52.9-67.8000108.8M90 V96M90-H94 PolarHBondContact O-N 3.38Å; H94-V96 HydrophobicContact CB-CB 4.49Å; H94-V96 HydrophobicContact CB-CG2 3.7Å; H94-V96 PolarHBondContact O-N 3.05Å
95K57.1Low67.5Low223 Ų22385 Ų8597%0.9744%0.437SS*.  trans-64.459.8167.4-79.4-178.2177.91720110.7H93H93-K95 PolarHBondContact O-N 3.04Å
96V53.2Low66.2Low106 Ų10687.7 Ų87.764%0.64245%0.446SS*.  trans-99.8122.4-179.6175.10000108.8H94 Q98H94-V96 HydrophobicContact CB-CB 4.49Å; H94-V96 HydrophobicContact CB-CG2 3.7Å; H94-V96 PolarHBondContact O-N 3.05Å; V96-Q98 PolarHBondContact O-N 2.88Å
97Q51.5Low65.1Low175 Ų17593.1 Ų93.182%0.81847%0.468SS*.  trans24.178.9163.2-134.7175.74.100114.3Y99Q97-Y99 PolarHBondContact O-N 3.49Å
98Q59.8Low64.3Low92 Ų9290.9 Ų90.943%0.4345%0.454SS..  trans-52.4130.9166-67.7170.8-40.300108.2V96 C100 K107 F108V96-Q98 PolarHBondContact O-N 2.88Å; Q98-C100 PolarHBondContact O-N 3.46Å; Q98-C100 PolarHBondContact O-SG 3.07Å; Q98-C100 VanDerWaalsContact O-SG 3.37Å; Q98-K107 HydrophobicContact CB-CB 3.8Å; Q98-K107 HydrophobicContact CB-CG 3.9Å; Q98-K107 HydrophobicContact CG-CB 4.12Å; Q98-K107 HydrophobicContact CG-CG 4.41Å; Q98-F108 CarbonylContact C-O 3.33Å; Q98-F108 WeakPolarHBondContact CA-O 3.39Å
99Y59.5Low63.6Low93 Ų9391.9 Ų91.937%0.36546%0.463SS..EExtended strand (participates in β ladder)trans-66.6106.3170.9-64.1-73000106.7Q97 F108 V111Q97-Y99 PolarHBondContact O-N 3.49Å; Y99-F108 PolarHBondContact N-O 3.39Å; Y99-F108 WeakPolarHBondContact O-CD2 3.32Å; Y99-F108 PolarHBondContact O-N 3.33Å; Y99-V111 HydrophobicContact CD1-CG2 3.71Å; Y99-V111 HydrophobicContact CD2-CG2 4.03Å; Y99-V111 HydrophobicContact CE1-CG2 3.25Å; Y99-V111 HydrophobicContact CE2-CG2 3.59Å; Y99-V111 HydrophobicContact CG-CG2 4.07Å; Y99-V111 WeakPolarHBondContact OH-CG2 3.43Å
100C52.4Low62.8Low64 Ų6494.7 Ų94.743%0.43248%0.476SS..EExtended strand (participates in β ladder)trans-90.2133.4-177.2-68.10000109.6Q98 N102 K106Q98-C100 PolarHBondContact O-N 3.46Å; Q98-C100 PolarHBondContact O-SG 3.07Å; Q98-C100 VanDerWaalsContact O-SG 3.37Å; C100-N102 PolarHBondContact O-N 2.85Å; C100-K106 CarbonylContact C-O 3.51Å; C100-K106 WeakPolarHBondContact CA-O 3.49Å
101C60.6Low62Low0 Ų096.1 Ų96.10%049%0.486CS..  trans-66.2121.7164.1179.40000109.6V103 C104 N105 K106 F108 L114 H117 L118 H121C101-V103 PolarHBondContact O-N 3.16Å; C101-V103 PolarHBondContact SG-N 3.35Å; C101-C104 PolarHBondContact SG-N 2.81Å; C101-C104 VanDerWaalsContact SG-N 3.37Å; C101-N105 WeakPolarHBondContact O-CA 3.43Å; C101-N105 PolarHBondContact O-N 2.79Å; C101-N105 PolarHBondContact O-OD1 2.85Å; C101-K106 HydrophobicContact CB-CB 4.47Å; C101-K106 PolarHBondContact N-O 3.2Å; C101-F108 HydrophobicContact CB-CE2 4.47Å; C101-L114 HydrophobicContact CB-CD1 3.9Å; C101-H117 VanDerWaalsContact CB-CD2 3.49Å; C101-H117 WeakPolarHBondContact CB-CD2 3.34Å; C101-H117 VanDerWaalsContact CB-NE2 3.32Å; C101-H117 WeakPolarHBondContact CB-NE2 3.44Å; C101-H117 PolarHBondContact SG-NE2 3.18Å; C101-L118 HydrophobicContact CB-CD2 4.41Å; C101-L118 VanDerWaalsContact SG-CD2 3.59Å; C101-H121 PolarHBondContact SG-CD2 3.46Å; C101-H121 PolarHBondContact SG-NE2 2.89Å
102N54Low61.5Low133 Ų13395.6 Ų95.671%0.71149%0.492SS*.THydrogen-bonded Turntrans-68.6-16.8174.560.1-21000113.7C100 L118C100-N102 PolarHBondContact O-N 2.85Å; N102-L118 WeakPolarHBondContact OD1-CD2 3.45Å
103V58.9Low61.5Low92 Ų9294.1 Ų94.156%0.55848%0.482SS*.THydrogen-bonded Turntrans-89.9-41.8179.6-173.80000112.3C101 H121C101-V103 PolarHBondContact O-N 3.16Å; C101-V103 PolarHBondContact SG-N 3.35Å; V103-H121 HydrophobicContact CB-CB 4.22Å; V103-H121 HydrophobicContact CG1-CB 4.13Å; V103-H121 WeakPolarHBondContact CG1-ND1 3.33Å; V103-H121 HydrophobicContact CG2-CB 4.05Å
104C60.6Low61.2Low50 Ų5091.8 Ų91.834%0.33847%0.472SS..THydrogen-bonded Turntrans-131.212.4-175.979.80000115.1C101 K106 H117 H121C101-C104 PolarHBondContact SG-N 2.81Å; C101-C104 VanDerWaalsContact SG-N 3.37Å; C104-K106 PolarHBondContact O-N 3.26Å; C104-K106 VanDerWaalsContact SG-CG 3.58Å; C104-H117 PolarHBondContact SG-CE1 2.73Å; C104-H117 PolarHBondContact SG-NE2 3.09Å; C104-H121 PolarHBondContact SG-CE1 3.06Å; C104-H121 PolarHBondContact SG-NE2 3.15Å
105N58.6Low61.1Low120 Ų12091.1 Ų91.164%0.64247%0.471SS*.  trans54.718.7176.6-69.7-31.9000115.9C101C101-N105 WeakPolarHBondContact O-CA 3.43Å; C101-N105 PolarHBondContact O-N 2.79Å; C101-N105 PolarHBondContact O-OD1 2.85Å
106K60.7Low61.5Low129 Ų12985 Ų8556%0.56145%0.446SS*.  trans-68.3139.9172-78.4-174-175-167.30110.3C100 C101 C104 F108C100-K106 CarbonylContact C-O 3.51Å; C100-K106 WeakPolarHBondContact CA-O 3.49Å; C101-K106 HydrophobicContact CB-CB 4.47Å; C101-K106 PolarHBondContact N-O 3.2Å; C104-K106 PolarHBondContact O-N 3.26Å; C104-K106 VanDerWaalsContact SG-CG 3.58Å; K106-F108 HydrophobicContact CB-CE2 3.66Å; K106-F108 HydrophobicContact CB-CZ 3.98Å; K106-F108 WeakPolarHBondContact O-CD2 3.43Å; K106-F108 WeakPolarHBondContact O-CE2 3.15Å
107K61.9Low62.2Low135 Ų13581.3 Ų81.359%0.58742%0.422SS*.EExtended strand (participates in β ladder)trans-103.4130.6-171.5-75.4154.5158.3-136.60110.4Q98Q98-K107 HydrophobicContact CB-CB 3.8Å; Q98-K107 HydrophobicContact CB-CG 3.9Å; Q98-K107 HydrophobicContact CG-CB 4.12Å; Q98-K107 HydrophobicContact CG-CG 4.41Å
108F67.9Low62.6Low42 Ų4275.1 Ų75.118%0.18439%0.394CS..EExtended strand (participates in β ladder)trans-126.3146.4-179.3-61.1-90.4000111.1Q98 Y99 C101 K106 L114 H117Q98-F108 CarbonylContact C-O 3.33Å; Q98-F108 WeakPolarHBondContact CA-O 3.39Å; Y99-F108 PolarHBondContact N-O 3.39Å; Y99-F108 WeakPolarHBondContact O-CD2 3.32Å; Y99-F108 PolarHBondContact O-N 3.33Å; C101-F108 HydrophobicContact CB-CE2 4.47Å; K106-F108 HydrophobicContact CB-CE2 3.66Å; K106-F108 HydrophobicContact CB-CZ 3.98Å; K106-F108 WeakPolarHBondContact O-CD2 3.43Å; K106-F108 WeakPolarHBondContact O-CE2 3.15Å; F108-L114 HydrophobicContact CB-CB 4.15Å; F108-L114 HydrophobicContact CD2-CB 4.01Å; F108-L114 HydrophobicContact CD2-CD1 3.72Å; F108-L114 HydrophobicContact CD2-CG 4.48Å; F108-L114 HydrophobicContact CE2-CD1 3.98Å; F108-L114 HydrophobicContact CG-CB 4.14Å; F108-H117 HydrophobicContact CE1-CB 3.84Å; F108-H117 HydrophobicContact CE2-CB 3.89Å; F108-H117 AromaticContact CE2-CD2 3.29Å; F108-H117 WeakPolarHBondContact CE2-CD2 3.37Å; F108-H117 AromaticContact CE2-CG 3.56Å; F108-H117 AromaticContact CE2-NE2 3.91Å; F108-H117 HydrophobicContact CZ-CB 3.35Å; F108-H117 AromaticContact CZ-CD2 3.44Å; F108-H117 VanDerWaalsContact CZ-CD2 3.44Å; F108-H117 WeakPolarHBondContact CZ-CD2 3.49Å; F108-H117 AromaticContact CZ-CG 3.17Å; F108-H117 AromaticContact CZ-ND1 3.69Å
109T67.1Low62.8Low86 Ų8675.4 Ų75.453%0.52840%0.395SS..SBendtrans-86.3-13.5176.353.50000112.8
110Q67.8Low62.8Low76 Ų7673.7 Ų73.736%0.35540%0.4SS..SBendtrans-134.1141.2-179.6-58.3-17811.200111.5T112 S113 L114Q110-T112 VanDerWaalsContact C-N 3.29Å; Q110-T112 PolarHBondContact O-N 3.47Å; Q110-T112 PolarHBondContact OE1-OG1 3.15Å; Q110-S113 PolarHBondContact O-N 3.46Å; Q110-L114 PolarHBondContact O-N 2.74Å; Q110-L114 VanDerWaalsContact O-N 3.09Å
111V63.7Low62.9Low63 Ų6374 Ų7438%0.38240%0.395SS..Hα-helixtrans-61.2-37176.1-179.20000111.7Y99 S113 L114 N115Y99-V111 HydrophobicContact CD1-CG2 3.71Å; Y99-V111 HydrophobicContact CD2-CG2 4.03Å; Y99-V111 HydrophobicContact CE1-CG2 3.25Å; Y99-V111 HydrophobicContact CE2-CG2 3.59Å; Y99-V111 HydrophobicContact CG-CG2 4.07Å; Y99-V111 WeakPolarHBondContact OH-CG2 3.43Å; V111-S113 VanDerWaalsContact C-N 3.35Å; V111-S113 PolarHBondContact O-N 3.49Å; V111-L114 PolarHBondContact O-N 3.33Å; V111-N115 WeakPolarHBondContact O-CB 3.39Å; V111-N115 VanDerWaalsContact O-CG 3.26Å; V111-N115 PolarHBondContact O-N 2.94Å
112T64.6Low62.8Low93 Ų9377.2 Ų77.257%0.57142%0.422SS*.Hα-helixtrans-61.7-43.2178.145.90000111.7Q110 N115 Q116Q110-T112 VanDerWaalsContact C-N 3.29Å; Q110-T112 PolarHBondContact O-N 3.47Å; Q110-T112 PolarHBondContact OE1-OG1 3.15Å; T112-N115 PolarHBondContact O-N 2.77Å; T112-Q116 WeakPolarHBondContact O-CB 3.36Å; T112-Q116 PolarHBondContact O-N 3.47Å
113S73.6Confident62.8Low41 Ų4173.7 Ų73.729%0.28742%0.417SS..Hα-helixtrans-66.9-39.5175.8-51.40000111.9Q110 V111 H117Q110-S113 PolarHBondContact O-N 3.46Å; V111-S113 VanDerWaalsContact C-N 3.35Å; V111-S113 PolarHBondContact O-N 3.49Å; S113-H117 VanDerWaalsContact O-CB 3.27Å; S113-H117 WeakPolarHBondContact O-CB 3.49Å; S113-H117 PolarHBondContact O-N 3.3Å
114L66.5Low62.6Low18 Ų1872.7 Ų72.79%0.09441%0.411CS..Hα-helixtrans-62.5-48.8171.7173.363000110.8C101 F108 Q110 V111 Q116 H117 L118C101-L114 HydrophobicContact CB-CD1 3.9Å; F108-L114 HydrophobicContact CB-CB 4.15Å; F108-L114 HydrophobicContact CD2-CB 4.01Å; F108-L114 HydrophobicContact CD2-CD1 3.72Å; F108-L114 HydrophobicContact CD2-CG 4.48Å; F108-L114 HydrophobicContact CE2-CD1 3.98Å; F108-L114 HydrophobicContact CG-CB 4.14Å; Q110-L114 PolarHBondContact O-N 2.74Å; Q110-L114 VanDerWaalsContact O-N 3.09Å; V111-L114 PolarHBondContact O-N 3.33Å; L114-Q116 VanDerWaalsContact C-N 3.35Å; L114-Q116 PolarHBondContact O-N 2.94Å; L114-H117 CarbonylContact O-C 3.54Å; L114-H117 WeakPolarHBondContact O-CA 3.32Å; L114-H117 WeakPolarHBondContact O-CB 3.27Å; L114-H117 PolarHBondContact O-N 3.2Å; L114-L118 HydrophobicContact CD1-CD1 4.12Å; L114-L118 HydrophobicContact CD1-CD2 4.19Å; L114-L118 HydrophobicContact CD1-CG 3.87Å; L114-L118 HydrophobicContact CD2-CD1 4.28Å; L114-L118 HydrophobicContact CG-CD1 3.88Å; L114-L118 HydrophobicContact CG-CG 4.09Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 2.73Å
115N63.7Low62.3Low83 Ų8374.3 Ų74.344%0.44442%0.419SS..Hα-helixtrans-61.4-43-178.3-75.4-13.9000111.6V111 T112 H117 L118 Q119V111-N115 WeakPolarHBondContact O-CB 3.39Å; V111-N115 VanDerWaalsContact O-CG 3.26Å; V111-N115 PolarHBondContact O-N 2.94Å; T112-N115 PolarHBondContact O-N 2.77Å; N115-H117 VanDerWaalsContact C-N 3.28Å; N115-H117 PolarHBondContact O-N 3.45Å; N115-L118 PolarHBondContact O-N 2.88Å; N115-Q119 WeakPolarHBondContact O-CG 3.18Å; N115-Q119 PolarHBondContact O-N 3.47Å; N115-Q119 VanDerWaalsContact O-N 3.13Å
116Q64.1Low62.4Low93 Ų9369.4 Ų69.444%0.43540%0.397SS..Hα-helixtrans-61-39.3172.5-172.9-178.915.100111.7T112 L114 Q119 K138T112-Q116 WeakPolarHBondContact O-CB 3.36Å; T112-Q116 PolarHBondContact O-N 3.47Å; L114-Q116 VanDerWaalsContact C-N 3.35Å; L114-Q116 PolarHBondContact O-N 2.94Å; Q116-Q119 WeakPolarHBondContact O-CB 3.46Å; Q116-Q119 PolarHBondContact O-N 3.12Å; Q116-K138 PolarHBondContact NE2-O 2.97Å
117H67.9Low62.4Low30 Ų3068 Ų6814%0.13939%0.388CS..Hα-helixtrans-68.2-35.9175.2169.370.7000113.2C101 C104 F108 S113 L114 N115 Q119 A120 H121C101-H117 VanDerWaalsContact CB-CD2 3.49Å; C101-H117 WeakPolarHBondContact CB-CD2 3.34Å; C101-H117 VanDerWaalsContact CB-NE2 3.32Å; C101-H117 WeakPolarHBondContact CB-NE2 3.44Å; C101-H117 PolarHBondContact SG-NE2 3.18Å; C104-H117 PolarHBondContact SG-CE1 2.73Å; C104-H117 PolarHBondContact SG-NE2 3.09Å; F108-H117 HydrophobicContact CE1-CB 3.84Å; F108-H117 HydrophobicContact CE2-CB 3.89Å; F108-H117 AromaticContact CE2-CD2 3.29Å; F108-H117 WeakPolarHBondContact CE2-CD2 3.37Å; F108-H117 AromaticContact CE2-CG 3.56Å; F108-H117 AromaticContact CE2-NE2 3.91Å; F108-H117 HydrophobicContact CZ-CB 3.35Å; F108-H117 AromaticContact CZ-CD2 3.44Å; F108-H117 VanDerWaalsContact CZ-CD2 3.44Å; F108-H117 WeakPolarHBondContact CZ-CD2 3.49Å; F108-H117 AromaticContact CZ-CG 3.17Å; F108-H117 AromaticContact CZ-ND1 3.69Å; S113-H117 VanDerWaalsContact O-CB 3.27Å; S113-H117 WeakPolarHBondContact O-CB 3.49Å; S113-H117 PolarHBondContact O-N 3.3Å; L114-H117 CarbonylContact O-C 3.54Å; L114-H117 WeakPolarHBondContact O-CA 3.32Å; L114-H117 WeakPolarHBondContact O-CB 3.27Å; L114-H117 PolarHBondContact O-N 3.2Å; N115-H117 VanDerWaalsContact C-N 3.28Å; N115-H117 PolarHBondContact O-N 3.45Å; H117-Q119 VanDerWaalsContact C-N 3.29Å; H117-Q119 PolarHBondContact O-N 2.74Å; H117-A120 VanDerWaalsContact O-CB 3.26Å; H117-A120 WeakPolarHBondContact O-CB 3.44Å; H117-A120 PolarHBondContact O-N 3.44Å; H117-H121 AromaticContact CD2-NE2 3.82Å; H117-H121 AromaticContact CE1-NE2 3.22Å; H117-H121 PolarHBondContact CE1-NE2 2.82Å; H117-H121 AromaticContact NE2-CD2 3.66Å; H117-H121 AromaticContact NE2-NE2 2.96Å; H117-H121 PolarHBondContact NE2-NE2 3.49Å
118L60.7Low61.6Low45 Ų4569.5 Ų69.524%0.23639%0.392CS..Hα-helixtrans-66.2-31.5176.2-69.8174.2000112.1C101 N102 L114 N115 A120 H121 A122C101-L118 HydrophobicContact CB-CD2 4.41Å; C101-L118 VanDerWaalsContact SG-CD2 3.59Å; N102-L118 WeakPolarHBondContact OD1-CD2 3.45Å; L114-L118 HydrophobicContact CD1-CD1 4.12Å; L114-L118 HydrophobicContact CD1-CD2 4.19Å; L114-L118 HydrophobicContact CD1-CG 3.87Å; L114-L118 HydrophobicContact CD2-CD1 4.28Å; L114-L118 HydrophobicContact CG-CD1 3.88Å; L114-L118 HydrophobicContact CG-CG 4.09Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 2.73Å; N115-L118 PolarHBondContact O-N 2.88Å; L118-A120 PolarHBondContact O-N 2.87Å; L118-H121 PolarHBondContact O-N 3.38Å; L118-H121 VanDerWaalsContact O-N 3.1Å; L118-A122 PolarHBondContact O-N 3.34Å
119Q64Low60.7Low98 Ų9867.7 Ų67.746%0.45838%0.384SS..Hα-helixtrans-59.3-32.8170.5-61.5-55-5000112.1N115 Q116 H117 H121 A122 V124N115-Q119 WeakPolarHBondContact O-CG 3.18Å; N115-Q119 PolarHBondContact O-N 3.47Å; N115-Q119 VanDerWaalsContact O-N 3.13Å; Q116-Q119 WeakPolarHBondContact O-CB 3.46Å; Q116-Q119 PolarHBondContact O-N 3.12Å; H117-Q119 VanDerWaalsContact C-N 3.29Å; H117-Q119 PolarHBondContact O-N 2.74Å; Q119-H121 VanDerWaalsContact C-N 3.31Å; Q119-H121 PolarHBondContact O-N 3.1Å; Q119-A122 PolarHBondContact O-N 2.83Å; Q119-V124 CarbonylContact C-O 3.58Å; Q119-V124 CarbonylContact O-C 3.46Å
120A60.6Low59.5Low56 Ų5668.6 Ų68.646%0.46339%0.392SS..Hα-helixtrans-68.9-27.2177.200000113.3H117 L118H117-A120 VanDerWaalsContact O-CB 3.26Å; H117-A120 WeakPolarHBondContact O-CB 3.44Å; H117-A120 PolarHBondContact O-N 3.44Å; L118-A120 PolarHBondContact O-N 2.87Å
121H53.8Low58.2Low70 Ų7073.3 Ų73.332%0.32441%0.406SS..Hα-helixtrans-78.4-33.1174-69.5-61.6000112.7C101 V103 C104 H117 L118 Q119 G123C101-H121 PolarHBondContact SG-CD2 3.46Å; C101-H121 PolarHBondContact SG-NE2 2.89Å; V103-H121 HydrophobicContact CB-CB 4.22Å; V103-H121 HydrophobicContact CG1-CB 4.13Å; V103-H121 WeakPolarHBondContact CG1-ND1 3.33Å; V103-H121 HydrophobicContact CG2-CB 4.05Å; C104-H121 PolarHBondContact SG-CE1 3.06Å; C104-H121 PolarHBondContact SG-NE2 3.15Å; H117-H121 AromaticContact CD2-NE2 3.82Å; H117-H121 AromaticContact CE1-NE2 3.22Å; H117-H121 PolarHBondContact CE1-NE2 2.82Å; H117-H121 AromaticContact NE2-CD2 3.66Å; H117-H121 AromaticContact NE2-NE2 2.96Å; H117-H121 PolarHBondContact NE2-NE2 3.49Å; L118-H121 PolarHBondContact O-N 3.38Å; L118-H121 VanDerWaalsContact O-N 3.1Å; Q119-H121 VanDerWaalsContact C-N 3.31Å; Q119-H121 PolarHBondContact O-N 3.1Å; H121-G123 PolarHBondContact O-N 3.46Å; H121-G123 VanDerWaalsContact O-N 3.15Å
122A57.8Low57.3Low69 Ų6972 Ų7257%0.5740%0.4SS*.THydrogen-bonded Turntrans-72.81.5178.500000113.6L118 Q119 V124L118-A122 PolarHBondContact O-N 3.34Å; Q119-A122 PolarHBondContact O-N 2.83Å; A122-V124 PolarHBondContact O-N 3.23Å
123G54.1Low56.3Low58 Ų5873.4 Ų73.460%0.59841%0.41SS*.THydrogen-bonded Turntrans69.2-10.3-174.900000114.1H121 T125H121-G123 PolarHBondContact O-N 3.46Å; H121-G123 VanDerWaalsContact O-N 3.15Å; G123-T125 PolarHBondContact O-N 2.95Å
124V55.3Low54.8Low72 Ų7280 Ų8044%0.43644%0.437SS..  trans-78.474169.5-171.50000107.8Q119 A122 G126Q119-V124 CarbonylContact C-O 3.58Å; Q119-V124 CarbonylContact O-C 3.46Å; A122-V124 PolarHBondContact O-N 3.23Å; V124-G126 PolarHBondContact O-N 3.45Å
125T53.3Low53.9Low84 Ų8484.6 Ų84.652%0.51546%0.456SS..  trans-7835.3-174.951.70000112.6G123 N136G123-T125 PolarHBondContact O-N 2.95Å; T125-N136 VanDerWaalsContact C-ND2 3.26Å; T125-N136 PolarHBondContact O-ND2 2.87Å; T125-N136 PolarHBondContact O-OD1 3.4Å; T125-N136 PolarHBondContact OG1-ND2 3.13Å
126G61.8Low53.3Low16 Ų1684.4 Ų84.417%0.16546%0.455CS..SBendtrans145.6-175.6171.600000115.9V124 N136 F137V124-G126 PolarHBondContact O-N 3.45Å; G126-N136 WeakPolarHBondContact CA-OD1 3.41Å; G126-F137 CarbonylContact C-O 3.25Å; G126-F137 WeakPolarHBondContact CA-O 3.32Å
127Y60.2Low53.3Low99 Ų9981.7 Ų81.739%0.38844%0.442SS..EExtended strand (participates in β ladder)trans-86.1123.3176.4-63.8-91.4000108.5F137 Q140Y127-F137 PolarHBondContact N-O 3.12Å; Y127-F137 WeakPolarHBondContact O-CD2 3.5Å; Y127-F137 PolarHBondContact O-N 2.82Å; Y127-Q140 HydrophobicContact CD1-CB 3.84Å; Y127-Q140 HydrophobicContact CD1-CG 3.85Å; Y127-Q140 HydrophobicContact CD2-CB 4.26Å; Y127-Q140 HydrophobicContact CE1-CB 3.51Å; Y127-Q140 HydrophobicContact CE1-CG 3.7Å; Y127-Q140 HydrophobicContact CE2-CB 3.97Å; Y127-Q140 HydrophobicContact CG-CB 4.19Å
128Y46Very low53.1Low167 Ų16787.7 Ų87.766%0.65547%0.467SS*.EExtended strand (participates in β ladder)trans-95.2141.3-174.847.6-93.4000111.8P130 L143Y128-P130 WeakPolarHBondContact O-CD 3.36Å; Y128-L143 WeakPolarHBondContact O-CD1 3.18Å; Y128-L143 WeakPolarHBondContact O-CD2 3.35Å
129C48.7Very low53.4Low4 Ų489 Ų893%0.02747%0.474CS..EExtended strand (participates in β ladder)trans-79.8122.4168.3177.60000110.3R131 C132 K135 L143 H146 M147 H150C129-R131 PolarHBondContact O-N 2.9Å; C129-R131 VanDerWaalsContact O-N 3.13Å; C129-R131 PolarHBondContact SG-N 3.46Å; C129-C132 HydrophobicContact CB-CB 3.92Å; C129-C132 CarbonylContact O-C 3.47Å; C129-C132 PolarHBondContact O-N 3.26Å; C129-C132 PolarHBondContact SG-N 3.31Å; C129-K135 HydrophobicContact CB-CB 4.43Å; C129-K135 PolarHBondContact N-O 3.43Å; C129-L143 HydrophobicContact CB-CD1 4.05Å; C129-H146 WeakPolarHBondContact CB-NE2 3.43Å; C129-H146 PolarHBondContact SG-NE2 3.17Å; C129-H146 VanDerWaalsContact SG-NE2 3.41Å; C129-M147 HydrophobicContact CB-CE 3.52Å; C129-M147 WeakPolarHBondContact SG-CE 3.41Å; C129-H150 VanDerWaalsContact SG-CD2 3.5Å; C129-H150 PolarHBondContact SG-NE2 3.41Å
130P41.3Very low53Low106 Ų10690.3 Ų90.369%0.68848%0.48SS*.THydrogen-bonded Turntrans-62.6-19.1175.9-22.834.3000114.3Y128Y128-P130 WeakPolarHBondContact O-CD 3.36Å
131R40.7Very low53.2Low174 Ų17491.3 Ų91.366%0.65748%0.484SS*.THydrogen-bonded Turntrans-103.3-15.8-179.9-66.9179.1-179.8172.41.4113.8C129 H150C129-R131 PolarHBondContact O-N 2.9Å; C129-R131 VanDerWaalsContact O-N 3.13Å; C129-R131 PolarHBondContact SG-N 3.46Å; R131-H150 PolarHBondContact NH1-O 3.37Å
132C44.8Very low53.9Low37 Ų3791.7 Ų91.725%0.2549%0.486CS..EExtended strand (participates in β ladder)trans-132.586.3179-720000109.1C129 E134 K135 H150C129-C132 HydrophobicContact CB-CB 3.92Å; C129-C132 CarbonylContact O-C 3.47Å; C129-C132 PolarHBondContact O-N 3.26Å; C129-C132 PolarHBondContact SG-N 3.31Å; C132-E134 PolarHBondContact O-N 3.15Å; C132-E134 VanDerWaalsContact O-N 3.09Å; C132-K135 HydrophobicContact CB-CB 3.9Å; C132-K135 HydrophobicContact CB-CG 3.75Å; C132-K135 PolarHBondContact O-N 3.33Å; C132-H150 PolarHBondContact SG-CE1 2.75Å
133P42.8Very low53.8Low121 Ų12189.7 Ų89.779%0.78647%0.466SS*.EExtended strand (participates in β ladder)trans-56.9-27.3-179.6-23.933.8000113.2K135P133-K135 VanDerWaalsContact C-N 3.3Å; P133-K135 PolarHBondContact O-N 3.3Å
134E43.7Very low54Low181 Ų18192.3 Ų92.385%0.84646%0.462SS*.EExtended strand (participates in β ladder)trans-75.1-12.8177.8-62.1-66.2155.700114C132C132-E134 PolarHBondContact O-N 3.15Å; C132-E134 VanDerWaalsContact O-N 3.09Å
135K45.6Very low54.1Low113 Ų11392.8 Ų92.849%0.49147%0.465SS..EExtended strand (participates in β ladder)trans-104.9110.2-174.5-65.6-67.4-173-179.50110.7C129 C132 P133 F137C129-K135 HydrophobicContact CB-CB 4.43Å; C129-K135 PolarHBondContact N-O 3.43Å; C132-K135 HydrophobicContact CB-CB 3.9Å; C132-K135 HydrophobicContact CB-CG 3.75Å; C132-K135 PolarHBondContact O-N 3.33Å; P133-K135 VanDerWaalsContact C-N 3.3Å; P133-K135 PolarHBondContact O-N 3.3Å; K135-F137 HydrophobicContact CB-CE2 3.75Å; K135-F137 HydrophobicContact CB-CZ 3.9Å
136N51.8Low54.7Low80 Ų8089.9 Ų89.943%0.42845%0.446SS..EExtended strand (participates in β ladder)trans-114.1132.1176.5174-36.5000109.8T125 G126T125-N136 VanDerWaalsContact C-ND2 3.26Å; T125-N136 PolarHBondContact O-ND2 2.87Å; T125-N136 PolarHBondContact O-OD1 3.4Å; T125-N136 PolarHBondContact OG1-ND2 3.13Å; G126-N136 WeakPolarHBondContact CA-OD1 3.41Å
137F65Low54.2Low35 Ų3591.9 Ų91.915%0.15445%0.451CS..EExtended strand (participates in β ladder)trans-115.7137.5-178.8-59.3-83.2000112.3G126 Y127 K135 L139 Q142 L143 H146G126-F137 CarbonylContact C-O 3.25Å; G126-F137 WeakPolarHBondContact CA-O 3.32Å; Y127-F137 PolarHBondContact N-O 3.12Å; Y127-F137 WeakPolarHBondContact O-CD2 3.5Å; Y127-F137 PolarHBondContact O-N 2.82Å; K135-F137 HydrophobicContact CB-CE2 3.75Å; K135-F137 HydrophobicContact CB-CZ 3.9Å; F137-L139 PolarHBondContact O-N 3.27Å; F137-Q142 HydrophobicContact CB-CB 3.9Å; F137-Q142 HydrophobicContact CD1-CB 3.73Å; F137-Q142 HydrophobicContact CG-CB 4.13Å; F137-L143 HydrophobicContact CB-CB 4.18Å; F137-L143 HydrophobicContact CD2-CB 3.93Å; F137-L143 HydrophobicContact CD2-CD1 3.67Å; F137-L143 HydrophobicContact CD2-CG 4.44Å; F137-L143 HydrophobicContact CE2-CD1 3.95Å; F137-L143 HydrophobicContact CG-CB 4.19Å; F137-H146 HydrophobicContact CE1-CB 3.75Å; F137-H146 HydrophobicContact CE2-CB 3.86Å; F137-H146 AromaticContact CE2-CD2 3.11Å; F137-H146 WeakPolarHBondContact CE2-CD2 3.48Å; F137-H146 AromaticContact CE2-CG 3.6Å; F137-H146 AromaticContact CE2-NE2 3.81Å; F137-H146 HydrophobicContact CZ-CB 3.33Å; F137-H146 AromaticContact CZ-CD2 3.17Å; F137-H146 WeakPolarHBondContact CZ-CD2 3.38Å; F137-H146 AromaticContact CZ-CG 3.16Å; F137-H146 AromaticContact CZ-ND1 3.8Å; F137-H146 AromaticContact CZ-NE2 3.81Å
138K63.9Low54.2Low157 Ų15792.8 Ų92.868%0.68346%0.457SS*.SBendtrans-71.6-20.4179.7-61.7-177.7-177.5178.10113.1Q116Q116-K138 PolarHBondContact NE2-O 2.97Å
139L66.9Low54.6Low73 Ų7386.7 Ų86.738%0.38244%0.437SS..SBendtrans-135.7147.5-177.4-64173.9000111.5F137 S141 Q142 L143F137-L139 PolarHBondContact O-N 3.27Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 3.36Å; L139-Q142 HydrophobicContact CB-CB 4.48Å; L139-Q142 HydrophobicContact CB-CG 4.08Å; L139-Q142 WeakPolarHBondContact O-CB 3.37Å; L139-Q142 PolarHBondContact O-N 2.82Å; L139-Q142 VanDerWaalsContact O-N 3.11Å; L139-L143 PolarHBondContact O-N 2.95Å; L139-L143 VanDerWaalsContact O-N 3.17Å
140Q54.5Low54.8Low125 Ų12588.8 Ų88.858%0.58445%0.447SS*.Hα-helixtrans-63.5-32.8178.7-163.6172.1-22.200112.6Y127 Q142 L143 H144Y127-Q140 HydrophobicContact CD1-CB 3.84Å; Y127-Q140 HydrophobicContact CD1-CG 3.85Å; Y127-Q140 HydrophobicContact CD2-CB 4.26Å; Y127-Q140 HydrophobicContact CE1-CB 3.51Å; Y127-Q140 HydrophobicContact CE1-CG 3.7Å; Y127-Q140 HydrophobicContact CE2-CB 3.97Å; Y127-Q140 HydrophobicContact CG-CB 4.19Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q140-Q142 PolarHBondContact O-N 3.13Å; Q140-L143 PolarHBondContact O-N 3.05Å; Q140-H144 WeakPolarHBondContact O-CB 3.24Å; Q140-H144 PolarHBondContact O-N 3.2Å
141S64.4Low55.6Low77 Ų7786.5 Ų86.554%0.53844%0.443SS..Hα-helixtrans-64.6-34.2175.354.40000112.5L139 H144 T145L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 3.36Å; S141-H144 PolarHBondContact O-N 2.75Å; S141-T145 WeakPolarHBondContact O-CG2 3.44Å; S141-T145 PolarHBondContact O-N 2.99Å; S141-T145 PolarHBondContact O-OG1 2.93Å
142Q69.4Low56Low78 Ų7884 Ų8436%0.36444%0.441SS..Hα-helixtrans-71.6-40.8175.7-65.8172.9-15.700110.9F137 L139 Q140 H144 T145 H146F137-Q142 HydrophobicContact CB-CB 3.9Å; F137-Q142 HydrophobicContact CD1-CB 3.73Å; F137-Q142 HydrophobicContact CG-CB 4.13Å; L139-Q142 HydrophobicContact CB-CB 4.48Å; L139-Q142 HydrophobicContact CB-CG 4.08Å; L139-Q142 WeakPolarHBondContact O-CB 3.37Å; L139-Q142 PolarHBondContact O-N 2.82Å; L139-Q142 VanDerWaalsContact O-N 3.11Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q140-Q142 PolarHBondContact O-N 3.13Å; Q142-H144 VanDerWaalsContact C-N 3.35Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.31Å; Q142-T145 PolarHBondContact O-OG1 3.42Å; Q142-H146 WeakPolarHBondContact O-CB 3.38Å; Q142-H146 PolarHBondContact O-N 2.84Å
143L55.9Low56.4Low27 Ų2786.4 Ų86.414%0.14146%0.464CS..Hα-helixtrans-61.1-45.4169.9175.867.4000110.9Y128 C129 F137 L139 Q140 T145 H146 M147Y128-L143 WeakPolarHBondContact O-CD1 3.18Å; Y128-L143 WeakPolarHBondContact O-CD2 3.35Å; C129-L143 HydrophobicContact CB-CD1 4.05Å; F137-L143 HydrophobicContact CB-CB 4.18Å; F137-L143 HydrophobicContact CD2-CB 3.93Å; F137-L143 HydrophobicContact CD2-CD1 3.67Å; F137-L143 HydrophobicContact CD2-CG 4.44Å; F137-L143 HydrophobicContact CE2-CD1 3.95Å; F137-L143 HydrophobicContact CG-CB 4.19Å; L139-L143 PolarHBondContact O-N 2.95Å; L139-L143 VanDerWaalsContact O-N 3.17Å; Q140-L143 PolarHBondContact O-N 3.05Å; L143-T145 PolarHBondContact O-N 3.47Å; L143-H146 CarbonylContact O-C 3.54Å; L143-H146 WeakPolarHBondContact O-CB 3.5Å; L143-H146 PolarHBondContact O-N 3.34Å; L143-M147 HydrophobicContact CD1-CE 3.34Å; L143-M147 HydrophobicContact CD1-CG 4.36Å; L143-M147 HydrophobicContact CD1-SD 4.14Å; L143-M147 HydrophobicContact CG-CE 4.21Å; L143-M147 HydrophobicContact CG-CG 4.28Å; L143-M147 WeakPolarHBondContact O-CG 3.47Å; L143-M147 PolarHBondContact O-N 3.46Å
144H56.9Low56.9Low113 Ų11384.3 Ų84.352%0.52344%0.443SS..Hα-helixtrans-64.7-39.5-177.7-17881.1000112.8Q140 S141 Q142 M147Q140-H144 WeakPolarHBondContact O-CB 3.24Å; Q140-H144 PolarHBondContact O-N 3.2Å; S141-H144 PolarHBondContact O-N 2.75Å; Q142-H144 VanDerWaalsContact C-N 3.35Å; H144-M147 PolarHBondContact O-N 3.18Å
145T58.7Low57.4Low82 Ų8280 Ų8050%0.50343%0.431SS..Hα-helixtrans-66.4-39.5172440000111.6S141 Q142 L143 K148S141-T145 WeakPolarHBondContact O-CG2 3.44Å; S141-T145 PolarHBondContact O-N 2.99Å; S141-T145 PolarHBondContact O-OG1 2.93Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.31Å; Q142-T145 PolarHBondContact O-OG1 3.42Å; L143-T145 PolarHBondContact O-N 3.47Å; T145-K148 WeakPolarHBondContact O-CB 3.4Å; T145-K148 PolarHBondContact O-N 3.33Å
146H65.1Low57.8Low23 Ų2378.9 Ų78.911%0.10642%0.424CS..Hα-helixtrans-65.1-34.6171.3171.863.1000113.2C129 F137 Q142 L143 K148 T149 H150C129-H146 WeakPolarHBondContact CB-NE2 3.43Å; C129-H146 PolarHBondContact SG-NE2 3.17Å; C129-H146 VanDerWaalsContact SG-NE2 3.41Å; F137-H146 HydrophobicContact CE1-CB 3.75Å; F137-H146 HydrophobicContact CE2-CB 3.86Å; F137-H146 AromaticContact CE2-CD2 3.11Å; F137-H146 WeakPolarHBondContact CE2-CD2 3.48Å; F137-H146 AromaticContact CE2-CG 3.6Å; F137-H146 AromaticContact CE2-NE2 3.81Å; F137-H146 HydrophobicContact CZ-CB 3.33Å; F137-H146 AromaticContact CZ-CD2 3.17Å; F137-H146 WeakPolarHBondContact CZ-CD2 3.38Å; F137-H146 AromaticContact CZ-CG 3.16Å; F137-H146 AromaticContact CZ-ND1 3.8Å; F137-H146 AromaticContact CZ-NE2 3.81Å; Q142-H146 WeakPolarHBondContact O-CB 3.38Å; Q142-H146 PolarHBondContact O-N 2.84Å; L143-H146 CarbonylContact O-C 3.54Å; L143-H146 WeakPolarHBondContact O-CB 3.5Å; L143-H146 PolarHBondContact O-N 3.34Å; H146-K148 PolarHBondContact O-N 3.29Å; H146-K148 VanDerWaalsContact O-N 3.15Å; H146-T149 PolarHBondContact ND1-OG1 3.34Å; H146-T149 WeakPolarHBondContact O-CB 3.16Å; H146-T149 WeakPolarHBondContact O-CG2 3.45Å; H146-T149 PolarHBondContact O-N 2.87Å; H146-T149 PolarHBondContact O-OG1 3.36Å; H146-H150 AromaticContact CD2-NE2 3.67Å; H146-H150 AromaticContact CE1-CE1 3.53Å; H146-H150 AromaticContact CE1-NE2 3.05Å; H146-H150 PolarHBondContact CE1-NE2 2.97Å; H146-H150 AromaticContact ND1-NE2 3.79Å; H146-H150 AromaticContact NE2-CD2 3.97Å; H146-H150 AromaticContact NE2-CE1 3.79Å; H146-H150 AromaticContact NE2-NE2 2.95Å; H146-H150 PolarHBondContact NE2-NE2 3.31Å
147M51.2Low57.7Low58 Ų5879.7 Ų79.729%0.28643%0.425SS..Hα-helixtrans-62.2-26.4177.6-71.6-48.484.900112.3C129 L143 H144 T149 H150C129-M147 HydrophobicContact CB-CE 3.52Å; C129-M147 WeakPolarHBondContact SG-CE 3.41Å; L143-M147 HydrophobicContact CD1-CE 3.34Å; L143-M147 HydrophobicContact CD1-CG 4.36Å; L143-M147 HydrophobicContact CD1-SD 4.14Å; L143-M147 HydrophobicContact CG-CE 4.21Å; L143-M147 HydrophobicContact CG-CG 4.28Å; L143-M147 WeakPolarHBondContact O-CG 3.47Å; L143-M147 PolarHBondContact O-N 3.46Å; H144-M147 PolarHBondContact O-N 3.18Å; M147-T149 VanDerWaalsContact C-N 3.25Å; M147-T149 PolarHBondContact O-N 3.41Å; M147-H150 PolarHBondContact O-N 3.11Å
148K59.9Low57.4Low117 Ų11778.5 Ų78.551%0.50942%0.421SS..G310 helixtrans-69.8-20.8173.6-60.3178.6-178.6-173.60112.9T145 H146 H150T145-K148 WeakPolarHBondContact O-CB 3.4Å; T145-K148 PolarHBondContact O-N 3.33Å; H146-K148 PolarHBondContact O-N 3.29Å; H146-K148 VanDerWaalsContact O-N 3.15Å; K148-H150 PolarHBondContact O-N 3.13Å
149T55Low57.2Low39 Ų3978.7 Ų78.724%0.23943%0.429CS..G310 helixtrans-72.6-20174.676.50000112H146 M147 G151 L166H146-T149 PolarHBondContact ND1-OG1 3.34Å; H146-T149 WeakPolarHBondContact O-CB 3.16Å; H146-T149 WeakPolarHBondContact O-CG2 3.45Å; H146-T149 PolarHBondContact O-N 2.87Å; H146-T149 PolarHBondContact O-OG1 3.36Å; M147-T149 VanDerWaalsContact C-N 3.25Å; M147-T149 PolarHBondContact O-N 3.41Å; T149-G151 VanDerWaalsContact C-N 3.34Å; T149-L166 HydrophobicContact CG2-CD1 3.36Å
150H53Low56.6Low49 Ų4980.6 Ų80.623%0.22744%0.435CS..G310 helixtrans-91.16.7-178.3-62.4-51.2000113.9C129 R131 C132 H146 M147 K148C129-H150 VanDerWaalsContact SG-CD2 3.5Å; C129-H150 PolarHBondContact SG-NE2 3.41Å; R131-H150 PolarHBondContact NH1-O 3.37Å; C132-H150 PolarHBondContact SG-CE1 2.75Å; H146-H150 AromaticContact CD2-NE2 3.67Å; H146-H150 AromaticContact CE1-CE1 3.53Å; H146-H150 AromaticContact CE1-NE2 3.05Å; H146-H150 PolarHBondContact CE1-NE2 2.97Å; H146-H150 AromaticContact ND1-NE2 3.79Å; H146-H150 AromaticContact NE2-CD2 3.97Å; H146-H150 AromaticContact NE2-CE1 3.79Å; H146-H150 AromaticContact NE2-NE2 2.95Å; H146-H150 PolarHBondContact NE2-NE2 3.31Å; M147-H150 PolarHBondContact O-N 3.11Å; K148-H150 PolarHBondContact O-N 3.13Å
151G58Low56.8Low58 Ų5876.7 Ų76.760%0.59842%0.421SS*.SBendtrans-144.18.6-17200000116.3T149T149-G151 VanDerWaalsContact C-N 3.34Å
152L50.3Low55.9Low120 Ų12081 Ų8163%0.62844%0.437SS*.SBendtrans-140.4135.4178.4-67.4172000110.3
153A52.8Low54.7Low88 Ų8882.7 Ų82.773%0.72745%0.445SS*.  trans-54.2137.616700000109.3P155A153-P155 WeakPolarHBondContact O-CD 3.34Å; A153-P155 WeakPolarHBondContact O-CG 3.33Å
154F52.3Low54.7Low77 Ų7786.2 Ų86.234%0.33846%0.46SS..  trans-76.4101.9176-64-91.4000108.4Y156 K164 L166F154-Y156 PolarHBondContact O-N 3.03Å; F154-K164 HydrophobicContact CB-CB 3.58Å; F154-K164 HydrophobicContact CB-CD 4.21Å; F154-K164 HydrophobicContact CB-CG 4.5Å; F154-K164 HydrophobicContact CD1-CB 3.96Å; F154-K164 HydrophobicContact CD2-CB 4.28Å; F154-K164 HydrophobicContact CD2-CD 4.41Å; F154-K164 HydrophobicContact CG-CB 3.69Å; F154-K164 HydrophobicContact CG-CD 4.48Å; F154-L166 HydrophobicContact CD1-CD2 3.64Å; F154-L166 HydrophobicContact CD1-CG 3.81Å; F154-L166 HydrophobicContact CE1-CD1 4.32Å; F154-L166 HydrophobicContact CE1-CD2 3.79Å; F154-L166 HydrophobicContact CE1-CG 3.8Å; F154-L166 HydrophobicContact CG-CD2 4.37Å
155P53.9Low54.7Low91 Ų9182.3 Ų82.359%0.59144%0.441SS*.  trans-78-11-170.4-9.428.8000112.5A153A153-P155 WeakPolarHBondContact O-CD 3.34Å; A153-P155 WeakPolarHBondContact O-CG 3.33Å
156Y54.4Low54.1Low89 Ų8981.5 Ų81.535%0.34943%0.433SS..EExtended strand (participates in β ladder)trans-123105.7-172.1-55.3-69.7000109F154 F165 Q168F154-Y156 PolarHBondContact O-N 3.03Å; Y156-F165 PolarHBondContact O-N 3.43Å; Y156-Q168 HydrophobicContact CD1-CB 4.15Å; Y156-Q168 HydrophobicContact CE1-CB 3.91Å; Y156-Q168 HydrophobicContact CE1-CG 4.5Å
157E50.2Low53.4Low98 Ų9885.7 Ų85.746%0.45845%0.453SS..EExtended strand (participates in β ladder)trans-107.6149.3-178.3-56.2-168.815500109.5K164 L171E157-K164 HydrophobicContact CG-CD 4.3Å; E157-K164 HydrophobicContact CG-CG 4.25Å; E157-K164 WeakPolarHBondContact OE1-CD 3.46Å; E157-K164 VanDerWaalsContact OE1-CE 3.3Å; E157-K164 WeakPolarHBondContact OE1-CE 3.48Å; E157-K164 IonicContact OE1-NZ 3.01Å; E157-K164 PolarHBondContact OE1-NZ 3Å; E157-L171 WeakPolarHBondContact O-CD2 3.38Å
158C57.8Low53.4Low10 Ų1086.5 Ų86.57%0.06846%0.456CS..  trans-87.8121.8174.9179.40000110.3K160 C161 E163 F165 L171 H174C158-K160 PolarHBondContact O-N 3.09Å; C158-K160 VanDerWaalsContact O-N 3.12Å; C158-K160 PolarHBondContact SG-N 2.79Å; C158-K160 VanDerWaalsContact SG-N 3.43Å; C158-C161 WeakPolarHBondContact CB-O 3.35Å; C158-C161 PolarHBondContact O-N 3.35Å; C158-E163 PolarHBondContact N-O 3.19Å; C158-E163 VanDerWaalsContact N-O 3.16Å; C158-F165 HydrophobicContact CB-CE2 4.06Å; C158-L171 HydrophobicContact CB-CD1 3.87Å; C158-H174 PolarHBondContact SG-CD2 3.44Å; C158-H174 PolarHBondContact SG-NE2 2.93Å
159D60.2Low53.2Low160 Ų16084 Ų8486%0.85646%0.457SS*.THydrogen-bonded Turntrans-69.2-10.3178.9-57-33.3000113.4
160K54.8Low53Low113 Ų11386.6 Ų86.649%0.49147%0.466SS..THydrogen-bonded Turntrans-105.7-13-178.2-62.5179.1-179.41750113.5C158 H178 D179C158-K160 PolarHBondContact O-N 3.09Å; C158-K160 VanDerWaalsContact O-N 3.12Å; C158-K160 PolarHBondContact SG-N 2.79Å; C158-K160 VanDerWaalsContact SG-N 3.43Å; K160-H178 HydrophobicContact CD-CB 3.53Å; K160-D179 VanDerWaalsContact NZ-CG 3.29Å; K160-D179 IonicContact NZ-OD1 3.96Å; K160-D179 PolarHBondContact NZ-OD1 3.17Å; K160-D179 IonicContact NZ-OD2 3.98Å; K160-D179 PolarHBondContact NZ-OD2 3.26Å; K160-D179 VanDerWaalsContact NZ-OD2 3.12Å
161C59.4Low53.3Low43 Ų4384.7 Ų84.729%0.29146%0.458SS..SBendtrans-161.8162.117569.10000112.7C158 E163 H174C158-C161 WeakPolarHBondContact CB-O 3.35Å; C158-C161 PolarHBondContact O-N 3.35Å; C161-E163 PolarHBondContact O-N 2.69Å; C161-H174 VanDerWaalsContact SG-CE1 3.52Å; C161-H174 PolarHBondContact SG-NE2 2.91Å
162D45.6Very low53.5Low167 Ų16785.3 Ų85.389%0.89345%0.447SS*.SBendtrans-70.116.8-175.6-59.4-36.6000115.5
163E44.1Very low53.9Low114 Ų11485.8 Ų85.853%0.53345%0.447SS..  trans-82.1131.9178.5-73.7-73.1152.800110.5C158 C161 F165C158-E163 PolarHBondContact N-O 3.19Å; C158-E163 VanDerWaalsContact N-O 3.16Å; C161-E163 PolarHBondContact O-N 2.69Å; E163-F165 HydrophobicContact CB-CE2 3.78Å; E163-F165 HydrophobicContact CB-CZ 3.77Å; E163-F165 WeakPolarHBondContact O-CE2 3.36Å
164K54.8Low54.4Low102 Ų10282.8 Ų82.844%0.44342%0.417SS..EExtended strand (participates in β ladder)trans-118.4137.4-176.8-51.6-168.4179.5-151.20111.1F154 E157F154-K164 HydrophobicContact CB-CB 3.58Å; F154-K164 HydrophobicContact CB-CD 4.21Å; F154-K164 HydrophobicContact CB-CG 4.5Å; F154-K164 HydrophobicContact CD1-CB 3.96Å; F154-K164 HydrophobicContact CD2-CB 4.28Å; F154-K164 HydrophobicContact CD2-CD 4.41Å; F154-K164 HydrophobicContact CG-CB 3.69Å; F154-K164 HydrophobicContact CG-CD 4.48Å; E157-K164 HydrophobicContact CG-CD 4.3Å; E157-K164 HydrophobicContact CG-CG 4.25Å; E157-K164 WeakPolarHBondContact OE1-CD 3.46Å; E157-K164 VanDerWaalsContact OE1-CE 3.3Å; E157-K164 WeakPolarHBondContact OE1-CE 3.48Å; E157-K164 IonicContact OE1-NZ 3.01Å; E157-K164 PolarHBondContact OE1-NZ 3Å
165F56.5Low54.9Low31 Ų3181.3 Ų81.314%0.13641%0.413CS..EExtended strand (participates in β ladder)trans-120.9148-170.5-58.4-87.6000111.6Y156 C158 E163 H170 L171 H174Y156-F165 PolarHBondContact O-N 3.43Å; C158-F165 HydrophobicContact CB-CE2 4.06Å; E163-F165 HydrophobicContact CB-CE2 3.78Å; E163-F165 HydrophobicContact CB-CZ 3.77Å; E163-F165 WeakPolarHBondContact O-CE2 3.36Å; F165-H170 HydrophobicContact CD1-CB 4.1Å; F165-L171 HydrophobicContact CB-CB 4.15Å; F165-L171 HydrophobicContact CD2-CB 3.99Å; F165-L171 HydrophobicContact CD2-CD1 3.68Å; F165-L171 HydrophobicContact CD2-CG 4.4Å; F165-L171 HydrophobicContact CE2-CD1 3.89Å; F165-L171 HydrophobicContact CG-CB 4.09Å; F165-H174 HydrophobicContact CE1-CB 3.84Å; F165-H174 HydrophobicContact CE2-CB 4.13Å; F165-H174 AromaticContact CE2-CD2 3.65Å; F165-H174 AromaticContact CE2-CG 3.77Å; F165-H174 HydrophobicContact CZ-CB 3.51Å; F165-H174 AromaticContact CZ-CD2 3.59Å; F165-H174 AromaticContact CZ-CE1 3.93Å; F165-H174 AromaticContact CZ-CG 3.22Å; F165-H174 AromaticContact CZ-ND1 3.48Å; F165-H174 WeakPolarHBondContact CZ-ND1 3.27Å
166L47.7Very low55.4Low64 Ų6483.7 Ų83.734%0.33541%0.414SS..SBendtrans-91.6-11.9178.7-68.8169.9000113.2T149 F154T149-L166 HydrophobicContact CG2-CD1 3.36Å; F154-L166 HydrophobicContact CD1-CD2 3.64Å; F154-L166 HydrophobicContact CD1-CG 3.81Å; F154-L166 HydrophobicContact CE1-CD1 4.32Å; F154-L166 HydrophobicContact CE1-CD2 3.79Å; F154-L166 HydrophobicContact CE1-CG 3.8Å; F154-L166 HydrophobicContact CG-CD2 4.37Å
167Q49.6Very low55.3Low111 Ų11183.2 Ų83.252%0.51942%0.416SS..SBendtrans-144132.7-178.1-65.2-175.5-19.500109.8A169 H170 L171Q167-A169 VanDerWaalsContact C-N 3.26Å; Q167-A169 PolarHBondContact O-N 3.17Å; Q167-H170 PolarHBondContact O-N 2.84Å; Q167-H170 PolarHBondContact OE1-CE1 3.25Å; Q167-L171 PolarHBondContact O-N 2.69Å
168Q51Low55.9Low75 Ų7581.9 Ų81.935%0.3541%0.409SS..Hα-helixtrans-53.3-40.7178.4-17564.336.100112.4Y156 H170 L171 D172Y156-Q168 HydrophobicContact CD1-CB 4.15Å; Y156-Q168 HydrophobicContact CE1-CB 3.91Å; Y156-Q168 HydrophobicContact CE1-CG 4.5Å; Q168-H170 PolarHBondContact O-N 3.22Å; Q168-H170 VanDerWaalsContact O-N 3.15Å; Q168-L171 CarbonylContact O-C 3.48Å; Q168-L171 WeakPolarHBondContact O-CA 3.17Å; Q168-L171 WeakPolarHBondContact O-CB 3.11Å; Q168-L171 PolarHBondContact O-N 3.45Å; Q168-D172 PolarHBondContact NE2-OD1 2.85Å; Q168-D172 VanDerWaalsContact O-CG 3.23Å; Q168-D172 PolarHBondContact O-N 3.32Å
169A55.1Low55.9Low64 Ų6486.9 Ų86.953%0.52944%0.436SS..Hα-helixtrans-59.2-30.7179.100000114Q167 Q173Q167-A169 VanDerWaalsContact C-N 3.26Å; Q167-A169 PolarHBondContact O-N 3.17Å; A169-Q173 WeakPolarHBondContact O-CB 3.43Å; A169-Q173 PolarHBondContact O-N 2.94Å; A169-Q173 VanDerWaalsContact O-N 3.12Å
170H52.1Low55.8Low94 Ų9486.2 Ų86.244%0.43543%0.427SS..Hα-helixtrans-80.8-32.9175.5-63.3142000112.1F165 Q167 Q168 H174F165-H170 HydrophobicContact CD1-CB 4.1Å; Q167-H170 PolarHBondContact O-N 2.84Å; Q167-H170 PolarHBondContact OE1-CE1 3.25Å; Q168-H170 PolarHBondContact O-N 3.22Å; Q168-H170 VanDerWaalsContact O-N 3.15Å; H170-H174 VanDerWaalsContact O-CB 3.26Å; H170-H174 WeakPolarHBondContact O-CB 3.42Å; H170-H174 PolarHBondContact O-N 3.27Å
171L58.6Low55.6Low10 Ų1083.3 Ų83.35%0.05242%0.415CS..Hα-helixtrans-64-45.9168.8174.160.9000110.1E157 C158 F165 Q167 Q168 Q173 H174 L175E157-L171 WeakPolarHBondContact O-CD2 3.38Å; C158-L171 HydrophobicContact CB-CD1 3.87Å; F165-L171 HydrophobicContact CB-CB 4.15Å; F165-L171 HydrophobicContact CD2-CB 3.99Å; F165-L171 HydrophobicContact CD2-CD1 3.68Å; F165-L171 HydrophobicContact CD2-CG 4.4Å; F165-L171 HydrophobicContact CE2-CD1 3.89Å; F165-L171 HydrophobicContact CG-CB 4.09Å; Q167-L171 PolarHBondContact O-N 2.69Å; Q168-L171 CarbonylContact O-C 3.48Å; Q168-L171 WeakPolarHBondContact O-CA 3.17Å; Q168-L171 WeakPolarHBondContact O-CB 3.11Å; Q168-L171 PolarHBondContact O-N 3.45Å; L171-Q173 VanDerWaalsContact C-N 3.3Å; L171-Q173 PolarHBondContact O-N 2.96Å; L171-H174 CarbonylContact O-C 3.45Å; L171-H174 WeakPolarHBondContact O-CA 3.39Å; L171-H174 WeakPolarHBondContact O-CB 3.12Å; L171-H174 PolarHBondContact O-N 2.9Å; L171-L175 HydrophobicContact CD1-CD1 3.96Å; L171-L175 HydrophobicContact CD1-CD2 4.19Å; L171-L175 HydrophobicContact CD1-CG 3.79Å; L171-L175 HydrophobicContact CD2-CD1 4.45Å; L171-L175 HydrophobicContact CG-CD1 3.82Å; L171-L175 HydrophobicContact CG-CG 4.13Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 3.46Å
172D62.9Low55.5Low70 Ų7090.1 Ų90.137%0.37444%0.439SS..Hα-helixtrans-60.9-39.7177.6-62-26.5000111.8Q168 K176Q168-D172 PolarHBondContact NE2-OD1 2.85Å; Q168-D172 VanDerWaalsContact O-CG 3.23Å; Q168-D172 PolarHBondContact O-N 3.32Å; D172-K176 VanDerWaalsContact O-CG 3.29Å; D172-K176 WeakPolarHBondContact O-CG 3.39Å; D172-K176 PolarHBondContact O-N 3.2Å; D172-K176 VanDerWaalsContact O-N 3.15Å
173Q57.9Low56.2Low131 Ų13185.5 Ų85.561%0.61241%0.411SS*.Hα-helixtrans-67.5-36.4173.7-173.8176.22.800112.1A169 L171A169-Q173 WeakPolarHBondContact O-CB 3.43Å; A169-Q173 PolarHBondContact O-N 2.94Å; A169-Q173 VanDerWaalsContact O-N 3.12Å; L171-Q173 VanDerWaalsContact C-N 3.3Å; L171-Q173 PolarHBondContact O-N 2.96Å
174H63.4Low56.9Low24 Ų2486.8 Ų86.811%0.11142%0.415CS..Hα-helixtrans-70.8-38.8175.2171.185.6000112.3C158 C161 F165 H170 L171 K176 M177 H178C158-H174 PolarHBondContact SG-CD2 3.44Å; C158-H174 PolarHBondContact SG-NE2 2.93Å; C161-H174 VanDerWaalsContact SG-CE1 3.52Å; C161-H174 PolarHBondContact SG-NE2 2.91Å; F165-H174 HydrophobicContact CE1-CB 3.84Å; F165-H174 HydrophobicContact CE2-CB 4.13Å; F165-H174 AromaticContact CE2-CD2 3.65Å; F165-H174 AromaticContact CE2-CG 3.77Å; F165-H174 HydrophobicContact CZ-CB 3.51Å; F165-H174 AromaticContact CZ-CD2 3.59Å; F165-H174 AromaticContact CZ-CE1 3.93Å; F165-H174 AromaticContact CZ-CG 3.22Å; F165-H174 AromaticContact CZ-ND1 3.48Å; F165-H174 WeakPolarHBondContact CZ-ND1 3.27Å; H170-H174 VanDerWaalsContact O-CB 3.26Å; H170-H174 WeakPolarHBondContact O-CB 3.42Å; H170-H174 PolarHBondContact O-N 3.27Å; L171-H174 CarbonylContact O-C 3.45Å; L171-H174 WeakPolarHBondContact O-CA 3.39Å; L171-H174 WeakPolarHBondContact O-CB 3.12Å; L171-H174 PolarHBondContact O-N 2.9Å; H174-K176 VanDerWaalsContact C-N 3.31Å; H174-K176 PolarHBondContact O-N 3.22Å; H174-M177 WeakPolarHBondContact O-CA 3.32Å; H174-M177 WeakPolarHBondContact O-CB 3.44Å; H174-M177 PolarHBondContact O-N 3.41Å; H174-H178 AromaticContact CD2-CD2 3.97Å; H174-H178 AromaticContact CD2-NE2 3.78Å; H174-H178 AromaticContact CE1-NE2 3.64Å; H174-H178 AromaticContact NE2-CD2 3.66Å; H174-H178 AromaticContact NE2-NE2 3.01Å; H174-H178 PolarHBondContact NE2-NE2 3.39Å
175L62.7Low57.3Low46 Ų4682.5 Ų82.524%0.24140%0.398CS..Hα-helixtrans-65.3-36177-71173.4000111.5L171 M177 H178 D179L171-L175 HydrophobicContact CD1-CD1 3.96Å; L171-L175 HydrophobicContact CD1-CD2 4.19Å; L171-L175 HydrophobicContact CD1-CG 3.79Å; L171-L175 HydrophobicContact CD2-CD1 4.45Å; L171-L175 HydrophobicContact CG-CD1 3.82Å; L171-L175 HydrophobicContact CG-CG 4.13Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 3.46Å; L175-M177 PolarHBondContact O-N 3.22Å; L175-H178 WeakPolarHBondContact O-CB 3.26Å; L175-H178 PolarHBondContact O-N 3.14Å; L175-D179 PolarHBondContact O-N 3.24Å
176K64.2Low57.3Low142 Ų14288.8 Ų88.862%0.61743%0.433SS*.Hα-helixtrans-59.7-26.5169.9-72.4172.5-174.7-175.90113.2D172 H174 E180D172-K176 VanDerWaalsContact O-CG 3.29Å; D172-K176 WeakPolarHBondContact O-CG 3.39Å; D172-K176 PolarHBondContact O-N 3.2Å; D172-K176 VanDerWaalsContact O-N 3.15Å; H174-K176 VanDerWaalsContact C-N 3.31Å; H174-K176 PolarHBondContact O-N 3.22Å; K176-E180 PolarHBondContact O-N 3.27Å
177M53.6Low57.7Low79 Ų7990.9 Ų90.939%0.38944%0.444SS..Hα-helixtrans-70-34.4173.6-61.4-151-54.600111.5H174 L175 D179 F181H174-M177 WeakPolarHBondContact O-CA 3.32Å; H174-M177 WeakPolarHBondContact O-CB 3.44Å; H174-M177 PolarHBondContact O-N 3.41Å; L175-M177 PolarHBondContact O-N 3.22Å; M177-D179 VanDerWaalsContact C-N 3.35Å; M177-D179 PolarHBondContact O-N 3.21Å; M177-F181 HydrophobicContact CB-CD2 4.47Å; M177-F181 HydrophobicContact CB-CE1 4.25Å; M177-F181 HydrophobicContact CB-CE2 3.57Å; M177-F181 HydrophobicContact CB-CZ 3.48Å; M177-F181 VanDerWaalsContact CB-CZ 3.48Å; M177-F181 HydrophobicContact CG-CZ 3.99Å; M177-F181 WeakPolarHBondContact O-CD2 3.49Å; M177-F181 WeakPolarHBondContact O-CE2 3.44Å; M177-F181 WeakPolarHBondContact O-CG 3.29Å; M177-F181 HydrophobicContact SD-CZ 3.85Å
178H62.4Low58Low69 Ų6987.2 Ų87.232%0.31943%0.429SS..Hα-helixtrans-68.6-32.2176-71.2-76.6000113.5K160 H174 L175K160-H178 HydrophobicContact CD-CB 3.53Å; H174-H178 AromaticContact CD2-CD2 3.97Å; H174-H178 AromaticContact CD2-NE2 3.78Å; H174-H178 AromaticContact CE1-NE2 3.64Å; H174-H178 AromaticContact NE2-CD2 3.66Å; H174-H178 AromaticContact NE2-NE2 3.01Å; H174-H178 PolarHBondContact NE2-NE2 3.39Å; L175-H178 WeakPolarHBondContact O-CB 3.26Å; L175-H178 PolarHBondContact O-N 3.14Å
179D57.5Low57.9Low116 Ų11690 Ų9062%0.6246%0.455SS*.Hα-helixtrans-94.4-13.3-172.8-67.6-43.2000114.5K160 L175 M177K160-D179 VanDerWaalsContact NZ-CG 3.29Å; K160-D179 IonicContact NZ-OD1 3.96Å; K160-D179 PolarHBondContact NZ-OD1 3.17Å; K160-D179 IonicContact NZ-OD2 3.98Å; K160-D179 PolarHBondContact NZ-OD2 3.26Å; K160-D179 VanDerWaalsContact NZ-OD2 3.12Å; L175-D179 PolarHBondContact O-N 3.24Å; M177-D179 VanDerWaalsContact C-N 3.35Å; M177-D179 PolarHBondContact O-N 3.21Å
180E58.1Low57.7Low145 Ų14589.1 Ų89.168%0.67844%0.444SS*.SBendtrans-120.514.9-177.7-71.1-164.9143.300116.1K176 K182K176-E180 PolarHBondContact O-N 3.27Å; E180-K182 PolarHBondContact O-N 3.13Å
181F50.9Low58.1Low52 Ų5286.8 Ų86.823%0.22844%0.439CS..  trans-85.489.2173.2-67.5-32.7000112.7M177 F183 S191 F192 N193M177-F181 HydrophobicContact CB-CD2 4.47Å; M177-F181 HydrophobicContact CB-CE1 4.25Å; M177-F181 HydrophobicContact CB-CE2 3.57Å; M177-F181 HydrophobicContact CB-CZ 3.48Å; M177-F181 VanDerWaalsContact CB-CZ 3.48Å; M177-F181 HydrophobicContact CG-CZ 3.99Å; M177-F181 WeakPolarHBondContact O-CD2 3.49Å; M177-F181 WeakPolarHBondContact O-CE2 3.44Å; M177-F181 WeakPolarHBondContact O-CG 3.29Å; M177-F181 HydrophobicContact SD-CZ 3.85Å; F181-F183 VanDerWaalsContact C-N 3.31Å; F181-S191 VanDerWaalsContact CD2-CB 3.48Å; F181-F192 WeakPolarHBondContact CA-O 3.4Å; F181-F192 WeakPolarHBondContact CD1-O 3.36Å; F181-N193 VanDerWaalsContact CD1-CA 3.46Å; F181-N193 HydrophobicContact CD1-CB 3.53Å; F181-N193 HydrophobicContact CE1-CB 3.55Å
182K57.5Low58.5Low186 Ų18688.2 Ų88.281%0.80944%0.444SS*.  trans-71.2-22.4169.9-80.8-175.4176.6179.50113.8E180E180-K182 PolarHBondContact O-N 3.13Å
183F60Low58.3Low70 Ų7089 Ų8931%0.30745%0.448SS..EExtended strand (participates in β ladder)trans-112.999.2-168.6-58.3-74.9000111F181 F192 E195 L198F181-F183 VanDerWaalsContact C-N 3.31Å; F183-F192 PolarHBondContact N-O 3.41Å; F183-F192 PolarHBondContact O-N 3.4Å; F183-E195 HydrophobicContact CD1-CB 3.96Å; F183-E195 HydrophobicContact CD1-CG 3.95Å; F183-E195 HydrophobicContact CD2-CB 4.22Å; F183-E195 HydrophobicContact CE1-CB 3.76Å; F183-E195 HydrophobicContact CE1-CG 3.85Å; F183-E195 HydrophobicContact CE2-CB 4.04Å; F183-E195 HydrophobicContact CG-CB 4.18Å; F183-E195 HydrophobicContact CZ-CB 3.8Å; F183-E195 HydrophobicContact CZ-CG 4.38Å; F183-L198 HydrophobicContact CB-CB 4.15Å; F183-L198 HydrophobicContact CB-CD2 3.75Å
184K59.4Low58.2Low142 Ų14288 Ų8862%0.61744%0.444SS*.EExtended strand (participates in β ladder)trans-91.6146.8178.7-58.1-179.9-178.2-179.30109.7L198K184-L198 WeakPolarHBondContact O-CD2 3.41Å
185C63.3Low58Low11 Ų1191.1 Ų91.17%0.07446%0.458CS..  trans-85.4128.2171.2-176.30000110I187 S190 F192 L198 H201 H205C185-I187 PolarHBondContact O-N 3.02Å; C185-S190 WeakPolarHBondContact CB-O 3.42Å; C185-S190 PolarHBondContact N-O 3.41Å; C185-F192 HydrophobicContact CB-CE2 4.36Å; C185-L198 HydrophobicContact CB-CD1 3.75Å; C185-H201 VanDerWaalsContact SG-CD2 3.54Å; C185-H201 PolarHBondContact SG-NE2 2.89Å; C185-H201 VanDerWaalsContact SG-NE2 3.41Å; C185-H205 PolarHBondContact SG-NE2 3.43Å; C185-H205 VanDerWaalsContact SG-NE2 3.4Å
186D56.1Low58Low163 Ų16391.6 Ų91.687%0.87247%0.466SS*.SBendtrans-77.8-8.3-178.7-55.3-41.4000113.3
187I56.4Low57.9Low109 Ų10988.2 Ų88.256%0.55945%0.454SS*.SBendtrans-104.7-22.9-176.9-51.9166.2000111.4C185 H205C185-I187 PolarHBondContact O-N 3.02Å; I187-H205 WeakPolarHBondContact CB-CE1 3.39Å; I187-H205 WeakPolarHBondContact CB-ND1 3.47Å; I187-H205 HydrophobicContact CD1-CB 3.66Å; I187-H205 WeakPolarHBondContact CG2-CE1 3.47Å; I187-H205 WeakPolarHBondContact CG2-ND1 3.38Å
188C54.1Low58.4Low33 Ų3385.6 Ų85.622%0.22344%0.442CS..SBendtrans-151.3166.5178.276.50000112.4S190 H201C188-S190 PolarHBondContact O-N 3.46Å; C188-S190 PolarHBondContact SG-OG 2.92Å; C188-H201 PolarHBondContact SG-NE2 3.42Å
189P50Low58.5Low135 Ų13588.4 Ų88.488%0.87745%0.453SS*.SBendtrans-68.19.8-174.6-18.932.1000115.6
190S50.1Low58.6Low45 Ų4589.9 Ų89.932%0.31545%0.454SS..  trans-77.5133.8-176.2-58.10000111C185 C188C185-S190 WeakPolarHBondContact CB-O 3.42Å; C185-S190 PolarHBondContact N-O 3.41Å; C188-S190 PolarHBondContact O-N 3.46Å; C188-S190 PolarHBondContact SG-OG 2.92Å
191S61.9Low59.1Low45 Ų4584.2 Ų84.232%0.31543%0.427SS..EExtended strand (participates in β ladder)trans-121.5144.7178.1-62.10000110.4F181F181-S191 VanDerWaalsContact CD2-CB 3.48Å
192F66.9Low59.5Low39 Ų3984 Ų8417%0.17143%0.43CS..EExtended strand (participates in β ladder)trans-133.5147.2-171.1-58.7-88.7000111.8F181 F183 C185 L197 L198 H201F181-F192 WeakPolarHBondContact CA-O 3.4Å; F181-F192 WeakPolarHBondContact CD1-O 3.36Å; F183-F192 PolarHBondContact N-O 3.41Å; F183-F192 PolarHBondContact O-N 3.4Å; C185-F192 HydrophobicContact CB-CE2 4.36Å; F192-L197 HydrophobicContact CB-CB 4.47Å; F192-L197 HydrophobicContact CD1-CB 4Å; F192-L198 HydrophobicContact CB-CB 4.22Å; F192-L198 HydrophobicContact CD2-CB 4Å; F192-L198 HydrophobicContact CD2-CD1 3.65Å; F192-L198 HydrophobicContact CD2-CG 4.43Å; F192-L198 HydrophobicContact CE2-CD1 3.91Å; F192-L198 HydrophobicContact CG-CB 4.24Å; F192-H201 HydrophobicContact CE1-CB 4Å; F192-H201 HydrophobicContact CE2-CB 3.9Å; F192-H201 AromaticContact CE2-CD2 3.5Å; F192-H201 AromaticContact CE2-CG 3.57Å; F192-H201 AromaticContact CE2-NE2 3.98Å; F192-H201 HydrophobicContact CZ-CB 3.49Å; F192-H201 VanDerWaalsContact CZ-CB 3.49Å; F192-H201 AromaticContact CZ-CD2 3.64Å; F192-H201 AromaticContact CZ-CE1 3.85Å; F192-H201 AromaticContact CZ-CG 3.22Å; F192-H201 AromaticContact CZ-ND1 3.39Å; F192-H201 WeakPolarHBondContact CZ-ND1 3.49Å
193N57.8Low59.5Low86 Ų8679.9 Ų79.946%0.4641%0.414SS..SBendtrans-91.6-6.9-178.255.52000112.4F181F181-N193 VanDerWaalsContact CD1-CA 3.46Å; F181-N193 HydrophobicContact CD1-CB 3.53Å; F181-N193 HydrophobicContact CE1-CB 3.55Å
194Q55.3Low59.2Low112 Ų11283.1 Ų83.152%0.52342%0.424SS..SBendtrans-139.5134.9175.1-63.4-166.1-9.800110.6S196 L197 L198Q194-S196 PolarHBondContact O-N 3.22Å; Q194-L197 HydrophobicContact CB-CD1 4.18Å; Q194-L197 HydrophobicContact CB-CG 4.17Å; Q194-L197 WeakPolarHBondContact O-CB 3.4Å; Q194-L197 PolarHBondContact O-N 3.13Å; Q194-L198 PolarHBondContact O-N 3.28Å; Q194-L198 VanDerWaalsContact O-N 3.17Å
195E58.7Low59Low88 Ų8877.4 Ų77.441%0.41140%0.399SS..Hα-helixtrans-60-31.2177.8-163.2-171.515200112.3F183 L197 L198 K199F183-E195 HydrophobicContact CD1-CB 3.96Å; F183-E195 HydrophobicContact CD1-CG 3.95Å; F183-E195 HydrophobicContact CD2-CB 4.22Å; F183-E195 HydrophobicContact CE1-CB 3.76Å; F183-E195 HydrophobicContact CE1-CG 3.85Å; F183-E195 HydrophobicContact CE2-CB 4.04Å; F183-E195 HydrophobicContact CG-CB 4.18Å; F183-E195 HydrophobicContact CZ-CB 3.8Å; F183-E195 HydrophobicContact CZ-CG 4.38Å; E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.38Å; E195-L198 PolarHBondContact O-N 3.09Å; E195-K199 WeakPolarHBondContact O-CB 3.48Å; E195-K199 WeakPolarHBondContact O-CG 3.08Å; E195-K199 PolarHBondContact O-N 3.22Å; E195-K199 WeakPolarHBondContact OE1-CE 3.48Å; E195-K199 IonicContact OE1-NZ 2.67Å; E195-K199 PolarHBondContact OE1-NZ 2.94Å
196S64.1Low58.6Low57 Ų5782.2 Ų82.240%0.39943%0.428SS..Hα-helixtrans-64.3-31.1176.569.40000112.8Q194 K200Q194-S196 PolarHBondContact O-N 3.22Å; S196-K200 WeakPolarHBondContact O-CG 3.47Å; S196-K200 PolarHBondContact O-N 3.29Å
197L61.3Low58.3Low71 Ų7179.3 Ų79.337%0.37241%0.409SS..Hα-helixtrans-80.1-39.2176.4-62.8177000110.8F192 Q194 E195 K200 H201F192-L197 HydrophobicContact CB-CB 4.47Å; F192-L197 HydrophobicContact CD1-CB 4Å; Q194-L197 HydrophobicContact CB-CD1 4.18Å; Q194-L197 HydrophobicContact CB-CG 4.17Å; Q194-L197 WeakPolarHBondContact O-CB 3.4Å; Q194-L197 PolarHBondContact O-N 3.13Å; E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.38Å; L197-K200 PolarHBondContact O-N 2.78Å; L197-H201 VanDerWaalsContact O-CB 3.28Å; L197-H201 WeakPolarHBondContact O-CB 3.32Å; L197-H201 PolarHBondContact O-N 3.06Å
198L65.1Low58.1Low24 Ų2477 Ų7713%0.12641%0.412CS..Hα-helixtrans-60.3-46.9170.3176.864.1000110.8F183 K184 C185 F192 Q194 E195 K200 H201 V202F183-L198 HydrophobicContact CB-CB 4.15Å; F183-L198 HydrophobicContact CB-CD2 3.75Å; K184-L198 WeakPolarHBondContact O-CD2 3.41Å; C185-L198 HydrophobicContact CB-CD1 3.75Å; F192-L198 HydrophobicContact CB-CB 4.22Å; F192-L198 HydrophobicContact CD2-CB 4Å; F192-L198 HydrophobicContact CD2-CD1 3.65Å; F192-L198 HydrophobicContact CD2-CG 4.43Å; F192-L198 HydrophobicContact CE2-CD1 3.91Å; F192-L198 HydrophobicContact CG-CB 4.24Å; Q194-L198 PolarHBondContact O-N 3.28Å; Q194-L198 VanDerWaalsContact O-N 3.17Å; E195-L198 PolarHBondContact O-N 3.09Å; L198-K200 PolarHBondContact O-N 3.48Å; L198-H201 CarbonylContact O-C 3.53Å; L198-H201 WeakPolarHBondContact O-CA 3.48Å; L198-H201 WeakPolarHBondContact O-CB 3.36Å; L198-H201 PolarHBondContact O-N 3.29Å; L198-V202 HydrophobicContact CD1-CG2 3.65Å; L198-V202 HydrophobicContact CG-CG2 4.03Å; L198-V202 WeakPolarHBondContact O-CB 3.33Å; L198-V202 WeakPolarHBondContact O-CG2 3.32Å; L198-V202 PolarHBondContact O-N 3.3Å
199K63.3Low58.1Low128 Ų12884 Ų8456%0.55743%0.434SS*.Hα-helixtrans-59.5-43.1177.8-78.5177.9-179.9165.20112.2E195 H201 Q203E195-K199 WeakPolarHBondContact O-CB 3.48Å; E195-K199 WeakPolarHBondContact O-CG 3.08Å; E195-K199 PolarHBondContact O-N 3.22Å; E195-K199 WeakPolarHBondContact OE1-CE 3.48Å; E195-K199 IonicContact OE1-NZ 2.67Å; E195-K199 PolarHBondContact OE1-NZ 2.94Å; K199-H201 VanDerWaalsContact C-N 3.32Å; K199-H201 PolarHBondContact O-N 3.33Å; K199-Q203 WeakPolarHBondContact O-CB 3.4Å; K199-Q203 PolarHBondContact O-N 2.93Å
200K60.6Low58.5Low147 Ų14780.5 Ų80.564%0.63940%0.403SS*.Hα-helixtrans-66.4-33.9174-73.9174-176.9174.80112.8S196 L197 L198 R204S196-K200 WeakPolarHBondContact O-CG 3.47Å; S196-K200 PolarHBondContact O-N 3.29Å; L197-K200 PolarHBondContact O-N 2.78Å; L198-K200 PolarHBondContact O-N 3.48Å; K200-R204 WeakPolarHBondContact O-CG 3.38Å; K200-R204 PolarHBondContact O-N 2.76Å
201H67.5Low58.8Low26 Ų2681.5 Ų81.512%0.1241%0.405CS..Hα-helixtrans-69.7-48.8175171.685.1000111.6C185 C188 F192 L197 L198 K199 Q203 R204 H205C185-H201 VanDerWaalsContact SG-CD2 3.54Å; C185-H201 PolarHBondContact SG-NE2 2.89Å; C185-H201 VanDerWaalsContact SG-NE2 3.41Å; C188-H201 PolarHBondContact SG-NE2 3.42Å; F192-H201 HydrophobicContact CE1-CB 4Å; F192-H201 HydrophobicContact CE2-CB 3.9Å; F192-H201 AromaticContact CE2-CD2 3.5Å; F192-H201 AromaticContact CE2-CG 3.57Å; F192-H201 AromaticContact CE2-NE2 3.98Å; F192-H201 HydrophobicContact CZ-CB 3.49Å; F192-H201 VanDerWaalsContact CZ-CB 3.49Å; F192-H201 AromaticContact CZ-CD2 3.64Å; F192-H201 AromaticContact CZ-CE1 3.85Å; F192-H201 AromaticContact CZ-CG 3.22Å; F192-H201 AromaticContact CZ-ND1 3.39Å; F192-H201 WeakPolarHBondContact CZ-ND1 3.49Å; L197-H201 VanDerWaalsContact O-CB 3.28Å; L197-H201 WeakPolarHBondContact O-CB 3.32Å; L197-H201 PolarHBondContact O-N 3.06Å; L198-H201 CarbonylContact O-C 3.53Å; L198-H201 WeakPolarHBondContact O-CA 3.48Å; L198-H201 WeakPolarHBondContact O-CB 3.36Å; L198-H201 PolarHBondContact O-N 3.29Å; K199-H201 VanDerWaalsContact C-N 3.32Å; K199-H201 PolarHBondContact O-N 3.33Å; H201-Q203 VanDerWaalsContact C-N 3.34Å; H201-Q203 PolarHBondContact O-N 3.1Å; H201-R204 WeakPolarHBondContact O-CA 3.44Å; H201-R204 VanDerWaalsContact O-CB 3.27Å; H201-R204 WeakPolarHBondContact O-CB 3.49Å; H201-R204 PolarHBondContact O-N 3.32Å; H201-H205 AromaticContact CD2-CD2 3.88Å; H201-H205 AromaticContact CD2-NE2 3.57Å; H201-H205 AromaticContact CE1-NE2 3.7Å; H201-H205 AromaticContact NE2-CD2 3.76Å; H201-H205 AromaticContact NE2-NE2 3Å; H201-H205 PolarHBondContact NE2-NE2 3.45Å; H201-H205 PolarHBondContact O-CD2 3.33Å; H201-H205 VanDerWaalsContact O-CD2 3.28Å; H201-H205 PolarHBondContact O-N 3.37Å
202V59.6Low58.4Low48 Ų4883.4 Ų83.429%0.29142%0.418SS..Hα-helixtrans-63.3-36.9175.8177.20000111.4L198 R204 H205 V206L198-V202 HydrophobicContact CD1-CG2 3.65Å; L198-V202 HydrophobicContact CG-CG2 4.03Å; L198-V202 WeakPolarHBondContact O-CB 3.33Å; L198-V202 WeakPolarHBondContact O-CG2 3.32Å; L198-V202 PolarHBondContact O-N 3.3Å; V202-R204 PolarHBondContact O-N 3Å; V202-H205 WeakPolarHBondContact O-CA 3.34Å; V202-H205 WeakPolarHBondContact O-CB 3.32Å; V202-H205 PolarHBondContact O-N 3.15Å; V202-V206 PolarHBondContact O-N 3.21Å
203Q57.7Low57.9Low98 Ų9882 Ų8246%0.45841%0.413SS..Hα-helixtrans-60.4-33.1172.2-172.564.224.700112.1K199 H201 H205 V206 E207K199-Q203 WeakPolarHBondContact O-CB 3.4Å; K199-Q203 PolarHBondContact O-N 2.93Å; H201-Q203 VanDerWaalsContact C-N 3.34Å; H201-Q203 PolarHBondContact O-N 3.1Å; Q203-H205 PolarHBondContact O-N 3.12Å; Q203-V206 PolarHBondContact O-N 2.79Å; Q203-E207 PolarHBondContact NE2-OE1 3.34Å; Q203-E207 VanDerWaalsContact NE2-OE1 3.14Å; Q203-E207 WeakPolarHBondContact O-CB 3.4Å; Q203-E207 WeakPolarHBondContact O-CG 3.19Å; Q203-E207 PolarHBondContact O-N 3.3Å
204R53.4Low57.7Low138 Ų13882.4 Ų82.452%0.52142%0.42SS..Hα-helixtrans-70.6-19.7171.8-72.2168.245.8154.1-1.9113.2K200 H201 V202K200-R204 WeakPolarHBondContact O-CG 3.38Å; K200-R204 PolarHBondContact O-N 2.76Å; H201-R204 WeakPolarHBondContact O-CA 3.44Å; H201-R204 VanDerWaalsContact O-CB 3.27Å; H201-R204 WeakPolarHBondContact O-CB 3.49Å; H201-R204 PolarHBondContact O-N 3.32Å; V202-R204 PolarHBondContact O-N 3Å
205H55.8Low57.9Low23 Ų2379.3 Ų79.311%0.10641%0.409CS..Hα-helixtrans-70.6-43.8169.4-70.5-100.7000111.5C185 I187 H201 V202 Q203 Y210C185-H205 PolarHBondContact SG-NE2 3.43Å; C185-H205 VanDerWaalsContact SG-NE2 3.4Å; I187-H205 WeakPolarHBondContact CB-CE1 3.39Å; I187-H205 WeakPolarHBondContact CB-ND1 3.47Å; I187-H205 HydrophobicContact CD1-CB 3.66Å; I187-H205 WeakPolarHBondContact CG2-CE1 3.47Å; I187-H205 WeakPolarHBondContact CG2-ND1 3.38Å; H201-H205 AromaticContact CD2-CD2 3.88Å; H201-H205 AromaticContact CD2-NE2 3.57Å; H201-H205 AromaticContact CE1-NE2 3.7Å; H201-H205 AromaticContact NE2-CD2 3.76Å; H201-H205 AromaticContact NE2-NE2 3Å; H201-H205 PolarHBondContact NE2-NE2 3.45Å; H201-H205 PolarHBondContact O-CD2 3.33Å; H201-H205 VanDerWaalsContact O-CD2 3.28Å; H201-H205 PolarHBondContact O-N 3.37Å; V202-H205 WeakPolarHBondContact O-CA 3.34Å; V202-H205 WeakPolarHBondContact O-CB 3.32Å; V202-H205 PolarHBondContact O-N 3.15Å; Q203-H205 PolarHBondContact O-N 3.12Å; H205-Y210 HydrophobicContact CB-CE2 4.4Å; H205-Y210 AromaticContact CE1-CZ 3.93Å; H205-Y210 PolarHBondContact CE1-OH 3.09Å; H205-Y210 VanDerWaalsContact CG-OH 3.23Å; H205-Y210 AromaticContact ND1-CE2 3.88Å; H205-Y210 AromaticContact ND1-CZ 3.53Å; H205-Y210 PolarHBondContact ND1-OH 3.45Å; H205-Y210 PolarHBondContact NE2-OH 3.16Å
206V54.6Low57.4Low111 Ų11179.2 Ų79.267%0.67342%0.423SS*.Hα-helixtrans-71.2-32.6-179.7-175.80000112.3V202 Q203 G208V202-V206 PolarHBondContact O-N 3.21Å; Q203-V206 PolarHBondContact O-N 2.79Å; V206-G208 VanDerWaalsContact C-N 3.29Å; V206-G208 PolarHBondContact O-N 3.37Å
207E49.3Very low56.8Low103 Ų10385 Ų8548%0.48145%0.45SS..THydrogen-bonded Turntrans-82.510-179.2-72.5180-165.600115.4Q203 R209Q203-E207 PolarHBondContact NE2-OE1 3.34Å; Q203-E207 VanDerWaalsContact NE2-OE1 3.14Å; Q203-E207 WeakPolarHBondContact O-CB 3.4Å; Q203-E207 WeakPolarHBondContact O-CG 3.19Å; Q203-E207 PolarHBondContact O-N 3.3Å; E207-R209 PolarHBondContact O-N 3.32Å; E207-R209 IonicContact OE2-NH2 3.12Å
208G53.3Low56.4Low59 Ų5983 Ų8361%0.60844%0.441SS*.THydrogen-bonded Turntrans60.837.8164.400000115.9V206V206-G208 VanDerWaalsContact C-N 3.29Å; V206-G208 PolarHBondContact O-N 3.37Å
209R53.7Low56Low181 Ų18186.9 Ų86.968%0.68348%0.477SS*.  trans-102.753.9170.3-63.7-165.3-144.6149.112.7112.2E207E207-R209 PolarHBondContact O-N 3.32Å; E207-R209 IonicContact OE2-NH2 3.12Å
210Y59Low55.5Low61 Ų6185.7 Ų85.724%0.23947%0.474CS..  trans-93.5141162.1-73.2-87.1000109.6H205 S212 A223H205-Y210 HydrophobicContact CB-CE2 4.4Å; H205-Y210 AromaticContact CE1-CZ 3.93Å; H205-Y210 PolarHBondContact CE1-OH 3.09Å; H205-Y210 VanDerWaalsContact CG-OH 3.23Å; H205-Y210 AromaticContact ND1-CE2 3.88Å; H205-Y210 AromaticContact ND1-CZ 3.53Å; H205-Y210 PolarHBondContact ND1-OH 3.45Å; H205-Y210 PolarHBondContact NE2-OH 3.16Å; Y210-S212 PolarHBondContact O-N 3.39Å; Y210-A223 HydrophobicContact CD1-CB 4.33Å; Y210-A223 HydrophobicContact CE1-CB 3.65Å
211L55.8Low55.2Low67 Ų6781.8 Ų81.835%0.35146%0.464SS..EExtended strand (participates in β ladder)trans-86.1105.6165.9-60.2163.8000106F222 R225 L228L211-F222 PolarHBondContact N-O 3.42Å; L211-F222 PolarHBondContact O-N 3.37Å; L211-F222 VanDerWaalsContact O-N 3.09Å; L211-R225 HydrophobicContact CD1-CB 3.63Å; L211-R225 HydrophobicContact CD1-CG 3.88Å; L211-L228 HydrophobicContact CB-CB 4.46Å; L211-L228 HydrophobicContact CB-CD2 3.4Å; L211-L228 VanDerWaalsContact CB-CD2 3.4Å; L211-L228 HydrophobicContact CD1-CD2 4.4Å; L211-L228 HydrophobicContact CG-CD2 4.47Å
212S53.6Low54.8Low84 Ų8482.2 Ų82.259%0.58747%0.466SS*.EExtended strand (participates in β ladder)trans-70.9145.5175.6540000110.3Y210 P214Y210-S212 PolarHBondContact O-N 3.39Å; S212-P214 WeakPolarHBondContact O-CD 3.44Å
213C57.3Low54.4Low9 Ų981.9 Ų81.96%0.06147%0.468CS..  trans-59.6124.8168.6-172.80000109.3V215 C218 E220 L228 H231 L232 H236C213-V215 PolarHBondContact O-N 3.39Å; C213-C218 HydrophobicContact CB-CB 4.08Å; C213-E220 PolarHBondContact N-O 2.87Å; C213-L228 HydrophobicContact CB-CD1 4.37Å; C213-H231 PolarHBondContact SG-NE2 3.34Å; C213-L232 VanDerWaalsContact SG-CD2 3.53Å; C213-H236 PolarHBondContact SG-CD2 3.21Å
214P53.5Low54.1Low96 Ų9680.6 Ų80.662%0.62347%0.467SS*.  trans-77.10.1-179.730.7-34.9000113.7S212 L232S212-P214 WeakPolarHBondContact O-CD 3.44Å; P214-L232 HydrophobicContact CG-CD2 4.44Å
215V58.3Low53.9Low46 Ų4681.8 Ų81.828%0.27947%0.472SS..SBendtrans-81.3126.6-178.9-179.60000110C213 N217 C218 L232 H236C213-V215 PolarHBondContact O-N 3.39Å; V215-N217 PolarHBondContact O-N 2.82Å; V215-C218 HydrophobicContact CB-CB 4.32Å; V215-C218 PolarHBondContact O-N 3.46Å; V215-C218 VanDerWaalsContact O-N 3.09Å; V215-L232 HydrophobicContact CG2-CD2 4.38Å; V215-H236 HydrophobicContact CG2-CB 3.93Å
216A49.6Very low53.5Low87 Ų8787.7 Ų87.772%0.71950%0.499SS*.THydrogen-bonded Turntrans-58.1132.3176.600000110.2
217N50.7Low53.5Low179 Ų17987.7 Ų87.796%0.95749%0.492SS*.THydrogen-bonded Turntrans75.312.1-173.7-53.5-24.6000116.8V215V215-N217 PolarHBondContact O-N 2.82Å
218C52.9Low54.1Low27 Ų2783.6 Ų83.618%0.18247%0.473CS..  trans-108.2113167.6-171.70000111C213 V215 E220 H231 H236C213-C218 HydrophobicContact CB-CB 4.08Å; V215-C218 HydrophobicContact CB-CB 4.32Å; V215-C218 PolarHBondContact O-N 3.46Å; V215-C218 VanDerWaalsContact O-N 3.09Å; C218-E220 VanDerWaalsContact C-N 3.35Å; C218-H231 PolarHBondContact SG-NE2 3.49Å; C218-H231 VanDerWaalsContact SG-NE2 3.43Å; C218-H236 PolarHBondContact SG-NE2 3.47Å; C218-H236 VanDerWaalsContact SG-NE2 3.36Å
219A57Low54.4Low107 Ų10783.3 Ų83.388%0.88446%0.462SS*.  trans-90.77.4-177.900000113.8
220E53.3Low54.8Low103 Ų10381.8 Ų81.848%0.48146%0.46SS..  trans-76.3142.2-176.5-65-157.5169.100112.7C213 C218 F222 H231C213-E220 PolarHBondContact N-O 2.87Å; C218-E220 VanDerWaalsContact C-N 3.35Å; E220-F222 HydrophobicContact CB-CE2 3.88Å; E220-F222 HydrophobicContact CB-CZ 3.92Å; E220-F222 WeakPolarHBondContact OE2-CZ 3.42Å; E220-H231 IonicContact OE2-CE1 3.85Å; E220-H231 PolarHBondContact OE2-CE1 2.93Å; E220-H231 IonicContact OE2-CG 3.94Å; E220-H231 IonicContact OE2-ND1 2.7Å; E220-H231 PolarHBondContact OE2-ND1 3.07Å
221S53.3Low55.2Low64 Ų6479.4 Ų79.445%0.44845%0.451SS..EExtended strand (participates in β ladder)trans-137.6137.8-175.280.50000111.1
222F59.6Low55.4Low36 Ų3677.5 Ų77.516%0.15844%0.441CS..EExtended strand (participates in β ladder)trans-124.5135.6-170.2-57.7-88.9000112.7L211 E220 V224 H227 L228 H231L211-F222 PolarHBondContact N-O 3.42Å; L211-F222 PolarHBondContact O-N 3.37Å; L211-F222 VanDerWaalsContact O-N 3.09Å; E220-F222 HydrophobicContact CB-CE2 3.88Å; E220-F222 HydrophobicContact CB-CZ 3.92Å; E220-F222 WeakPolarHBondContact OE2-CZ 3.42Å; F222-V224 VanDerWaalsContact C-N 3.28Å; F222-V224 PolarHBondContact O-N 3.39Å; F222-H227 HydrophobicContact CB-CB 4.33Å; F222-H227 HydrophobicContact CD1-CB 3.83Å; F222-H227 HydrophobicContact CG-CB 4.39Å; F222-L228 HydrophobicContact CB-CB 3.93Å; F222-L228 HydrophobicContact CD2-CB 3.77Å; F222-L228 HydrophobicContact CD2-CD1 3.57Å; F222-L228 HydrophobicContact CD2-CG 4.25Å; F222-L228 HydrophobicContact CE2-CD1 3.88Å; F222-L228 HydrophobicContact CG-CB 4Å; F222-H231 HydrophobicContact CE1-CB 3.86Å; F222-H231 HydrophobicContact CE2-CB 3.7Å; F222-H231 AromaticContact CE2-CD2 3.61Å; F222-H231 AromaticContact CE2-CG 3.49Å; F222-H231 VanDerWaalsContact CE2-CG 3.49Å; F222-H231 AromaticContact CE2-ND1 3.91Å; F222-H231 HydrophobicContact CZ-CB 3.29Å; F222-H231 AromaticContact CZ-CD2 3.84Å; F222-H231 AromaticContact CZ-CG 3.22Å; F222-H231 AromaticContact CZ-ND1 3.37Å; F222-H231 WeakPolarHBondContact CZ-ND1 3.09Å
223A50.1Low55.9Low40 Ų4080 Ų8033%0.33145%0.447SS..SBendtrans-73.2-19.7-178.900000113.5Y210Y210-A223 HydrophobicContact CD1-CB 4.33Å; Y210-A223 HydrophobicContact CE1-CB 3.65Å
224V52Low56.1Low72 Ų7283.9 Ų83.944%0.43647%0.471SS..SBendtrans-136.8134.5-175.2-174.50000109.5F222 Q226 H227 L228F222-V224 VanDerWaalsContact C-N 3.28Å; F222-V224 PolarHBondContact O-N 3.39Å; V224-Q226 HydrophobicContact CG1-CB 4.29Å; V224-Q226 PolarHBondContact O-N 3.15Å; V224-H227 PolarHBondContact O-N 3.23Å; V224-L228 PolarHBondContact O-N 2.84Å
225R49.6Very low56.4Low163 Ų16384 Ų8462%0.61547%0.466SS*.Hα-helixtrans-56.2-35.3-176.5-166.7176.4-178.8110.9-0.5113.3L211 H227 L228 S229L211-R225 HydrophobicContact CD1-CB 3.63Å; L211-R225 HydrophobicContact CD1-CG 3.88Å; R225-H227 VanDerWaalsContact C-N 3.29Å; R225-H227 PolarHBondContact O-N 3.01Å; R225-L228 PolarHBondContact O-N 3.33Å; R225-S229 WeakPolarHBondContact O-CB 3.38Å; R225-S229 PolarHBondContact O-N 3.36Å; R225-S229 PolarHBondContact O-OG 2.93Å
226Q48.1Very low56.7Low147 Ų14784.4 Ų84.469%0.68747%0.465SS*.Hα-helixtrans-62.4-34.3178.2-167175-1.300112.7V224 K230V224-Q226 HydrophobicContact CG1-CB 4.29Å; V224-Q226 PolarHBondContact O-N 3.15Å; Q226-K230 WeakPolarHBondContact O-CB 3.49Å; Q226-K230 PolarHBondContact O-N 3.13Å
227H54.7Low56.9Low111 Ų11183.6 Ų83.651%0.51446%0.458SS..Hα-helixtrans-78-37.6177.7-63.4173.5000111.9F222 V224 R225 K230 H231F222-H227 HydrophobicContact CB-CB 4.33Å; F222-H227 HydrophobicContact CD1-CB 3.83Å; F222-H227 HydrophobicContact CG-CB 4.39Å; V224-H227 PolarHBondContact O-N 3.23Å; R225-H227 VanDerWaalsContact C-N 3.29Å; R225-H227 PolarHBondContact O-N 3.01Å; H227-K230 PolarHBondContact O-N 3.3Å; H227-H231 WeakPolarHBondContact O-CB 3.36Å; H227-H231 PolarHBondContact O-N 3.01Å
228L61.1Low56.9Low17 Ų1783.6 Ų83.69%0.08945%0.452CS..Hα-helixtrans-61.5-45.3169.4175.261.6000111L211 C213 F222 V224 R225 K230 H231 L232L211-L228 HydrophobicContact CB-CB 4.46Å; L211-L228 HydrophobicContact CB-CD2 3.4Å; L211-L228 VanDerWaalsContact CB-CD2 3.4Å; L211-L228 HydrophobicContact CD1-CD2 4.4Å; L211-L228 HydrophobicContact CG-CD2 4.47Å; C213-L228 HydrophobicContact CB-CD1 4.37Å; F222-L228 HydrophobicContact CB-CB 3.93Å; F222-L228 HydrophobicContact CD2-CB 3.77Å; F222-L228 HydrophobicContact CD2-CD1 3.57Å; F222-L228 HydrophobicContact CD2-CG 4.25Å; F222-L228 HydrophobicContact CE2-CD1 3.88Å; F222-L228 HydrophobicContact CG-CB 4Å; V224-L228 PolarHBondContact O-N 2.84Å; R225-L228 PolarHBondContact O-N 3.33Å; L228-K230 VanDerWaalsContact C-N 3.29Å; L228-K230 PolarHBondContact O-N 3.49Å; L228-H231 PolarHBondContact O-N 3.35Å; L228-L232 HydrophobicContact CD1-CD1 3.89Å; L228-L232 HydrophobicContact CD1-CD2 4.34Å; L228-L232 HydrophobicContact CD1-CG 3.85Å; L228-L232 HydrophobicContact CD2-CD1 4.39Å; L228-L232 HydrophobicContact CG-CD1 3.81Å; L228-L232 HydrophobicContact CG-CG 4.22Å; L228-L232 VanDerWaalsContact O-CG 3.32Å; L228-L232 WeakPolarHBondContact O-CG 3.2Å; L228-L232 PolarHBondContact O-N 2.88Å
229S58.4Low56.5Low53 Ų5390.7 Ų90.737%0.37148%0.482SS..Hα-helixtrans-60.3-39.4177.8-70.60000112R225 L233R225-S229 WeakPolarHBondContact O-CB 3.38Å; R225-S229 PolarHBondContact O-N 3.36Å; R225-S229 PolarHBondContact O-OG 2.93Å; S229-L233 WeakPolarHBondContact O-CB 3.29Å; S229-L233 PolarHBondContact O-N 3.2Å; S229-L233 VanDerWaalsContact O-N 3.07Å
230K62.1Low55.6Low148 Ų14894.7 Ų94.764%0.64348%0.482SS*.Hα-helixtrans-66.7-44.5174.7-169.2177.8179.7-176.50111.9Q226 H227 L228 L233 T234Q226-K230 WeakPolarHBondContact O-CB 3.49Å; Q226-K230 PolarHBondContact O-N 3.13Å; H227-K230 PolarHBondContact O-N 3.3Å; L228-K230 VanDerWaalsContact C-N 3.29Å; L228-K230 PolarHBondContact O-N 3.49Å; K230-L233 PolarHBondContact O-N 3.17Å; K230-T234 WeakPolarHBondContact O-CB 3.43Å; K230-T234 WeakPolarHBondContact O-CG2 3.49Å; K230-T234 PolarHBondContact O-N 2.82Å; K230-T234 PolarHBondContact O-OG1 3.43Å
231H67.4Low54.9Low11 Ų1196 Ų965%0.05149%0.492CS..Hα-helixtrans-61.2-43.4175.8165.696.2000112.1C213 C218 E220 F222 H227 L228 L233 T234 N235 H236C213-H231 PolarHBondContact SG-NE2 3.34Å; C218-H231 PolarHBondContact SG-NE2 3.49Å; C218-H231 VanDerWaalsContact SG-NE2 3.43Å; E220-H231 IonicContact OE2-CE1 3.85Å; E220-H231 PolarHBondContact OE2-CE1 2.93Å; E220-H231 IonicContact OE2-CG 3.94Å; E220-H231 IonicContact OE2-ND1 2.7Å; E220-H231 PolarHBondContact OE2-ND1 3.07Å; F222-H231 HydrophobicContact CE1-CB 3.86Å; F222-H231 HydrophobicContact CE2-CB 3.7Å; F222-H231 AromaticContact CE2-CD2 3.61Å; F222-H231 AromaticContact CE2-CG 3.49Å; F222-H231 VanDerWaalsContact CE2-CG 3.49Å; F222-H231 AromaticContact CE2-ND1 3.91Å; F222-H231 HydrophobicContact CZ-CB 3.29Å; F222-H231 AromaticContact CZ-CD2 3.84Å; F222-H231 AromaticContact CZ-CG 3.22Å; F222-H231 AromaticContact CZ-ND1 3.37Å; F222-H231 WeakPolarHBondContact CZ-ND1 3.09Å; H227-H231 WeakPolarHBondContact O-CB 3.36Å; H227-H231 PolarHBondContact O-N 3.01Å; L228-H231 PolarHBondContact O-N 3.35Å; H231-L233 PolarHBondContact O-N 2.94Å; H231-T234 PolarHBondContact O-N 2.9Å; H231-T234 PolarHBondContact O-OG1 2.72Å; H231-N235 PolarHBondContact ND1-ND2 3.22Å; H231-N235 VanDerWaalsContact ND1-ND2 3.14Å; H231-N235 WeakPolarHBondContact O-CB 3.34Å; H231-N235 PolarHBondContact O-N 3.09Å; H231-H236 AromaticContact CD2-CD2 3.95Å; H231-H236 AromaticContact CE1-NE2 3.89Å; H231-H236 AromaticContact NE2-CD2 3.46Å; H231-H236 PolarHBondContact NE2-CD2 3.45Å; H231-H236 AromaticContact NE2-NE2 3.33Å; H231-H236 PolarHBondContact NE2-NE2 3.43Å
232L61.4Low54Low28 Ų2898 Ų9815%0.14750%0.503CS..Hα-helixtrans-64.3-41.5177.1-68.9170.8000112.3C213 P214 V215 L228 T234 H236 A237 L241C213-L232 VanDerWaalsContact SG-CD2 3.53Å; P214-L232 HydrophobicContact CG-CD2 4.44Å; V215-L232 HydrophobicContact CG2-CD2 4.38Å; L228-L232 HydrophobicContact CD1-CD1 3.89Å; L228-L232 HydrophobicContact CD1-CD2 4.34Å; L228-L232 HydrophobicContact CD1-CG 3.85Å; L228-L232 HydrophobicContact CD2-CD1 4.39Å; L228-L232 HydrophobicContact CG-CD1 3.81Å; L228-L232 HydrophobicContact CG-CG 4.22Å; L228-L232 VanDerWaalsContact O-CG 3.32Å; L228-L232 WeakPolarHBondContact O-CG 3.2Å; L228-L232 PolarHBondContact O-N 2.88Å; L232-T234 VanDerWaalsContact C-N 3.35Å; L232-H236 HydrophobicContact CD2-CB 4.44Å; L232-H236 CarbonylContact O-C 3.58Å; L232-H236 VanDerWaalsContact O-C 3.25Å; L232-H236 WeakPolarHBondContact O-CA 3.34Å; L232-H236 PolarHBondContact O-N 3.24Å; L232-A237 PolarHBondContact O-N 3.21Å; L232-L241 HydrophobicContact CD1-CD2 4.46Å
233L63.3Low52.6Low137 Ų137101.7 Ų101.772%0.71753%0.531SS*.Hα-helixtrans-67.9-33.6177.9-108.873.9000113.2S229 K230 H231S229-L233 WeakPolarHBondContact O-CB 3.29Å; S229-L233 PolarHBondContact O-N 3.2Å; S229-L233 VanDerWaalsContact O-N 3.07Å; K230-L233 PolarHBondContact O-N 3.17Å; H231-L233 PolarHBondContact O-N 2.94Å
234T61.7Low51.7Low90 Ų90105.6 Ų105.655%0.55255%0.553SS**Hα-helixtrans-89.6-36-174.846.30000112.7K230 H231 L232K230-T234 WeakPolarHBondContact O-CB 3.43Å; K230-T234 WeakPolarHBondContact O-CG2 3.49Å; K230-T234 PolarHBondContact O-N 2.82Å; K230-T234 PolarHBondContact O-OG1 3.43Å; H231-T234 PolarHBondContact O-N 2.9Å; H231-T234 PolarHBondContact O-OG1 2.72Å; L232-T234 VanDerWaalsContact C-N 3.35Å
235N58.9Low50.7Low99 Ų99112 Ų11253%0.52958%0.575SS.*Hα-helixtrans-109.4-16.8-171.9-61.4-40.1000114.1H231H231-N235 PolarHBondContact ND1-ND2 3.22Å; H231-N235 VanDerWaalsContact ND1-ND2 3.14Å; H231-N235 WeakPolarHBondContact O-CB 3.34Å; H231-N235 PolarHBondContact O-N 3.09Å
236H66.4Low49.9Very low53 Ų53116.2 Ų116.225%0.24559%0.591CS.*  trans-137.134-171.9-59.6-55.4000113.6C213 V215 C218 H231 L232 H238C213-H236 PolarHBondContact SG-CD2 3.21Å; V215-H236 HydrophobicContact CG2-CB 3.93Å; C218-H236 PolarHBondContact SG-NE2 3.47Å; C218-H236 VanDerWaalsContact SG-NE2 3.36Å; H231-H236 AromaticContact CD2-CD2 3.95Å; H231-H236 AromaticContact CE1-NE2 3.89Å; H231-H236 AromaticContact NE2-CD2 3.46Å; H231-H236 PolarHBondContact NE2-CD2 3.45Å; H231-H236 AromaticContact NE2-NE2 3.33Å; H231-H236 PolarHBondContact NE2-NE2 3.43Å; L232-H236 HydrophobicContact CD2-CB 4.44Å; L232-H236 CarbonylContact O-C 3.58Å; L232-H236 VanDerWaalsContact O-C 3.25Å; L232-H236 WeakPolarHBondContact O-CA 3.34Å; L232-H236 PolarHBondContact O-N 3.24Å; H236-H238 PolarHBondContact O-N 2.87Å
237A53Low49Very low70 Ų70114.5 Ų114.558%0.57960%0.595SS**THydrogen-bonded Turntrans-57.59.3-164.100000119L232L232-A237 PolarHBondContact O-N 3.21Å
238H49.8Very low48Very low180 Ų180119.2 Ų119.283%0.83361%0.614SS**THydrogen-bonded Turntrans-125.810.9-175.8-70.4-60.1000116.8H236H236-H238 PolarHBondContact O-N 2.87Å
239H46.3Very low46.6Very low175 Ų175127.8 Ų127.881%0.8165%0.651SS**  trans-120121.2174.3-90.1-78.6000113.6
240E36.1Very low45Very low191 Ų191129.9 Ų129.989%0.89367%0.671SS**PPolyproline II helixtrans-65.4139.1177-70.7-102.5105.400112.3
241L38.7Very low43.3Very low130 Ų130126.1 Ų126.168%0.68167%0.674SS**PPolyproline II helixtrans-70.6133.1179.8-75.5160.9000111.9L232L232-L241 HydrophobicContact CD1-CD2 4.46Å
242P35.5Very low41.3Very low106 Ų106132.1 Ų132.169%0.68871%0.712SS**PPolyproline II helixtrans-75.2151.3167.230-31.5000111.3
243P30.1Very low39.7Very low115 Ų115137.8 Ų137.875%0.74774%0.742SS**PPolyproline II helixtrans-71.6152.9-175.228.8-33.8000112.5K245P243-K245 PolarHBondContact O-N 2.85Å
244P30.8Very low37.9Very low121 Ų121138.6 Ų138.679%0.78674%0.742SS**PPolyproline II helixtrans-73.3122.4-171.128.2-33.2000112.6
245K32Very low36.1Very low208 Ų208139.7 Ų139.790%0.90475%0.749SS**PPolyproline II helixtrans-76123.1166.6-69-175.9-180178.50110.1P243 S247P243-K245 PolarHBondContact O-N 2.85Å; K245-S247 PolarHBondContact O-N 2.87Å
246R31.4Very low34.4Very low250 Ų250139.8 Ų139.894%0.94376%0.757SS**  trans-70.6111.8168.5-82.7-178.1173.1-169.7-1109.8
247S30.7Very low32.6Very low111 Ų111146.1 Ų146.178%0.77679%0.787SS**  trans-88.7118.9169.371.10000111K245K245-S247 PolarHBondContact O-N 2.87Å
248K33.2Very low31.4Very low211 Ų211151.6 Ų151.692%0.91780%0.8SS**  trans-66.4136.7160.6-66.8175.6179.1175.90108.4
249K30.7Very low31Very low197 Ų197148 Ų14886%0.85779%0.792SS**  trans-107.2117.3173.5-117.9-172.5-178-173.20110.1
250A26.6Very low29.9Very low96 Ų96147.2 Ų147.279%0.79379%0.794SS**  trans-157.7111.2144.600000103.1
251G25.1Very low29.3Very low69 Ų69142.1 Ų142.171%0.71178%0.784SS**  60.2101.671.700000107.2
252T26.6Very low28.6Very low137 Ų137144 Ų14484%0.8479%0.792SS**  -159.5157.269.1-36.10000112.4
253L26.2Very low28.1Very low148 Ų148146.8 Ų146.878%0.77580%0.799SS**  trans-44.8158.9171.4-57.4142.6000113.1
254Q25.7Very low27.9Very low154 Ų154144.8 Ų144.872%0.7280%0.799SS**  cis-173150.431.4-148.6164.4-27.100110.5
255T24.2Very low27.6Very low113 Ų113148 Ų14869%0.69380%0.803SS**  trans54107.8148.1460000121.1
256S24Very low27.9Very low100 Ų100142.7 Ų142.770%0.69979%0.79SS**  55.6124.198.484.80000114.3
257Q28Very low27.5Very low187 Ų187138.3 Ų138.387%0.87479%0.785SS**  cis-156.6170.149.2-69.217733.600111.4
258Q27.7Very low27.1Very low185 Ų185137 Ų13786%0.86478%0.775SS**  trans-78.1-164.7-171.7-58.3-176.9-4800114.9
259P40.9Very low26.6Very low103 Ų103133.3 Ų133.367%0.66977%0.765SS**  -131.1-168.5-86.940.6-20.4000113.9
260L24Very low26.3Very low159 Ų159130.3 Ų130.383%0.83275%0.754SS**  trans97.9110.5160.3-71.8133.8000120.5
261A24.1Very low26.2Very low85 Ų85132.6 Ų132.670%0.70275%0.748SS**  59132.8125.300000123.3
262M23Very low26.1Very low169 Ų169134.1 Ų134.183%0.83374%0.744SS**  trans97.3127.2136.3-86.8-68.1169.300121.1
263I26.2Very low26Very low165 Ų165134.1 Ų134.185%0.84674%0.744SS**  trans89127.5151.7-47.4141.4000119.1
264G24.9Very low26Very low72 Ų72130.4 Ų130.474%0.74274%0.742SS**  trans115.799.3141.300000118.5
265Q24.7Very low26Very low188 Ų188131.8 Ų131.888%0.87975%0.748SS**  trans-72.1179.7142.3-72.8-170-18.100109.5
266P37.9Very low26Very low97 Ų97138 Ų13863%0.6376%0.759SS**  cis-138.5-164.3-2.228-2.2000113.6
267L23.6Very low26.1Very low158 Ų158136.9 Ų136.983%0.82776%0.762SS**  trans80.7147.2153.9-64.3160.5000116.7
268S22.1Very low25.9Very low83 Ų83139.6 Ų139.658%0.5877%0.765SS**  cis173.5157.7-22-141.20000104.8
269L22.9Very low26.3Very low134 Ų134135.3 Ų135.370%0.70275%0.753SS**  trans71.6143.5157.5-53.8143.8000114.8
270Q23.7Very low26.3Very low134 Ų134135 Ų13563%0.62675%0.751SS**  cis-176.6156.84.5-118.2173.2-10.400108.1
271H24.3Very low26.5Very low145 Ų145137.2 Ų137.267%0.67175%0.754SS**  trans61.5146.4142.4-67.5-52.3000118.9
272T23.4Very low26.6Very low100 Ų100139.8 Ų139.861%0.61376%0.756SS**  cis-173.3150.8-3.623.40000109.3
273T25.1Very low26.9Very low138 Ų138139.9 Ų139.985%0.84775%0.752SS**  trans74.1141.5137.158.30000123.1
274G25.6Very low27Very low70 Ų70139.1 Ų139.172%0.72275%0.749SS**  trans128.455.4154.100000114.3
275Q24.8Very low27.3Very low183 Ų183145.7 Ų145.786%0.85576%0.757SS**  39.2116100.7-74.8-159.524.500117.5
276R25.8Very low27.3Very low244 Ų244141 Ų14192%0.92175%0.751SS**  173.5116.5110.7-92.8-179-103.3-159-3107.2
277G24.4Very low26.9Very low75 Ų75143 Ų14377%0.77376%0.762SS**  108.1817700000108.1
278R24.1Very low27.2Very low245 Ų245141.4 Ų141.493%0.92576%0.758SS**  72160.481.2-117.1-145.6-178.3-161.65.2113.7
279P36.5Very low27.6Very low95 Ų95145.5 Ų145.562%0.61777%0.773SS**  -131.9-123.4-11241.8-19.1000109.8
280P42Very low27.9Very low97 Ų97143.8 Ų143.863%0.6378%0.778SS**  -127-168.2-51.639.1-21.3000111.9
281K26.4Very low28.2Very low204 Ų204141.9 Ų141.989%0.88779%0.785SS**  trans18094.2134.4-95.7167.7-169.5-175.90106.7
282N27Very low28.8Very low139 Ų139142.5 Ų142.574%0.74380%0.799SS**  45.7115.272.7-146.510.7000113.6
283K30.2Very low29.7Very low172 Ų172141.2 Ų141.275%0.74880%0.799SS**  176.314399.1-90.2178.6-168-173.20106.6
284N28.1Very low30.5Very low148 Ų148142.6 Ų142.679%0.79180%0.799SS**  cis-156.2150.231.3-83.8-39.3000111.5
285K30.1Very low30.9Very low211 Ų211149.3 Ų149.392%0.91781%0.808SS**  trans-90.8131158.4-81.7177.5172.9179.60109.3
286A25.9Very low31.8Very low90 Ų90148.4 Ų148.474%0.74481%0.808SS**  trans179.1122.1152.600000103
287T28.5Very low32.5Very low139 Ų139145.3 Ų145.385%0.85380%0.804SS**  cis-164.1133.548.1-30000107.9
288T29.3Very low33.1Very low124 Ų124148.3 Ų148.376%0.76180%0.801SS**  trans-69.6156.2159.4-41.30000108.7
289L31.1Very low33.5Very low168 Ų168143.4 Ų143.488%0.8879%0.793SS**  trans84.777.3165.8-62.2147.7000117.4
290A30Very low33.4Very low99 Ų99147.5 Ų147.582%0.81880%0.804SS**SBendtrans-168.9140133.300000108.9
291A28.9Very low33.2Very low93 Ų93147.1 Ų147.177%0.76980%0.803SS**  trans88.329.4176.200000118.2A293A291-A293 PolarHBondContact O-N 3.44Å
292T38.4Very low33.6Very low158 Ų158144 Ų14497%0.96980%0.796SS**  trans-82.864.9143.3-42.60000108.9
293A41.4Very low34.1Very low73 Ų73145.6 Ų145.660%0.60380%0.799SS**  trans-156.7132.4167.100000106.2A291A291-A293 PolarHBondContact O-N 3.44Å
294I41.4Very low34.5Very low167 Ų167142.6 Ų142.686%0.85680%0.799SS**SBendtrans82.266-170.5-41164.7000113.9
295K34.8Very low35Very low211 Ų211143.9 Ų143.992%0.91780%0.8SS**SBendtrans-16328.1143.1-109.5167.9-170.5-178.60113.7
296I43Very low35.3Very low165 Ų165142.6 Ų142.685%0.84680%0.797SS**SBendtrans-11991.6159.9-60.4174.1000103.4
297E40.4Very low36.3Very low178 Ų178146 Ų14683%0.83280%0.801SS**SBendtrans171.86.7161.6-103.4177.9-168.200115.1
298I36.4Very low36.6Very low139 Ų139144.9 Ų144.971%0.71380%0.799SS**SBendtrans-120.724.3174.5-42.5-178.6000112.1
299N32.6Very low37.3Very low142 Ų142146.9 Ų146.976%0.75981%0.805SS**SBendtrans-124.44.8173.7-130.116000115.2
300E35Very low38.1Very low180 Ų180143.7 Ų143.784%0.84179%0.793SS**SBendtrans-112.41.4169.8-71.7-173.4154.400113.6
301S38.2Very low39.1Very low89 Ų89144.3 Ų144.362%0.62279%0.791SS**SBendtrans-94.3-21.5175.8-168.10000113.9
302L35.5Very low39.9Very low140 Ų140142.7 Ų142.773%0.73378%0.783SS**SBendtrans-97.8-6.1-177.5-77.2165.5000114.6
303H37.3Very low40.2Very low172 Ų172141.7 Ų141.780%0.79677%0.771SS**SBendtrans-100.1-4.5-180-115.479.4000115
304S37.6Very low41Very low108 Ų108140.7 Ų140.776%0.75576%0.76SS**SBendtrans-110.79.7-179.1-72.90000115.6
305Q39Very low41.8Very low175 Ų175137.6 Ų137.682%0.81874%0.744SS**SBendtrans-111.212.3177-73.7-159.2-15.800115.6
306H36.5Very low43.2Very low184 Ų184132.4 Ų132.485%0.85272%0.723SS**SBendtrans-127.926.5-178.7-111.2-50.7000116.4
307I45.9Very low44.4Very low162 Ų162130.4 Ų130.483%0.83171%0.71SS**SBendtrans-132.578.4161.9-52.1-179.8000108.4
308S35.9Very low45.7Very low116 Ų116127.6 Ų127.681%0.81170%0.697SS**SBendtrans-166.1118.9160.5-76.20000110.3V310S308-V310 PolarHBondContact O-N 3.17Å; S308-V310 VanDerWaalsContact O-N 3.09Å
309N44.3Very low47.3Very low166 Ų166124.7 Ų124.789%0.88868%0.682SS**  trans-44.894177.4-69.4-35.5000116.4
310V46.4Very low49.3Very low101 Ų101121 Ų12161%0.61266%0.662SS**  trans-15577.4158.7-165.90000111.6S308S308-V310 PolarHBondContact O-N 3.17Å; S308-V310 VanDerWaalsContact O-N 3.09Å
311S51.2Low51.1Low111 Ų111117.4 Ų117.478%0.77665%0.646SS**  trans-118.213.7-170-45.90000116.7
312G45.8Very low52.9Low60 Ų60118.1 Ų118.162%0.61964%0.639SS**SBendtrans-112.5-36.6173.900000114.4
313L46.5Very low55.2Low136 Ų136116.3 Ų116.371%0.71263%0.628SS**Hα-helixtrans-88.1-26.2-170.5-72.1158.6000113.6Q317L313-Q317 PolarHBondContact O-N 2.94Å
314S58.2Low57.5Low53 Ų53114.6 Ų114.637%0.37162%0.62SS.*Hα-helixtrans-75-40.7-175.6179.50000113.7Q317 Q318S314-Q317 WeakPolarHBondContact O-CB 3.5Å; S314-Q317 PolarHBondContact O-N 3.42Å; S314-Q318 WeakPolarHBondContact O-CG 3.34Å; S314-Q318 PolarHBondContact O-N 3.31Å
315I57.8Low59.6Low102 Ų102114.9 Ų114.952%0.52361%0.61SS.*Hα-helixtrans-69.4-39.9-179.1-62.8173.8000111Q317 Q318 I319I315-Q317 VanDerWaalsContact C-N 3.3Å; I315-Q317 PolarHBondContact O-N 2.99Å; I315-Q318 PolarHBondContact O-N 3.3Å; I315-I319 HydrophobicContact CG2-CD1 4.02Å; I315-I319 WeakPolarHBondContact O-CG1 3.38Å; I315-I319 PolarHBondContact O-N 2.97Å
316Q63.4Low61.9Low102 Ų102111.5 Ų111.548%0.47759%0.594SS.*Hα-helixtrans-65.1-36.8175.9-169.562.747.700111.5I319 N320Q316-I319 PolarHBondContact O-N 3.37Å; Q316-N320 PolarHBondContact NE2-OD1 3.28Å; Q316-N320 VanDerWaalsContact NE2-OD1 3.17Å; Q316-N320 WeakPolarHBondContact O-CB 2.76Å; Q316-N320 PolarHBondContact O-N 3.24Å; Q316-N320 PolarHBondContact O-ND2 2.95Å; Q316-N320 PolarHBondContact O-OD1 3.45Å
317Q69.3Low64.3Low123 Ų123105 Ų10558%0.57557%0.572SS**Hα-helixtrans-64.6-40.5173.7-121.2169.7-12.500112L313 S314 I315 N320 Q321L313-Q317 PolarHBondContact O-N 2.94Å; S314-Q317 WeakPolarHBondContact O-CB 3.5Å; S314-Q317 PolarHBondContact O-N 3.42Å; I315-Q317 VanDerWaalsContact C-N 3.3Å; I315-Q317 PolarHBondContact O-N 2.99Å; Q317-N320 PolarHBondContact O-N 3.47Å; Q317-Q321 WeakPolarHBondContact O-CB 3.4Å; Q317-Q321 WeakPolarHBondContact O-CG 3.46Å; Q317-Q321 PolarHBondContact O-N 3.49Å
318Q65.9Low66.4Low118 Ų118100 Ų10055%0.55156%0.555SS**Hα-helixtrans-65.9-40.3175.8-72.4174.7-14.400112.3S314 I315 Q321 H322S314-Q318 WeakPolarHBondContact O-CG 3.34Å; S314-Q318 PolarHBondContact O-N 3.31Å; I315-Q318 PolarHBondContact O-N 3.3Å; Q318-Q321 PolarHBondContact O-N 3.47Å; Q318-H322 WeakPolarHBondContact O-CB 3.31Å; Q318-H322 PolarHBondContact O-N 3.4Å
319I70.5Confident69Low79 Ų79100.3 Ų100.341%0.40554%0.544SS..Hα-helixtrans-63.9-44.8174.8-68167000110.4I315 Q316 Q321 H322 M323I315-I319 HydrophobicContact CG2-CD1 4.02Å; I315-I319 WeakPolarHBondContact O-CG1 3.38Å; I315-I319 PolarHBondContact O-N 2.97Å; Q316-I319 PolarHBondContact O-N 3.37Å; I319-Q321 PolarHBondContact O-N 2.91Å; I319-H322 PolarHBondContact O-N 2.95Å; I319-M323 HydrophobicContact CG2-CE 4.15Å; I319-M323 HydrophobicContact CG2-SD 4.47Å; I319-M323 WeakPolarHBondContact O-CG 3.39Å; I319-M323 PolarHBondContact O-N 3.39Å
320N75.3Confident71.1Confident64 Ų6498 Ų9834%0.34253%0.528SS..Hα-helixtrans-64.5-41.4179.2-69.3-7.2000111.9Q316 Q317 M323 Q324Q316-N320 PolarHBondContact NE2-OD1 3.28Å; Q316-N320 VanDerWaalsContact NE2-OD1 3.17Å; Q316-N320 WeakPolarHBondContact O-CB 2.76Å; Q316-N320 PolarHBondContact O-N 3.24Å; Q316-N320 PolarHBondContact O-ND2 2.95Å; Q316-N320 PolarHBondContact O-OD1 3.45Å; Q317-N320 PolarHBondContact O-N 3.47Å; N320-M323 PolarHBondContact O-N 3.38Å; N320-M323 WeakPolarHBondContact OD1-CE 3.45Å; N320-Q324 WeakPolarHBondContact O-CB 3.45Å; N320-Q324 VanDerWaalsContact O-CG 3.31Å; N320-Q324 WeakPolarHBondContact O-CG 3.42Å; N320-Q324 PolarHBondContact O-N 2.97Å
321Q73.4Confident73.3Confident105 Ų10599.1 Ų99.149%0.49153%0.526SS..Hα-helixtrans-63.9-41174.2-76.4177.5100111.8Q317 Q318 I319 Q324 Q325Q317-Q321 WeakPolarHBondContact O-CB 3.4Å; Q317-Q321 WeakPolarHBondContact O-CG 3.46Å; Q317-Q321 PolarHBondContact O-N 3.49Å; Q318-Q321 PolarHBondContact O-N 3.47Å; I319-Q321 PolarHBondContact O-N 2.91Å; Q321-Q324 PolarHBondContact O-N 2.93Å; Q321-Q325 WeakPolarHBondContact O-CB 3.45Å; Q321-Q325 VanDerWaalsContact O-CG 3.28Å; Q321-Q325 WeakPolarHBondContact O-CG 3.36Å; Q321-Q325 PolarHBondContact O-N 2.95Å
322H76.1Confident75.2Confident103 Ų10396.5 Ų96.548%0.47751%0.511SS..Hα-helixtrans-64.9-41.7176.9-16963.5000112.1Q318 I319 Q325 Q326Q318-H322 WeakPolarHBondContact O-CB 3.31Å; Q318-H322 PolarHBondContact O-N 3.4Å; I319-H322 PolarHBondContact O-N 2.95Å; H322-Q325 PolarHBondContact O-N 3.38Å; H322-Q326 PolarHBondContact CD2-NE2 3.36Å; H322-Q326 PolarHBondContact NE2-NE2 3.34Å; H322-Q326 WeakPolarHBondContact O-CG 3.45Å; H322-Q326 PolarHBondContact O-N 2.91Å
323M82.8Confident77.4Confident102 Ų102100.1 Ų100.150%0.50251%0.512SS..Hα-helixtrans-63.6-40.6174.8-71.2-167.9-59.300112.1I319 N320 Q326 A327I319-M323 HydrophobicContact CG2-CE 4.15Å; I319-M323 HydrophobicContact CG2-SD 4.47Å; I319-M323 WeakPolarHBondContact O-CG 3.39Å; I319-M323 PolarHBondContact O-N 3.39Å; N320-M323 PolarHBondContact O-N 3.38Å; N320-M323 WeakPolarHBondContact OD1-CE 3.45Å; M323-Q326 PolarHBondContact O-N 3.26Å; M323-A327 WeakPolarHBondContact O-CB 3.49Å; M323-A327 PolarHBondContact O-N 3.35Å
324Q85.4Confident79.5Confident136 Ų13698.8 Ų98.864%0.63650%0.502SS*.Hα-helixtrans-64.9-40.7175.9-75174.3-400112.2N320 Q321 A327 A328N320-Q324 WeakPolarHBondContact O-CB 3.45Å; N320-Q324 VanDerWaalsContact O-CG 3.31Å; N320-Q324 WeakPolarHBondContact O-CG 3.42Å; N320-Q324 PolarHBondContact O-N 2.97Å; Q321-Q324 PolarHBondContact O-N 2.93Å; Q324-A327 PolarHBondContact O-N 3.04Å; Q324-A328 WeakPolarHBondContact O-CB 3.34Å; Q324-A328 PolarHBondContact O-N 3.4Å
325Q82.5Confident81.2Confident115 Ų115101.8 Ų101.854%0.53751%0.51SS..Hα-helixtrans-65.1-40.6175.8-72.9172.26.200112Q321 H322 A328 Q329Q321-Q325 WeakPolarHBondContact O-CB 3.45Å; Q321-Q325 VanDerWaalsContact O-CG 3.28Å; Q321-Q325 WeakPolarHBondContact O-CG 3.36Å; Q321-Q325 PolarHBondContact O-N 2.95Å; H322-Q325 PolarHBondContact O-N 3.38Å; Q325-A328 PolarHBondContact O-N 2.97Å; Q325-Q329 WeakPolarHBondContact O-CB 3.31Å; Q325-Q329 WeakPolarHBondContact O-CG 3.28Å; Q325-Q329 PolarHBondContact O-N 2.95Å
326Q86.3Confident82.8Confident104 Ų10499.1 Ų99.149%0.48650%0.503SS..Hα-helixtrans-65-41.3174.7-74.1-173.80.800112H322 M323 Q329 Q330H322-Q326 PolarHBondContact CD2-NE2 3.36Å; H322-Q326 PolarHBondContact NE2-NE2 3.34Å; H322-Q326 WeakPolarHBondContact O-CG 3.45Å; H322-Q326 PolarHBondContact O-N 2.91Å; M323-Q326 PolarHBondContact O-N 3.26Å; Q326-Q329 PolarHBondContact O-N 3.48Å; Q326-Q330 WeakPolarHBondContact O-CB 3.49Å; Q326-Q330 PolarHBondContact O-N 3.46Å
327A87.8Confident84.1Confident48 Ų4896.4 Ų96.440%0.39750%0.498SS..Hα-helixtrans-63.4-42.9176.500000112M323 Q324 Q330 Q331M323-A327 WeakPolarHBondContact O-CB 3.49Å; M323-A327 PolarHBondContact O-N 3.35Å; Q324-A327 PolarHBondContact O-N 3.04Å; A327-Q330 PolarHBondContact O-N 3.03Å; A327-Q331 WeakPolarHBondContact O-CG 3.43Å; A327-Q331 PolarHBondContact O-N 2.95Å
328A88.9Confident85.3Confident57 Ų5795.9 Ų95.947%0.47150%0.496SS..Hα-helixtrans-64.1-41.5176.200000112.1Q324 Q325 Q330 Q331 A332Q324-A328 WeakPolarHBondContact O-CB 3.34Å; Q324-A328 PolarHBondContact O-N 3.4Å; Q325-A328 PolarHBondContact O-N 2.97Å; A328-Q330 VanDerWaalsContact C-N 3.33Å; A328-Q330 PolarHBondContact O-N 3.44Å; A328-Q331 PolarHBondContact O-N 2.95Å; A328-A332 WeakPolarHBondContact O-CB 3.49Å; A328-A332 PolarHBondContact O-N 3.28Å
329Q90.4Very high86.6Confident122 Ų12295.8 Ų95.857%0.5750%0.495SS*.Hα-helixtrans-63.1-40174.7-76.4178.72.400111.9Q325 Q326 A332 Q333Q325-Q329 WeakPolarHBondContact O-CB 3.31Å; Q325-Q329 WeakPolarHBondContact O-CG 3.28Å; Q325-Q329 PolarHBondContact O-N 2.95Å; Q326-Q329 PolarHBondContact O-N 3.48Å; Q329-A332 PolarHBondContact O-N 3.37Å; Q329-Q333 VanDerWaalsContact O-CG 3.31Å; Q329-Q333 WeakPolarHBondContact O-CG 3.47Å; Q329-Q333 PolarHBondContact O-N 2.98Å
330Q89.4Confident87.7Confident118 Ų11898.5 Ų98.555%0.55151%0.506SS*.Hα-helixtrans-67.8-39.7178.3-164.1173.422.900111.9Q326 A327 A328 Q333 Q334Q326-Q330 WeakPolarHBondContact O-CB 3.49Å; Q326-Q330 PolarHBondContact O-N 3.46Å; A327-Q330 PolarHBondContact O-N 3.03Å; A328-Q330 VanDerWaalsContact C-N 3.33Å; A328-Q330 PolarHBondContact O-N 3.44Å; Q330-Q333 PolarHBondContact O-N 2.93Å; Q330-Q334 WeakPolarHBondContact O-CG 3.35Å; Q330-Q334 PolarHBondContact O-N 3.39Å
331Q92.6Very high88.4Confident124 Ų124102.1 Ų102.158%0.57952%0.521SS*.Hα-helixtrans-64-43.5173.9-76.7-179.3-12.600112.1A327 A328 Q333 Q334 Q335A327-Q331 WeakPolarHBondContact O-CG 3.43Å; A327-Q331 PolarHBondContact O-N 2.95Å; A328-Q331 PolarHBondContact O-N 2.95Å; Q331-Q333 VanDerWaalsContact C-N 3.32Å; Q331-Q333 PolarHBondContact O-N 3.44Å; Q331-Q334 PolarHBondContact O-N 3.34Å; Q331-Q335 WeakPolarHBondContact O-CG 3.49Å; Q331-Q335 PolarHBondContact O-N 3.41Å
332A90.9Very high89.3Confident55 Ų55102.7 Ų102.746%0.45552%0.524SS..Hα-helixtrans-61.6-39.9176.600000112A328 Q329 Q335 A336A328-A332 WeakPolarHBondContact O-CB 3.49Å; A328-A332 PolarHBondContact O-N 3.28Å; Q329-A332 PolarHBondContact O-N 3.37Å; A332-Q335 PolarHBondContact O-N 3.01Å; A332-A336 WeakPolarHBondContact O-CB 3.43Å; A332-A336 PolarHBondContact O-N 3.46Å
333Q91Very high90.1Very high136 Ų136103 Ų10364%0.63653%0.525SS*.Hα-helixtrans-64.9-39.7175.2-73.6174.78.400112.4Q329 Q330 Q331 A337Q329-Q333 VanDerWaalsContact O-CG 3.31Å; Q329-Q333 WeakPolarHBondContact O-CG 3.47Å; Q329-Q333 PolarHBondContact O-N 2.98Å; Q330-Q333 PolarHBondContact O-N 2.93Å; Q331-Q333 VanDerWaalsContact C-N 3.32Å; Q331-Q333 PolarHBondContact O-N 3.44Å; Q333-A337 WeakPolarHBondContact O-CB 3.39Å; Q333-A337 PolarHBondContact O-N 2.97Å
334Q91.1Very high90.6Very high108 Ų108100.1 Ų100.151%0.50552%0.518SS..Hα-helixtrans-66-42.7176.2-72.8175.86.900111.9Q330 Q331 A337 Q338Q330-Q334 WeakPolarHBondContact O-CG 3.35Å; Q330-Q334 PolarHBondContact O-N 3.39Å; Q331-Q334 PolarHBondContact O-N 3.34Å; Q334-A337 PolarHBondContact O-N 3.2Å; Q334-Q338 WeakPolarHBondContact O-CG 3.38Å; Q334-Q338 PolarHBondContact O-N 3.29Å
335Q93.6Very high90.9Very high117 Ų11795.6 Ų95.655%0.54750%0.504SS..Hα-helixtrans-63.9-43176.4-71.7177.8-2.700111.7Q331 A332 A337 Q338 Q339Q331-Q335 WeakPolarHBondContact O-CG 3.49Å; Q331-Q335 PolarHBondContact O-N 3.41Å; A332-Q335 PolarHBondContact O-N 3.01Å; Q335-A337 VanDerWaalsContact C-N 3.34Å; Q335-A337 PolarHBondContact O-N 3.49Å; Q335-Q338 PolarHBondContact O-N 2.98Å; Q335-Q339 WeakPolarHBondContact O-CG 3.44Å; Q335-Q339 PolarHBondContact O-N 2.93Å
336A92.1Very high91.3Very high46 Ų4695.4 Ų95.438%0.3850%0.503SS..Hα-helixtrans-62.1-41.1175.900000112.1A332 Q339 Q340A332-A336 WeakPolarHBondContact O-CB 3.43Å; A332-A336 PolarHBondContact O-N 3.46Å; A336-Q339 PolarHBondContact O-N 3.39Å; A336-Q340 WeakPolarHBondContact O-CG 3.4Å; A336-Q340 PolarHBondContact O-N 3.46Å
337A91.4Very high91.6Very high44 Ų4496.6 Ų96.636%0.36451%0.509SS..Hα-helixtrans-64.8-40.7176.100000112.3Q333 Q334 Q335 Q340 Q341Q333-A337 WeakPolarHBondContact O-CB 3.39Å; Q333-A337 PolarHBondContact O-N 2.97Å; Q334-A337 PolarHBondContact O-N 3.2Å; Q335-A337 VanDerWaalsContact C-N 3.34Å; Q335-A337 PolarHBondContact O-N 3.49Å; A337-Q340 PolarHBondContact O-N 2.97Å; A337-Q341 WeakPolarHBondContact O-CG 3.33Å; A337-Q341 PolarHBondContact O-N 3.28Å
338Q92.9Very high91.7Very high113 Ų113101.2 Ų101.253%0.52852%0.522SS..Hα-helixtrans-63.7-42.5175.2-74.3177.2200111.9Q334 Q335 Q340 Q341 Q342Q334-Q338 WeakPolarHBondContact O-CG 3.38Å; Q334-Q338 PolarHBondContact O-N 3.29Å; Q335-Q338 PolarHBondContact O-N 2.98Å; Q338-Q340 PolarHBondContact O-N 3.38Å; Q338-Q341 PolarHBondContact O-N 3.03Å; Q338-Q342 WeakPolarHBondContact O-CG 3.4Å; Q338-Q342 PolarHBondContact O-N 3.3Å
339Q93.6Very high91.7Very high115 Ų115104.5 Ų104.554%0.53753%0.527SS..Hα-helixtrans-62.5-42.1175.8-73.81805.700111.9Q335 A336 Q341 Q342 Q343Q335-Q339 WeakPolarHBondContact O-CG 3.44Å; Q335-Q339 PolarHBondContact O-N 2.93Å; A336-Q339 PolarHBondContact O-N 3.39Å; Q339-Q341 VanDerWaalsContact C-N 3.34Å; Q339-Q341 PolarHBondContact O-N 2.96Å; Q339-Q342 PolarHBondContact O-N 2.96Å; Q339-Q343 WeakPolarHBondContact O-CG 3.39Å; Q339-Q343 PolarHBondContact O-N 2.97Å
340Q93.1Very high91.7Very high137 Ų137103.9 Ų103.964%0.6453%0.525SS*.Hα-helixtrans-62.6-40.1175.8-74.7179.42.400112.3A336 A337 Q338 Q343 A344A336-Q340 WeakPolarHBondContact O-CG 3.4Å; A336-Q340 PolarHBondContact O-N 3.46Å; A337-Q340 PolarHBondContact O-N 2.97Å; Q338-Q340 PolarHBondContact O-N 3.38Å; Q340-Q343 PolarHBondContact O-N 2.93Å; Q340-A344 WeakPolarHBondContact O-CB 3.41Å; Q340-A344 PolarHBondContact O-N 3.43Å
341Q91.9Very high91.5Very high139 Ų139100.3 Ų100.365%0.6552%0.515SS*.Hα-helixtrans-65.2-41.6175.7-73.3177.90.100112.1A337 Q338 Q339 A344 A345A337-Q341 WeakPolarHBondContact O-CG 3.33Å; A337-Q341 PolarHBondContact O-N 3.28Å; Q338-Q341 PolarHBondContact O-N 3.03Å; Q339-Q341 VanDerWaalsContact C-N 3.34Å; Q339-Q341 PolarHBondContact O-N 2.96Å; Q341-A344 PolarHBondContact O-N 3.01Å; Q341-A345 WeakPolarHBondContact O-CB 3.35Å; Q341-A345 PolarHBondContact O-N 3.39Å
342Q92.3Very high91.1Very high118 Ų11896.5 Ų96.555%0.55151%0.505SS*.Hα-helixtrans-63.8-42.8175.9-71.9176.47.300111.7Q338 Q339 A345 Q346Q338-Q342 WeakPolarHBondContact O-CG 3.4Å; Q338-Q342 PolarHBondContact O-N 3.3Å; Q339-Q342 PolarHBondContact O-N 2.96Å; Q342-A345 PolarHBondContact O-N 3.29Å; Q342-Q346 WeakPolarHBondContact O-CG 3.41Å; Q342-Q346 PolarHBondContact O-N 3.41Å
343Q93Very high90.8Very high108 Ų10899.5 Ų99.551%0.50551%0.509SS..Hα-helixtrans-63.4-43.4175.9-73175.72.400111.8Q339 Q340 A345 Q346 Q347Q339-Q343 WeakPolarHBondContact O-CG 3.39Å; Q339-Q343 PolarHBondContact O-N 2.97Å; Q340-Q343 PolarHBondContact O-N 2.93Å; Q343-A345 VanDerWaalsContact C-N 3.35Å; Q343-A345 PolarHBondContact O-N 2.93Å; Q343-Q346 PolarHBondContact O-N 3.33Å; Q343-Q347 WeakPolarHBondContact O-CG 3.33Å; Q343-Q347 PolarHBondContact O-N 3.47Å
344A92.2Very high90.3Very high42 Ų4299 Ų9935%0.34751%0.507SS..Hα-helixtrans-62.9-41.2176.300000111.9Q340 Q341 Q347 Q348Q340-A344 WeakPolarHBondContact O-CB 3.41Å; Q340-A344 PolarHBondContact O-N 3.43Å; Q341-A344 PolarHBondContact O-N 3.01Å; A344-Q347 PolarHBondContact O-N 2.97Å; A344-Q348 WeakPolarHBondContact O-CG 3.34Å; A344-Q348 PolarHBondContact O-N 2.94Å
345A91.3Very high89.7Confident42 Ų4299.8 Ų99.835%0.34751%0.511SS..Hα-helixtrans-64.3-41.717600000112Q341 Q342 Q343 Q348 Q349Q341-A345 WeakPolarHBondContact O-CB 3.35Å; Q341-A345 PolarHBondContact O-N 3.39Å; Q342-A345 PolarHBondContact O-N 3.29Å; Q343-A345 VanDerWaalsContact C-N 3.35Å; Q343-A345 PolarHBondContact O-N 2.93Å; A345-Q348 PolarHBondContact O-N 3.32Å; A345-Q349 WeakPolarHBondContact O-CG 3.39Å; A345-Q349 PolarHBondContact O-N 3.35Å
346Q92.4Very high88.7Confident110 Ų110101 Ų10151%0.51452%0.516SS..Hα-helixtrans-62.8-42.7174.7-73.8175.17.500111.8Q342 Q343 Q348 Q349 Q350Q342-Q346 WeakPolarHBondContact O-CG 3.41Å; Q342-Q346 PolarHBondContact O-N 3.41Å; Q343-Q346 PolarHBondContact O-N 3.33Å; Q346-Q348 VanDerWaalsContact C-N 3.34Å; Q346-Q348 PolarHBondContact O-N 3.35Å; Q346-Q349 PolarHBondContact O-N 2.93Å; Q346-Q350 WeakPolarHBondContact O-CB 3.4Å; Q346-Q350 WeakPolarHBondContact O-CG 3.4Å; Q346-Q350 PolarHBondContact O-N 3.49Å
347Q91.3Very high87.6Confident130 Ų130104.9 Ų104.961%0.60753%0.53SS*.Hα-helixtrans-62.9-40176-73.2175.61300112Q343 A344 Q350 A351Q343-Q347 WeakPolarHBondContact O-CG 3.33Å; Q343-Q347 PolarHBondContact O-N 3.47Å; A344-Q347 PolarHBondContact O-N 2.97Å; Q347-Q350 PolarHBondContact O-N 2.89Å; Q347-A351 WeakPolarHBondContact O-CB 3.34Å; Q347-A351 PolarHBondContact O-N 3.43Å
348Q89.9Confident86.2Confident145 Ų145109.8 Ų109.868%0.67855%0.549SS*.Hα-helixtrans-65-41.4175.3-73.6176.73.100112.2A344 A345 Q346 A351 A352A344-Q348 WeakPolarHBondContact O-CG 3.34Å; A344-Q348 PolarHBondContact O-N 2.94Å; A345-Q348 PolarHBondContact O-N 3.32Å; Q346-Q348 VanDerWaalsContact C-N 3.34Å; Q346-Q348 PolarHBondContact O-N 3.35Å; Q348-A351 PolarHBondContact O-N 3.48Å; Q348-A352 WeakPolarHBondContact O-CB 3.39Å; Q348-A352 PolarHBondContact O-N 2.93Å
349Q89.9Confident84.7Confident125 Ų125111.8 Ų111.858%0.58456%0.558SS**Hα-helixtrans-64.3-42.8175.4-73.1177.62.400111.9A345 Q346 A352 Q353A345-Q349 WeakPolarHBondContact O-CG 3.39Å; A345-Q349 PolarHBondContact O-N 3.35Å; Q346-Q349 PolarHBondContact O-N 2.93Å; Q349-A352 PolarHBondContact O-N 3.35Å; Q349-Q353 WeakPolarHBondContact O-CG 3.34Å; Q349-Q353 PolarHBondContact O-N 3.02Å
350Q89.4Confident82.8Confident110 Ų110112.2 Ų112.251%0.51456%0.564SS.*Hα-helixtrans-63.8-42.1175.6-72.6175.63.600111.8Q346 Q347 Q353 Q354Q346-Q350 WeakPolarHBondContact O-CB 3.4Å; Q346-Q350 WeakPolarHBondContact O-CG 3.4Å; Q346-Q350 PolarHBondContact O-N 3.49Å; Q347-Q350 PolarHBondContact O-N 2.89Å; Q350-Q353 PolarHBondContact O-N 2.84Å; Q350-Q354 WeakPolarHBondContact O-CG 3.37Å; Q350-Q354 PolarHBondContact O-N 2.91Å
351A86.1Confident80.9Confident43 Ų43111.4 Ų111.436%0.35557%0.57SS.*Hα-helixtrans-63.2-41.1175.800000111.9Q347 Q348 Q354 Q355Q347-A351 WeakPolarHBondContact O-CB 3.34Å; Q347-A351 PolarHBondContact O-N 3.43Å; Q348-A351 PolarHBondContact O-N 3.48Å; A351-Q354 PolarHBondContact O-N 2.95Å; A351-Q355 WeakPolarHBondContact O-CG 3.48Å; A351-Q355 PolarHBondContact O-N 3.29Å
352A83.2Confident78.9Confident43 Ų43113.7 Ų113.736%0.35558%0.583SS.*Hα-helixtrans-65-40.9175.900000112.3Q348 Q349 Q355 Q356Q348-A352 WeakPolarHBondContact O-CB 3.39Å; Q348-A352 PolarHBondContact O-N 2.93Å; Q349-A352 PolarHBondContact O-N 3.35Å; A352-Q355 PolarHBondContact O-N 3.37Å; A352-Q356 WeakPolarHBondContact O-CG 3.39Å; A352-Q356 PolarHBondContact O-N 3.39Å
353Q85Confident76.7Confident118 Ų118111.7 Ų111.755%0.55159%0.594SS**Hα-helixtrans-64.5-41.3174.6-73.9177.312.900112.1Q349 Q350 Q356 L357Q349-Q353 WeakPolarHBondContact O-CG 3.34Å; Q349-Q353 PolarHBondContact O-N 3.02Å; Q350-Q353 PolarHBondContact O-N 2.84Å; Q353-Q356 PolarHBondContact O-N 3.35Å; Q353-L357 WeakPolarHBondContact O-CG 3.33Å; Q353-L357 PolarHBondContact O-N 3.16Å
354Q81.3Confident74.5Confident125 Ų125115.6 Ų115.658%0.58461%0.613SS**Hα-helixtrans-63.7-39.9174.6-73.6179.533.900112.1Q350 A351 Q356 L357 L358Q350-Q354 WeakPolarHBondContact O-CG 3.37Å; Q350-Q354 PolarHBondContact O-N 2.91Å; A351-Q354 PolarHBondContact O-N 2.95Å; Q354-Q356 VanDerWaalsContact C-N 3.34Å; Q354-Q356 PolarHBondContact O-N 2.96Å; Q354-L357 PolarHBondContact O-N 3.32Å; Q354-L358 WeakPolarHBondContact O-CG 3.5Å; Q354-L358 PolarHBondContact O-N 3.05Å; Q354-L358 VanDerWaalsContact O-N 3.16Å
355Q77.8Confident72.4Confident126 Ų126118 Ų11859%0.58963%0.633SS**Hα-helixtrans-64.6-36.9175.1-74.6176.65.900112.4A351 A352 L358 H359A351-Q355 WeakPolarHBondContact O-CG 3.48Å; A351-Q355 PolarHBondContact O-N 3.29Å; A352-Q355 PolarHBondContact O-N 3.37Å; Q355-L358 PolarHBondContact O-N 3.35Å; Q355-H359 PolarHBondContact O-N 3.39Å; Q355-H359 PolarHBondContact O-ND1 2.94Å
356Q72.7Confident70.2Confident141 Ų141122.9 Ų122.966%0.65966%0.658SS**Hα-helixtrans-66.6-38.4174.6-73.9176300112.4A352 Q353 Q354 L358 H359A352-Q356 WeakPolarHBondContact O-CG 3.39Å; A352-Q356 PolarHBondContact O-N 3.39Å; Q353-Q356 PolarHBondContact O-N 3.35Å; Q354-Q356 VanDerWaalsContact C-N 3.34Å; Q354-Q356 PolarHBondContact O-N 2.96Å; Q356-L358 VanDerWaalsContact C-N 3.29Å; Q356-L358 PolarHBondContact O-N 3.19Å; Q356-H359 PolarHBondContact O-N 3.42Å
357L68.6Low68Low128 Ų128127 Ų12767%0.6767%0.674SS**Hα-helixtrans-65.4-30.8175.3-74.4163.3000113Q353 Q354 H359Q353-L357 WeakPolarHBondContact O-CG 3.33Å; Q353-L357 PolarHBondContact O-N 3.16Å; Q354-L357 PolarHBondContact O-N 3.32Å; L357-H359 VanDerWaalsContact C-N 3.31Å
358L62.6Low65.7Low147 Ų147125.1 Ų125.177%0.7768%0.681SS**THydrogen-bonded Turntrans-76.8-14.1175.4-69.2170.5000113.8Q354 Q355 Q356Q354-L358 WeakPolarHBondContact O-CG 3.5Å; Q354-L358 PolarHBondContact O-N 3.05Å; Q354-L358 VanDerWaalsContact O-N 3.16Å; Q355-L358 PolarHBondContact O-N 3.35Å; Q356-L358 VanDerWaalsContact C-N 3.29Å; Q356-L358 PolarHBondContact O-N 3.19Å
359H60.3Low63.4Low155 Ų155129.3 Ų129.372%0.71869%0.69SS**THydrogen-bonded Turntrans-106.216-178.6-73.772.2000113.5Q355 Q356 L357 P361Q355-H359 PolarHBondContact O-N 3.39Å; Q355-H359 PolarHBondContact O-ND1 2.94Å; Q356-H359 PolarHBondContact O-N 3.42Å; L357-H359 VanDerWaalsContact C-N 3.31Å; H359-P361 WeakPolarHBondContact O-CD 3.42Å
360L55.4Low61.1Low125 Ų125133 Ų13365%0.65471%0.705SS**PPolyproline II helixtrans-63.3121.6170.4-96.881.5000109.7M362L360-M362 PolarHBondContact O-N 3.4Å
361P51.8Low59.1Low119 Ų119134.3 Ų134.377%0.77371%0.714SS**PPolyproline II helixtrans-70.2122.6-178.326.7-31.2000110.4H359 G363H359-P361 WeakPolarHBondContact O-CD 3.42Å; P361-G363 PolarHBondContact O-N 3.3Å
362M51Low57.2Low188 Ų188138 Ų13893%0.92673%0.734SS**PPolyproline II helixtrans-54.7130.3162-76.8-90.5-92.300108.8L360L360-M362 PolarHBondContact O-N 3.4Å
363G46.3Very low55.5Low76 Ų76142 Ų14278%0.78475%0.754SS**PPolyproline II helixtrans-49.1144.1-16200000116.9P361P361-G363 PolarHBondContact O-N 3.3Å
364Q45.8Very low53.8Low189 Ų189150 Ų15088%0.88379%0.787SS**PPolyproline II helixtrans-66.2133.9170.3-69.21801.100111V366Q364-V366 PolarHBondContact O-N 3.37Å
365A47.8Very low52.4Low94 Ų94151.3 Ų151.378%0.77780%0.798SS**PPolyproline II helixtrans-56.5121.2168.400000111.1K367A365-K367 PolarHBondContact O-N 3.15Å; A365-K367 VanDerWaalsContact O-N 3.15Å
366V45.3Very low51Low144 Ų144152.6 Ų152.687%0.87381%0.809SS**  trans-70.7103.2171.7179.30000108.4Q364 A368Q364-V366 PolarHBondContact O-N 3.37Å; V366-A368 PolarHBondContact O-N 3.32Å
367K46.5Very low49.8Very low196 Ų196153.2 Ų153.285%0.85282%0.817SS**  trans-76.4110.7166.5-78.8-177.7177.2179.10109A365 R369A365-K367 PolarHBondContact O-N 3.15Å; A365-K367 VanDerWaalsContact O-N 3.15Å; K367-R369 PolarHBondContact O-N 3.39Å
368A43.7Very low48.7Very low91 Ų91154.7 Ų154.775%0.75283%0.826SS**  trans-59.8123.617000000110.4V366 F370V366-A368 PolarHBondContact O-N 3.32Å; A368-F370 PolarHBondContact O-N 3.49Å
369R41.9Very low47.9Very low232 Ų232155.2 Ų155.288%0.87583%0.829SS**  trans-80.8111.8167.1-78.6-178.3-175.6175.11.3108.5K367K367-R369 PolarHBondContact O-N 3.39Å
370F40.5Very low47Very low204 Ų204155.2 Ų155.290%0.89584%0.836SS**  trans-70.5120159.4-113.7-100.9000108.2A368A368-F370 PolarHBondContact O-N 3.49Å
371I47.2Very low46.4Very low137 Ų137157.4 Ų157.470%0.70385%0.849SS**  trans-105.9120.9167.8-58.5174.8000105.9T373I371-T373 HydrophobicContact CG2-CG2 4.41Å
372P46Very low46Very low120 Ų120160.3 Ų160.378%0.77986%0.855SS**  trans-88129.2172.732.3-26.9000109.7
373T47.7Very low45.6Very low126 Ų126158 Ų15877%0.77385%0.849SS**  trans-132.8112.1164.651.60000110.3I371I371-T373 HydrophobicContact CG2-CG2 4.41Å
374K48.7Very low45.6Very low287 Ų287165.5 Ų165.5100%1.24886%0.855SS**  trans47.30152-69.3-173.8176.9-178.30120.3

Retrieved 374 of 374 residues in 72 ms (Link to these results)

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