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F-box/LRR-repeat protein 14

Substrate-recognition component of some SCF (SKP1-CUL1-F-box protein)-type E3 ubiquitin-protein ligase complexes. The SCF(FBXL14) complex acts by mediating ubiquitination and subsequent degradation of SNAI1.

AlphaFold DB , UniProt , Accession Q8N1E6, Species HUMAN (Homo sapiens, Human), Gene FBXL14, Length 418 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
1M55.3Low77.5Confident229 Ų229113.1 Ų113.1100%1.12859%0.591SS**  0118.50-90.5-174.5-101.700107T3M1-T3 PolarHBondContact O-N 3.41Å
2E60.6Low78.7Confident170 Ų170110.1 Ų110.179%0.79458%0.575SS**  trans-64.7119174.2-73.3-177.6163.600108.7H4E2-H4 PolarHBondContact O-N 2.74Å
3T72.9Confident79.7Confident144 Ų144101.8 Ų101.888%0.88353%0.532SS*.  trans-90.724.5-177.247.80000111.9M1M1-T3 PolarHBondContact O-N 3.41Å
4H78.5Confident80.7Confident99 Ų9994.9 Ų94.946%0.45850%0.497SS..  trans-82.3136.5-178.5-164.9-103.5000110.2E2 S6 C7E2-H4 PolarHBondContact O-N 2.74Å; H4-S6 WeakPolarHBondContact ND1-CB 3.44Å; H4-S6 PolarHBondContact ND1-N 3.06Å; H4-S6 PolarHBondContact ND1-OG 2.71Å; H4-S6 PolarHBondContact O-N 3.45Å; H4-C7 VanDerWaalsContact O-CB 3.31Å; H4-C7 WeakPolarHBondContact O-CB 3.16Å; H4-C7 PolarHBondContact O-N 2.89Å; H4-C7 PolarHBondContact O-SG 3.23Å
5I78.8Confident81.5Confident63 Ų6396.1 Ų96.132%0.32350%0.501SS..G310 helixtrans-58.4-23.4-177.9-167179.2000112.9C7 L8 L13 I16 W35I5-C7 PolarHBondContact O-N 3.41Å; I5-C7 VanDerWaalsContact O-N 3.15Å; I5-L8 HydrophobicContact CD1-CD1 4.38Å; I5-L8 HydrophobicContact CG1-CD1 3.52Å; I5-L8 HydrophobicContact CG1-CG 4.18Å; I5-L8 VanDerWaalsContact O-CB 3.29Å; I5-L8 WeakPolarHBondContact O-CB 3.42Å; I5-L8 VanDerWaalsContact O-CG 3.31Å; I5-L8 WeakPolarHBondContact O-CG 3.29Å; I5-L8 PolarHBondContact O-N 2.9Å; I5-L13 HydrophobicContact CD1-CD2 4.43Å; I5-L13 HydrophobicContact CG1-CD2 3.96Å; I5-L13 WeakPolarHBondContact O-CD2 3.29Å; I5-I16 HydrophobicContact CD1-CD1 4.14Å; I5-W35 HydrophobicContact CG2-CH2 4.08Å; I5-W35 HydrophobicContact CG2-CZ2 3.19Å
6S75.6Confident82.3Confident38 Ų3894.4 Ų94.427%0.26649%0.492SS..G310 helixtrans-63.9-14.417462.90000114.3H4 L8H4-S6 WeakPolarHBondContact ND1-CB 3.44Å; H4-S6 PolarHBondContact ND1-N 3.06Å; H4-S6 PolarHBondContact ND1-OG 2.71Å; H4-S6 PolarHBondContact O-N 3.45Å; S6-L8 VanDerWaalsContact C-N 3.29Å
7C81.2Confident83Confident77 Ų7789.2 Ų89.252%0.5246%0.464SS..G310 helixtrans-82.2-8175.1-56.40000112.5H4 I5H4-C7 VanDerWaalsContact O-CB 3.31Å; H4-C7 WeakPolarHBondContact O-CB 3.16Å; H4-C7 PolarHBondContact O-N 2.89Å; H4-C7 PolarHBondContact O-SG 3.23Å; I5-C7 PolarHBondContact O-N 3.41Å; I5-C7 VanDerWaalsContact O-N 3.15Å
8L84.8Confident83.6Confident67 Ų6785.9 Ų85.935%0.35146%0.455SS..SBendtrans-65.5151.5171.1-65.9-178.6000110.5I5 S6 L12 L13 I16I5-L8 HydrophobicContact CD1-CD1 4.38Å; I5-L8 HydrophobicContact CG1-CD1 3.52Å; I5-L8 HydrophobicContact CG1-CG 4.18Å; I5-L8 VanDerWaalsContact O-CB 3.29Å; I5-L8 WeakPolarHBondContact O-CB 3.42Å; I5-L8 VanDerWaalsContact O-CG 3.31Å; I5-L8 WeakPolarHBondContact O-CG 3.29Å; I5-L8 PolarHBondContact O-N 2.9Å; S6-L8 VanDerWaalsContact C-N 3.29Å; L8-L12 HydrophobicContact CB-CB 4.33Å; L8-L12 HydrophobicContact CD2-CD1 4.44Å; L8-L13 HydrophobicContact CB-CD2 4.38Å; L8-L13 HydrophobicContact CB-CG 4.04Å; L8-L13 HydrophobicContact CD1-CD2 4.48Å; L8-I16 HydrophobicContact CD1-CD1 3.58Å
9F88.2Confident84.1Confident147 Ų14791.9 Ų91.965%0.64547%0.473SS*.  trans-55.4141.3172-68.5-74.7000111.2E11 L12 L13F9-E11 PolarHBondContact O-N 2.75Å; F9-L12 HydrophobicContact CB-CD1 4.4Å; F9-L12 HydrophobicContact CB-CG 4.35Å; F9-L12 HydrophobicContact CD2-CD1 4.27Å; F9-L12 WeakPolarHBondContact O-CB 3.46Å; F9-L12 PolarHBondContact O-N 2.87Å; F9-L13 PolarHBondContact O-N 2.91Å
10P87Confident84.5Confident82 Ų8290.1 Ų90.153%0.53246%0.464SS..Hα-helixtrans-51.1-34.1-179.4-28.235.2000114L13 A14P10-L13 PolarHBondContact O-N 3.11Å; P10-A14 WeakPolarHBondContact O-CB 3.45Å; P10-A14 PolarHBondContact O-N 3.36Å
11E89.4Confident84.9Confident128 Ų12890 Ų9060%0.59846%0.464SS*.Hα-helixtrans-66.1-42.5177.9-61.474.6-164.600111.5F9 A14 M15F9-E11 PolarHBondContact O-N 2.75Å; E11-A14 PolarHBondContact O-N 2.8Å; E11-M15 VanDerWaalsContact O-CG 3.29Å; E11-M15 WeakPolarHBondContact O-CG 3.34Å; E11-M15 PolarHBondContact O-N 3.07Å
12L91.9Very high86.6Confident77 Ų7783.2 Ų83.240%0.40344%0.435SS..Hα-helixtrans-67.6-42176.3-64178.7000110.7L8 F9 A14 M15 I16L8-L12 HydrophobicContact CB-CB 4.33Å; L8-L12 HydrophobicContact CD2-CD1 4.44Å; F9-L12 HydrophobicContact CB-CD1 4.4Å; F9-L12 HydrophobicContact CB-CG 4.35Å; F9-L12 HydrophobicContact CD2-CD1 4.27Å; F9-L12 WeakPolarHBondContact O-CB 3.46Å; F9-L12 PolarHBondContact O-N 2.87Å; L12-A14 PolarHBondContact O-N 3.38Å; L12-M15 HydrophobicContact CD2-SD 4.47Å; L12-M15 WeakPolarHBondContact O-CB 3.47Å; L12-M15 PolarHBondContact O-N 3.07Å; L12-I16 VanDerWaalsContact O-CG1 3.23Å; L12-I16 WeakPolarHBondContact O-CG1 3.29Å; L12-I16 PolarHBondContact O-N 2.91Å
13L92.1Very high88.1Confident3 Ų383.1 Ų83.12%0.01643%0.428CS..Hα-helixtrans-60.2-45173.5-76.8172.4000111.7I5 L8 F9 P10 M15 I16 F17 A38I5-L13 HydrophobicContact CD1-CD2 4.43Å; I5-L13 HydrophobicContact CG1-CD2 3.96Å; I5-L13 WeakPolarHBondContact O-CD2 3.29Å; L8-L13 HydrophobicContact CB-CD2 4.38Å; L8-L13 HydrophobicContact CB-CG 4.04Å; L8-L13 HydrophobicContact CD1-CD2 4.48Å; F9-L13 PolarHBondContact O-N 2.91Å; P10-L13 PolarHBondContact O-N 3.11Å; L13-M15 VanDerWaalsContact C-N 3.34Å; L13-M15 PolarHBondContact O-N 3.31Å; L13-I16 PolarHBondContact O-N 2.95Å; L13-F17 HydrophobicContact CB-CE2 4.42Å; L13-F17 HydrophobicContact CD2-CZ 4.16Å; L13-F17 WeakPolarHBondContact O-CB 3.43Å; L13-F17 WeakPolarHBondContact O-CD2 3.5Å; L13-F17 VanDerWaalsContact O-CG 3.26Å; L13-F17 WeakPolarHBondContact O-CG 3.33Å; L13-F17 PolarHBondContact O-N 2.84Å; L13-A38 HydrophobicContact CB-CB 3.58Å; L13-A38 HydrophobicContact CD1-CB 4.39Å
14A93.4Very high89.1Confident4 Ų478.8 Ų78.83%0.03340%0.399CS..Hα-helixtrans-64.2-37.5176.300000112P10 E11 L12 G18 H41 V44P10-A14 WeakPolarHBondContact O-CB 3.45Å; P10-A14 PolarHBondContact O-N 3.36Å; E11-A14 PolarHBondContact O-N 2.8Å; L12-A14 PolarHBondContact O-N 3.38Å; A14-G18 PolarHBondContact O-N 3.14Å; A14-H41 HydrophobicContact CB-CB 4.02Å; A14-V44 HydrophobicContact CB-CG2 3.96Å; A14-V44 WeakPolarHBondContact O-CG2 3.37Å
15M93.1Very high89.8Confident114 Ų11474.8 Ų74.856%0.56238%0.38SS*.Hα-helixtrans-62.3-46.3172.8-76177.964.700111.5E11 L12 L13 G18 Y19E11-M15 VanDerWaalsContact O-CG 3.29Å; E11-M15 WeakPolarHBondContact O-CG 3.34Å; E11-M15 PolarHBondContact O-N 3.07Å; L12-M15 HydrophobicContact CD2-SD 4.47Å; L12-M15 WeakPolarHBondContact O-CB 3.47Å; L12-M15 PolarHBondContact O-N 3.07Å; L13-M15 VanDerWaalsContact C-N 3.34Å; L13-M15 PolarHBondContact O-N 3.31Å; M15-G18 PolarHBondContact O-N 3.31Å; M15-Y19 WeakPolarHBondContact O-CD2 3.14Å; M15-Y19 WeakPolarHBondContact O-CE2 3.35Å
16I93.3Very high90.4Very high69 Ų6973.2 Ų73.235%0.35438%0.38SS..Hα-helixtrans-60.8-48.8177.7-67.9165.1000110.2I5 L8 L12 L13 G18 Y19I5-I16 HydrophobicContact CD1-CD1 4.14Å; L8-I16 HydrophobicContact CD1-CD1 3.58Å; L12-I16 VanDerWaalsContact O-CG1 3.23Å; L12-I16 WeakPolarHBondContact O-CG1 3.29Å; L12-I16 PolarHBondContact O-N 2.91Å; L13-I16 PolarHBondContact O-N 2.95Å; I16-G18 PolarHBondContact O-N 3.06Å; I16-Y19 PolarHBondContact O-N 3.46Å; I16-Y19 VanDerWaalsContact O-N 3.15Å
17F94.7Very high91.2Very high5 Ų577.2 Ų77.22%0.02239%0.389CS..Hα-helixtrans-67.4-22.8178.7-62.7-19.2000113.3L13 Y19 L20 K25 A28 W35 A38 A39 V44L13-F17 HydrophobicContact CB-CE2 4.42Å; L13-F17 HydrophobicContact CD2-CZ 4.16Å; L13-F17 WeakPolarHBondContact O-CB 3.43Å; L13-F17 WeakPolarHBondContact O-CD2 3.5Å; L13-F17 VanDerWaalsContact O-CG 3.26Å; L13-F17 WeakPolarHBondContact O-CG 3.33Å; L13-F17 PolarHBondContact O-N 2.84Å; F17-Y19 PolarHBondContact O-N 3.03Å; F17-L20 HydrophobicContact CB-CD1 4.28Å; F17-L20 HydrophobicContact CD1-CD1 3.67Å; F17-L20 HydrophobicContact CE1-CD1 4.45Å; F17-L20 HydrophobicContact CG-CD1 4.25Å; F17-L20 WeakPolarHBondContact O-CB 3.4Å; F17-L20 PolarHBondContact O-N 2.73Å; F17-L20 VanDerWaalsContact O-N 3.1Å; F17-K25 WeakPolarHBondContact O-CE 3.4Å; F17-A28 HydrophobicContact CD1-CB 4.25Å; F17-A28 HydrophobicContact CE1-CB 4.11Å; F17-A28 HydrophobicContact CE2-CB 4.43Å; F17-A28 HydrophobicContact CG-CB 4.49Å; F17-A28 HydrophobicContact CZ-CB 4.21Å; F17-W35 HydrophobicContact CE1-CD2 4.29Å; F17-W35 AromaticContact CE1-CE3 3.86Å; F17-W35 HydrophobicContact CE1-CE3 3.86Å; F17-W35 HydrophobicContact CE1-CZ3 4.09Å; F17-W35 HydrophobicContact CE2-CB 4.1Å; F17-W35 HydrophobicContact CE2-CD2 4.41Å; F17-W35 HydrophobicContact CE2-CE3 4.42Å; F17-W35 HydrophobicContact CE2-CG 4.27Å; F17-W35 WeakPolarHBondContact CE2-O 3.23Å; F17-W35 HydrophobicContact CZ-CB 4.06Å; F17-W35 AromaticContact CZ-CD2 3.52Å; F17-W35 HydrophobicContact CZ-CD2 3.52Å; F17-W35 AromaticContact CZ-CE3 3.43Å; F17-W35 HydrophobicContact CZ-CE3 3.43Å; F17-W35 VanDerWaalsContact CZ-CE3 3.43Å; F17-W35 AromaticContact CZ-CG 3.79Å; F17-W35 HydrophobicContact CZ-CG 3.79Å; F17-W35 HydrophobicContact CZ-CZ3 4.11Å; F17-A38 HydrophobicContact CD2-CB 4.03Å; F17-A38 HydrophobicContact CE2-CB 3.87Å; F17-A39 HydrophobicContact CD2-CB 3.84Å; F17-A39 HydrophobicContact CE2-CB 4.22Å; F17-V44 HydrophobicContact CB-CG1 4.05Å; F17-V44 HydrophobicContact CB-CG2 4.13Å
18G93.3Very high91.7Very high30 Ų3073.8 Ų73.831%0.30937%0.366SS..Hα-helixtrans-56.4-34171.700000113A14 M15 I16 K25A14-G18 PolarHBondContact O-N 3.14Å; M15-G18 PolarHBondContact O-N 3.31Å; I16-G18 PolarHBondContact O-N 3.06Å; G18-K25 PolarHBondContact O-NZ 3.08Å
19Y93.3Very high92.1Very high200 Ų20071.1 Ų71.178%0.78435%0.354SS*.THydrogen-bonded Turntrans-78.5-14.3178.4-65.1-75.2000114.4M15 I16 F17M15-Y19 WeakPolarHBondContact O-CD2 3.14Å; M15-Y19 WeakPolarHBondContact O-CE2 3.35Å; I16-Y19 PolarHBondContact O-N 3.46Å; I16-Y19 VanDerWaalsContact O-N 3.15Å; F17-Y19 PolarHBondContact O-N 3.03Å
20L93.4Very high92.4Very high56 Ų5671.9 Ų71.929%0.29336%0.359SS..SBendtrans-71.6152.4178.1-62.6178.7000111.2F17 D24 K25 A28F17-L20 HydrophobicContact CB-CD1 4.28Å; F17-L20 HydrophobicContact CD1-CD1 3.67Å; F17-L20 HydrophobicContact CE1-CD1 4.45Å; F17-L20 HydrophobicContact CG-CD1 4.25Å; F17-L20 WeakPolarHBondContact O-CB 3.4Å; F17-L20 PolarHBondContact O-N 2.73Å; F17-L20 VanDerWaalsContact O-N 3.1Å; L20-D24 HydrophobicContact CB-CB 4.18Å; L20-D24 HydrophobicContact CD2-CB 4.42Å; L20-K25 HydrophobicContact CB-CG 3.94Å; L20-K25 WeakPolarHBondContact O-CE 3.43Å; L20-K25 PolarHBondContact O-NZ 3.32Å; L20-A28 HydrophobicContact CD1-CB 3.99Å
21D92.8Very high92.6Very high89 Ų8971.7 Ų71.748%0.47636%0.357SS..  trans-69.4171.316978.926000111.4R23 D24 K25D21-R23 VanDerWaalsContact C-N 3.26Å; D21-R23 PolarHBondContact O-N 2.88Å; D21-R23 WeakPolarHBondContact OD1-CA 3.14Å; D21-R23 WeakPolarHBondContact OD1-CB 3.06Å; D21-R23 PolarHBondContact OD1-N 3.4Å; D21-D24 PolarHBondContact O-N 2.91Å; D21-D24 WeakPolarHBondContact OD1-CB 3.26Å; D21-D24 PolarHBondContact OD1-N 3.48Å; D21-K25 WeakPolarHBondContact O-CB 3.21Å; D21-K25 VanDerWaalsContact O-CG 3.24Å; D21-K25 WeakPolarHBondContact O-CG 3.45Å; D21-K25 PolarHBondContact O-N 2.92Å
22V90.3Very high92.7Very high85 Ų8567.9 Ų67.952%0.51534%0.344SS..Hα-helixtrans-61.2-35.3-177.2175.20000112.4G26 W45 V48V22-G26 PolarHBondContact O-N 3.21Å; V22-W45 HydrophobicContact CG1-CZ3 4.34Å; V22-V48 HydrophobicContact CG2-CG1 3.8Å; V22-V48 HydrophobicContact CG2-CG2 4.44Å
23R91.3Very high92.7Very high168 Ų16868.6 Ų68.663%0.63435%0.352SS*.Hα-helixtrans-71.5-44.9-178.5-177.7-172.8-176.5-174.33.2110.2D21 G26 R27D21-R23 VanDerWaalsContact C-N 3.26Å; D21-R23 PolarHBondContact O-N 2.88Å; D21-R23 WeakPolarHBondContact OD1-CA 3.14Å; D21-R23 WeakPolarHBondContact OD1-CB 3.06Å; D21-R23 PolarHBondContact OD1-N 3.4Å; R23-G26 PolarHBondContact O-N 2.88Å; R23-G26 VanDerWaalsContact O-N 3.17Å; R23-R27 VanDerWaalsContact CZ-NH2 3.31Å; R23-R27 PolarHBondContact O-N 3.19Å; R23-R27 VanDerWaalsContact O-N 3.15Å
24D94.4Very high92.6Very high53 Ų5370.3 Ų70.328%0.28337%0.366SS..Hα-helixtrans-74.5-27.7-177.5-69.6-20.7000112.1L20 D21 G26 R27 A28L20-D24 HydrophobicContact CB-CB 4.18Å; L20-D24 HydrophobicContact CD2-CB 4.42Å; D21-D24 PolarHBondContact O-N 2.91Å; D21-D24 WeakPolarHBondContact OD1-CB 3.26Å; D21-D24 PolarHBondContact OD1-N 3.48Å; D24-G26 VanDerWaalsContact C-N 3.29Å; D24-G26 PolarHBondContact O-N 3.28Å; D24-R27 PolarHBondContact O-N 3.03Å; D24-R27 WeakPolarHBondContact OD1-CD 3.25Å; D24-R27 IonicContact OD1-CZ 3.15Å; D24-R27 IonicContact OD1-NE 3.3Å; D24-R27 IonicContact OD1-NH1 2.8Å; D24-R27 PolarHBondContact OD1-NH1 3.12Å; D24-A28 WeakPolarHBondContact O-CB 3.04Å; D24-A28 PolarHBondContact O-N 3.25Å
25K93.8Very high92.6Very high16 Ų1672.1 Ų72.17%0.0737%0.372CS..Hα-helixtrans-56.8-43165.1-76.3165.7174.5145.30112.1F17 G18 L20 D21 A29 V44 W45F17-K25 WeakPolarHBondContact O-CE 3.4Å; G18-K25 PolarHBondContact O-NZ 3.08Å; L20-K25 HydrophobicContact CB-CG 3.94Å; L20-K25 WeakPolarHBondContact O-CE 3.43Å; L20-K25 PolarHBondContact O-NZ 3.32Å; D21-K25 WeakPolarHBondContact O-CB 3.21Å; D21-K25 VanDerWaalsContact O-CG 3.24Å; D21-K25 WeakPolarHBondContact O-CG 3.45Å; D21-K25 PolarHBondContact O-N 2.92Å; K25-A29 PolarHBondContact O-N 3.15Å; K25-V44 HydrophobicContact CD-CG1 3.78Å; K25-V44 WeakPolarHBondContact CE-O 3.45Å; K25-V44 HydrophobicContact CG-CG1 3.83Å; K25-V44 PolarHBondContact NZ-O 3.31Å; K25-W45 HydrophobicContact CB-CH2 3.67Å; K25-W45 HydrophobicContact CB-CZ2 3.86Å; K25-W45 HydrophobicContact CB-CZ3 4.32Å; K25-W45 HydrophobicContact CD-CE3 4.46Å; K25-W45 HydrophobicContact CD-CH2 4.45Å; K25-W45 HydrophobicContact CD-CZ3 4.36Å
26G90.1Very high92.6Very high30 Ų3071.7 Ų71.731%0.30936%0.364SS..Hα-helixtrans-64.9-40.9176.300000112.7V22 R23 D24 A29V22-G26 PolarHBondContact O-N 3.21Å; R23-G26 PolarHBondContact O-N 2.88Å; R23-G26 VanDerWaalsContact O-N 3.17Å; D24-G26 VanDerWaalsContact C-N 3.29Å; D24-G26 PolarHBondContact O-N 3.28Å; G26-A29 PolarHBondContact O-N 3.1Å
27R93.8Very high92.4Very high121 Ų12172.9 Ų72.946%0.45737%0.371SS..Hα-helixtrans-68.2-42.6177.1-71.1167.1163.2179-14.1112.5R23 D24 A29 Q30R23-R27 VanDerWaalsContact CZ-NH2 3.31Å; R23-R27 PolarHBondContact O-N 3.19Å; R23-R27 VanDerWaalsContact O-N 3.15Å; D24-R27 PolarHBondContact O-N 3.03Å; D24-R27 WeakPolarHBondContact OD1-CD 3.25Å; D24-R27 IonicContact OD1-CZ 3.15Å; D24-R27 IonicContact OD1-NE 3.3Å; D24-R27 IonicContact OD1-NH1 2.8Å; D24-R27 PolarHBondContact OD1-NH1 3.12Å; R27-A29 PolarHBondContact O-N 3.47Å; R27-Q30 WeakPolarHBondContact O-CB 3.48Å; R27-Q30 PolarHBondContact O-N 3.12Å
28A92.4Very high92.3Very high6 Ų672.8 Ų72.85%0.0537%0.371CS..Hα-helixtrans-56.9-39.5175.400000111F17 L20 D24 Q30 V31 W35F17-A28 HydrophobicContact CD1-CB 4.25Å; F17-A28 HydrophobicContact CE1-CB 4.11Å; F17-A28 HydrophobicContact CE2-CB 4.43Å; F17-A28 HydrophobicContact CG-CB 4.49Å; F17-A28 HydrophobicContact CZ-CB 4.21Å; L20-A28 HydrophobicContact CD1-CB 3.99Å; D24-A28 WeakPolarHBondContact O-CB 3.04Å; D24-A28 PolarHBondContact O-N 3.25Å; A28-Q30 PolarHBondContact O-N 3.38Å; A28-Q30 VanDerWaalsContact O-N 3.08Å; A28-V31 PolarHBondContact O-N 3.02Å; A28-W35 HydrophobicContact CB-CE3 4.04Å; A28-W35 HydrophobicContact CB-CZ3 4.44Å; A28-W35 WeakPolarHBondContact O-CB 3.26Å
29A92Very high92.3Very high11 Ų1171.4 Ų71.49%0.09136%0.357CS..THydrogen-bonded Turntrans-65.6-9.717700000114.9K25 G26 R27 R36 A39 Y40K25-A29 PolarHBondContact O-N 3.15Å; G26-A29 PolarHBondContact O-N 3.1Å; R27-A29 PolarHBondContact O-N 3.47Å; A29-R36 HydrophobicContact CB-CG 4.31Å; A29-R36 WeakPolarHBondContact O-CB 3.45Å; A29-A39 HydrophobicContact CB-CB 3.84Å; A29-Y40 HydrophobicContact CB-CD1 4.29Å; A29-Y40 HydrophobicContact CB-CE1 3.73Å
30Q93.6Very high92.2Very high162 Ų16266.5 Ų66.576%0.75734%0.337SS*.THydrogen-bonded Turntrans-98.8-5.7178.8-64.5174.3-13.900113.2R27 A28R27-Q30 WeakPolarHBondContact O-CB 3.48Å; R27-Q30 PolarHBondContact O-N 3.12Å; A28-Q30 PolarHBondContact O-N 3.38Å; A28-Q30 VanDerWaalsContact O-N 3.08Å
31V92.6Very high92.2Very high79 Ų7968.9 Ų68.948%0.47935%0.347SS..THydrogen-bonded Turntrans-74.2-55.3-173.7175.30000112A28 W35A28-V31 PolarHBondContact O-N 3.02Å; V31-W35 HydrophobicContact CB-CB 4.25Å; V31-W35 HydrophobicContact CB-CD2 3.81Å; V31-W35 HydrophobicContact CB-CE3 3.62Å; V31-W35 HydrophobicContact CB-CG 4.15Å; V31-W35 HydrophobicContact CB-CZ3 4.18Å; V31-W35 HydrophobicContact CG1-CD2 3.8Å; V31-W35 HydrophobicContact CG1-CE3 3.92Å; V31-W35 HydrophobicContact CG1-CG 4.25Å; V31-W35 HydrophobicContact CG1-CH2 4.35Å; V31-W35 HydrophobicContact CG1-CZ2 4.21Å; V31-W35 HydrophobicContact CG1-CZ3 4.23Å; V31-W35 HydrophobicContact CG2-CD2 4.26Å; V31-W35 HydrophobicContact CG2-CE3 3.55Å; V31-W35 HydrophobicContact CG2-CH2 4.47Å; V31-W35 HydrophobicContact CG2-CZ3 3.72Å
32C91.9Very high92.2Very high48 Ų4871 Ų7132%0.32435%0.352SS..  trans-158.1175.3175.271.50000110.5A34 W35 R36C32-A34 PolarHBondContact O-N 3.28Å; C32-W35 PolarHBondContact O-N 3.32Å; C32-W35 PolarHBondContact SG-N 3.44Å; C32-R36 WeakPolarHBondContact O-CB 3.37Å; C32-R36 PolarHBondContact O-N 3.36Å
33T91.3Very high92.4Very high92 Ų9269.9 Ų69.956%0.56435%0.348SS*.Hα-helixtrans-59.9-46.5179.648.70000112.4W35 R36 D37T33-W35 VanDerWaalsContact C-N 3.31Å; T33-W35 PolarHBondContact O-N 3.18Å; T33-R36 WeakPolarHBondContact O-CB 3.35Å; T33-R36 PolarHBondContact O-N 3.43Å; T33-R36 VanDerWaalsContact O-N 3.15Å; T33-D37 PolarHBondContact O-N 2.81Å
34A90.8Very high92.6Very high38 Ų3862 Ų6231%0.31432%0.318SS..Hα-helixtrans-58.4-43.217800000112C32 A38C32-A34 PolarHBondContact O-N 3.28Å; A34-A38 WeakPolarHBondContact O-CB 3.33Å; A34-A38 PolarHBondContact O-N 3.21Å; A34-A38 VanDerWaalsContact O-N 3.08Å
35W93Very high92.6Very high43 Ų4360.4 Ų60.416%0.16331%0.308CS..Hα-helixtrans-69.4-38.8177.3-76.239.9000112I5 F17 A28 V31 C32 T33 A39I5-W35 HydrophobicContact CG2-CH2 4.08Å; I5-W35 HydrophobicContact CG2-CZ2 3.19Å; F17-W35 HydrophobicContact CE1-CD2 4.29Å; F17-W35 AromaticContact CE1-CE3 3.86Å; F17-W35 HydrophobicContact CE1-CE3 3.86Å; F17-W35 HydrophobicContact CE1-CZ3 4.09Å; F17-W35 HydrophobicContact CE2-CB 4.1Å; F17-W35 HydrophobicContact CE2-CD2 4.41Å; F17-W35 HydrophobicContact CE2-CE3 4.42Å; F17-W35 HydrophobicContact CE2-CG 4.27Å; F17-W35 WeakPolarHBondContact CE2-O 3.23Å; F17-W35 HydrophobicContact CZ-CB 4.06Å; F17-W35 AromaticContact CZ-CD2 3.52Å; F17-W35 HydrophobicContact CZ-CD2 3.52Å; F17-W35 AromaticContact CZ-CE3 3.43Å; F17-W35 HydrophobicContact CZ-CE3 3.43Å; F17-W35 VanDerWaalsContact CZ-CE3 3.43Å; F17-W35 AromaticContact CZ-CG 3.79Å; F17-W35 HydrophobicContact CZ-CG 3.79Å; F17-W35 HydrophobicContact CZ-CZ3 4.11Å; A28-W35 HydrophobicContact CB-CE3 4.04Å; A28-W35 HydrophobicContact CB-CZ3 4.44Å; A28-W35 WeakPolarHBondContact O-CB 3.26Å; V31-W35 HydrophobicContact CB-CB 4.25Å; V31-W35 HydrophobicContact CB-CD2 3.81Å; V31-W35 HydrophobicContact CB-CE3 3.62Å; V31-W35 HydrophobicContact CB-CG 4.15Å; V31-W35 HydrophobicContact CB-CZ3 4.18Å; V31-W35 HydrophobicContact CG1-CD2 3.8Å; V31-W35 HydrophobicContact CG1-CE3 3.92Å; V31-W35 HydrophobicContact CG1-CG 4.25Å; V31-W35 HydrophobicContact CG1-CH2 4.35Å; V31-W35 HydrophobicContact CG1-CZ2 4.21Å; V31-W35 HydrophobicContact CG1-CZ3 4.23Å; V31-W35 HydrophobicContact CG2-CD2 4.26Å; V31-W35 HydrophobicContact CG2-CE3 3.55Å; V31-W35 HydrophobicContact CG2-CH2 4.47Å; V31-W35 HydrophobicContact CG2-CZ3 3.72Å; C32-W35 PolarHBondContact O-N 3.32Å; C32-W35 PolarHBondContact SG-N 3.44Å; T33-W35 VanDerWaalsContact C-N 3.31Å; T33-W35 PolarHBondContact O-N 3.18Å; W35-A39 WeakPolarHBondContact O-CA 3.5Å; W35-A39 WeakPolarHBondContact O-CB 3.36Å; W35-A39 PolarHBondContact O-N 2.8Å
36R91.6Very high92.4Very high105 Ų10570.2 Ų70.240%0.39635%0.345SS..Hα-helixtrans-59.6-46.9175.3-174.6-171.464.5-165.2-4.2111.6A29 C32 T33 A39 Y40A29-R36 HydrophobicContact CB-CG 4.31Å; A29-R36 WeakPolarHBondContact O-CB 3.45Å; C32-R36 WeakPolarHBondContact O-CB 3.37Å; C32-R36 PolarHBondContact O-N 3.36Å; T33-R36 WeakPolarHBondContact O-CB 3.35Å; T33-R36 PolarHBondContact O-N 3.43Å; T33-R36 VanDerWaalsContact O-N 3.15Å; R36-A39 PolarHBondContact O-N 3.13Å; R36-Y40 HydrophobicContact CG-CD2 4.11Å; R36-Y40 HydrophobicContact CG-CE2 3.9Å; R36-Y40 WeakPolarHBondContact O-CB 3.37Å; R36-Y40 PolarHBondContact O-N 2.88Å
37D90.9Very high92.4Very high94 Ų9471 Ų7150%0.50335%0.353SS..Hα-helixtrans-67.9-42.5-176.2-60.9-12.3000110.2T33 Y40 H41T33-D37 PolarHBondContact O-N 2.81Å; D37-Y40 PolarHBondContact O-N 3.12Å; D37-H41 PolarHBondContact O-N 3.21Å
38A92.3Very high92.5Very high3 Ų366.1 Ų66.13%0.02534%0.337CS..Hα-helixtrans-63.6-44.2171.600000112.4L13 F17 A34 Y40 H41 V44L13-A38 HydrophobicContact CB-CB 3.58Å; L13-A38 HydrophobicContact CD1-CB 4.39Å; F17-A38 HydrophobicContact CD2-CB 4.03Å; F17-A38 HydrophobicContact CE2-CB 3.87Å; A34-A38 WeakPolarHBondContact O-CB 3.33Å; A34-A38 PolarHBondContact O-N 3.21Å; A34-A38 VanDerWaalsContact O-N 3.08Å; A38-Y40 PolarHBondContact O-N 3.36Å; A38-H41 WeakPolarHBondContact O-CB 3.48Å; A38-H41 PolarHBondContact O-N 2.97Å; A38-H41 VanDerWaalsContact O-N 3.12Å; A38-V44 VanDerWaalsContact O-CG2 3.31Å; A38-V44 WeakPolarHBondContact O-CG2 3.47Å
39A92.6Very high92.6Very high0 Ų069.2 Ų69.20%035%0.35CS..Hα-helixtrans-66.2-25.2179.800000112.3F17 A29 W35 R36 W45F17-A39 HydrophobicContact CD2-CB 3.84Å; F17-A39 HydrophobicContact CE2-CB 4.22Å; A29-A39 HydrophobicContact CB-CB 3.84Å; W35-A39 WeakPolarHBondContact O-CA 3.5Å; W35-A39 WeakPolarHBondContact O-CB 3.36Å; W35-A39 PolarHBondContact O-N 2.8Å; R36-A39 PolarHBondContact O-N 3.13Å; A39-W45 PolarHBondContact O-NE1 3.31Å
40Y91.7Very high92.8Very high98 Ų9869.3 Ų69.338%0.38435%0.351SS..THydrogen-bonded Turntrans-89.8-3.5176.3-74.5-0.8000113.8A29 R36 D37 A38 K42 R68A29-Y40 HydrophobicContact CB-CD1 4.29Å; A29-Y40 HydrophobicContact CB-CE1 3.73Å; R36-Y40 HydrophobicContact CG-CD2 4.11Å; R36-Y40 HydrophobicContact CG-CE2 3.9Å; R36-Y40 WeakPolarHBondContact O-CB 3.37Å; R36-Y40 PolarHBondContact O-N 2.88Å; D37-Y40 PolarHBondContact O-N 3.12Å; A38-Y40 PolarHBondContact O-N 3.36Å; Y40-K42 PolarHBondContact O-N 3.27Å; Y40-R68 VanDerWaalsContact CZ-NH2 3.29Å; Y40-R68 PolarHBondContact OH-NH2 3.5Å
41H92.9Very high92.8Very high105 Ų10568.1 Ų68.149%0.48634%0.343SS..SBendtrans-60.5135.7174.3-166.9-93.2000111.2A14 D37 A38 S43 V44A14-H41 HydrophobicContact CB-CB 4.02Å; D37-H41 PolarHBondContact O-N 3.21Å; A38-H41 WeakPolarHBondContact O-CB 3.48Å; A38-H41 PolarHBondContact O-N 2.97Å; A38-H41 VanDerWaalsContact O-N 3.12Å; H41-S43 PolarHBondContact ND1-N 2.97Å; H41-S43 PolarHBondContact ND1-OG 3.47Å; H41-S43 PolarHBondContact O-N 3.4Å; H41-S43 VanDerWaalsContact O-N 3.11Å; H41-V44 HydrophobicContact CB-CG2 4.33Å; H41-V44 VanDerWaalsContact O-CB 3.28Å; H41-V44 WeakPolarHBondContact O-CB 3.36Å; H41-V44 PolarHBondContact O-N 3.23Å
42K93.3Very high92.9Very high133 Ų13365.2 Ų65.258%0.57833%0.325SS*.G310 helixtrans-58.2-31.5-172.6-65.9180179.61690113.6Y40 V44 W45 R46 A67Y40-K42 PolarHBondContact O-N 3.27Å; K42-V44 PolarHBondContact O-N 3Å; K42-W45 PolarHBondContact O-N 3.37Å; K42-W45 VanDerWaalsContact O-N 3.16Å; K42-R46 PolarHBondContact O-N 2.8Å; K42-A67 WeakPolarHBondContact CE-O 3.28Å
43S93.8Very high92.9Very high63 Ų6368 Ų6844%0.44133%0.333SS..G310 helixtrans-61.3-32.2177.762.50000112.7H41 W45 R46H41-S43 PolarHBondContact ND1-N 2.97Å; H41-S43 PolarHBondContact ND1-OG 3.47Å; H41-S43 PolarHBondContact O-N 3.4Å; H41-S43 VanDerWaalsContact O-N 3.11Å; S43-W45 PolarHBondContact O-N 3.02Å; S43-R46 PolarHBondContact O-N 3.38Å
44V95.2Very high92.8Very high2 Ų264.1 Ų64.11%0.01231%0.309CS..G310 helixtrans-63.6-31.2178.2178.50000111.5A14 F17 K25 A38 H41 K42A14-V44 HydrophobicContact CB-CG2 3.96Å; A14-V44 WeakPolarHBondContact O-CG2 3.37Å; F17-V44 HydrophobicContact CB-CG1 4.05Å; F17-V44 HydrophobicContact CB-CG2 4.13Å; K25-V44 HydrophobicContact CD-CG1 3.78Å; K25-V44 WeakPolarHBondContact CE-O 3.45Å; K25-V44 HydrophobicContact CG-CG1 3.83Å; K25-V44 PolarHBondContact NZ-O 3.31Å; A38-V44 VanDerWaalsContact O-CG2 3.31Å; A38-V44 WeakPolarHBondContact O-CG2 3.47Å; H41-V44 HydrophobicContact CB-CG2 4.33Å; H41-V44 VanDerWaalsContact O-CB 3.28Å; H41-V44 WeakPolarHBondContact O-CB 3.36Å; H41-V44 PolarHBondContact O-N 3.23Å; K42-V44 PolarHBondContact O-N 3Å
45W94.3Very high92.5Very high20 Ų2069.4 Ų69.48%0.07632%0.32CS..G310 helixtrans-104.25.7-174.6-56.990.5000113.5V22 K25 A39 K42 S43 G47 V48 R68 I70V22-W45 HydrophobicContact CG1-CZ3 4.34Å; K25-W45 HydrophobicContact CB-CH2 3.67Å; K25-W45 HydrophobicContact CB-CZ2 3.86Å; K25-W45 HydrophobicContact CB-CZ3 4.32Å; K25-W45 HydrophobicContact CD-CE3 4.46Å; K25-W45 HydrophobicContact CD-CH2 4.45Å; K25-W45 HydrophobicContact CD-CZ3 4.36Å; A39-W45 PolarHBondContact O-NE1 3.31Å; K42-W45 PolarHBondContact O-N 3.37Å; K42-W45 VanDerWaalsContact O-N 3.16Å; S43-W45 PolarHBondContact O-N 3.02Å; W45-G47 PolarHBondContact O-N 3.38Å; W45-V48 HydrophobicContact CB-CG2 4.46Å; W45-V48 HydrophobicContact CE3-CB 4.47Å; W45-V48 HydrophobicContact CE3-CG1 4.2Å; W45-V48 HydrophobicContact CE3-CG2 4.28Å; W45-V48 WeakPolarHBondContact O-CB 3.15Å; W45-V48 WeakPolarHBondContact O-CG2 3.46Å; W45-V48 PolarHBondContact O-N 2.69Å; W45-R68 HydrophobicContact CB-CB 4.28Å; W45-R68 WeakPolarHBondContact CB-O 3.19Å; W45-R68 HydrophobicContact CD2-CB 4.26Å; W45-R68 HydrophobicContact CD2-CG 4.41Å; W45-R68 HydrophobicContact CG-CB 3.82Å; W45-R68 HydrophobicContact CG-CG 4.31Å; W45-I70 HydrophobicContact CB-CG1 4.04Å; W45-I70 HydrophobicContact CD2-CD1 4.48Å; W45-I70 HydrophobicContact CE3-CD1 4.05Å
46R90.9Very high92.1Very high222 Ų22277.9 Ų77.984%0.83835%0.352SS*.THydrogen-bonded Turntrans-58.7125.4-179.9-172.8177.9-179176.60.6110.1K42 S43 V48K42-R46 PolarHBondContact O-N 2.8Å; S43-R46 PolarHBondContact O-N 3.38Å; R46-V48 PolarHBondContact O-N 3.29Å
47G90.6Very high91.7Very high47 Ų4776.1 Ų76.149%0.48536%0.36SS..THydrogen-bonded Turntrans79.8-4.6179.300000115.4W45W45-G47 PolarHBondContact O-N 3.38Å
48V94.7Very high91.6Very high17 Ų1775.3 Ų75.310%0.10336%0.356CS..  trans-66.4135.3176.8175.70000110.6V22 W45 R46V22-V48 HydrophobicContact CG2-CG1 3.8Å; V22-V48 HydrophobicContact CG2-CG2 4.44Å; W45-V48 HydrophobicContact CB-CG2 4.46Å; W45-V48 HydrophobicContact CE3-CB 4.47Å; W45-V48 HydrophobicContact CE3-CG1 4.2Å; W45-V48 HydrophobicContact CE3-CG2 4.28Å; W45-V48 WeakPolarHBondContact O-CB 3.15Å; W45-V48 WeakPolarHBondContact O-CG2 3.46Å; W45-V48 PolarHBondContact O-N 2.69Å; R46-V48 PolarHBondContact O-N 3.29Å
49E95.7Very high91.4Very high72 Ų7280.8 Ų80.834%0.33639%0.391SS..EExtended strand (participates in β ladder)trans-100.9114.7171.2-175.1177-17800110.1K51 R72 Q74E49-K51 PolarHBondContact O-N 2.92Å; E49-R72 WeakPolarHBondContact CA-O 3.48Å; E49-R72 HydrophobicContact CB-CB 4.07Å; E49-R72 HydrophobicContact CG-CB 4.16Å; E49-Q74 HydrophobicContact CG-CB 4.27Å; E49-Q74 WeakPolarHBondContact OE1-CB 3.46Å
50A94.3Very high91.3Very high12 Ų1284.5 Ų84.510%0.09942%0.417CS..EExtended strand (participates in β ladder)trans-77.5118.2178.200000110.5L52 L65 I70 R72 V73 Q74A50-L52 HydrophobicContact CB-CD2 4.25Å; A50-L52 HydrophobicContact CB-CG 4.46Å; A50-L65 HydrophobicContact CB-CD1 4.3Å; A50-L65 HydrophobicContact CB-CD2 3.77Å; A50-I70 HydrophobicContact CB-CG2 3.99Å; A50-R72 PolarHBondContact N-O 3.05Å; A50-V73 HydrophobicContact CB-CG2 4.49Å; A50-V73 CarbonylContact O-C 3.51Å; A50-V73 WeakPolarHBondContact O-CA 3.4Å; A50-Q74 PolarHBondContact O-N 2.94Å
51K95Very high91.4Very high138 Ų13881.7 Ų81.760%0.641%0.409SS*.EExtended strand (participates in β ladder)trans-93.2117.1176.6-59.1-172.9176.4-179.10110.3E49 Q74 L76E49-K51 PolarHBondContact O-N 2.92Å; K51-Q74 CarbonylContact C-O 3.53Å; K51-Q74 WeakPolarHBondContact CA-O 3.43Å; K51-Q74 VanDerWaalsContact CE-OE1 3.28Å; K51-Q74 HydrophobicContact CG-CB 4.16Å; K51-L76 HydrophobicContact CB-CD1 3.98Å; K51-L76 HydrophobicContact CB-CG 4.34Å
52L93.5Very high91.4Very high18 Ų1877.8 Ų77.89%0.09439%0.39CS..EExtended strand (participates in β ladder)trans-121.9138.4-167.5-54.5179.9000112.2A50 L54 L61 F62 L65 V73 Q74 I75 L76A50-L52 HydrophobicContact CB-CD2 4.25Å; A50-L52 HydrophobicContact CB-CG 4.46Å; L52-L54 HydrophobicContact CB-CD2 4.28Å; L52-L54 HydrophobicContact CB-CG 4.48Å; L52-L54 HydrophobicContact CD1-CD2 4.48Å; L52-L61 HydrophobicContact CD1-CD2 4.29Å; L52-L61 HydrophobicContact CD2-CD1 4.06Å; L52-L61 HydrophobicContact CD2-CD2 4.42Å; L52-F62 HydrophobicContact CD1-CE1 4.2Å; L52-L65 HydrophobicContact CD1-CD1 3.94Å; L52-L65 HydrophobicContact CD2-CD1 4.41Å; L52-V73 HydrophobicContact CD1-CG1 3.58Å; L52-V73 HydrophobicContact CG-CG1 4.12Å; L52-Q74 PolarHBondContact N-O 3.05Å; L52-I75 HydrophobicContact CB-CD1 4Å; L52-I75 HydrophobicContact CD1-CD1 4.12Å; L52-L76 PolarHBondContact O-N 3.27Å
53H91.7Very high91.3Very high105 Ų10575.1 Ų75.149%0.48639%0.386SS..EExtended strand (participates in β ladder)trans-104.3104.7162.8-69.6-72.8000109.2R55 L76 S77H53-R55 HydrophobicContact CB-CG 4.34Å; H53-R55 PolarHBondContact O-N 3.16Å; H53-L76 VanDerWaalsContact CE1-CB 3.43Å; H53-L76 WeakPolarHBondContact CE1-CB 3.35Å; H53-S77 WeakPolarHBondContact ND1-CB 3.4Å
54L89.5Confident91.2Very high12 Ų1274.1 Ų74.16%0.06338%0.379CS..EExtended strand (participates in β ladder)trans-87.465.6180-60.6-178.2000110.6L52 L61 F62 I75 S77 L78 R79 V85L52-L54 HydrophobicContact CB-CD2 4.28Å; L52-L54 HydrophobicContact CB-CG 4.48Å; L52-L54 HydrophobicContact CD1-CD2 4.48Å; L54-L61 HydrophobicContact CD2-CD2 3.88Å; L54-F62 HydrophobicContact CD2-CZ 4.09Å; L54-I75 HydrophobicContact CD1-CD1 3.63Å; L54-I75 HydrophobicContact CD1-CG1 4.36Å; L54-I75 HydrophobicContact CD1-CG2 4.3Å; L54-I75 HydrophobicContact CG-CD1 4.08Å; L54-I75 HydrophobicContact CG-CG2 4.45Å; L54-S77 PolarHBondContact N-O 3.15Å; L54-L78 HydrophobicContact CB-CD1 4.44Å; L54-L78 HydrophobicContact CD1-CD1 3.95Å; L54-R79 PolarHBondContact O-N 2.77Å; L54-R79 VanDerWaalsContact O-N 3.12Å; L54-V85 HydrophobicContact CD1-CG2 3.39Å
55R85.3Confident91.1Very high148 Ų14874.6 Ų74.656%0.55838%0.382SS*.SBendtrans-92.4-34.3-179.4-66.7-178.4-178.8-175.32.7113.7H53H53-R55 HydrophobicContact CB-CG 4.34Å; H53-R55 PolarHBondContact O-N 3.16Å
56R85.4Confident91Very high222 Ų22278 Ų7884%0.83840%0.398SS*.SBendtrans-133.4159.8-177.6-67.5-175.7178.6172.9-0.7110N58R56-N58 PolarHBondContact O-N 3.33Å
57A83.4Confident90.9Very high67 Ų6770.4 Ų70.455%0.55438%0.384SS*.  trans-65.3132172.700000110
58N88.2Confident91Very high78 Ų7869.9 Ų69.942%0.41737%0.367SS..  trans-138.493172-175.5-10.6000107.9R56 S60 L61R56-N58 PolarHBondContact O-N 3.33Å; N58-S60 PolarHBondContact O-N 3.45Å; N58-S60 PolarHBondContact OD1-N 3.33Å; N58-S60 PolarHBondContact OD1-OG 3.11Å; N58-L61 HydrophobicContact CB-CB 3.99Å; N58-L61 WeakPolarHBondContact O-CB 3.46Å; N58-L61 PolarHBondContact O-N 2.99Å; N58-L61 PolarHBondContact OD1-N 3.12Å
59P87.4Confident90.9Very high118 Ų11870.2 Ų70.277%0.76637%0.373SS*.THydrogen-bonded Turntrans-61.5-29.6-174.9-2434.1000113.7L61 P63P59-L61 VanDerWaalsContact C-N 3.34Å; P59-P63 WeakPolarHBondContact O-CD 3.4Å
60S90.8Very high90.9Very high78 Ų7867.2 Ų67.255%0.54536%0.36SS..THydrogen-bonded Turntrans-82.5-11.9-179.263.40000113.2N58 S64N58-S60 PolarHBondContact O-N 3.45Å; N58-S60 PolarHBondContact OD1-N 3.33Å; N58-S60 PolarHBondContact OD1-OG 3.11Å; S60-S64 WeakPolarHBondContact O-CB 3.03Å; S60-S64 PolarHBondContact O-N 3.3Å
61L92.8Very high91Very high39 Ų3971.7 Ų71.720%0.20437%0.374CS..Hα-helixtrans-58.2-63.5-172.517960.5000112.8L52 L54 N58 P59 S64 L65L52-L61 HydrophobicContact CD1-CD2 4.29Å; L52-L61 HydrophobicContact CD2-CD1 4.06Å; L52-L61 HydrophobicContact CD2-CD2 4.42Å; L54-L61 HydrophobicContact CD2-CD2 3.88Å; N58-L61 HydrophobicContact CB-CB 3.99Å; N58-L61 WeakPolarHBondContact O-CB 3.46Å; N58-L61 PolarHBondContact O-N 2.99Å; N58-L61 PolarHBondContact OD1-N 3.12Å; P59-L61 VanDerWaalsContact C-N 3.34Å; L61-S64 WeakPolarHBondContact O-CB 3.02Å; L61-S64 PolarHBondContact O-N 2.76Å; L61-L65 HydrophobicContact CD1-CD1 4.34Å; L61-L65 HydrophobicContact CD1-CG 4.45Å; L61-L65 HydrophobicContact CG-CD1 4.4Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 3.3Å
62F92.9Very high91.2Very high23 Ų2370.6 Ų70.610%0.10137%0.366CS..Hα-helixtrans-68-41.5-175.3-56.6-66.1000113.3L52 L54 S64 L65 Q66 Y84 V85 G88 M89L52-F62 HydrophobicContact CD1-CE1 4.2Å; L54-F62 HydrophobicContact CD2-CZ 4.09Å; F62-S64 PolarHBondContact O-N 3.3Å; F62-L65 HydrophobicContact CD1-CD1 4.17Å; F62-L65 PolarHBondContact O-N 3.37Å; F62-L65 VanDerWaalsContact O-N 3.12Å; F62-Q66 WeakPolarHBondContact O-CB 3.38Å; F62-Q66 PolarHBondContact O-N 2.9Å; F62-Y84 WeakPolarHBondContact CE2-O 3.47Å; F62-V85 HydrophobicContact CE1-CB 4.26Å; F62-V85 HydrophobicContact CE1-CG1 4.25Å; F62-V85 HydrophobicContact CE1-CG2 4.02Å; F62-V85 HydrophobicContact CZ-CB 4.27Å; F62-V85 HydrophobicContact CZ-CG2 3.77Å; F62-G88 WeakPolarHBondContact CB-O 3.31Å; F62-M89 HydrophobicContact CB-CG 4.29Å; F62-M89 HydrophobicContact CD1-CG 3.82Å; F62-M89 HydrophobicContact CD1-SD 3.96Å; F62-M89 HydrophobicContact CG-CG 4.4Å
63P91.8Very high91.3Very high76 Ų7669.7 Ų69.749%0.49436%0.362SS..Hα-helixtrans-54.6-40.5170.3-27.835.8000112.6P59 Q66 A67P59-P63 WeakPolarHBondContact O-CD 3.4Å; P63-Q66 PolarHBondContact O-N 3.35Å; P63-A67 WeakPolarHBondContact O-CB 3.38Å; P63-A67 PolarHBondContact O-N 3.25Å
64S91.4Very high91.6Very high42 Ų4266.1 Ų66.129%0.29435%0.345SS..Hα-helixtrans-69.7-35.5178.8-157.30000112.6S60 L61 F62 R68S60-S64 WeakPolarHBondContact O-CB 3.03Å; S60-S64 PolarHBondContact O-N 3.3Å; L61-S64 WeakPolarHBondContact O-CB 3.02Å; L61-S64 PolarHBondContact O-N 2.76Å; F62-S64 PolarHBondContact O-N 3.3Å; S64-R68 WeakPolarHBondContact O-CG 3.39Å; S64-R68 PolarHBondContact O-N 3.4Å; S64-R68 PolarHBondContact O-NH1 2.91Å; S64-R68 PolarHBondContact OG-NH1 3.15Å; S64-R68 PolarHBondContact OG-NH2 2.89Å
65L93.9Very high91.9Very high13 Ų1365.6 Ų65.67%0.06834%0.342CS..Hα-helixtrans-66.9-43172.3-66.3177.2000111.5A50 L52 L61 F62 R68 G69 I70 M89A50-L65 HydrophobicContact CB-CD1 4.3Å; A50-L65 HydrophobicContact CB-CD2 3.77Å; L52-L65 HydrophobicContact CD1-CD1 3.94Å; L52-L65 HydrophobicContact CD2-CD1 4.41Å; L61-L65 HydrophobicContact CD1-CD1 4.34Å; L61-L65 HydrophobicContact CD1-CG 4.45Å; L61-L65 HydrophobicContact CG-CD1 4.4Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 3.3Å; F62-L65 HydrophobicContact CD1-CD1 4.17Å; F62-L65 PolarHBondContact O-N 3.37Å; F62-L65 VanDerWaalsContact O-N 3.12Å; L65-R68 PolarHBondContact O-N 2.85Å; L65-G69 PolarHBondContact O-N 3.43Å; L65-I70 HydrophobicContact CB-CB 4.35Å; L65-I70 HydrophobicContact CD2-CD1 3.58Å; L65-I70 PolarHBondContact O-N 3.49Å; L65-M89 HydrophobicContact CB-CE 4.35Å; L65-M89 HydrophobicContact CD1-SD 4.11Å
66Q91.4Very high92.3Very high90 Ų9062.3 Ų62.342%0.42134%0.335SS..Hα-helixtrans-66.8-39.8179.3-173.8174.2-2.300112.2F62 P63 R68 G69F62-Q66 WeakPolarHBondContact O-CB 3.38Å; F62-Q66 PolarHBondContact O-N 2.9Å; P63-Q66 PolarHBondContact O-N 3.35Å; Q66-R68 VanDerWaalsContact C-N 3.26Å; Q66-R68 PolarHBondContact O-N 2.88Å; Q66-G69 WeakPolarHBondContact O-CA 3.31Å; Q66-G69 PolarHBondContact O-N 3.47Å
67A90.1Very high92.5Very high64 Ų6453.1 Ų53.153%0.52931%0.305SS..Hα-helixtrans-57.4-41.4174.900000111.5K42 P63 G69K42-A67 WeakPolarHBondContact CE-O 3.28Å; P63-A67 WeakPolarHBondContact O-CB 3.38Å; P63-A67 PolarHBondContact O-N 3.25Å; A67-G69 PolarHBondContact O-N 3.08Å
68R92.2Very high92.6Very high36 Ų3651.6 Ų51.614%0.13629%0.287CS..THydrogen-bonded Turntrans-75.7-3.4174.8-66.9-178.9-169.795.5-0.6113.8Y40 W45 S64 L65 Q66 I70Y40-R68 VanDerWaalsContact CZ-NH2 3.29Å; Y40-R68 PolarHBondContact OH-NH2 3.5Å; W45-R68 HydrophobicContact CB-CB 4.28Å; W45-R68 WeakPolarHBondContact CB-O 3.19Å; W45-R68 HydrophobicContact CD2-CB 4.26Å; W45-R68 HydrophobicContact CD2-CG 4.41Å; W45-R68 HydrophobicContact CG-CB 3.82Å; W45-R68 HydrophobicContact CG-CG 4.31Å; S64-R68 WeakPolarHBondContact O-CG 3.39Å; S64-R68 PolarHBondContact O-N 3.4Å; S64-R68 PolarHBondContact O-NH1 2.91Å; S64-R68 PolarHBondContact OG-NH1 3.15Å; S64-R68 PolarHBondContact OG-NH2 2.89Å; L65-R68 PolarHBondContact O-N 2.85Å; Q66-R68 VanDerWaalsContact C-N 3.26Å; Q66-R68 PolarHBondContact O-N 2.88Å; R68-I70 VanDerWaalsContact C-N 3.26Å; R68-I70 HydrophobicContact CB-CD1 4.1Å; R68-I70 HydrophobicContact CB-CG1 4.11Å; R68-I70 PolarHBondContact O-N 3.31Å
69G93Very high92.5Very high23 Ų2357.1 Ų57.124%0.23730%0.302CS..THydrogen-bonded Turntrans69.522.5-179.300000113.9L65 Q66 A67L65-G69 PolarHBondContact O-N 3.43Å; Q66-G69 WeakPolarHBondContact O-CA 3.31Å; Q66-G69 PolarHBondContact O-N 3.47Å; A67-G69 PolarHBondContact O-N 3.08Å
70I95.5Very high92.3Very high10 Ų1055.6 Ų55.65%0.05128%0.281CS..  trans-71.2131.6177-66.2169.1000109.2W45 A50 L65 R68 R72 M89W45-I70 HydrophobicContact CB-CG1 4.04Å; W45-I70 HydrophobicContact CD2-CD1 4.48Å; W45-I70 HydrophobicContact CE3-CD1 4.05Å; A50-I70 HydrophobicContact CB-CG2 3.99Å; L65-I70 HydrophobicContact CB-CB 4.35Å; L65-I70 HydrophobicContact CD2-CD1 3.58Å; L65-I70 PolarHBondContact O-N 3.49Å; R68-I70 VanDerWaalsContact C-N 3.26Å; R68-I70 HydrophobicContact CB-CD1 4.1Å; R68-I70 HydrophobicContact CB-CG1 4.11Å; R68-I70 PolarHBondContact O-N 3.31Å; I70-R72 WeakPolarHBondContact CG2-O 3.05Å; I70-M89 WeakPolarHBondContact O-CE 3.37Å
71R96.6Very high92.3Very high105 Ų10553.9 Ų53.940%0.39627%0.27SS..  trans-125.1-1.7-177.4-56.2-172.8-179.2-152.4-6.3113.9N91 E93 S94R71-N91 WeakPolarHBondContact CB-O 3.48Å; R71-N91 WeakPolarHBondContact CG-O 3.49Å; R71-E93 HydrophobicContact CB-CB 4.08Å; R71-E93 HydrophobicContact CB-CG 4.03Å; R71-E93 WeakPolarHBondContact CD-OE1 3.48Å; R71-E93 IonicContact CZ-OE1 3.61Å; R71-E93 IonicContact NE-OE1 2.78Å; R71-E93 IonicContact NH1-OE1 2.75Å; R71-E93 PolarHBondContact NH1-OE1 3.49Å; R71-E93 PolarHBondContact O-N 2.8Å; R71-S94 PolarHBondContact O-N 2.98Å; R71-S94 VanDerWaalsContact O-N 3.11Å
72R98.1Very high92.2Very high115 Ų11552.1 Ų52.143%0.43426%0.26SS..EExtended strand (participates in β ladder)trans-121.8129.1-178.1-55.5-177.3178.4179.6-4.7109.1E49 A50 I70 S94E49-R72 WeakPolarHBondContact CA-O 3.48Å; E49-R72 HydrophobicContact CB-CB 4.07Å; E49-R72 HydrophobicContact CG-CB 4.16Å; A50-R72 PolarHBondContact N-O 3.05Å; I70-R72 WeakPolarHBondContact CG2-O 3.05Å; R72-S94 WeakPolarHBondContact CA-O 3.34Å
73V97.1Very high92.1Very high0 Ų051.9 Ų51.90%026%0.261CS..EExtended strand (participates in β ladder)trans-135.2132.2-176.1175.30000110.6A50 L52 I75 M89 I92 S94 N96A50-V73 HydrophobicContact CB-CG2 4.49Å; A50-V73 CarbonylContact O-C 3.51Å; A50-V73 WeakPolarHBondContact O-CA 3.4Å; L52-V73 HydrophobicContact CD1-CG1 3.58Å; L52-V73 HydrophobicContact CG-CG1 4.12Å; V73-I75 HydrophobicContact CG1-CD1 3.5Å; V73-I75 VanDerWaalsContact CG1-CD1 3.5Å; V73-I75 HydrophobicContact CG1-CG1 4.29Å; V73-M89 HydrophobicContact CG2-CE 3.77Å; V73-M89 HydrophobicContact CG2-SD 3.46Å; V73-M89 WeakPolarHBondContact CG2-SD 3.35Å; V73-I92 HydrophobicContact CB-CD1 4.47Å; V73-I92 HydrophobicContact CG2-CD1 4.48Å; V73-S94 PolarHBondContact N-O 3.22Å; V73-N96 PolarHBondContact O-N 3.41Å
74Q97.3Very high92Very high30 Ų3053.1 Ų53.114%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-106.9127.2164.7-167.2175.817.300110.1E49 A50 K51 L52 L76 N96E49-Q74 HydrophobicContact CG-CB 4.27Å; E49-Q74 WeakPolarHBondContact OE1-CB 3.46Å; A50-Q74 PolarHBondContact O-N 2.94Å; K51-Q74 CarbonylContact C-O 3.53Å; K51-Q74 WeakPolarHBondContact CA-O 3.43Å; K51-Q74 VanDerWaalsContact CE-OE1 3.28Å; K51-Q74 HydrophobicContact CG-CB 4.16Å; L52-Q74 PolarHBondContact N-O 3.05Å; Q74-L76 HydrophobicContact CG-CD2 4.01Å; Q74-N96 CarbonylContact C-O 3.46Å; Q74-N96 VanDerWaalsContact CA-O 3.31Å; Q74-N96 WeakPolarHBondContact CA-O 3.41Å; Q74-N96 HydrophobicContact CB-CB 4.2Å; Q74-N96 HydrophobicContact CG-CB 4.04Å
75I95.8Very high92.1Very high0 Ų051.1 Ų51.10%024%0.243CC..EExtended strand (participates in β ladder)trans-96.6111.7170.8-52.7-53.8000108.6L52 L54 V73 L78 V85 L95 N96 L97 C100L52-I75 HydrophobicContact CB-CD1 4Å; L52-I75 HydrophobicContact CD1-CD1 4.12Å; L54-I75 HydrophobicContact CD1-CD1 3.63Å; L54-I75 HydrophobicContact CD1-CG1 4.36Å; L54-I75 HydrophobicContact CD1-CG2 4.3Å; L54-I75 HydrophobicContact CG-CD1 4.08Å; L54-I75 HydrophobicContact CG-CG2 4.45Å; V73-I75 HydrophobicContact CG1-CD1 3.5Å; V73-I75 VanDerWaalsContact CG1-CD1 3.5Å; V73-I75 HydrophobicContact CG1-CG1 4.29Å; I75-L78 HydrophobicContact CG2-CB 3.91Å; I75-L78 HydrophobicContact CG2-CD1 4.17Å; I75-V85 HydrophobicContact CD1-CG2 4.14Å; I75-L95 HydrophobicContact CG1-CD1 4.23Å; I75-N96 PolarHBondContact N-O 2.98Å; I75-L97 HydrophobicContact CB-CD2 3.77Å; I75-L97 HydrophobicContact CG1-CD2 3.77Å; I75-L97 HydrophobicContact CG2-CD2 4.34Å; I75-C100 PolarHBondContact O-SG 3.38Å; I75-C100 VanDerWaalsContact O-SG 3.42Å
76L93.2Very high92.1Very high80 Ų8051.2 Ų51.242%0.41924%0.243SC..EExtended strand (participates in β ladder)trans-85.4-22.5179-61.2178.5000112.5K51 L52 H53 Q74K51-L76 HydrophobicContact CB-CD1 3.98Å; K51-L76 HydrophobicContact CB-CG 4.34Å; L52-L76 PolarHBondContact O-N 3.27Å; H53-L76 VanDerWaalsContact CE1-CB 3.43Å; H53-L76 WeakPolarHBondContact CE1-CB 3.35Å; Q74-L76 HydrophobicContact CG-CD2 4.01Å
77S88.8Confident92Very high28 Ų2853.6 Ų53.620%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-157.4119.1177.4-178.20000109.3H53 L54H53-S77 WeakPolarHBondContact ND1-CB 3.4Å; L54-S77 PolarHBondContact N-O 3.15Å
78L86.6Confident92Very high36 Ų3651.5 Ų51.519%0.18824%0.239CC..EExtended strand (participates in β ladder)trans-107.7105.7179.7-172.567.7000109.5L54 I75 R80 L82 L103L54-L78 HydrophobicContact CB-CD1 4.44Å; L54-L78 HydrophobicContact CD1-CD1 3.95Å; I75-L78 HydrophobicContact CG2-CB 3.91Å; I75-L78 HydrophobicContact CG2-CD1 4.17Å; L78-R80 WeakPolarHBondContact CD1-O 3.29Å; L78-R80 WeakPolarHBondContact CG-O 3.33Å; L78-L82 HydrophobicContact CD2-CB 4.26Å; L78-L103 HydrophobicContact CD2-CD1 3.92Å
79R85.7Confident92.1Very high194 Ų19450 Ų5073%0.73223%0.234SC*.  trans-110.4-9.4168.8-67.3-167.3177.8-168.7-1.6113.2L54L54-R79 PolarHBondContact O-N 2.77Å; L54-R79 VanDerWaalsContact O-N 3.12Å
80R84.3Confident91.9Very high85 Ų8552 Ų5232%0.32125%0.248SC..SBendtrans-109.9168.8177-60.4-162.173.6-157.32.8109.9L78 L82 Y84L78-R80 WeakPolarHBondContact CD1-O 3.29Å; L78-R80 WeakPolarHBondContact CG-O 3.33Å; R80-L82 PolarHBondContact O-N 3.03Å; R80-Y84 HydrophobicContact CB-CD2 4.3Å; R80-Y84 PolarHBondContact NH2-OH 2.76Å; R80-Y84 VanDerWaalsContact NH2-OH 3.14Å
81S89Confident91.8Very high43 Ų4355.5 Ų55.530%0.30127%0.267SS..  trans-57.1137.9172.7-178.30000111.3S83 Y84S81-S83 WeakPolarHBondContact CB-OG 3.23Å; S81-S83 PolarHBondContact O-N 3.24Å; S81-S83 WeakPolarHBondContact OG-CB 3.44Å; S81-S83 PolarHBondContact OG-N 3.35Å; S81-S83 VanDerWaalsContact OG-N 3.16Å; S81-S83 PolarHBondContact OG-OG 3.47Å; S81-Y84 WeakPolarHBondContact O-CD2 3.43Å; S81-Y84 PolarHBondContact O-N 3.3Å
82L92Very high91.8Very high1 Ų150.5 Ų50.51%0.00525%0.248CC..THydrogen-bonded Turntrans-67.1-21.1172.7-177.666.9000111.9L78 R80 Y84 V85 I86 L95 L97 L108 A111L78-L82 HydrophobicContact CD2-CB 4.26Å; R80-L82 PolarHBondContact O-N 3.03Å; L82-Y84 PolarHBondContact O-N 3.32Å; L82-Y84 VanDerWaalsContact O-N 3.15Å; L82-V85 HydrophobicContact CD1-CB 4.2Å; L82-V85 HydrophobicContact CD1-CG2 4.04Å; L82-V85 WeakPolarHBondContact O-CB 3.49Å; L82-V85 PolarHBondContact O-N 3.46Å; L82-I86 PolarHBondContact O-N 2.93Å; L82-L95 HydrophobicContact CD1-CD2 4.27Å; L82-L95 HydrophobicContact CD2-CD2 4.39Å; L82-L97 HydrophobicContact CD1-CD1 4.2Å; L82-L97 HydrophobicContact CD1-CD2 3.77Å; L82-L97 HydrophobicContact CD2-CD1 3.69Å; L82-L108 HydrophobicContact CD2-CD2 3.52Å; L82-A111 HydrophobicContact CB-CB 3.76Å; L82-A111 HydrophobicContact CD2-CB 3.81Å; L82-A111 HydrophobicContact CG-CB 3.77Å
83S91.3Very high91.7Very high18 Ų1848 Ų4813%0.12624%0.241CC..Hα-helixtrans-55.2-33.2176.964.70000113.2S81 V85 I86 Q87S81-S83 WeakPolarHBondContact CB-OG 3.23Å; S81-S83 PolarHBondContact O-N 3.24Å; S81-S83 WeakPolarHBondContact OG-CB 3.44Å; S81-S83 PolarHBondContact OG-N 3.35Å; S81-S83 VanDerWaalsContact OG-N 3.16Å; S81-S83 PolarHBondContact OG-OG 3.47Å; S83-V85 VanDerWaalsContact C-N 3.26Å; S83-V85 PolarHBondContact O-N 2.89Å; S83-I86 PolarHBondContact O-N 2.89Å; S83-Q87 WeakPolarHBondContact O-CB 3.31Å; S83-Q87 VanDerWaalsContact O-CG 3.29Å; S83-Q87 WeakPolarHBondContact O-CG 3.39Å; S83-Q87 PolarHBondContact O-N 3.16Å
84Y89.5Confident91.8Very high103 Ų10349.2 Ų49.240%0.40425%0.249SC..Hα-helixtrans-61.5-33.5176.5-70-68.9000113F62 R80 S81 L82 G88F62-Y84 WeakPolarHBondContact CE2-O 3.47Å; R80-Y84 HydrophobicContact CB-CD2 4.3Å; R80-Y84 PolarHBondContact NH2-OH 2.76Å; R80-Y84 VanDerWaalsContact NH2-OH 3.14Å; S81-Y84 WeakPolarHBondContact O-CD2 3.43Å; S81-Y84 PolarHBondContact O-N 3.3Å; L82-Y84 PolarHBondContact O-N 3.32Å; L82-Y84 VanDerWaalsContact O-N 3.15Å; Y84-G88 PolarHBondContact O-N 2.95Å
85V92.7Very high91.9Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-70.8-49.2177.4-178.20000109.7L54 F62 I75 L82 S83 G88 M89 I92 L95L54-V85 HydrophobicContact CD1-CG2 3.39Å; F62-V85 HydrophobicContact CE1-CB 4.26Å; F62-V85 HydrophobicContact CE1-CG1 4.25Å; F62-V85 HydrophobicContact CE1-CG2 4.02Å; F62-V85 HydrophobicContact CZ-CB 4.27Å; F62-V85 HydrophobicContact CZ-CG2 3.77Å; I75-V85 HydrophobicContact CD1-CG2 4.14Å; L82-V85 HydrophobicContact CD1-CB 4.2Å; L82-V85 HydrophobicContact CD1-CG2 4.04Å; L82-V85 WeakPolarHBondContact O-CB 3.49Å; L82-V85 PolarHBondContact O-N 3.46Å; S83-V85 VanDerWaalsContact C-N 3.26Å; S83-V85 PolarHBondContact O-N 2.89Å; V85-G88 PolarHBondContact O-N 3.45Å; V85-M89 WeakPolarHBondContact O-CB 3.29Å; V85-M89 PolarHBondContact O-N 3.28Å; V85-M89 VanDerWaalsContact O-N 3.12Å; V85-I92 HydrophobicContact CG1-CD1 4.13Å; V85-L95 HydrophobicContact CG1-CD1 4.22Å
86I93.4Very high92Very high15 Ų1548.8 Ų48.88%0.07725%0.248CC..Hα-helixtrans-64-46.3-177.1-59.1-50.6000111.1L82 S83 M89 L95 A111 F112 I116L82-I86 PolarHBondContact O-N 2.93Å; S83-I86 PolarHBondContact O-N 2.89Å; I86-M89 PolarHBondContact O-N 3.44Å; I86-L95 HydrophobicContact CD1-CD2 3.86Å; I86-A111 HydrophobicContact CG1-CB 4.14Å; I86-F112 HydrophobicContact CD1-CE1 3.94Å; I86-F112 HydrophobicContact CG1-CD1 4.43Å; I86-F112 HydrophobicContact CG1-CE1 4.17Å; I86-I116 HydrophobicContact CD1-CD1 4.27Å; I86-I116 HydrophobicContact CG1-CD1 4.34Å; I86-I116 HydrophobicContact CG2-CD1 3.41Å; I86-I116 VanDerWaalsContact CG2-CD1 3.41Å; I86-I116 HydrophobicContact CG2-CG1 4.03Å
87Q90.4Very high92.2Very high139 Ų13945 Ų4565%0.6523%0.228SC*.Hα-helixtrans-70.5-34.8179-67.8172.2-3.500112.2S83 M89S83-Q87 WeakPolarHBondContact O-CB 3.31Å; S83-Q87 VanDerWaalsContact O-CG 3.29Å; S83-Q87 WeakPolarHBondContact O-CG 3.39Å; S83-Q87 PolarHBondContact O-N 3.16Å; Q87-M89 VanDerWaalsContact C-N 3.29Å; Q87-M89 PolarHBondContact O-N 3.01Å
88G90.7Very high92.6Very high20 Ų2045.4 Ų45.421%0.20623%0.231CC..Hα-helixtrans-75-15179.400000114.3F62 Y84 V85F62-G88 WeakPolarHBondContact CB-O 3.31Å; Y84-G88 PolarHBondContact O-N 2.95Å; V85-G88 PolarHBondContact O-N 3.45Å
89M92.7Very high92.9Very high5 Ų544.7 Ų44.73%0.02523%0.233CC..  trans-133.879.3-173.2-62.8-166.966.900112.6F62 L65 I70 V73 V85 I86 Q87 N91 I92F62-M89 HydrophobicContact CB-CG 4.29Å; F62-M89 HydrophobicContact CD1-CG 3.82Å; F62-M89 HydrophobicContact CD1-SD 3.96Å; F62-M89 HydrophobicContact CG-CG 4.4Å; L65-M89 HydrophobicContact CB-CE 4.35Å; L65-M89 HydrophobicContact CD1-SD 4.11Å; I70-M89 WeakPolarHBondContact O-CE 3.37Å; V73-M89 HydrophobicContact CG2-CE 3.77Å; V73-M89 HydrophobicContact CG2-SD 3.46Å; V73-M89 WeakPolarHBondContact CG2-SD 3.35Å; V85-M89 WeakPolarHBondContact O-CB 3.29Å; V85-M89 PolarHBondContact O-N 3.28Å; V85-M89 VanDerWaalsContact O-N 3.12Å; I86-M89 PolarHBondContact O-N 3.44Å; Q87-M89 VanDerWaalsContact C-N 3.29Å; Q87-M89 PolarHBondContact O-N 3.01Å; M89-N91 PolarHBondContact O-N 3.29Å; M89-N91 VanDerWaalsContact O-N 3.11Å; M89-I92 HydrophobicContact CB-CB 4.03Å; M89-I92 WeakPolarHBondContact O-CB 3.42Å; M89-I92 WeakPolarHBondContact O-CG2 3.24Å; M89-I92 PolarHBondContact O-N 2.98Å; M89-I92 VanDerWaalsContact O-N 3.13Å
90A88.9Confident93.2Very high65 Ų6536 Ų3654%0.53720%0.202SC..THydrogen-bonded Turntrans-56-32.2-178.800000114.4S118A90-S118 WeakPolarHBondContact O-CB 3.39Å; A90-S118 PolarHBondContact O-OG 3.46Å
91N93.2Very high93.4Very high83 Ų8338 Ų3844%0.44421%0.21SC..THydrogen-bonded Turntrans-104.326.7-177.6-64-43.8000113.2R71 M89 E93R71-N91 WeakPolarHBondContact CB-O 3.48Å; R71-N91 WeakPolarHBondContact CG-O 3.49Å; M89-N91 PolarHBondContact O-N 3.29Å; M89-N91 VanDerWaalsContact O-N 3.11Å; N91-E93 PolarHBondContact O-N 3.34Å
92I96.4Very high93.4Very high0 Ų042.2 Ų42.20%023%0.229CC..  trans-63.6126.9176.8-168.6168.3000110.5V73 V85 M89 L95 I116 S118 L119V73-I92 HydrophobicContact CB-CD1 4.47Å; V73-I92 HydrophobicContact CG2-CD1 4.48Å; V85-I92 HydrophobicContact CG1-CD1 4.13Å; M89-I92 HydrophobicContact CB-CB 4.03Å; M89-I92 WeakPolarHBondContact O-CB 3.42Å; M89-I92 WeakPolarHBondContact O-CG2 3.24Å; M89-I92 PolarHBondContact O-N 2.98Å; M89-I92 VanDerWaalsContact O-N 3.13Å; I92-L95 HydrophobicContact CD1-CB 4.01Å; I92-L95 HydrophobicContact CD1-CD1 4.22Å; I92-I116 HydrophobicContact CG2-CG2 4.37Å; I92-S118 CarbonylContact O-C 3.5Å; I92-S118 VanDerWaalsContact O-CB 3.29Å; I92-S118 WeakPolarHBondContact O-CB 3.41Å; I92-S118 VanDerWaalsContact O-O 3.11Å; I92-S118 PolarHBondContact O-OG 3.37Å; I92-L119 HydrophobicContact CD1-CD1 4.49Å; I92-L119 HydrophobicContact CG1-CD1 4.05Å; I92-L119 HydrophobicContact CG2-CD1 4.14Å; I92-L119 WeakPolarHBondContact O-CA 3.49Å; I92-L119 PolarHBondContact O-N 2.78Å
93E97.8Very high93.5Very high64 Ų6442.4 Ų42.430%0.29923%0.23SC..  trans-108.1-30.6179.7-72.8173.5-173.300111.9R71 N91 R120 A121R71-E93 HydrophobicContact CB-CB 4.08Å; R71-E93 HydrophobicContact CB-CG 4.03Å; R71-E93 WeakPolarHBondContact CD-OE1 3.48Å; R71-E93 IonicContact CZ-OE1 3.61Å; R71-E93 IonicContact NE-OE1 2.78Å; R71-E93 IonicContact NH1-OE1 2.75Å; R71-E93 PolarHBondContact NH1-OE1 3.49Å; R71-E93 PolarHBondContact O-N 2.8Å; N91-E93 PolarHBondContact O-N 3.34Å; E93-R120 WeakPolarHBondContact O-CA 3.49Å; E93-R120 PolarHBondContact O-N 2.95Å; E93-A121 PolarHBondContact O-N 2.97Å
94S98.6Very high93.6Very high24 Ų2443.9 Ų43.917%0.16824%0.239CC..EExtended strand (participates in β ladder)trans-135.6128.8178.2-176.70000111.4R71 R72 V73 A121R71-S94 PolarHBondContact O-N 2.98Å; R71-S94 VanDerWaalsContact O-N 3.11Å; R72-S94 WeakPolarHBondContact CA-O 3.34Å; V73-S94 PolarHBondContact N-O 3.22Å; S94-A121 WeakPolarHBondContact CA-O 3.36Å
95L98.2Very high94Very high0 Ų040.6 Ų40.60%023%0.228CC..EExtended strand (participates in β ladder)trans-124.6114.4174.8178.658.9000109.7I75 L82 V85 I86 I92 L97 L119 A121 L122 N123I75-L95 HydrophobicContact CG1-CD1 4.23Å; L82-L95 HydrophobicContact CD1-CD2 4.27Å; L82-L95 HydrophobicContact CD2-CD2 4.39Å; V85-L95 HydrophobicContact CG1-CD1 4.22Å; I86-L95 HydrophobicContact CD1-CD2 3.86Å; I92-L95 HydrophobicContact CD1-CB 4.01Å; I92-L95 HydrophobicContact CD1-CD1 4.22Å; L95-L97 HydrophobicContact CD1-CD1 4.5Å; L95-L97 HydrophobicContact CD1-CG 4.24Å; L95-L97 HydrophobicContact CD2-CD1 3.89Å; L95-L97 HydrophobicContact CG-CD1 3.94Å; L95-L97 HydrophobicContact CG-CG 4.09Å; L95-L119 HydrophobicContact CB-CD1 3.85Å; L95-A121 PolarHBondContact N-O 2.94Å; L95-L122 HydrophobicContact CB-CD1 4.19Å; L95-L122 HydrophobicContact CD2-CD1 4.22Å; L95-L122 HydrophobicContact CG-CD1 4.21Å; L95-L122 WeakPolarHBondContact O-CA 3.43Å; L95-N123 PolarHBondContact O-N 3.11Å
96N98.4Very high94.1Very high21 Ų2146.2 Ų46.211%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-108.9112.9178.8-177.2-1.9000110.3V73 Q74 I75 S98 N123V73-N96 PolarHBondContact O-N 3.41Å; Q74-N96 CarbonylContact C-O 3.46Å; Q74-N96 VanDerWaalsContact CA-O 3.31Å; Q74-N96 WeakPolarHBondContact CA-O 3.41Å; Q74-N96 HydrophobicContact CB-CB 4.2Å; Q74-N96 HydrophobicContact CG-CB 4.04Å; I75-N96 PolarHBondContact N-O 2.98Å; N96-S98 VanDerWaalsContact OD1-CB 3.23Å; N96-S98 WeakPolarHBondContact OD1-CB 3.19Å; N96-S98 PolarHBondContact OD1-N 2.97Å; N96-S98 PolarHBondContact OD1-OG 3.29Å; N96-N123 HydrophobicContact CB-CB 4.33Å
97L97.4Very high94.2Very high0 Ų046.5 Ų46.50%026%0.264CS..  trans-11415178.9-69157.6000111I75 L82 L95 G99 C100 L103 L108 L122 N123 L124 C127I75-L97 HydrophobicContact CB-CD2 3.77Å; I75-L97 HydrophobicContact CG1-CD2 3.77Å; I75-L97 HydrophobicContact CG2-CD2 4.34Å; L82-L97 HydrophobicContact CD1-CD1 4.2Å; L82-L97 HydrophobicContact CD1-CD2 3.77Å; L82-L97 HydrophobicContact CD2-CD1 3.69Å; L95-L97 HydrophobicContact CD1-CD1 4.5Å; L95-L97 HydrophobicContact CD1-CG 4.24Å; L95-L97 HydrophobicContact CD2-CD1 3.89Å; L95-L97 HydrophobicContact CG-CD1 3.94Å; L95-L97 HydrophobicContact CG-CG 4.09Å; L97-G99 PolarHBondContact O-N 3.37Å; L97-C100 WeakPolarHBondContact O-CB 3.26Å; L97-C100 PolarHBondContact O-N 2.86Å; L97-C100 PolarHBondContact O-SG 2.95Å; L97-C100 VanDerWaalsContact O-SG 3.37Å; L97-L103 HydrophobicContact CB-CD2 4.31Å; L97-L103 HydrophobicContact CD1-CD2 4.04Å; L97-L108 HydrophobicContact CD1-CD2 4.43Å; L97-L122 HydrophobicContact CD1-CD1 4.3Å; L97-N123 CarbonylContact C-O 3.29Å; L97-N123 WeakPolarHBondContact CA-O 3.38Å; L97-N123 WeakPolarHBondContact CB-O 3.49Å; L97-N123 PolarHBondContact N-O 2.9Å; L97-L124 HydrophobicContact CB-CD2 4.01Å; L97-L124 HydrophobicContact CD1-CD2 3.73Å; L97-C127 PolarHBondContact O-SG 3.27Å; L97-C127 VanDerWaalsContact O-SG 3.33Å
98S96.9Very high94.4Very high37 Ų3739.9 Ų39.926%0.25923%0.233SC..THydrogen-bonded Turntrans-53.9130.1-17669.80000111.3N96 C100 N123 S125N96-S98 VanDerWaalsContact OD1-CB 3.23Å; N96-S98 WeakPolarHBondContact OD1-CB 3.19Å; N96-S98 PolarHBondContact OD1-N 2.97Å; N96-S98 PolarHBondContact OD1-OG 3.29Å; S98-C100 VanDerWaalsContact C-N 3.28Å; S98-C100 PolarHBondContact O-N 2.79Å; S98-N123 PolarHBondContact N-O 3.22Å; S98-S125 CarbonylContact C-O 3.54Å; S98-S125 WeakPolarHBondContact CA-O 3.42Å
99G92.7Very high94.7Very high22 Ų2239.5 Ų39.523%0.22723%0.229CC..THydrogen-bonded Turntrans75.89.7-178.900000114.8L97 Y101 S125L97-G99 PolarHBondContact O-N 3.37Å; G99-Y101 WeakPolarHBondContact O-CD2 3.31Å; G99-Y101 WeakPolarHBondContact O-CE2 3.39Å; G99-Y101 PolarHBondContact O-N 3.18Å; G99-S125 PolarHBondContact N-O 2.68Å
100C92.5Very high94.8Very high11 Ų1145.1 Ų45.17%0.07426%0.256CS..  trans-74.575.2166.4-71.70000110.1I75 L97 S98 N102 L103 C127I75-C100 PolarHBondContact O-SG 3.38Å; I75-C100 VanDerWaalsContact O-SG 3.42Å; L97-C100 WeakPolarHBondContact O-CB 3.26Å; L97-C100 PolarHBondContact O-N 2.86Å; L97-C100 PolarHBondContact O-SG 2.95Å; L97-C100 VanDerWaalsContact O-SG 3.37Å; S98-C100 VanDerWaalsContact C-N 3.28Å; S98-C100 PolarHBondContact O-N 2.79Å; C100-N102 PolarHBondContact O-N 3.4Å; C100-N102 VanDerWaalsContact O-N 3.13Å; C100-L103 HydrophobicContact CB-CB 4.12Å; C100-L103 VanDerWaalsContact O-CB 3.23Å; C100-L103 WeakPolarHBondContact O-CB 3.31Å; C100-L103 PolarHBondContact O-N 3.48Å; C100-C127 PolarHBondContact O-SG 3.22Å
101Y89.4Confident95Very high127 Ų12742.3 Ų42.350%0.49823%0.232SC..THydrogen-bonded Turntrans-61-23-172.4-56.8-71.6000115.2G99 L126 Q129G99-Y101 WeakPolarHBondContact O-CD2 3.31Å; G99-Y101 WeakPolarHBondContact O-CE2 3.39Å; G99-Y101 PolarHBondContact O-N 3.18Å; Y101-L126 VanDerWaalsContact CD1-O 3.25Å; Y101-L126 WeakPolarHBondContact CD1-O 3.33Å; Y101-L126 HydrophobicContact CE1-CB 3.9Å; Y101-Q129 PolarHBondContact O-NE2 3.29Å
102N88.6Confident95.2Very high131 Ų13138.3 Ų38.370%0.70121%0.211SC*.THydrogen-bonded Turntrans-91.93.2178.3-64.9-14.1000113.1C100 T104C100-N102 PolarHBondContact O-N 3.4Å; C100-N102 VanDerWaalsContact O-N 3.13Å; N102-T104 PolarHBondContact O-N 3.05Å
103L93.1Very high95.1Very high6 Ų641.9 Ų41.93%0.03123%0.232CC..  trans-73.7118.4176.9-177.965.1000109.7L78 L97 C100 L108 L124 C127 Q129 I130L78-L103 HydrophobicContact CD2-CD1 3.92Å; L97-L103 HydrophobicContact CB-CD2 4.31Å; L97-L103 HydrophobicContact CD1-CD2 4.04Å; C100-L103 HydrophobicContact CB-CB 4.12Å; C100-L103 VanDerWaalsContact O-CB 3.23Å; C100-L103 WeakPolarHBondContact O-CB 3.31Å; C100-L103 PolarHBondContact O-N 3.48Å; L103-L108 HydrophobicContact CD1-CD2 4.13Å; L103-L108 HydrophobicContact CD1-CG 4.1Å; L103-L108 HydrophobicContact CD2-CD1 4.29Å; L103-L108 HydrophobicContact CD2-CD2 3.92Å; L103-L108 HydrophobicContact CD2-CG 4.05Å; L103-L108 HydrophobicContact CG-CD2 4.38Å; L103-L108 HydrophobicContact CG-CG 4.14Å; L103-L124 HydrophobicContact CD2-CD2 3.56Å; L103-C127 HydrophobicContact CD2-CB 4.48Å; L103-Q129 WeakPolarHBondContact O-CB 3.05Å; L103-I130 HydrophobicContact CG-CG2 4.37Å
104T95.1Very high95Very high49 Ų4945.2 Ų45.230%0.30125%0.248SC..  trans-107.5170.1179590000111.6N102 N106 G107 L108 Q129N102-T104 PolarHBondContact O-N 3.05Å; T104-N106 PolarHBondContact O-N 3.12Å; T104-G107 PolarHBondContact O-N 3.39Å; T104-G107 PolarHBondContact OG1-N 3.36Å; T104-L108 PolarHBondContact O-N 2.96Å; T104-L108 VanDerWaalsContact O-N 3.16Å; T104-Q129 HydrophobicContact CG2-CB 4.22Å
105D97.3Very high94.8Very high34 Ų3450.2 Ų50.218%0.18227%0.269CS..Hα-helixtrans-54.7-36.2170.7-62.9-38.1000112.8L108 G109 T131 S134D105-L108 PolarHBondContact O-N 3.16Å; D105-G109 WeakPolarHBondContact O-CA 3.41Å; D105-G109 PolarHBondContact O-N 3.02Å; D105-T131 PolarHBondContact OD1-N 3.2Å; D105-T131 PolarHBondContact OD1-OG1 3.29Å; D105-T131 WeakPolarHBondContact OD2-CB 3.41Å; D105-T131 WeakPolarHBondContact OD2-CG2 3.46Å; D105-T131 PolarHBondContact OD2-OG1 2.91Å; D105-S134 WeakPolarHBondContact CA-OG 3.45Å; D105-S134 VanDerWaalsContact OD1-CB 3.28Å; D105-S134 WeakPolarHBondContact OD1-CB 3.36Å; D105-S134 PolarHBondContact OD1-N 3.16Å; D105-S134 PolarHBondContact OD1-OG 3.28Å
106N95.6Very high94.7Very high118 Ų11850.8 Ų50.863%0.63127%0.272SS*.Hα-helixtrans-65-41.7175.2-71-18.3000111.6T104 L108 G109 H110T104-N106 PolarHBondContact O-N 3.12Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 2.82Å; N106-G109 PolarHBondContact O-N 3.31Å; N106-H110 PolarHBondContact O-CD2 3.21Å; N106-H110 PolarHBondContact O-N 3.35Å
107G93.8Very high94.5Very high20 Ų2051.7 Ų51.721%0.20629%0.286CS..Hα-helixtrans-60.9-41.5177.900000112.8T104T104-G107 PolarHBondContact O-N 3.39Å; T104-G107 PolarHBondContact OG1-N 3.36Å
108L96.2Very high94.4Very high0 Ų053 Ų530%030%0.295CS..Hα-helixtrans-73.9-39.7173.7-72.1-176.1000112.2L82 L97 L103 T104 D105 N106 H110 A111 F112 L124 I130 S134 I138L82-L108 HydrophobicContact CD2-CD2 3.52Å; L97-L108 HydrophobicContact CD1-CD2 4.43Å; L103-L108 HydrophobicContact CD1-CD2 4.13Å; L103-L108 HydrophobicContact CD1-CG 4.1Å; L103-L108 HydrophobicContact CD2-CD1 4.29Å; L103-L108 HydrophobicContact CD2-CD2 3.92Å; L103-L108 HydrophobicContact CD2-CG 4.05Å; L103-L108 HydrophobicContact CG-CD2 4.38Å; L103-L108 HydrophobicContact CG-CG 4.14Å; T104-L108 PolarHBondContact O-N 2.96Å; T104-L108 VanDerWaalsContact O-N 3.16Å; D105-L108 PolarHBondContact O-N 3.16Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 2.82Å; L108-H110 VanDerWaalsContact C-N 3.31Å; L108-H110 PolarHBondContact O-N 3.49Å; L108-A111 PolarHBondContact O-N 3.15Å; L108-F112 HydrophobicContact CB-CD2 4.32Å; L108-F112 HydrophobicContact CB-CE2 4.44Å; L108-F112 HydrophobicContact CD2-CD2 4.29Å; L108-F112 HydrophobicContact CD2-CE2 3.64Å; L108-F112 HydrophobicContact CD2-CZ 4.03Å; L108-F112 HydrophobicContact CG-CE2 4.44Å; L108-F112 PolarHBondContact O-N 3.05Å; L108-L124 HydrophobicContact CD1-CD1 3.95Å; L108-L124 HydrophobicContact CD1-CD2 4.06Å; L108-L124 HydrophobicContact CD2-CD2 4.31Å; L108-I130 HydrophobicContact CD1-CG2 4.02Å; L108-S134 WeakPolarHBondContact CD1-OG 3.26Å; L108-I138 HydrophobicContact CD1-CD1 4.45Å
109G95.7Very high94.5Very high12 Ų1251.2 Ų51.212%0.12428%0.282CS..Hα-helixtrans-61.1-35.5178.800000113.6D105 N106 V113D105-G109 WeakPolarHBondContact O-CA 3.41Å; D105-G109 PolarHBondContact O-N 3.02Å; N106-G109 PolarHBondContact O-N 3.31Å; G109-V113 WeakPolarHBondContact O-CG1 3.23Å
110H94.2Very high94.8Very high124 Ų12454.1 Ų54.157%0.57429%0.287SS*.Hα-helixtrans-76.1-22.1173.5-68.5-52.3000113.8N106 L108N106-H110 PolarHBondContact O-CD2 3.21Å; N106-H110 PolarHBondContact O-N 3.35Å; L108-H110 VanDerWaalsContact C-N 3.31Å; L108-H110 PolarHBondContact O-N 3.49Å
111A94.9Very high95.1Very high5 Ų554.7 Ų54.74%0.04129%0.292CS..Hα-helixtrans-89.3-37.7-179.700000112.5L82 I86 L108L82-A111 HydrophobicContact CB-CB 3.76Å; L82-A111 HydrophobicContact CD2-CB 3.81Å; L82-A111 HydrophobicContact CG-CB 3.77Å; I86-A111 HydrophobicContact CG1-CB 4.14Å; L108-A111 PolarHBondContact O-N 3.15Å
112F96Very high95.5Very high0 Ų048.8 Ų48.80%027%0.269CS..  trans-103.979.4-178.6-55.5-28.2000109.5I86 L108 I116 L122 R137 I138 Y141 L142I86-F112 HydrophobicContact CD1-CE1 3.94Å; I86-F112 HydrophobicContact CG1-CD1 4.43Å; I86-F112 HydrophobicContact CG1-CE1 4.17Å; L108-F112 HydrophobicContact CB-CD2 4.32Å; L108-F112 HydrophobicContact CB-CE2 4.44Å; L108-F112 HydrophobicContact CD2-CD2 4.29Å; L108-F112 HydrophobicContact CD2-CE2 3.64Å; L108-F112 HydrophobicContact CD2-CZ 4.03Å; L108-F112 HydrophobicContact CG-CE2 4.44Å; L108-F112 PolarHBondContact O-N 3.05Å; F112-I116 HydrophobicContact CD1-CD1 3.5Å; F112-I116 HydrophobicContact CE1-CD1 3.93Å; F112-L122 HydrophobicContact CE2-CD2 4.19Å; F112-L122 HydrophobicContact CZ-CD1 4.49Å; F112-L122 HydrophobicContact CZ-CD2 4.23Å; F112-R137 HydrophobicContact CB-CB 4.33Å; F112-I138 HydrophobicContact CD2-CG1 4.02Å; F112-I138 HydrophobicContact CE2-CG1 3.83Å; F112-Y141 HydrophobicContact CB-CD2 4.16Å; F112-Y141 WeakPolarHBondContact O-CD2 3.44Å; F112-Y141 WeakPolarHBondContact O-CE2 3.4Å; F112-L142 HydrophobicContact CD1-CD2 4.45Å; F112-L142 HydrophobicContact CD2-CD1 4.41Å; F112-L142 HydrophobicContact CE1-CD1 4.47Å; F112-L142 HydrophobicContact CE1-CD2 4.49Å; F112-L142 HydrophobicContact CE2-CD1 4.02Å; F112-L142 HydrophobicContact CZ-CD1 4.06Å
113V95.3Very high96Very high75 Ų7544.2 Ų44.246%0.45525%0.245SC..SBendtrans-111.9-13.8-179.3-63.70000113.6G109 Y141G109-V113 WeakPolarHBondContact O-CG1 3.23Å; V113-Y141 VanDerWaalsContact O-CE1 3.29Å; V113-Y141 WeakPolarHBondContact O-CE1 3.43Å; V113-Y141 PolarHBondContact O-OH 3.47Å
114Q94.9Very high96.2Very high134 Ų13444 Ų4463%0.62624%0.243SC*.SBendtrans-144.4162.4179.167.8-175.717.800109.1I116 Y141Q114-I116 PolarHBondContact O-N 3.19Å; Q114-Y141 WeakPolarHBondContact O-CB 3.26Å
115E95.8Very high96.4Very high129 Ų12942.4 Ų42.460%0.60324%0.235SC*.  trans-62131.6-178.7-169.3177.3162.900111.8Y141E115-Y141 WeakPolarHBondContact CA-O 3.5Å
116I95.5Very high96.4Very high12 Ų1244.3 Ų44.36%0.06224%0.244CC..  trans-114.375.6178.2-51.3165.2000107.7I86 I92 F112 Q114 S118 L119 Y141 L142I86-I116 HydrophobicContact CD1-CD1 4.27Å; I86-I116 HydrophobicContact CG1-CD1 4.34Å; I86-I116 HydrophobicContact CG2-CD1 3.41Å; I86-I116 VanDerWaalsContact CG2-CD1 3.41Å; I86-I116 HydrophobicContact CG2-CG1 4.03Å; I92-I116 HydrophobicContact CG2-CG2 4.37Å; F112-I116 HydrophobicContact CD1-CD1 3.5Å; F112-I116 HydrophobicContact CE1-CD1 3.93Å; Q114-I116 PolarHBondContact O-N 3.19Å; I116-S118 PolarHBondContact O-N 2.92Å; I116-S118 VanDerWaalsContact O-N 3.1Å; I116-L119 HydrophobicContact CG2-CB 3.94Å; I116-L119 PolarHBondContact O-N 3.47Å; I116-Y141 PolarHBondContact N-O 3.33Å; I116-L142 HydrophobicContact CB-CD2 3.72Å; I116-L142 HydrophobicContact CD1-CD2 3.81Å; I116-L142 HydrophobicContact CG1-CD2 4.14Å
117G93.3Very high96.3Very high40 Ų4038.7 Ų38.741%0.41221%0.214SC..THydrogen-bonded Turntrans-66.1-8.7-176.100000115R120G117-R120 PolarHBondContact O-NH1 3.18Å; G117-R120 PolarHBondContact O-NH2 2.96Å
118S96.4Very high96.3Very high26 Ų2643.1 Ų43.118%0.18223%0.228CC..THydrogen-bonded Turntrans-86.3-28.2176.447.80000113.4A90 I92 I116 R120A90-S118 WeakPolarHBondContact O-CB 3.39Å; A90-S118 PolarHBondContact O-OG 3.46Å; I92-S118 CarbonylContact O-C 3.5Å; I92-S118 VanDerWaalsContact O-CB 3.29Å; I92-S118 WeakPolarHBondContact O-CB 3.41Å; I92-S118 VanDerWaalsContact O-O 3.11Å; I92-S118 PolarHBondContact O-OG 3.37Å; I116-S118 PolarHBondContact O-N 2.92Å; I116-S118 VanDerWaalsContact O-N 3.1Å; S118-R120 PolarHBondContact O-N 2.92Å; S118-R120 PolarHBondContact O-NH1 2.78Å
119L98.2Very high96.2Very high0 Ų047.5 Ų47.50%025%0.248CC..  trans-73.7127.4-174-163.570.2000110.7I92 L95 I116 L122 L142 G144 L145I92-L119 HydrophobicContact CD1-CD1 4.49Å; I92-L119 HydrophobicContact CG1-CD1 4.05Å; I92-L119 HydrophobicContact CG2-CD1 4.14Å; I92-L119 WeakPolarHBondContact O-CA 3.49Å; I92-L119 PolarHBondContact O-N 2.78Å; L95-L119 HydrophobicContact CB-CD1 3.85Å; I116-L119 HydrophobicContact CG2-CB 3.94Å; I116-L119 PolarHBondContact O-N 3.47Å; L119-L122 HydrophobicContact CD2-CB 4.43Å; L119-L142 HydrophobicContact CB-CD2 4.47Å; L119-L142 HydrophobicContact CD2-CD1 3.87Å; L119-L142 HydrophobicContact CD2-CD2 3.94Å; L119-G144 CarbonylContact O-C 3.58Å; L119-L145 HydrophobicContact CD2-CD1 4.45Å; L119-L145 HydrophobicContact CG-CD1 4.33Å
120R98.5Very high96.2Very high84 Ų8446.9 Ų46.932%0.31724%0.242SC..  trans-116.5-30.9-178.3-61.9-72.5172.9-83.6-4.6112.1E93 G117 S118 G144 E146 V147E93-R120 WeakPolarHBondContact O-CA 3.49Å; E93-R120 PolarHBondContact O-N 2.95Å; G117-R120 PolarHBondContact O-NH1 3.18Å; G117-R120 PolarHBondContact O-NH2 2.96Å; S118-R120 PolarHBondContact O-N 2.92Å; S118-R120 PolarHBondContact O-NH1 2.78Å; R120-G144 WeakPolarHBondContact CD-O 3.42Å; R120-E146 WeakPolarHBondContact O-CA 3.46Å; R120-E146 PolarHBondContact O-N 3.11Å; R120-V147 PolarHBondContact O-N 2.81Å
121A98.8Very high96.4Very high23 Ų2342.9 Ų42.919%0.1923%0.226CC..EExtended strand (participates in β ladder)trans-129.5131.4179.500000111.4E93 S94 L95 V147E93-A121 PolarHBondContact O-N 2.97Å; S94-A121 WeakPolarHBondContact CA-O 3.36Å; L95-A121 PolarHBondContact N-O 2.94Å; A121-V147 WeakPolarHBondContact CA-O 3.43Å; A121-V147 HydrophobicContact CB-CB 3.98Å
122L98.8Very high96.6Very high2 Ų243.8 Ų43.81%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-131.9122.9176.3177.460.3000109.2L95 L97 F112 L119 L124 I138 L142 L145 V147 L148 E149L95-L122 HydrophobicContact CB-CD1 4.19Å; L95-L122 HydrophobicContact CD2-CD1 4.22Å; L95-L122 HydrophobicContact CG-CD1 4.21Å; L95-L122 WeakPolarHBondContact O-CA 3.43Å; L97-L122 HydrophobicContact CD1-CD1 4.3Å; F112-L122 HydrophobicContact CE2-CD2 4.19Å; F112-L122 HydrophobicContact CZ-CD1 4.49Å; F112-L122 HydrophobicContact CZ-CD2 4.23Å; L119-L122 HydrophobicContact CD2-CB 4.43Å; L122-L124 HydrophobicContact CD1-CD2 4.34Å; L122-L124 HydrophobicContact CD1-CG 4.14Å; L122-L124 HydrophobicContact CD2-CD1 3.85Å; L122-L124 HydrophobicContact CD2-CG 4.3Å; L122-L124 HydrophobicContact CG-CD1 4.08Å; L122-L124 HydrophobicContact CG-CG 4Å; L122-I138 HydrophobicContact CD2-CD1 3.84Å; L122-I138 HydrophobicContact CD2-CG1 3.92Å; L122-L142 HydrophobicContact CD2-CD1 3.64Å; L122-L145 HydrophobicContact CB-CD1 3.76Å; L122-L145 HydrophobicContact CB-CD2 4.19Å; L122-V147 PolarHBondContact N-O 3.24Å; L122-L148 HydrophobicContact CB-CD1 4.27Å; L122-L148 HydrophobicContact CD2-CD1 4.25Å; L122-L148 HydrophobicContact CG-CD1 4.29Å; L122-L148 WeakPolarHBondContact O-CA 3.43Å; L122-E149 PolarHBondContact O-N 3.16Å
123N98.8Very high96.7Very high36 Ų3647.4 Ų47.419%0.19326%0.256CS..EExtended strand (participates in β ladder)trans-114.8115.6175.1-172.5-19000110.7L95 N96 L97 S98 S125 E149L95-N123 PolarHBondContact O-N 3.11Å; N96-N123 HydrophobicContact CB-CB 4.33Å; L97-N123 CarbonylContact C-O 3.29Å; L97-N123 WeakPolarHBondContact CA-O 3.38Å; L97-N123 WeakPolarHBondContact CB-O 3.49Å; L97-N123 PolarHBondContact N-O 2.9Å; S98-N123 PolarHBondContact N-O 3.22Å; N123-S125 WeakPolarHBondContact OD1-CB 3.41Å; N123-S125 PolarHBondContact OD1-N 3.38Å; N123-S125 PolarHBondContact OD1-OG 3.2Å; N123-E149 HydrophobicContact CB-CB 3.94Å; N123-E149 HydrophobicContact CB-CG 4.2Å; N123-E149 WeakPolarHBondContact OD1-CB 3.37Å
124L98.3Very high96.8Very high0 Ų043.9 Ų43.90%023%0.234CC..  trans-117.917.3178.1-67168.4000111.3L97 L103 L108 L122 L126 C127 I130 I138 E149 L150 C153L97-L124 HydrophobicContact CB-CD2 4.01Å; L97-L124 HydrophobicContact CD1-CD2 3.73Å; L103-L124 HydrophobicContact CD2-CD2 3.56Å; L108-L124 HydrophobicContact CD1-CD1 3.95Å; L108-L124 HydrophobicContact CD1-CD2 4.06Å; L108-L124 HydrophobicContact CD2-CD2 4.31Å; L122-L124 HydrophobicContact CD1-CD2 4.34Å; L122-L124 HydrophobicContact CD1-CG 4.14Å; L122-L124 HydrophobicContact CD2-CD1 3.85Å; L122-L124 HydrophobicContact CD2-CG 4.3Å; L122-L124 HydrophobicContact CG-CD1 4.08Å; L122-L124 HydrophobicContact CG-CG 4Å; L124-L126 PolarHBondContact O-N 3.06Å; L124-C127 HydrophobicContact CB-CB 4.48Å; L124-C127 WeakPolarHBondContact O-CB 3.08Å; L124-C127 PolarHBondContact O-N 3.22Å; L124-C127 PolarHBondContact O-SG 3.18Å; L124-C127 VanDerWaalsContact O-SG 3.41Å; L124-I130 HydrophobicContact CB-CD1 3.89Å; L124-I130 HydrophobicContact CD1-CD1 3.92Å; L124-I130 HydrophobicContact CG-CD1 4.43Å; L124-I138 HydrophobicContact CD1-CD1 3.52Å; L124-E149 CarbonylContact C-O 3.58Å; L124-E149 PolarHBondContact N-O 3.36Å; L124-L150 HydrophobicContact CB-CD2 4.11Å; L124-L150 HydrophobicContact CD1-CD2 4.16Å; L124-C153 PolarHBondContact O-SG 2.93Å
125S98.2Very high97Very high17 Ų1737.5 Ų37.512%0.11921%0.205CC..THydrogen-bonded Turntrans-54.8137.5-178-58.20000111S98 G99 N123 C127 E149 G151S98-S125 CarbonylContact C-O 3.54Å; S98-S125 WeakPolarHBondContact CA-O 3.42Å; G99-S125 PolarHBondContact N-O 2.68Å; N123-S125 WeakPolarHBondContact OD1-CB 3.41Å; N123-S125 PolarHBondContact OD1-N 3.38Å; N123-S125 PolarHBondContact OD1-OG 3.2Å; S125-C127 PolarHBondContact O-N 3.1Å; S125-E149 PolarHBondContact N-O 3.42Å; S125-G151 CarbonylContact C-O 3.59Å; S125-G151 WeakPolarHBondContact CA-O 3.33Å; S125-G151 WeakPolarHBondContact CB-O 3.34Å; S125-G151 PolarHBondContact OG-N 3.36Å
126L96.4Very high97.1Very high74 Ų7432.2 Ų32.239%0.38719%0.185SC..THydrogen-bonded Turntrans64.410.2-177.6-47.1173.7000115Y101 L124 K128 G151Y101-L126 VanDerWaalsContact CD1-O 3.25Å; Y101-L126 WeakPolarHBondContact CD1-O 3.33Å; Y101-L126 HydrophobicContact CE1-CB 3.9Å; L124-L126 PolarHBondContact O-N 3.06Å; L126-K128 PolarHBondContact O-N 3.08Å; L126-G151 PolarHBondContact N-O 3.43Å
127C95.2Very high97.2Very high0 Ų036.3 Ų36.30%020%0.2CC..  trans-76.271.5168.1-67.60000110.5L97 C100 L103 L124 S125 Q129 I130L97-C127 PolarHBondContact O-SG 3.27Å; L97-C127 VanDerWaalsContact O-SG 3.33Å; C100-C127 PolarHBondContact O-SG 3.22Å; L103-C127 HydrophobicContact CD2-CB 4.48Å; L124-C127 HydrophobicContact CB-CB 4.48Å; L124-C127 WeakPolarHBondContact O-CB 3.08Å; L124-C127 PolarHBondContact O-N 3.22Å; L124-C127 PolarHBondContact O-SG 3.18Å; L124-C127 VanDerWaalsContact O-SG 3.41Å; S125-C127 PolarHBondContact O-N 3.1Å; C127-Q129 PolarHBondContact O-N 2.96Å; C127-I130 HydrophobicContact CB-CD1 4.32Å; C127-I130 HydrophobicContact CB-CG2 3.96Å; C127-I130 WeakPolarHBondContact O-CG1 3.04Å; C127-I130 PolarHBondContact O-N 3.41Å; C127-I130 VanDerWaalsContact O-N 3.13Å
128K92.3Very high97.5Very high113 Ų11334.4 Ų34.449%0.49118%0.18SC..THydrogen-bonded Turntrans-60.2-15.7-169.3-62.9-177.8-179.1-179.70115.9L126 N155L126-K128 PolarHBondContact O-N 3.08Å; K128-N155 PolarHBondContact O-ND2 3.12Å
129Q94.5Very high97.5Very high91 Ų9133.2 Ų33.243%0.42517%0.172SC..THydrogen-bonded Turntrans-94.4-4.7-178.4-60.7-175.612.300113.7Y101 L103 T104 C127Y101-Q129 PolarHBondContact O-NE2 3.29Å; L103-Q129 WeakPolarHBondContact O-CB 3.05Å; T104-Q129 HydrophobicContact CG2-CB 4.22Å; C127-Q129 PolarHBondContact O-N 2.96Å
130I96.4Very high97.5Very high0 Ų037.5 Ų37.50%019%0.192CC..  trans-78.1145.7173.777.3-180000110.2L103 L108 L124 C127 L150 C153 I156L103-I130 HydrophobicContact CG-CG2 4.37Å; L108-I130 HydrophobicContact CD1-CG2 4.02Å; L124-I130 HydrophobicContact CB-CD1 3.89Å; L124-I130 HydrophobicContact CD1-CD1 3.92Å; L124-I130 HydrophobicContact CG-CD1 4.43Å; C127-I130 HydrophobicContact CB-CD1 4.32Å; C127-I130 HydrophobicContact CB-CG2 3.96Å; C127-I130 WeakPolarHBondContact O-CG1 3.04Å; C127-I130 PolarHBondContact O-N 3.41Å; C127-I130 VanDerWaalsContact O-N 3.13Å; I130-L150 HydrophobicContact CD1-CD2 4.05Å; I130-C153 HydrophobicContact CD1-CB 4.32Å; I130-C153 HydrophobicContact CG1-CB 4.24Å; I130-I156 HydrophobicContact CD1-CD1 4.36Å; I130-I156 HydrophobicContact CG1-CD1 4.46Å
131T98.1Very high97.5Very high39 Ų3935.4 Ų35.424%0.23918%0.184CC..  trans-125.1-172.7177.575.30000110.6D105 S133 S134 L135 N155D105-T131 PolarHBondContact OD1-N 3.2Å; D105-T131 PolarHBondContact OD1-OG1 3.29Å; D105-T131 WeakPolarHBondContact OD2-CB 3.41Å; D105-T131 WeakPolarHBondContact OD2-CG2 3.46Å; D105-T131 PolarHBondContact OD2-OG1 2.91Å; T131-S133 PolarHBondContact O-N 3.47Å; T131-S133 VanDerWaalsContact O-N 3.1Å; T131-S133 PolarHBondContact OG1-N 3.02Å; T131-S133 PolarHBondContact OG1-OG 2.58Å; T131-S134 WeakPolarHBondContact O-CB 3.42Å; T131-S134 PolarHBondContact O-N 2.9Å; T131-L135 PolarHBondContact O-N 3.11Å; T131-N155 HydrophobicContact CG2-CB 4.08Å
132D98.5Very high97.4Very high24 Ų2434.3 Ų34.313%0.12818%0.175CC..Hα-helixtrans-56.1-23.6172.7-58-28.6000112.5S134 L135 G136 I156 T157 T159 G160 L163D132-S134 PolarHBondContact O-N 2.85Å; D132-L135 PolarHBondContact O-N 3.15Å; D132-L135 VanDerWaalsContact O-N 3.16Å; D132-G136 PolarHBondContact O-N 3.26Å; D132-I156 WeakPolarHBondContact OD1-CA 3.41Å; D132-T157 PolarHBondContact OD1-N 2.9Å; D132-T157 WeakPolarHBondContact OD2-CB 3.13Å; D132-T157 PolarHBondContact OD2-OG1 3.24Å; D132-T159 HydrophobicContact CB-CG2 4.42Å; D132-T159 WeakPolarHBondContact OD2-CB 3.46Å; D132-G160 WeakPolarHBondContact OD1-CA 3.37Å; D132-G160 PolarHBondContact OD1-N 3.37Å; D132-G160 VanDerWaalsContact OD1-N 3.11Å; D132-L163 HydrophobicContact CB-CD1 4.43Å; D132-L163 WeakPolarHBondContact O-CD1 3.46Å
133S98.4Very high97.3Very high77 Ų7737.4 Ų37.454%0.53819%0.189SC..Hα-helixtrans-61.3-42174.2-560000112.4T131 L135 G136 R137T131-S133 PolarHBondContact O-N 3.47Å; T131-S133 VanDerWaalsContact O-N 3.1Å; T131-S133 PolarHBondContact OG1-N 3.02Å; T131-S133 PolarHBondContact OG1-OG 2.58Å; S133-L135 VanDerWaalsContact C-N 3.35Å; S133-G136 PolarHBondContact O-N 3.21Å; S133-R137 PolarHBondContact O-N 3.19Å
134S98.2Very high97.3Very high0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-63.1-42.1172.8-75.10000111.8D105 L108 T131 D132 G136 R137 I138D105-S134 WeakPolarHBondContact CA-OG 3.45Å; D105-S134 VanDerWaalsContact OD1-CB 3.28Å; D105-S134 WeakPolarHBondContact OD1-CB 3.36Å; D105-S134 PolarHBondContact OD1-N 3.16Å; D105-S134 PolarHBondContact OD1-OG 3.28Å; L108-S134 WeakPolarHBondContact CD1-OG 3.26Å; T131-S134 WeakPolarHBondContact O-CB 3.42Å; T131-S134 PolarHBondContact O-N 2.9Å; D132-S134 PolarHBondContact O-N 2.85Å; S134-G136 VanDerWaalsContact C-N 3.27Å; S134-G136 PolarHBondContact O-N 3.1Å; S134-R137 PolarHBondContact O-N 3.44Å; S134-I138 WeakPolarHBondContact O-CD1 3.48Å; S134-I138 WeakPolarHBondContact O-CG1 3.47Å; S134-I138 PolarHBondContact O-N 3.26Å
135L98.4Very high97.3Very high0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-64.6-32.7177.7-65-175.7000112T131 D132 S133 I138 A139 L150 I156 G160 I164T131-L135 PolarHBondContact O-N 3.11Å; D132-L135 PolarHBondContact O-N 3.15Å; D132-L135 VanDerWaalsContact O-N 3.16Å; S133-L135 VanDerWaalsContact C-N 3.35Å; L135-I138 HydrophobicContact CD2-CD1 4.05Å; L135-I138 PolarHBondContact O-N 3.35Å; L135-A139 WeakPolarHBondContact O-CB 3.39Å; L135-A139 PolarHBondContact O-N 3.19Å; L135-L150 HydrophobicContact CD1-CD1 4.44Å; L135-L150 HydrophobicContact CD2-CD1 3.8Å; L135-L150 HydrophobicContact CD2-CD2 3.9Å; L135-I156 HydrophobicContact CD1-CB 4.47Å; L135-I156 HydrophobicContact CD1-CD1 3.97Å; L135-I156 HydrophobicContact CD1-CG1 4.1Å; L135-I156 HydrophobicContact CD1-CG2 3.59Å; L135-I156 HydrophobicContact CD2-CD1 4.44Å; L135-I156 HydrophobicContact CG-CD1 4.36Å; L135-G160 VanDerWaalsContact CD1-CA 3.43Å; L135-I164 HydrophobicContact CD1-CD1 3.86Å; L135-I164 HydrophobicContact CD1-CG1 4.37Å; L135-I164 HydrophobicContact CD2-CD1 4.09Å; L135-I164 HydrophobicContact CD2-CG1 4.43Å
136G98.1Very high97.3Very high19 Ų1937.7 Ų37.720%0.19619%0.187CC..Hα-helixtrans-59.7-46.2171.100000112.5D132 S133 S134 A139 Q140D132-G136 PolarHBondContact O-N 3.26Å; S133-G136 PolarHBondContact O-N 3.21Å; S134-G136 VanDerWaalsContact C-N 3.27Å; S134-G136 PolarHBondContact O-N 3.1Å; G136-A139 PolarHBondContact O-N 2.59Å; G136-Q140 VanDerWaalsContact O-CB 3.25Å; G136-Q140 WeakPolarHBondContact O-CB 3.45Å; G136-Q140 PolarHBondContact O-N 2.5Å
137R98.1Very high97.4Very high98 Ų9836.4 Ų36.437%0.3718%0.183SC..Hα-helixtrans-64.6-43.2176-63.4-68.7-178.5166.6-0.9111.9F112 S133 S134 Q140 Y141F112-R137 HydrophobicContact CB-CB 4.33Å; S133-R137 PolarHBondContact O-N 3.19Å; S134-R137 PolarHBondContact O-N 3.44Å; R137-Q140 PolarHBondContact O-N 3.2Å; R137-Y141 HydrophobicContact CB-CD2 4.48Å; R137-Y141 VanDerWaalsContact O-CD2 3.26Å; R137-Y141 WeakPolarHBondContact O-CD2 3.16Å; R137-Y141 PolarHBondContact O-N 2.86Å
138I98.4Very high97.6Very high0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-60.3-51.4176.5-72.4161.3000110.2L108 F112 L122 L124 S134 L135 Q140 Y141 L142 L145 L148 L168L108-I138 HydrophobicContact CD1-CD1 4.45Å; F112-I138 HydrophobicContact CD2-CG1 4.02Å; F112-I138 HydrophobicContact CE2-CG1 3.83Å; L122-I138 HydrophobicContact CD2-CD1 3.84Å; L122-I138 HydrophobicContact CD2-CG1 3.92Å; L124-I138 HydrophobicContact CD1-CD1 3.52Å; S134-I138 WeakPolarHBondContact O-CD1 3.48Å; S134-I138 WeakPolarHBondContact O-CG1 3.47Å; S134-I138 PolarHBondContact O-N 3.26Å; L135-I138 HydrophobicContact CD2-CD1 4.05Å; L135-I138 PolarHBondContact O-N 3.35Å; I138-Q140 VanDerWaalsContact C-N 3.25Å; I138-Q140 PolarHBondContact O-N 3.36Å; I138-Y141 PolarHBondContact O-N 3.44Å; I138-L142 HydrophobicContact CB-CD1 4.24Å; I138-L142 HydrophobicContact CG1-CD1 4.03Å; I138-L142 HydrophobicContact CG2-CD1 4.02Å; I138-L142 WeakPolarHBondContact O-CA 3.28Å; I138-L142 VanDerWaalsContact O-CB 3.26Å; I138-L142 WeakPolarHBondContact O-CB 3.38Å; I138-L142 PolarHBondContact O-N 3.26Å; I138-L145 HydrophobicContact CG2-CD2 4.19Å; I138-L148 HydrophobicContact CG2-CD2 4.44Å; I138-L168 HydrophobicContact CG2-CD1 4.01Å; I138-L168 HydrophobicContact CG2-CD2 4.36Å
139A97.6Very high97.9Very high0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-59.9-35.6177.700000112.4L135 G136 K143 L163 G167L135-A139 WeakPolarHBondContact O-CB 3.39Å; L135-A139 PolarHBondContact O-N 3.19Å; G136-A139 PolarHBondContact O-N 2.59Å; A139-K143 WeakPolarHBondContact O-CE 3.45Å; A139-K143 PolarHBondContact O-NZ 3.01Å; A139-L163 HydrophobicContact CB-CB 4.35Å; A139-L163 WeakPolarHBondContact CB-O 3.45Å; A139-G167 WeakPolarHBondContact O-CA 3.22Å
140Q97.5Very high98.1Very high90 Ų9028.8 Ų28.842%0.42115%0.148SC..Hα-helixtrans-74-44.4179.5-174.7176.27.700112.9G136 R137 I138 K143G136-Q140 VanDerWaalsContact O-CB 3.25Å; G136-Q140 WeakPolarHBondContact O-CB 3.45Å; G136-Q140 PolarHBondContact O-N 2.5Å; R137-Q140 PolarHBondContact O-N 3.2Å; I138-Q140 VanDerWaalsContact C-N 3.25Å; I138-Q140 PolarHBondContact O-N 3.36Å; Q140-K143 WeakPolarHBondContact O-CE 3.43Å
141Y97.8Very high98.2Very high40 Ų4029.1 Ų29.116%0.15715%0.152CC..Hα-helixtrans-110.1-13.8-166.4-62.8-65.1000115F112 V113 Q114 E115 I116 R137 I138F112-Y141 HydrophobicContact CB-CD2 4.16Å; F112-Y141 WeakPolarHBondContact O-CD2 3.44Å; F112-Y141 WeakPolarHBondContact O-CE2 3.4Å; V113-Y141 VanDerWaalsContact O-CE1 3.29Å; V113-Y141 WeakPolarHBondContact O-CE1 3.43Å; V113-Y141 PolarHBondContact O-OH 3.47Å; Q114-Y141 WeakPolarHBondContact O-CB 3.26Å; E115-Y141 WeakPolarHBondContact CA-O 3.5Å; I116-Y141 PolarHBondContact N-O 3.33Å; R137-Y141 HydrophobicContact CB-CD2 4.48Å; R137-Y141 VanDerWaalsContact O-CD2 3.26Å; R137-Y141 WeakPolarHBondContact O-CD2 3.16Å; R137-Y141 PolarHBondContact O-N 2.86Å; I138-Y141 PolarHBondContact O-N 3.44Å
142L97.7Very high98.1Very high0 Ų028 Ų280%015%0.148CC..  trans-108.152.8-176.5-53.1-175.5000111.8F112 I116 L119 L122 I138 G144 L145 L168F112-L142 HydrophobicContact CD1-CD2 4.45Å; F112-L142 HydrophobicContact CD2-CD1 4.41Å; F112-L142 HydrophobicContact CE1-CD1 4.47Å; F112-L142 HydrophobicContact CE1-CD2 4.49Å; F112-L142 HydrophobicContact CE2-CD1 4.02Å; F112-L142 HydrophobicContact CZ-CD1 4.06Å; I116-L142 HydrophobicContact CB-CD2 3.72Å; I116-L142 HydrophobicContact CD1-CD2 3.81Å; I116-L142 HydrophobicContact CG1-CD2 4.14Å; L119-L142 HydrophobicContact CB-CD2 4.47Å; L119-L142 HydrophobicContact CD2-CD1 3.87Å; L119-L142 HydrophobicContact CD2-CD2 3.94Å; L122-L142 HydrophobicContact CD2-CD1 3.64Å; I138-L142 HydrophobicContact CB-CD1 4.24Å; I138-L142 HydrophobicContact CG1-CD1 4.03Å; I138-L142 HydrophobicContact CG2-CD1 4.02Å; I138-L142 WeakPolarHBondContact O-CA 3.28Å; I138-L142 VanDerWaalsContact O-CB 3.26Å; I138-L142 WeakPolarHBondContact O-CB 3.38Å; I138-L142 PolarHBondContact O-N 3.26Å; L142-G144 PolarHBondContact O-N 3.4Å; L142-G144 VanDerWaalsContact O-N 3.12Å; L142-L145 HydrophobicContact CB-CB 4.21Å; L142-L145 VanDerWaalsContact O-CB 3.23Å; L142-L145 WeakPolarHBondContact O-CB 3.44Å; L142-L145 PolarHBondContact O-N 2.82Å; L142-L168 WeakPolarHBondContact O-CD2 3.31Å
143K96.8Very high98.1Very high68 Ų6826.8 Ų26.830%0.29614%0.142SC..THydrogen-bonded Turntrans-61.5-23.2-175.2-59.1-53.5-165.5-177.20114.6A139 Q140 G167A139-K143 WeakPolarHBondContact O-CE 3.45Å; A139-K143 PolarHBondContact O-NZ 3.01Å; Q140-K143 WeakPolarHBondContact O-CE 3.43Å; K143-G167 WeakPolarHBondContact CD-O 3.45Å
144G97.6Very high97.8Very high2 Ų224.4 Ų24.42%0.02113%0.125CC..THydrogen-bonded Turntrans-86.83.1176.500000115.2L119 R120 L142 E146L119-G144 CarbonylContact O-C 3.58Å; R120-G144 WeakPolarHBondContact CD-O 3.42Å; L142-G144 PolarHBondContact O-N 3.4Å; L142-G144 VanDerWaalsContact O-N 3.12Å; G144-E146 PolarHBondContact O-N 3.4Å
145L98.7Very high97.7Very high0 Ų027.9 Ų27.90%014%0.144CC..  trans-69.7127.8-172.4-160.573.4000111.8L119 L122 I138 L142 L148 L168 R170 L171L119-L145 HydrophobicContact CD2-CD1 4.45Å; L119-L145 HydrophobicContact CG-CD1 4.33Å; L122-L145 HydrophobicContact CB-CD1 3.76Å; L122-L145 HydrophobicContact CB-CD2 4.19Å; I138-L145 HydrophobicContact CG2-CD2 4.19Å; L142-L145 HydrophobicContact CB-CB 4.21Å; L142-L145 VanDerWaalsContact O-CB 3.23Å; L142-L145 WeakPolarHBondContact O-CB 3.44Å; L142-L145 PolarHBondContact O-N 2.82Å; L145-L148 HydrophobicContact CD2-CB 3.92Å; L145-L148 HydrophobicContact CD2-CD1 4.06Å; L145-L148 HydrophobicContact CD2-CD2 4.29Å; L145-L148 HydrophobicContact CD2-CG 4.31Å; L145-L168 HydrophobicContact CB-CD2 4.34Å; L145-L168 HydrophobicContact CD2-CD1 4.15Å; L145-R170 CarbonylContact O-C 3.53Å; L145-R170 VanDerWaalsContact O-C 3.29Å; L145-L171 WeakPolarHBondContact O-CA 3.34Å; L145-L171 PolarHBondContact O-N 2.79Å
146E98.8Very high97.6Very high57 Ų5727.9 Ų27.927%0.26614%0.144SC..  trans-109.2-28.8179.3-60.5-171.2-16100112.4R120 G144 R170 K172 S173R120-E146 WeakPolarHBondContact O-CA 3.46Å; R120-E146 PolarHBondContact O-N 3.11Å; G144-E146 PolarHBondContact O-N 3.4Å; E146-R170 WeakPolarHBondContact CA-O 3.18Å; E146-K172 WeakPolarHBondContact O-CA 3.43Å; E146-K172 PolarHBondContact O-N 3.42Å; E146-K172 IonicContact OE1-NZ 3.97Å; E146-K172 IonicContact OE2-NZ 3.85Å; E146-K172 PolarHBondContact OE2-NZ 3Å; E146-S173 PolarHBondContact O-N 3.18Å
147V98.9Very high97.7Very high47 Ų4729.1 Ų29.129%0.28515%0.148SC..EExtended strand (participates in β ladder)trans-128.8123.7-179.1-179.10000109.9R120 A121 L122 E149 S173R120-V147 PolarHBondContact O-N 2.81Å; A121-V147 WeakPolarHBondContact CA-O 3.43Å; A121-V147 HydrophobicContact CB-CB 3.98Å; L122-V147 PolarHBondContact N-O 3.24Å; V147-E149 HydrophobicContact CG1-CG 4.3Å; V147-S173 WeakPolarHBondContact CA-O 3.45Å
148L98.9Very high97.6Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-129.4115.4176.9-178.954.4000110.5L122 I138 L145 L150 I164 L168 L171 S173 L174 N175L122-L148 HydrophobicContact CB-CD1 4.27Å; L122-L148 HydrophobicContact CD2-CD1 4.25Å; L122-L148 HydrophobicContact CG-CD1 4.29Å; L122-L148 WeakPolarHBondContact O-CA 3.43Å; I138-L148 HydrophobicContact CG2-CD2 4.44Å; L145-L148 HydrophobicContact CD2-CB 3.92Å; L145-L148 HydrophobicContact CD2-CD1 4.06Å; L145-L148 HydrophobicContact CD2-CD2 4.29Å; L145-L148 HydrophobicContact CD2-CG 4.31Å; L148-L150 HydrophobicContact CD1-CD1 4.4Å; L148-L150 HydrophobicContact CD1-CD2 4.07Å; L148-L150 HydrophobicContact CD1-CG 4.04Å; L148-L150 HydrophobicContact CD2-CD1 3.85Å; L148-L150 HydrophobicContact CD2-CG 4.38Å; L148-L150 HydrophobicContact CG-CD1 3.87Å; L148-L150 HydrophobicContact CG-CD2 4.43Å; L148-L150 HydrophobicContact CG-CG 3.89Å; L148-I164 HydrophobicContact CD2-CD1 3.85Å; L148-I164 HydrophobicContact CD2-CG1 4.18Å; L148-L168 HydrophobicContact CD2-CD1 3.76Å; L148-L171 HydrophobicContact CB-CD1 3.7Å; L148-S173 PolarHBondContact N-O 3.45Å; L148-L174 HydrophobicContact CB-CD1 4.08Å; L148-L174 HydrophobicContact CD2-CD1 4.18Å; L148-L174 HydrophobicContact CG-CD1 4.1Å; L148-L174 WeakPolarHBondContact O-CA 3.45Å; L148-N175 PolarHBondContact O-N 2.94Å
149E98.9Very high97.6Very high43 Ų4329.8 Ų29.820%0.20116%0.161CC..EExtended strand (participates in β ladder)trans-107.3114.3178.7-55.2-79159.700109.9L122 N123 L124 S125 V147 N175L122-E149 PolarHBondContact O-N 3.16Å; N123-E149 HydrophobicContact CB-CB 3.94Å; N123-E149 HydrophobicContact CB-CG 4.2Å; N123-E149 WeakPolarHBondContact OD1-CB 3.37Å; L124-E149 CarbonylContact C-O 3.58Å; L124-E149 PolarHBondContact N-O 3.36Å; S125-E149 PolarHBondContact N-O 3.42Å; V147-E149 HydrophobicContact CG1-CG 4.3Å; E149-N175 WeakPolarHBondContact OE2-CB 3.45Å; E149-N175 VanDerWaalsContact OE2-CG 3.29Å; E149-N175 PolarHBondContact OE2-ND2 3.39Å
150L98.7Very high97.6Very high0 Ų029.8 Ų29.80%016%0.161CC..  trans-122.317.3-177.7-63.6165000112L124 I130 L135 L148 G152 C153 I156 I164 L174 N175 L176 C179L124-L150 HydrophobicContact CB-CD2 4.11Å; L124-L150 HydrophobicContact CD1-CD2 4.16Å; I130-L150 HydrophobicContact CD1-CD2 4.05Å; L135-L150 HydrophobicContact CD1-CD1 4.44Å; L135-L150 HydrophobicContact CD2-CD1 3.8Å; L135-L150 HydrophobicContact CD2-CD2 3.9Å; L148-L150 HydrophobicContact CD1-CD1 4.4Å; L148-L150 HydrophobicContact CD1-CD2 4.07Å; L148-L150 HydrophobicContact CD1-CG 4.04Å; L148-L150 HydrophobicContact CD2-CD1 3.85Å; L148-L150 HydrophobicContact CD2-CG 4.38Å; L148-L150 HydrophobicContact CG-CD1 3.87Å; L148-L150 HydrophobicContact CG-CD2 4.43Å; L148-L150 HydrophobicContact CG-CG 3.89Å; L150-G152 PolarHBondContact O-N 3.43Å; L150-C153 HydrophobicContact CB-CB 4.48Å; L150-C153 VanDerWaalsContact O-CB 3.24Å; L150-C153 WeakPolarHBondContact O-CB 3.11Å; L150-C153 PolarHBondContact O-N 3.05Å; L150-C153 PolarHBondContact O-SG 3.23Å; L150-I156 HydrophobicContact CB-CD1 4.07Å; L150-I156 HydrophobicContact CD1-CD1 4.01Å; L150-I156 HydrophobicContact CD2-CD1 3.78Å; L150-I156 HydrophobicContact CG-CD1 4.17Å; L150-I164 HydrophobicContact CD1-CD1 3.9Å; L150-L174 HydrophobicContact CD1-CD1 4.2Å; L150-N175 CarbonylContact C-O 3.35Å; L150-N175 WeakPolarHBondContact CA-O 3.23Å; L150-N175 WeakPolarHBondContact CB-O 3.33Å; L150-N175 PolarHBondContact N-O 3.31Å; L150-L176 HydrophobicContact CB-CD2 4.17Å; L150-L176 HydrophobicContact CD1-CD2 3.81Å; L150-C179 PolarHBondContact O-SG 3.37Å
151G98.3Very high97.7Very high8 Ų825.5 Ų25.58%0.08214%0.141CC..THydrogen-bonded Turntrans-54.3125-176.900000112.5S125 L126 C153 N175 R177S125-G151 CarbonylContact C-O 3.59Å; S125-G151 WeakPolarHBondContact CA-O 3.33Å; S125-G151 WeakPolarHBondContact CB-O 3.34Å; S125-G151 PolarHBondContact OG-N 3.36Å; L126-G151 PolarHBondContact N-O 3.43Å; G151-C153 VanDerWaalsContact C-N 3.34Å; G151-N175 PolarHBondContact N-O 2.74Å; G151-R177 CarbonylContact C-O 3.23Å; G151-R177 WeakPolarHBondContact CA-O 3.31Å
152G96.9Very high97.7Very high14 Ų1426.2 Ų26.214%0.14415%0.147CC..THydrogen-bonded Turntrans7712-179.500000115.4L150 S154 R177L150-G152 PolarHBondContact O-N 3.43Å; G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 2.94Å; G152-S154 VanDerWaalsContact O-N 3.08Å; G152-R177 PolarHBondContact N-O 3.31Å
153C96.6Very high97.7Very high0 Ų028.6 Ų28.60%016%0.16CC..  trans-80.778171.2-61.60000110.3L124 I130 L150 G151 N155 I156L124-C153 PolarHBondContact O-SG 2.93Å; I130-C153 HydrophobicContact CD1-CB 4.32Å; I130-C153 HydrophobicContact CG1-CB 4.24Å; L150-C153 HydrophobicContact CB-CB 4.48Å; L150-C153 VanDerWaalsContact O-CB 3.24Å; L150-C153 WeakPolarHBondContact O-CB 3.11Å; L150-C153 PolarHBondContact O-N 3.05Å; L150-C153 PolarHBondContact O-SG 3.23Å; G151-C153 VanDerWaalsContact C-N 3.34Å; C153-N155 PolarHBondContact O-N 3.24Å; C153-N155 VanDerWaalsContact O-N 3.11Å; C153-I156 HydrophobicContact CB-CD1 3.36Å; C153-I156 HydrophobicContact CB-CG1 3.96Å; C153-I156 PolarHBondContact O-N 3.27Å
154S92.2Very high97.7Very high27 Ų2725.3 Ų25.319%0.18915%0.146CC..THydrogen-bonded Turntrans-65.5-16.6-167.955.60000115.8G152 H181G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 2.94Å; G152-S154 VanDerWaalsContact O-N 3.08Å; S154-H181 PolarHBondContact O-CD2 3.15Å
155N96.3Very high97.7Very high73 Ų7325.2 Ų25.239%0.3915%0.145SC..THydrogen-bonded Turntrans-92.53.6-178.6-63.3-14.3000113.5K128 T131 C153K128-N155 PolarHBondContact O-ND2 3.12Å; T131-N155 HydrophobicContact CG2-CB 4.08Å; C153-N155 PolarHBondContact O-N 3.24Å; C153-N155 VanDerWaalsContact O-N 3.11Å
156I98Very high97.5Very high0 Ų032.2 Ų32.20%017%0.171CC..  trans-80.9132.1174.1-65.7174.5000109.3I130 D132 L135 L150 C153 L182I130-I156 HydrophobicContact CD1-CD1 4.36Å; I130-I156 HydrophobicContact CG1-CD1 4.46Å; D132-I156 WeakPolarHBondContact OD1-CA 3.41Å; L135-I156 HydrophobicContact CD1-CB 4.47Å; L135-I156 HydrophobicContact CD1-CD1 3.97Å; L135-I156 HydrophobicContact CD1-CG1 4.1Å; L135-I156 HydrophobicContact CD1-CG2 3.59Å; L135-I156 HydrophobicContact CD2-CD1 4.44Å; L135-I156 HydrophobicContact CG-CD1 4.36Å; L150-I156 HydrophobicContact CB-CD1 4.07Å; L150-I156 HydrophobicContact CD1-CD1 4.01Å; L150-I156 HydrophobicContact CD2-CD1 3.78Å; L150-I156 HydrophobicContact CG-CD1 4.17Å; C153-I156 HydrophobicContact CB-CD1 3.36Å; C153-I156 HydrophobicContact CB-CG1 3.96Å; C153-I156 PolarHBondContact O-N 3.27Å; I156-L182 HydrophobicContact CG2-CD2 4.34Å
157T98.3Very high97.4Very high45 Ų4529.7 Ų29.728%0.27616%0.161SC..BIsolated β-bridgetrans-116.9-176.1-179.183.40000111.5D132 T159 G160 L161 H181 L182D132-T157 PolarHBondContact OD1-N 2.9Å; D132-T157 WeakPolarHBondContact OD2-CB 3.13Å; D132-T157 PolarHBondContact OD2-OG1 3.24Å; T157-T159 PolarHBondContact O-N 2.93Å; T157-T159 PolarHBondContact OG1-N 3.01Å; T157-G160 PolarHBondContact O-N 2.89Å; T157-L161 PolarHBondContact O-N 2.77Å; T157-H181 HydrophobicContact CG2-CB 4.16Å; T157-L182 WeakPolarHBondContact O-CD2 3.32Å
158N97.8Very high97.3Very high33 Ų3327.5 Ų27.518%0.17615%0.147CC..Hα-helixtrans-56.9-30173.6-58.8-38.5000112.3G160 L161 L162 S183 V185 G186 H189N158-G160 VanDerWaalsContact C-N 3.29Å; N158-G160 PolarHBondContact O-N 2.95Å; N158-L161 PolarHBondContact O-N 3.44Å; N158-L161 VanDerWaalsContact O-N 3.16Å; N158-L162 PolarHBondContact O-N 2.8Å; N158-S183 PolarHBondContact ND2-OG 2.76Å; N158-S183 PolarHBondContact OD1-N 3.17Å; N158-S183 PolarHBondContact OD1-OG 2.84Å; N158-S183 VanDerWaalsContact OD1-OG 3.14Å; N158-V185 HydrophobicContact CB-CG1 4.42Å; N158-G186 WeakPolarHBondContact OD1-CA 3.3Å; N158-G186 PolarHBondContact OD1-N 3.37Å; N158-H189 PolarHBondContact O-CD2 3.13Å
159T97.6Very high97.1Very high78 Ų7831.7 Ų31.748%0.47917%0.167SC..Hα-helixtrans-62.1-38.6175.8-56.60000111.3D132 T157 L161 L162 L163D132-T159 HydrophobicContact CB-CG2 4.42Å; D132-T159 WeakPolarHBondContact OD2-CB 3.46Å; T157-T159 PolarHBondContact O-N 2.93Å; T157-T159 PolarHBondContact OG1-N 3.01Å; T159-L161 VanDerWaalsContact C-N 3.34Å; T159-L161 PolarHBondContact O-N 2.96Å; T159-L162 WeakPolarHBondContact O-CB 3.44Å; T159-L162 PolarHBondContact O-N 2.81Å; T159-L163 HydrophobicContact CG2-CD1 4.44Å; T159-L163 WeakPolarHBondContact O-CG 3.45Å; T159-L163 PolarHBondContact O-N 2.95Å
160G97.9Very high97.1Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-60-42.7172.900000112.9D132 L135 T157 N158 L163 I164D132-G160 WeakPolarHBondContact OD1-CA 3.37Å; D132-G160 PolarHBondContact OD1-N 3.37Å; D132-G160 VanDerWaalsContact OD1-N 3.11Å; L135-G160 VanDerWaalsContact CD1-CA 3.43Å; T157-G160 PolarHBondContact O-N 2.89Å; N158-G160 VanDerWaalsContact C-N 3.29Å; N158-G160 PolarHBondContact O-N 2.95Å; G160-L163 PolarHBondContact O-N 2.86Å; G160-I164 WeakPolarHBondContact O-CG1 3.45Å; G160-I164 PolarHBondContact O-N 3.48Å
161L98.2Very high97.1Very high0 Ų037.2 Ų37.20%019%0.186CC..Hα-helixtrans-68.2-33.8175.7-63.3-165.9000112.7T157 N158 T159 L163 I164 A165 L176 L182 G186 I187 L190T157-L161 PolarHBondContact O-N 2.77Å; N158-L161 PolarHBondContact O-N 3.44Å; N158-L161 VanDerWaalsContact O-N 3.16Å; T159-L161 VanDerWaalsContact C-N 3.34Å; T159-L161 PolarHBondContact O-N 2.96Å; L161-L163 VanDerWaalsContact C-N 3.35Å; L161-I164 HydrophobicContact CD2-CD1 4.02Å; L161-I164 PolarHBondContact O-N 3.01Å; L161-A165 VanDerWaalsContact O-CB 3.24Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 2.8Å; L161-L176 HydrophobicContact CD1-CD1 4.15Å; L161-L176 HydrophobicContact CD2-CD1 3.69Å; L161-L176 HydrophobicContact CD2-CD2 3.8Å; L161-L176 HydrophobicContact CD2-CG 4.4Å; L161-L182 HydrophobicContact CD1-CD1 4.02Å; L161-L182 HydrophobicContact CD1-CD2 3.66Å; L161-L182 HydrophobicContact CD1-CG 4.33Å; L161-L182 HydrophobicContact CD2-CD2 4.34Å; L161-L182 HydrophobicContact CG-CD2 3.68Å; L161-G186 VanDerWaalsContact CD1-C 3.47Å; L161-G186 WeakPolarHBondContact CD1-O 3.4Å; L161-I187 HydrophobicContact CD1-CD1 4.33Å; L161-L190 HydrophobicContact CB-CD2 4.41Å; L161-L190 HydrophobicContact CB-CG 4.28Å; L161-L190 HydrophobicContact CD1-CD1 3.87Å; L161-L190 HydrophobicContact CD1-CG 4.22Å; L161-L190 HydrophobicContact CD2-CD1 4.23Å; L161-L190 HydrophobicContact CD2-CD2 4.45Å
162L97.9Very high97.1Very high55 Ų5540.8 Ų40.829%0.28820%0.199SC..Hα-helixtrans-60.7-44.9171.5178.362.4000111.3N158 T159 A165 W166 H189 S196 A198N158-L162 PolarHBondContact O-N 2.8Å; T159-L162 WeakPolarHBondContact O-CB 3.44Å; T159-L162 PolarHBondContact O-N 2.81Å; L162-A165 PolarHBondContact O-N 2.88Å; L162-W166 WeakPolarHBondContact O-CB 3.31Å; L162-W166 PolarHBondContact O-N 2.89Å; L162-H189 HydrophobicContact CD1-CB 4.48Å; L162-S196 WeakPolarHBondContact CD1-OG 3.49Å; L162-A198 HydrophobicContact CD1-CB 3.68Å
163L97.5Very high97.2Very high50 Ų5040.8 Ų40.826%0.26220%0.197SC..Hα-helixtrans-64.5-42.1177.8-66.9166.2000111.6D132 A139 T159 G160 L161 W166 G167D132-L163 HydrophobicContact CB-CD1 4.43Å; D132-L163 WeakPolarHBondContact O-CD1 3.46Å; A139-L163 HydrophobicContact CB-CB 4.35Å; A139-L163 WeakPolarHBondContact CB-O 3.45Å; T159-L163 HydrophobicContact CG2-CD1 4.44Å; T159-L163 WeakPolarHBondContact O-CG 3.45Å; T159-L163 PolarHBondContact O-N 2.95Å; G160-L163 PolarHBondContact O-N 2.86Å; L161-L163 VanDerWaalsContact C-N 3.35Å; L163-W166 PolarHBondContact O-N 3.01Å; L163-G167 PolarHBondContact O-N 3.02Å
164I98.1Very high97.3Very high0 Ų040.8 Ų40.80%020%0.197CC..Hα-helixtrans-58.8-52.1173.1-74.2169.4000110.7L135 L148 L150 G160 L161 W166 G167 L168 L171 L174 L190L135-I164 HydrophobicContact CD1-CD1 3.86Å; L135-I164 HydrophobicContact CD1-CG1 4.37Å; L135-I164 HydrophobicContact CD2-CD1 4.09Å; L135-I164 HydrophobicContact CD2-CG1 4.43Å; L148-I164 HydrophobicContact CD2-CD1 3.85Å; L148-I164 HydrophobicContact CD2-CG1 4.18Å; L150-I164 HydrophobicContact CD1-CD1 3.9Å; G160-I164 WeakPolarHBondContact O-CG1 3.45Å; G160-I164 PolarHBondContact O-N 3.48Å; L161-I164 HydrophobicContact CD2-CD1 4.02Å; L161-I164 PolarHBondContact O-N 3.01Å; I164-W166 PolarHBondContact O-N 3.26Å; I164-G167 PolarHBondContact O-N 2.69Å; I164-L168 HydrophobicContact CB-CD1 4.41Å; I164-L168 HydrophobicContact CG1-CD1 4.11Å; I164-L168 HydrophobicContact CG2-CB 4.46Å; I164-L168 HydrophobicContact CG2-CD1 4.11Å; I164-L168 WeakPolarHBondContact O-CB 3.4Å; I164-L168 PolarHBondContact O-N 3.49Å; I164-L171 HydrophobicContact CG2-CD2 3.86Å; I164-L174 HydrophobicContact CD1-CD1 4.49Å; I164-L174 HydrophobicContact CG2-CD2 4.4Å; I164-L190 HydrophobicContact CB-CD2 4.43Å; I164-L190 HydrophobicContact CG2-CD2 3.76Å
165A97.5Very high97.6Very high0 Ų040.9 Ų40.90%020%0.195CC..Hα-helixtrans-60.1-29-179.600000113L161 L162 Q169 H189 L190 A198L161-A165 VanDerWaalsContact O-CB 3.24Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 2.8Å; L162-A165 PolarHBondContact O-N 2.88Å; A165-Q169 PolarHBondContact O-NE2 3.46Å; A165-H189 HydrophobicContact CB-CB 4.22Å; A165-H189 VanDerWaalsContact CB-O 3.31Å; A165-H189 WeakPolarHBondContact CB-O 3.4Å; A165-L190 HydrophobicContact CB-CD2 4.46Å; A165-A198 HydrophobicContact CB-CB 3.94Å
166W95.2Very high97.7Very high147 Ų14737.4 Ų37.456%0.55718%0.177SC*.Hα-helixtrans-78.3-47175.5179.374.6000112.3L162 L163 I164 Q169 A198L162-W166 WeakPolarHBondContact O-CB 3.31Å; L162-W166 PolarHBondContact O-N 2.89Å; L163-W166 PolarHBondContact O-N 3.01Å; I164-W166 PolarHBondContact O-N 3.26Å; W166-Q169 PolarHBondContact O-NE2 2.99Å; W166-Q169 VanDerWaalsContact O-NE2 3.08Å; W166-A198 HydrophobicContact CB-CB 4.31Å
167G95.2Very high97.7Very high4 Ų442.9 Ų42.94%0.04120%0.197CC..Hα-helixtrans-96.7-25.4-166.900000116.8A139 K143 L163 I164A139-G167 WeakPolarHBondContact O-CA 3.22Å; K143-G167 WeakPolarHBondContact CD-O 3.45Å; L163-G167 PolarHBondContact O-N 3.02Å; I164-G167 PolarHBondContact O-N 2.69Å
168L97.2Very high97.7Very high0 Ų042 Ų420%019%0.193CC..  trans-109.563.6-166.1-56-173.7000112.6I138 L142 L145 L148 I164 R170 L171I138-L168 HydrophobicContact CG2-CD1 4.01Å; I138-L168 HydrophobicContact CG2-CD2 4.36Å; L142-L168 WeakPolarHBondContact O-CD2 3.31Å; L145-L168 HydrophobicContact CB-CD2 4.34Å; L145-L168 HydrophobicContact CD2-CD1 4.15Å; L148-L168 HydrophobicContact CD2-CD1 3.76Å; I164-L168 HydrophobicContact CB-CD1 4.41Å; I164-L168 HydrophobicContact CG1-CD1 4.11Å; I164-L168 HydrophobicContact CG2-CB 4.46Å; I164-L168 HydrophobicContact CG2-CD1 4.11Å; I164-L168 WeakPolarHBondContact O-CB 3.4Å; I164-L168 PolarHBondContact O-N 3.49Å; L168-R170 PolarHBondContact O-N 2.89Å; L168-L171 HydrophobicContact CB-CB 4.17Å; L168-L171 VanDerWaalsContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CB 3.38Å; L168-L171 PolarHBondContact O-N 2.83Å
169Q95.3Very high97.7Very high88 Ų8840.4 Ų40.441%0.41118%0.184SC..THydrogen-bonded Turntrans-68.7-14.9-175.3-59.2-54-33.500114.8A165 W166 G200A165-Q169 PolarHBondContact O-NE2 3.46Å; W166-Q169 PolarHBondContact O-NE2 2.99Å; W166-Q169 VanDerWaalsContact O-NE2 3.08Å; Q169-G200 PolarHBondContact OE1-O 2.77Å; Q169-G200 VanDerWaalsContact OE1-O 3.06Å
170R97.6Very high97.5Very high158 Ų15843.9 Ų43.960%0.59619%0.189SC*.THydrogen-bonded Turntrans-97.14.3177.8-70.1-177.2169.6171.50.3113.6L145 E146 L168 K172L145-R170 CarbonylContact O-C 3.53Å; L145-R170 VanDerWaalsContact O-C 3.29Å; E146-R170 WeakPolarHBondContact CA-O 3.18Å; L168-R170 PolarHBondContact O-N 2.89Å; R170-K172 PolarHBondContact O-N 2.79Å
171L98.6Very high97.5Very high1 Ų147.8 Ų47.81%0.00521%0.207CC..  trans-67.6122.8-175.5-164.669.7000110.8L145 L148 I164 L168 L174 L204L145-L171 WeakPolarHBondContact O-CA 3.34Å; L145-L171 PolarHBondContact O-N 2.79Å; L148-L171 HydrophobicContact CB-CD1 3.7Å; I164-L171 HydrophobicContact CG2-CD2 3.86Å; L168-L171 HydrophobicContact CB-CB 4.17Å; L168-L171 VanDerWaalsContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CB 3.38Å; L168-L171 PolarHBondContact O-N 2.83Å; L171-L174 HydrophobicContact CD2-CB 3.96Å; L171-L174 HydrophobicContact CD2-CD1 4.24Å; L171-L174 HydrophobicContact CD2-CD2 4.04Å; L171-L174 HydrophobicContact CD2-CG 4.3Å; L171-L204 HydrophobicContact CB-CD1 4.49Å; L171-L204 HydrophobicContact CD2-CD1 4.21Å; L171-L204 HydrophobicContact CG-CD1 4.01Å
172K98.8Very high97.5Very high83 Ų8347.8 Ų47.836%0.36121%0.207SC..  trans-109.8-30.6179-64.6178.4-173.6158.80112.5E146 R170 E205 Q206E146-K172 WeakPolarHBondContact O-CA 3.43Å; E146-K172 PolarHBondContact O-N 3.42Å; E146-K172 IonicContact OE1-NZ 3.97Å; E146-K172 IonicContact OE2-NZ 3.85Å; E146-K172 PolarHBondContact OE2-NZ 3Å; R170-K172 PolarHBondContact O-N 2.79Å; K172-E205 CarbonylContact O-C 3.5Å; K172-E205 WeakPolarHBondContact O-CA 3.17Å; K172-E205 PolarHBondContact O-N 3.16Å; K172-Q206 PolarHBondContact O-N 3.41Å
173S98.9Very high97.5Very high15 Ų1546.4 Ų46.411%0.10520%0.202CC..EExtended strand (participates in β ladder)trans-129.9127178.2-174.80000110.8E146 V147 L148 Q206E146-S173 PolarHBondContact O-N 3.18Å; V147-S173 WeakPolarHBondContact CA-O 3.45Å; L148-S173 PolarHBondContact N-O 3.45Å; S173-Q206 WeakPolarHBondContact CA-O 3.14Å
174L98.9Very high97.6Very high0 Ų045 Ų450%019%0.194CC..EExtended strand (participates in β ladder)trans-132.6122.1177.3-179.455.5000110.2L148 L150 I164 L171 L176 L190 L204 Q206 L207 T208L148-L174 HydrophobicContact CB-CD1 4.08Å; L148-L174 HydrophobicContact CD2-CD1 4.18Å; L148-L174 HydrophobicContact CG-CD1 4.1Å; L148-L174 WeakPolarHBondContact O-CA 3.45Å; L150-L174 HydrophobicContact CD1-CD1 4.2Å; I164-L174 HydrophobicContact CD1-CD1 4.49Å; I164-L174 HydrophobicContact CG2-CD2 4.4Å; L171-L174 HydrophobicContact CD2-CB 3.96Å; L171-L174 HydrophobicContact CD2-CD1 4.24Å; L171-L174 HydrophobicContact CD2-CD2 4.04Å; L171-L174 HydrophobicContact CD2-CG 4.3Å; L174-L176 HydrophobicContact CD1-CD1 4.47Å; L174-L176 HydrophobicContact CD1-CD2 4.1Å; L174-L176 HydrophobicContact CD1-CG 4.06Å; L174-L176 HydrophobicContact CD2-CD1 3.78Å; L174-L176 HydrophobicContact CD2-CG 4.28Å; L174-L176 HydrophobicContact CG-CD1 3.89Å; L174-L176 HydrophobicContact CG-CD2 4.41Å; L174-L176 HydrophobicContact CG-CG 3.88Å; L174-L190 HydrophobicContact CD2-CD1 3.67Å; L174-L190 HydrophobicContact CD2-CD2 3.89Å; L174-L190 HydrophobicContact CD2-CG 4.45Å; L174-L204 HydrophobicContact CB-CD1 3.84Å; L174-L204 HydrophobicContact CB-CD2 4.28Å; L174-Q206 PolarHBondContact N-O 2.95Å; L174-L207 HydrophobicContact CB-CD1 4.31Å; L174-L207 HydrophobicContact CD2-CD1 4.45Å; L174-L207 HydrophobicContact CG-CD1 4.38Å; L174-L207 WeakPolarHBondContact O-CA 3.37Å; L174-T208 PolarHBondContact O-N 3.46Å
175N98.9Very high97.5Very high28 Ų2848.6 Ų48.615%0.1522%0.216CC..EExtended strand (participates in β ladder)trans-114.4118.5175.4-173.8-12.8000110.8L148 E149 L150 G151 R177 T208L148-N175 PolarHBondContact O-N 2.94Å; E149-N175 WeakPolarHBondContact OE2-CB 3.45Å; E149-N175 VanDerWaalsContact OE2-CG 3.29Å; E149-N175 PolarHBondContact OE2-ND2 3.39Å; L150-N175 CarbonylContact C-O 3.35Å; L150-N175 WeakPolarHBondContact CA-O 3.23Å; L150-N175 WeakPolarHBondContact CB-O 3.33Å; L150-N175 PolarHBondContact N-O 3.31Å; G151-N175 PolarHBondContact N-O 2.74Å; N175-R177 VanDerWaalsContact OD1-CB 3.3Å; N175-R177 WeakPolarHBondContact OD1-CB 3.45Å; N175-R177 PolarHBondContact OD1-N 2.86Å; N175-T208 WeakPolarHBondContact OD1-CG2 3.4Å
176L98.7Very high97.5Very high0 Ų048.6 Ų48.60%022%0.216CC..  trans-122.222.5-177.4-63.9162.2000111.1L150 L161 L174 S178 C179 L182 L190 L207 T208 L209 C212L150-L176 HydrophobicContact CB-CD2 4.17Å; L150-L176 HydrophobicContact CD1-CD2 3.81Å; L161-L176 HydrophobicContact CD1-CD1 4.15Å; L161-L176 HydrophobicContact CD2-CD1 3.69Å; L161-L176 HydrophobicContact CD2-CD2 3.8Å; L161-L176 HydrophobicContact CD2-CG 4.4Å; L174-L176 HydrophobicContact CD1-CD1 4.47Å; L174-L176 HydrophobicContact CD1-CD2 4.1Å; L174-L176 HydrophobicContact CD1-CG 4.06Å; L174-L176 HydrophobicContact CD2-CD1 3.78Å; L174-L176 HydrophobicContact CD2-CG 4.28Å; L174-L176 HydrophobicContact CG-CD1 3.89Å; L174-L176 HydrophobicContact CG-CD2 4.41Å; L174-L176 HydrophobicContact CG-CG 3.88Å; L176-S178 PolarHBondContact O-N 3.45Å; L176-C179 HydrophobicContact CB-CB 4.36Å; L176-C179 WeakPolarHBondContact O-CB 3.49Å; L176-C179 PolarHBondContact O-N 3.2Å; L176-C179 PolarHBondContact O-SG 2.82Å; L176-L182 HydrophobicContact CB-CD1 3.78Å; L176-L182 HydrophobicContact CD1-CD1 3.86Å; L176-L182 HydrophobicContact CD2-CD1 4.05Å; L176-L182 HydrophobicContact CG-CD1 4.1Å; L176-L190 HydrophobicContact CD1-CD1 4.16Å; L176-L207 HydrophobicContact CD1-CD1 4.32Å; L176-T208 WeakPolarHBondContact CA-O 3.43Å; L176-T208 PolarHBondContact N-O 3.22Å; L176-L209 HydrophobicContact CB-CD2 4.15Å; L176-L209 HydrophobicContact CD1-CD2 3.91Å; L176-C212 PolarHBondContact O-SG 3.46Å; L176-C212 VanDerWaalsContact O-SG 3.35Å
177R98.5Very high97.7Very high115 Ų11541.6 Ų41.643%0.43419%0.19SC..THydrogen-bonded Turntrans-45.9133.7179.3170.7176.7171.4154.5-6.5111.5G151 G152 N175 C179 T208 Q210G151-R177 CarbonylContact C-O 3.23Å; G151-R177 WeakPolarHBondContact CA-O 3.31Å; G152-R177 PolarHBondContact N-O 3.31Å; N175-R177 VanDerWaalsContact OD1-CB 3.3Å; N175-R177 WeakPolarHBondContact OD1-CB 3.45Å; N175-R177 PolarHBondContact OD1-N 2.86Å; R177-C179 PolarHBondContact O-N 2.73Å; R177-C179 VanDerWaalsContact O-N 3.12Å; R177-T208 HydrophobicContact CB-CG2 4.24Å; R177-Q210 CarbonylContact C-O 3.51Å; R177-Q210 VanDerWaalsContact CA-O 3.27Å; R177-Q210 WeakPolarHBondContact CA-O 3.42Å; R177-Q210 HydrophobicContact CB-CB 4.28Å; R177-Q210 HydrophobicContact CG-CB 4.01Å; R177-Q210 HydrophobicContact CG-CG 4.09Å
178S97.5Very high97.8Very high26 Ų2641.4 Ų41.418%0.18219%0.188CC..THydrogen-bonded Turntrans56.523.2177.4-56.10000114.5L176 R180 Q210 D211L176-S178 PolarHBondContact O-N 3.45Å; S178-R180 VanDerWaalsContact C-N 3.3Å; S178-R180 PolarHBondContact O-N 3.23Å; S178-Q210 PolarHBondContact N-O 2.91Å; S178-D211 WeakPolarHBondContact CB-OD2 3.24Å; S178-D211 PolarHBondContact OG-OD2 3.37Å
179C97.4Very high97.8Very high0 Ų042.3 Ų42.30%019%0.192CC..  trans-80.677.1169.4-66.30000110L150 L176 R177 H181 L182L150-C179 PolarHBondContact O-SG 3.37Å; L176-C179 HydrophobicContact CB-CB 4.36Å; L176-C179 WeakPolarHBondContact O-CB 3.49Å; L176-C179 PolarHBondContact O-N 3.2Å; L176-C179 PolarHBondContact O-SG 2.82Å; R177-C179 PolarHBondContact O-N 2.73Å; R177-C179 VanDerWaalsContact O-N 3.12Å; C179-H181 PolarHBondContact O-N 2.94Å; C179-L182 HydrophobicContact CB-CD1 3.43Å; C179-L182 VanDerWaalsContact CB-CD1 3.43Å; C179-L182 HydrophobicContact CB-CG 3.73Å; C179-L182 WeakPolarHBondContact O-CB 3.38Å; C179-L182 VanDerWaalsContact O-CG 3.3Å; C179-L182 WeakPolarHBondContact O-CG 3.5Å; C179-L182 PolarHBondContact O-N 3.42Å; C179-L182 VanDerWaalsContact O-N 3.11Å
180R94.6Very high98Very high152 Ų15238.1 Ų38.157%0.57417%0.172SC*.THydrogen-bonded Turntrans-61.5-14.2-168.765.2-177.658.1177.8-7117.6S178 K214S178-R180 VanDerWaalsContact C-N 3.3Å; S178-R180 PolarHBondContact O-N 3.23Å; R180-K214 WeakPolarHBondContact O-CE 2.97Å
181H97.1Very high97.9Very high82 Ų8230.6 Ų30.638%0.3814%0.144SC..BIsolated β-bridgetrans-94.9-1.9178.7-65.1-47.5000113.2S154 T157 C179S154-H181 PolarHBondContact O-CD2 3.15Å; T157-H181 HydrophobicContact CG2-CB 4.16Å; C179-H181 PolarHBondContact O-N 2.94Å
182L98.2Very high97.8Very high0 Ų031.8 Ų31.80%016%0.157CC..  trans-75.9142.2172.5-57.2-177.9000110.8I156 T157 L161 L176 C179 K214I156-L182 HydrophobicContact CG2-CD2 4.34Å; T157-L182 WeakPolarHBondContact O-CD2 3.32Å; L161-L182 HydrophobicContact CD1-CD1 4.02Å; L161-L182 HydrophobicContact CD1-CD2 3.66Å; L161-L182 HydrophobicContact CD1-CG 4.33Å; L161-L182 HydrophobicContact CD2-CD2 4.34Å; L161-L182 HydrophobicContact CG-CD2 3.68Å; L176-L182 HydrophobicContact CB-CD1 3.78Å; L176-L182 HydrophobicContact CD1-CD1 3.86Å; L176-L182 HydrophobicContact CD2-CD1 4.05Å; L176-L182 HydrophobicContact CG-CD1 4.1Å; C179-L182 HydrophobicContact CB-CD1 3.43Å; C179-L182 VanDerWaalsContact CB-CD1 3.43Å; C179-L182 HydrophobicContact CB-CG 3.73Å; C179-L182 WeakPolarHBondContact O-CB 3.38Å; C179-L182 VanDerWaalsContact O-CG 3.3Å; C179-L182 WeakPolarHBondContact O-CG 3.5Å; C179-L182 PolarHBondContact O-N 3.42Å; C179-L182 VanDerWaalsContact O-N 3.11Å; L182-K214 WeakPolarHBondContact O-CB 3.3Å
183S98.2Very high97.5Very high25 Ų2531.5 Ų31.518%0.17516%0.157CC..BIsolated β-bridgetrans-138.7-178.4177.262.80000109.7N158 V185 G186 I187N158-S183 PolarHBondContact ND2-OG 2.76Å; N158-S183 PolarHBondContact OD1-N 3.17Å; N158-S183 PolarHBondContact OD1-OG 2.84Å; N158-S183 VanDerWaalsContact OD1-OG 3.14Å; S183-V185 PolarHBondContact O-N 3.42Å; S183-G186 PolarHBondContact O-N 3.5Å; S183-I187 PolarHBondContact O-N 3.45Å
184D98.3Very high97Very high21 Ų2132.4 Ų32.411%0.11216%0.162CC..Hα-helixtrans-52-33.1178-54.5-41.8000113.8G186 I187 G188 T216 L218 S219 H222D184-G186 PolarHBondContact O-N 3.31Å; D184-I187 PolarHBondContact O-N 2.97Å; D184-G188 PolarHBondContact O-N 3.2Å; D184-T216 VanDerWaalsContact CG-OG1 3.31Å; D184-T216 PolarHBondContact OD1-N 2.81Å; D184-T216 PolarHBondContact OD1-OG1 2.97Å; D184-T216 PolarHBondContact OD2-OG1 3.02Å; D184-L218 HydrophobicContact CB-CB 4.11Å; D184-L218 HydrophobicContact CB-CD2 3.92Å; D184-L218 HydrophobicContact CB-CG 4.01Å; D184-S219 WeakPolarHBondContact CA-OG 3.48Å; D184-S219 WeakPolarHBondContact OD1-CB 3.38Å; D184-S219 PolarHBondContact OD1-N 3.14Å; D184-S219 PolarHBondContact OD1-OG 3.06Å; D184-H222 PolarHBondContact O-CD2 2.79Å
185V97.3Very high96Very high75 Ų7545 Ų4546%0.45521%0.21SC..Hα-helixtrans-59.4-45.8176.7177.50000111.7N158 S183 G188 H189N158-V185 HydrophobicContact CB-CG1 4.42Å; S183-V185 PolarHBondContact O-N 3.42Å; V185-G188 WeakPolarHBondContact O-CA 3.36Å; V185-G188 PolarHBondContact O-N 3.06Å; V185-H189 PolarHBondContact O-CD2 3.02Å; V185-H189 PolarHBondContact O-N 3.13Å
186G97.6Very high94.9Very high0 Ų045.8 Ų45.80%022%0.217CC..Hα-helixtrans-66.5-38.3179.800000112.4N158 L161 S183 D184 G188 H189 L190N158-G186 WeakPolarHBondContact OD1-CA 3.3Å; N158-G186 PolarHBondContact OD1-N 3.37Å; L161-G186 VanDerWaalsContact CD1-C 3.47Å; L161-G186 WeakPolarHBondContact CD1-O 3.4Å; S183-G186 PolarHBondContact O-N 3.5Å; D184-G186 PolarHBondContact O-N 3.31Å; G186-G188 VanDerWaalsContact C-N 3.31Å; G186-H189 WeakPolarHBondContact O-CB 3.31Å; G186-H189 PolarHBondContact O-N 2.97Å; G186-L190 PolarHBondContact O-N 3.35Å
187I98.3Very high93.6Very high0 Ų050.3 Ų50.30%026%0.255CS..Hα-helixtrans-66.3-37.6172.6-55.7-50.8000110.8L161 S183 D184 H189 L190 A191 L209 L215 S219 H222 I223L161-I187 HydrophobicContact CD1-CD1 4.33Å; S183-I187 PolarHBondContact O-N 3.45Å; D184-I187 PolarHBondContact O-N 2.97Å; I187-H189 VanDerWaalsContact C-N 3.3Å; I187-H189 PolarHBondContact O-N 2.93Å; I187-L190 HydrophobicContact CD1-CD1 4.46Å; I187-L190 PolarHBondContact O-N 3.39Å; I187-A191 WeakPolarHBondContact O-CB 3.28Å; I187-A191 PolarHBondContact O-N 3.2Å; I187-L209 HydrophobicContact CD1-CD1 3.83Å; I187-L209 HydrophobicContact CD1-CD2 3.59Å; I187-L209 HydrophobicContact CD1-CG 4.37Å; I187-L215 HydrophobicContact CD1-CD2 4.28Å; I187-L215 HydrophobicContact CG1-CD2 3.68Å; I187-S219 WeakPolarHBondContact CG1-OG 3.28Å; I187-H222 HydrophobicContact CG2-CB 4.31Å; I187-I223 HydrophobicContact CG2-CD1 3.91Å; I187-I223 HydrophobicContact CG2-CG1 3.57Å
188G98Very high92.5Very high0 Ų045.2 Ų45.20%024%0.237CC..Hα-helixtrans-57.5-40172.100000112.7D184 V185 G186 A191 G192 M193D184-G188 PolarHBondContact O-N 3.2Å; V185-G188 WeakPolarHBondContact O-CA 3.36Å; V185-G188 PolarHBondContact O-N 3.06Å; G186-G188 VanDerWaalsContact C-N 3.31Å; G188-A191 PolarHBondContact O-N 2.99Å; G188-G192 PolarHBondContact O-N 3.24Å; G188-G192 VanDerWaalsContact O-N 3.11Å; G188-M193 PolarHBondContact O-N 3.11Å
189H97.7Very high92Very high20 Ų2051.1 Ų51.19%0.09326%0.262CS..Hα-helixtrans-62.7-49174.1-63.6-40000112N158 L162 A165 V185 G186 I187 A191 G192 T194 G200N158-H189 PolarHBondContact O-CD2 3.13Å; L162-H189 HydrophobicContact CD1-CB 4.48Å; A165-H189 HydrophobicContact CB-CB 4.22Å; A165-H189 VanDerWaalsContact CB-O 3.31Å; A165-H189 WeakPolarHBondContact CB-O 3.4Å; V185-H189 PolarHBondContact O-CD2 3.02Å; V185-H189 PolarHBondContact O-N 3.13Å; G186-H189 WeakPolarHBondContact O-CB 3.31Å; G186-H189 PolarHBondContact O-N 2.97Å; I187-H189 VanDerWaalsContact C-N 3.3Å; I187-H189 PolarHBondContact O-N 2.93Å; H189-A191 PolarHBondContact O-N 3Å; H189-G192 PolarHBondContact O-N 2.96Å; H189-G192 VanDerWaalsContact O-N 3.12Å; H189-T194 WeakPolarHBondContact ND1-CB 3.28Å; H189-T194 WeakPolarHBondContact ND1-CG2 3.18Å; H189-T194 PolarHBondContact ND1-OG1 3.28Å; H189-G200 WeakPolarHBondContact O-CA 3.44Å
190L97.9Very high91.7Very high0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-60.5-36178.2-65.8177.1000112.1L161 I164 A165 L174 L176 G186 I187 G192 G200 C201L161-L190 HydrophobicContact CB-CD2 4.41Å; L161-L190 HydrophobicContact CB-CG 4.28Å; L161-L190 HydrophobicContact CD1-CD1 3.87Å; L161-L190 HydrophobicContact CD1-CG 4.22Å; L161-L190 HydrophobicContact CD2-CD1 4.23Å; L161-L190 HydrophobicContact CD2-CD2 4.45Å; I164-L190 HydrophobicContact CB-CD2 4.43Å; I164-L190 HydrophobicContact CG2-CD2 3.76Å; A165-L190 HydrophobicContact CB-CD2 4.46Å; L174-L190 HydrophobicContact CD2-CD1 3.67Å; L174-L190 HydrophobicContact CD2-CD2 3.89Å; L174-L190 HydrophobicContact CD2-CG 4.45Å; L176-L190 HydrophobicContact CD1-CD1 4.16Å; G186-L190 PolarHBondContact O-N 3.35Å; I187-L190 HydrophobicContact CD1-CD1 4.46Å; I187-L190 PolarHBondContact O-N 3.39Å; L190-G192 VanDerWaalsContact C-N 3.33Å; L190-G200 CarbonylContact O-C 3.49Å; L190-G200 VanDerWaalsContact O-CA 3.31Å; L190-G200 WeakPolarHBondContact O-CA 3.24Å; L190-C201 PolarHBondContact O-N 3.44Å
191A97.1Very high91.8Very high0 Ų043.9 Ų43.90%023%0.234CC..THydrogen-bonded Turntrans-83.7-0.2179.400000114.2I187 G188 H189 M193 H222 G226 L227I187-A191 WeakPolarHBondContact O-CB 3.28Å; I187-A191 PolarHBondContact O-N 3.2Å; G188-A191 PolarHBondContact O-N 2.99Å; H189-A191 PolarHBondContact O-N 3Å; A191-M193 HydrophobicContact CB-CB 4.47Å; A191-M193 HydrophobicContact CB-CG 3.72Å; A191-M193 WeakPolarHBondContact O-CE 3.47Å; A191-M193 PolarHBondContact O-N 3.49Å; A191-H222 HydrophobicContact CB-CB 4.04Å; A191-H222 WeakPolarHBondContact CB-O 3.13Å; A191-G226 VanDerWaalsContact O-CA 3.26Å; A191-G226 WeakPolarHBondContact O-CA 3.46Å; A191-L227 HydrophobicContact CB-CG 4.3Å
192G95.7Very high91.8Very high26 Ų2644.1 Ų44.127%0.26824%0.238SC..THydrogen-bonded Turntrans64.823.2-176.100000113.8G188 H189 L190G188-G192 PolarHBondContact O-N 3.24Å; G188-G192 VanDerWaalsContact O-N 3.11Å; H189-G192 PolarHBondContact O-N 2.96Å; H189-G192 VanDerWaalsContact O-N 3.12Å; L190-G192 VanDerWaalsContact C-N 3.33Å
193M93.6Very high91.7Very high76 Ų7646.3 Ų46.337%0.37426%0.26SS..  trans-96-5.2-173.9-64.6-66.3104.800113.7G188 A191 H222 R225G188-M193 PolarHBondContact O-N 3.11Å; A191-M193 HydrophobicContact CB-CB 4.47Å; A191-M193 HydrophobicContact CB-CG 3.72Å; A191-M193 WeakPolarHBondContact O-CE 3.47Å; A191-M193 PolarHBondContact O-N 3.49Å; M193-H222 HydrophobicContact CB-CB 4.38Å; M193-H222 VanDerWaalsContact CB-ND1 3.33Å; M193-H222 WeakPolarHBondContact CB-ND1 3.36Å; M193-H222 HydrophobicContact CG-CB 4.07Å; M193-R225 HydrophobicContact CE-CB 4.4Å; M193-R225 HydrophobicContact SD-CB 3.69Å
194T86.9Confident91.7Very high34 Ų3445.1 Ų45.121%0.20925%0.252CS..SBendtrans-95149.6177.352.10000111H189 S196H189-T194 WeakPolarHBondContact ND1-CB 3.28Å; H189-T194 WeakPolarHBondContact ND1-CG2 3.18Å; H189-T194 PolarHBondContact ND1-OG1 3.28Å; T194-S196 PolarHBondContact O-N 2.99Å; T194-S196 PolarHBondContact OG1-OG 3.1Å
195R77.8Confident91.8Very high266 Ų26647.1 Ų47.1100%1.00426%0.261SS*.SBendtrans-69.517.9175.6-62.6-177.6178.9172.5-0.9114.5
196S76.5Confident91.8Very high43 Ų4347.6 Ų47.630%0.30126%0.258SS..SBendtrans-81.8166177.160.60000110.6L162 T194 A198L162-S196 WeakPolarHBondContact CD1-OG 3.49Å; T194-S196 PolarHBondContact O-N 2.99Å; T194-S196 PolarHBondContact OG1-OG 3.1Å; S196-A198 PolarHBondContact O-N 3.41Å
197A70.7Confident91.9Very high96 Ų9647.6 Ų47.679%0.79326%0.258SS*.SBendtrans-69.94.6176.600000114.4
198A75.7Confident91.9Very high7 Ų748.7 Ų48.76%0.05827%0.265CS..  trans-91.4120.6-178.900000110.3L162 A165 W166 S196 G200L162-A198 HydrophobicContact CD1-CB 3.68Å; A165-A198 HydrophobicContact CB-CB 3.94Å; W166-A198 HydrophobicContact CB-CB 4.31Å; S196-A198 PolarHBondContact O-N 3.41Å; A198-G200 PolarHBondContact O-N 2.87Å
199E86.6Confident92Very high150 Ų15048.7 Ų48.770%0.70127%0.265SS*.  trans-72.5-10.1-180-62.6179.7170.700113.3
200G93.1Very high92Very high0 Ų049 Ų490%027%0.266CS..  trans90.2174.2-177.500000113.2Q169 H189 L190 A198Q169-G200 PolarHBondContact OE1-O 2.77Å; Q169-G200 VanDerWaalsContact OE1-O 3.06Å; H189-G200 WeakPolarHBondContact O-CA 3.44Å; L190-G200 CarbonylContact O-C 3.49Å; L190-G200 VanDerWaalsContact O-CA 3.31Å; L190-G200 WeakPolarHBondContact O-CA 3.24Å; A198-G200 PolarHBondContact O-N 2.87Å
201C96.3Very high92Very high0 Ų051.5 Ų51.50%028%0.28CS..  trans-99.965.7172-65.80000109.1L190 G203 L204L190-C201 PolarHBondContact O-N 3.44Å; C201-G203 PolarHBondContact O-N 3.23Å; C201-G203 VanDerWaalsContact O-N 3.15Å; C201-L204 VanDerWaalsContact O-CB 3.23Å; C201-L204 WeakPolarHBondContact O-CB 3.38Å; C201-L204 PolarHBondContact O-N 2.91Å
202L95.9Very high92Very high88 Ų8851.5 Ų51.546%0.46128%0.28SS..THydrogen-bonded Turntrans-67.6-18.5-168.6-52.2-177.4000114L204 G226L202-L204 VanDerWaalsContact C-N 3.27Å; L202-L204 PolarHBondContact O-N 3.2Å; L202-G226 WeakPolarHBondContact CD2-O 3.31Å
203G97.1Very high92.1Very high45 Ų4555 Ų5546%0.46429%0.289SS..THydrogen-bonded Turntrans-826.9173.200000115C201 E205C201-G203 PolarHBondContact O-N 3.23Å; C201-G203 VanDerWaalsContact O-N 3.15Å; G203-E205 PolarHBondContact O-N 3.43Å
204L98.6Very high92.3Very high0 Ų056.9 Ų56.90%030%0.295CS..  trans-67.3125.6-176.7-161.874.2000111.4L171 L174 C201 L202 L207 L227 L230L171-L204 HydrophobicContact CB-CD1 4.49Å; L171-L204 HydrophobicContact CD2-CD1 4.21Å; L171-L204 HydrophobicContact CG-CD1 4.01Å; L174-L204 HydrophobicContact CB-CD1 3.84Å; L174-L204 HydrophobicContact CB-CD2 4.28Å; C201-L204 VanDerWaalsContact O-CB 3.23Å; C201-L204 WeakPolarHBondContact O-CB 3.38Å; C201-L204 PolarHBondContact O-N 2.91Å; L202-L204 VanDerWaalsContact C-N 3.27Å; L202-L204 PolarHBondContact O-N 3.2Å; L204-L207 HydrophobicContact CD2-CB 3.88Å; L204-L207 HydrophobicContact CD2-CD1 4.04Å; L204-L207 HydrophobicContact CD2-CD2 4.22Å; L204-L207 HydrophobicContact CD2-CG 4.26Å; L204-L227 HydrophobicContact CB-CD2 4.34Å; L204-L227 HydrophobicContact CD2-CD1 4.14Å; L204-L230 HydrophobicContact CD2-CD1 4.33Å; L204-L230 HydrophobicContact CG-CD1 4.3Å; L204-L230 WeakPolarHBondContact O-CA 3.44Å; L204-L230 PolarHBondContact O-N 3.2Å
205E98.8Very high92.8Very high63 Ų6355.3 Ų55.329%0.29429%0.285SS..  trans-103.5-27.6-179.9-63.8-175.5-147.200112.6K172 G203 R231 L232K172-E205 CarbonylContact O-C 3.5Å; K172-E205 WeakPolarHBondContact O-CA 3.17Å; K172-E205 PolarHBondContact O-N 3.16Å; G203-E205 PolarHBondContact O-N 3.43Å; E205-R231 HydrophobicContact CB-CG 4.4Å; E205-R231 WeakPolarHBondContact O-CA 3.21Å; E205-R231 PolarHBondContact O-N 3.02Å; E205-R231 IonicContact OE2-NH1 3.38Å; E205-L232 PolarHBondContact O-N 3.23Å
206Q98.9Very high93.8Very high86 Ų8645.4 Ų45.440%0.40225%0.254SS..EExtended strand (participates in β ladder)trans-134.4127.4-177.9-52.1-174.522.600110.8K172 S173 L174 L232K172-Q206 PolarHBondContact O-N 3.41Å; S173-Q206 WeakPolarHBondContact CA-O 3.14Å; L174-Q206 PolarHBondContact N-O 2.95Å; Q206-L232 WeakPolarHBondContact CA-O 3.19Å; Q206-L232 HydrophobicContact CB-CB 4.26Å; Q206-L232 HydrophobicContact CG-CB 4.04Å
207L98.9Very high94.9Very high0 Ų044.9 Ų44.90%025%0.249CC..EExtended strand (participates in β ladder)trans-134.3117.8179.5-178.354.2000110L174 L176 L204 L209 I223 L227 L230 L232 L233 N234L174-L207 HydrophobicContact CB-CD1 4.31Å; L174-L207 HydrophobicContact CD2-CD1 4.45Å; L174-L207 HydrophobicContact CG-CD1 4.38Å; L174-L207 WeakPolarHBondContact O-CA 3.37Å; L176-L207 HydrophobicContact CD1-CD1 4.32Å; L204-L207 HydrophobicContact CD2-CB 3.88Å; L204-L207 HydrophobicContact CD2-CD1 4.04Å; L204-L207 HydrophobicContact CD2-CD2 4.22Å; L204-L207 HydrophobicContact CD2-CG 4.26Å; L207-L209 HydrophobicContact CD1-CD1 4.44Å; L207-L209 HydrophobicContact CD1-CD2 4.03Å; L207-L209 HydrophobicContact CD1-CG 4.02Å; L207-L209 HydrophobicContact CD2-CD1 3.83Å; L207-L209 HydrophobicContact CD2-CG 4.3Å; L207-L209 HydrophobicContact CG-CD1 3.92Å; L207-L209 HydrophobicContact CG-CD2 4.39Å; L207-L209 HydrophobicContact CG-CG 3.86Å; L207-I223 HydrophobicContact CD2-CD1 4.07Å; L207-I223 HydrophobicContact CD2-CG1 4.3Å; L207-L227 HydrophobicContact CD2-CD1 3.75Å; L207-L230 HydrophobicContact CB-CD1 3.75Å; L207-L230 HydrophobicContact CB-CD2 4.27Å; L207-L232 PolarHBondContact N-O 3.04Å; L207-L233 HydrophobicContact CB-CD1 4.21Å; L207-L233 HydrophobicContact CD2-CD1 4.33Å; L207-L233 HydrophobicContact CG-CD1 4.25Å; L207-L233 WeakPolarHBondContact O-CA 3.33Å; L207-N234 PolarHBondContact O-N 3.33Å
208T98.9Very high96.2Very high23 Ų2344 Ų4414%0.14123%0.23CC..EExtended strand (participates in β ladder)trans-109.3116.2174.3-62.60000110L174 N175 L176 R177 Q210 N234L174-T208 PolarHBondContact O-N 3.46Å; N175-T208 WeakPolarHBondContact OD1-CG2 3.4Å; L176-T208 WeakPolarHBondContact CA-O 3.43Å; L176-T208 PolarHBondContact N-O 3.22Å; R177-T208 HydrophobicContact CB-CG2 4.24Å; T208-Q210 HydrophobicContact CG2-CB 4.17Å; T208-N234 HydrophobicContact CG2-CB 4.14Å
209L98.7Very high97.3Very high0 Ų043.6 Ų43.60%023%0.227CC..  trans-120.818.4-179.4-65.1170.1000111.7L176 I187 L207 D211 C212 L215 I223 L233 N234 L235 C238L176-L209 HydrophobicContact CB-CD2 4.15Å; L176-L209 HydrophobicContact CD1-CD2 3.91Å; I187-L209 HydrophobicContact CD1-CD1 3.83Å; I187-L209 HydrophobicContact CD1-CD2 3.59Å; I187-L209 HydrophobicContact CD1-CG 4.37Å; L207-L209 HydrophobicContact CD1-CD1 4.44Å; L207-L209 HydrophobicContact CD1-CD2 4.03Å; L207-L209 HydrophobicContact CD1-CG 4.02Å; L207-L209 HydrophobicContact CD2-CD1 3.83Å; L207-L209 HydrophobicContact CD2-CG 4.3Å; L207-L209 HydrophobicContact CG-CD1 3.92Å; L207-L209 HydrophobicContact CG-CD2 4.39Å; L207-L209 HydrophobicContact CG-CG 3.86Å; L209-D211 PolarHBondContact O-N 3.02Å; L209-C212 VanDerWaalsContact O-CB 3.23Å; L209-C212 WeakPolarHBondContact O-CB 3.37Å; L209-C212 PolarHBondContact O-N 2.85Å; L209-C212 VanDerWaalsContact O-N 3.14Å; L209-C212 PolarHBondContact O-SG 2.96Å; L209-L215 HydrophobicContact CB-CD1 3.8Å; L209-L215 HydrophobicContact CD1-CD1 3.81Å; L209-L215 HydrophobicContact CD2-CD1 4.21Å; L209-L215 HydrophobicContact CG-CD1 4.15Å; L209-I223 HydrophobicContact CD1-CD1 3.99Å; L209-L233 HydrophobicContact CD1-CD1 4.37Å; L209-N234 CarbonylContact C-O 3.6Å; L209-N234 WeakPolarHBondContact CA-O 3.27Å; L209-N234 PolarHBondContact N-O 3.35Å; L209-L235 HydrophobicContact CB-CD2 4.12Å; L209-L235 HydrophobicContact CD1-CD2 4.02Å; L209-C238 PolarHBondContact O-SG 3.39Å
210Q98.7Very high97.9Very high25 Ų2536.5 Ų36.512%0.11719%0.194CC..THydrogen-bonded Turntrans-47.5133.7179.3171.4173.310.300111.3R177 S178 T208 C212 N234 S236 F237R177-Q210 CarbonylContact C-O 3.51Å; R177-Q210 VanDerWaalsContact CA-O 3.27Å; R177-Q210 WeakPolarHBondContact CA-O 3.42Å; R177-Q210 HydrophobicContact CB-CB 4.28Å; R177-Q210 HydrophobicContact CG-CB 4.01Å; R177-Q210 HydrophobicContact CG-CG 4.09Å; S178-Q210 PolarHBondContact N-O 2.91Å; T208-Q210 HydrophobicContact CG2-CB 4.17Å; Q210-C212 PolarHBondContact O-N 3.42Å; Q210-N234 PolarHBondContact N-O 3.25Å; Q210-S236 CarbonylContact C-O 3.51Å; Q210-S236 VanDerWaalsContact CA-O 3.23Å; Q210-S236 WeakPolarHBondContact CA-O 3.34Å; Q210-S236 WeakPolarHBondContact CB-OG 3.49Å; Q210-S236 VanDerWaalsContact CD-OG 3.31Å; Q210-S236 WeakPolarHBondContact CG-OG 3.41Å; Q210-F237 HydrophobicContact CG-CD2 4.1Å
211D98.1Very high98.1Very high54 Ų5439.9 Ų39.929%0.28921%0.208SC..THydrogen-bonded Turntrans58.433.3176.7-176.443000113.5S178 L209 Q213 S236 F237S178-D211 WeakPolarHBondContact CB-OD2 3.24Å; S178-D211 PolarHBondContact OG-OD2 3.37Å; L209-D211 PolarHBondContact O-N 3.02Å; D211-Q213 PolarHBondContact O-N 3.43Å; D211-Q213 PolarHBondContact OD1-NE2 2.87Å; D211-S236 PolarHBondContact N-O 3.12Å; D211-F237 HydrophobicContact CB-CB 4.27Å
212C97.9Very high98.2Very high0 Ų041.3 Ų41.30%022%0.215CC..  trans-94.382.5168.7-65.20000109.8L176 L209 Q210 K214 L215L176-C212 PolarHBondContact O-SG 3.46Å; L176-C212 VanDerWaalsContact O-SG 3.35Å; L209-C212 VanDerWaalsContact O-CB 3.23Å; L209-C212 WeakPolarHBondContact O-CB 3.37Å; L209-C212 PolarHBondContact O-N 2.85Å; L209-C212 VanDerWaalsContact O-N 3.14Å; L209-C212 PolarHBondContact O-SG 2.96Å; Q210-C212 PolarHBondContact O-N 3.42Å; C212-K214 PolarHBondContact O-N 2.91Å; C212-K214 VanDerWaalsContact O-N 3.09Å; C212-L215 HydrophobicContact CB-CD1 3.53Å; C212-L215 HydrophobicContact CB-CG 3.7Å; C212-L215 WeakPolarHBondContact O-CG 3.49Å; C212-L215 PolarHBondContact O-N 3.45Å
213Q96.3Very high98.3Very high99 Ų9937.1 Ų37.146%0.46319%0.193SC..THydrogen-bonded Turntrans-65.7-13.7-167.3-60.3-58.9-25.100116.5D211 F237D211-Q213 PolarHBondContact O-N 3.43Å; D211-Q213 PolarHBondContact OD1-NE2 2.87Å; Q213-F237 PolarHBondContact NE2-O 2.75Å; Q213-F237 PolarHBondContact OE1-O 2.76Å
214K98.2Very high98.3Very high116 Ų11636.1 Ų36.150%0.50418%0.179SC..BIsolated β-bridgetrans-96.98.8178.8-49.2-179.1173.4-1660113.5R180 L182 C212R180-K214 WeakPolarHBondContact O-CE 2.97Å; L182-K214 WeakPolarHBondContact O-CB 3.3Å; C212-K214 PolarHBondContact O-N 2.91Å; C212-K214 VanDerWaalsContact O-N 3.09Å
215L98.5Very high98.2Very high0 Ų043.7 Ų43.70%021%0.207CC..  trans-83139.2174.2-56-175000109.9I187 L209 C212 S219 G240 I241I187-L215 HydrophobicContact CD1-CD2 4.28Å; I187-L215 HydrophobicContact CG1-CD2 3.68Å; L209-L215 HydrophobicContact CB-CD1 3.8Å; L209-L215 HydrophobicContact CD1-CD1 3.81Å; L209-L215 HydrophobicContact CD2-CD1 4.21Å; L209-L215 HydrophobicContact CG-CD1 4.15Å; C212-L215 HydrophobicContact CB-CD1 3.53Å; C212-L215 HydrophobicContact CB-CG 3.7Å; C212-L215 WeakPolarHBondContact O-CG 3.49Å; C212-L215 PolarHBondContact O-N 3.45Å; L215-S219 WeakPolarHBondContact CD2-OG 3.38Å; L215-G240 CarbonylContact O-C 3.4Å; L215-G240 WeakPolarHBondContact O-CA 3.21Å; L215-I241 HydrophobicContact CB-CD1 4.45Å
216T98.7Very high98.1Very high58 Ų5841 Ų4136%0.35620%0.196SC..  trans-124.1-178.2175.476.60000110.7D184 L218 S219 G240 I241D184-T216 VanDerWaalsContact CG-OG1 3.31Å; D184-T216 PolarHBondContact OD1-N 2.81Å; D184-T216 PolarHBondContact OD1-OG1 2.97Å; D184-T216 PolarHBondContact OD2-OG1 3.02Å; T216-L218 PolarHBondContact O-N 3.48Å; T216-L218 PolarHBondContact OG1-N 2.76Å; T216-S219 VanDerWaalsContact O-CB 3.28Å; T216-S219 WeakPolarHBondContact O-CB 3.48Å; T216-S219 PolarHBondContact O-N 3.32Å; T216-G240 WeakPolarHBondContact CA-O 3.2Å; T216-I241 WeakPolarHBondContact O-CD1 3.43Å
217D98.8Very high98Very high33 Ų3336.9 Ų36.918%0.17618%0.177CC..Hα-helixtrans-55.4-22.8174.4-63.9-25.8000113.6S219 L220 K221 S242 G245D217-S219 VanDerWaalsContact C-N 3.3Å; D217-S219 PolarHBondContact O-N 2.83Å; D217-L220 PolarHBondContact O-N 3.29Å; D217-L220 VanDerWaalsContact O-N 3.1Å; D217-K221 PolarHBondContact O-N 2.99Å; D217-S242 PolarHBondContact OD1-N 3.48Å; D217-S242 PolarHBondContact OD2-OG 3.25Å; D217-G245 VanDerWaalsContact CG-CA 3.43Å; D217-G245 VanDerWaalsContact OD1-CA 3.24Å; D217-G245 WeakPolarHBondContact OD1-CA 3.23Å; D217-G245 PolarHBondContact OD1-N 3.48Å; D217-G245 PolarHBondContact OD2-N 2.8Å
218L98.4Very high97.9Very high76 Ų7641.5 Ų41.540%0.39821%0.206SC..Hα-helixtrans-62.6-36.2172.8-178.560.5000112.1D184 T216 L220 K221 H222D184-L218 HydrophobicContact CB-CB 4.11Å; D184-L218 HydrophobicContact CB-CD2 3.92Å; D184-L218 HydrophobicContact CB-CG 4.01Å; T216-L218 PolarHBondContact O-N 3.48Å; T216-L218 PolarHBondContact OG1-N 2.76Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 3.03Å; L218-K221 HydrophobicContact CD1-CB 4.5Å; L218-K221 HydrophobicContact CD1-CD 4.24Å; L218-K221 WeakPolarHBondContact O-CB 3.43Å; L218-K221 PolarHBondContact O-N 2.96Å; L218-H222 PolarHBondContact O-CD2 2.98Å; L218-H222 PolarHBondContact O-N 2.93Å
219S98.5Very high97.8Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-58.5-41.6171.1-76.10000111.8D184 I187 L215 T216 D217 H222 I223D184-S219 WeakPolarHBondContact CA-OG 3.48Å; D184-S219 WeakPolarHBondContact OD1-CB 3.38Å; D184-S219 PolarHBondContact OD1-N 3.14Å; D184-S219 PolarHBondContact OD1-OG 3.06Å; I187-S219 WeakPolarHBondContact CG1-OG 3.28Å; L215-S219 WeakPolarHBondContact CD2-OG 3.38Å; T216-S219 VanDerWaalsContact O-CB 3.28Å; T216-S219 WeakPolarHBondContact O-CB 3.48Å; T216-S219 PolarHBondContact O-N 3.32Å; D217-S219 VanDerWaalsContact C-N 3.3Å; D217-S219 PolarHBondContact O-N 2.83Å; S219-H222 PolarHBondContact O-N 2.99Å; S219-I223 VanDerWaalsContact O-CG1 3.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.43Å; S219-I223 PolarHBondContact O-N 2.89Å
220L98.7Very high97.8Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-70.7-34.8179.8-55.6-165.3000111.9D217 L218 H222 I223 S224 L235 I241 G245 L246 H248 L249D217-L220 PolarHBondContact O-N 3.29Å; D217-L220 VanDerWaalsContact O-N 3.1Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 3.03Å; L220-H222 VanDerWaalsContact C-N 3.32Å; L220-H222 PolarHBondContact O-N 2.87Å; L220-I223 HydrophobicContact CD2-CD1 4.17Å; L220-I223 PolarHBondContact O-N 2.73Å; L220-S224 WeakPolarHBondContact O-CB 3.42Å; L220-S224 PolarHBondContact O-N 2.88Å; L220-S224 PolarHBondContact O-OG 2.95Å; L220-L235 HydrophobicContact CD1-CD1 4.3Å; L220-L235 HydrophobicContact CD2-CD1 3.45Å; L220-L235 VanDerWaalsContact CD2-CD1 3.45Å; L220-L235 HydrophobicContact CD2-CD2 4.01Å; L220-L235 HydrophobicContact CD2-CG 4.37Å; L220-I241 HydrophobicContact CD1-CD1 4.21Å; L220-I241 HydrophobicContact CD1-CG2 3.53Å; L220-I241 HydrophobicContact CD2-CD1 4.22Å; L220-I241 HydrophobicContact CG-CD1 4Å; L220-I241 HydrophobicContact CG-CG2 4.49Å; L220-G245 WeakPolarHBondContact CD1-O 3.23Å; L220-L246 HydrophobicContact CD1-CD2 4.27Å; L220-H248 HydrophobicContact CB-CB 4.47Å; L220-L249 HydrophobicContact CB-CD2 4.08Å; L220-L249 HydrophobicContact CB-CG 4.23Å; L220-L249 HydrophobicContact CD1-CD1 3.88Å; L220-L249 HydrophobicContact CD1-CG 4.09Å; L220-L249 HydrophobicContact CD2-CD1 4.31Å; L220-L249 HydrophobicContact CD2-CD2 4.33Å
221K98.3Very high97.8Very high71 Ų7146.7 Ų46.731%0.30923%0.232SC..Hα-helixtrans-60.5-41.2169.2-171.1176.1178.5175.60112D217 L218 S224 R225D217-K221 PolarHBondContact O-N 2.99Å; L218-K221 HydrophobicContact CD1-CB 4.5Å; L218-K221 HydrophobicContact CD1-CD 4.24Å; L218-K221 WeakPolarHBondContact O-CB 3.43Å; L218-K221 PolarHBondContact O-N 2.96Å; K221-S224 PolarHBondContact O-OG 2.98Å; K221-R225 VanDerWaalsContact O-CG 3.31Å; K221-R225 WeakPolarHBondContact O-CG 3.34Å; K221-R225 PolarHBondContact O-N 2.95Å
222H98Very high97.8Very high31 Ų3146.6 Ų46.614%0.14423%0.231CC..Hα-helixtrans-67.6-48.7176-69.3-35.6000111.7D184 I187 A191 M193 L218 S219 L220 S224 R225 G226D184-H222 PolarHBondContact O-CD2 2.79Å; I187-H222 HydrophobicContact CG2-CB 4.31Å; A191-H222 HydrophobicContact CB-CB 4.04Å; A191-H222 WeakPolarHBondContact CB-O 3.13Å; M193-H222 HydrophobicContact CB-CB 4.38Å; M193-H222 VanDerWaalsContact CB-ND1 3.33Å; M193-H222 WeakPolarHBondContact CB-ND1 3.36Å; M193-H222 HydrophobicContact CG-CB 4.07Å; L218-H222 PolarHBondContact O-CD2 2.98Å; L218-H222 PolarHBondContact O-N 2.93Å; S219-H222 PolarHBondContact O-N 2.99Å; L220-H222 VanDerWaalsContact C-N 3.32Å; L220-H222 PolarHBondContact O-N 2.87Å; H222-S224 PolarHBondContact O-N 2.92Å; H222-R225 PolarHBondContact O-N 2.89Å; H222-G226 PolarHBondContact O-N 2.79Å
223I98.4Very high97.9Very high0 Ų046.7 Ų46.70%023%0.231CC..Hα-helixtrans-56.6-49.8178.8-71.6167.2000111.1I187 L207 L209 S219 L220 R225 L227 L230 L233 L249 M252I187-I223 HydrophobicContact CG2-CD1 3.91Å; I187-I223 HydrophobicContact CG2-CG1 3.57Å; L207-I223 HydrophobicContact CD2-CD1 4.07Å; L207-I223 HydrophobicContact CD2-CG1 4.3Å; L209-I223 HydrophobicContact CD1-CD1 3.99Å; S219-I223 VanDerWaalsContact O-CG1 3.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.43Å; S219-I223 PolarHBondContact O-N 2.89Å; L220-I223 HydrophobicContact CD2-CD1 4.17Å; L220-I223 PolarHBondContact O-N 2.73Å; I223-R225 VanDerWaalsContact C-N 3.25Å; I223-R225 PolarHBondContact O-N 2.65Å; I223-L227 HydrophobicContact CG1-CD1 4.14Å; I223-L227 HydrophobicContact CG2-CB 4.41Å; I223-L227 HydrophobicContact CG2-CD1 4.37Å; I223-L227 WeakPolarHBondContact O-CA 3.43Å; I223-L227 WeakPolarHBondContact O-CB 3.44Å; I223-L227 PolarHBondContact O-N 3.27Å; I223-L230 HydrophobicContact CG2-CD2 3.75Å; I223-L233 HydrophobicContact CD1-CD1 4.15Å; I223-L233 HydrophobicContact CD1-CD2 4.38Å; I223-L233 HydrophobicContact CG2-CD2 4.2Å; I223-L249 HydrophobicContact CG2-CD2 4.32Å; I223-M252 HydrophobicContact CG2-CE 3.85Å; I223-M252 HydrophobicContact CG2-SD 4.01Å
224S97.5Very high98Very high24 Ų2443.2 Ų43.217%0.16822%0.216CC..Hα-helixtrans-62.5-29.8-178.556.40000114.1L220 K221 H222 H248L220-S224 WeakPolarHBondContact O-CB 3.42Å; L220-S224 PolarHBondContact O-N 2.88Å; L220-S224 PolarHBondContact O-OG 2.95Å; K221-S224 PolarHBondContact O-OG 2.98Å; H222-S224 PolarHBondContact O-N 2.92Å; S224-H248 WeakPolarHBondContact CB-O 3.4Å
225R96.1Very high98Very high158 Ų15837.7 Ų37.760%0.59619%0.192SC*.Hα-helixtrans-87-40.3-179.6-71.4178.1172.7-161.8-6.8113.4M193 K221 H222 I223M193-R225 HydrophobicContact CE-CB 4.4Å; M193-R225 HydrophobicContact SD-CB 3.69Å; K221-R225 VanDerWaalsContact O-CG 3.31Å; K221-R225 WeakPolarHBondContact O-CG 3.34Å; K221-R225 PolarHBondContact O-N 2.95Å; H222-R225 PolarHBondContact O-N 2.89Å; I223-R225 VanDerWaalsContact C-N 3.25Å; I223-R225 PolarHBondContact O-N 2.65Å
226G95.7Very high98Very high6 Ų637.8 Ų37.86%0.06219%0.193CC..Hα-helixtrans-96.3-40.8-173.600000114.5A191 L202 H222 T228A191-G226 VanDerWaalsContact O-CA 3.26Å; A191-G226 WeakPolarHBondContact O-CA 3.46Å; L202-G226 WeakPolarHBondContact CD2-O 3.31Å; H222-G226 PolarHBondContact O-N 2.79Å; G226-T228 VanDerWaalsContact C-N 3.32Å; G226-T228 PolarHBondContact O-N 3.39Å
227L97.3Very high98Very high0 Ų038.6 Ų38.60%019%0.191CC..  trans-96.756.4-172.9-52.4-176.6000110.8A191 L204 L207 I223 G229 L230 M252A191-L227 HydrophobicContact CB-CG 4.3Å; L204-L227 HydrophobicContact CB-CD2 4.34Å; L204-L227 HydrophobicContact CD2-CD1 4.14Å; L207-L227 HydrophobicContact CD2-CD1 3.75Å; I223-L227 HydrophobicContact CG1-CD1 4.14Å; I223-L227 HydrophobicContact CG2-CB 4.41Å; I223-L227 HydrophobicContact CG2-CD1 4.37Å; I223-L227 WeakPolarHBondContact O-CA 3.43Å; I223-L227 WeakPolarHBondContact O-CB 3.44Å; I223-L227 PolarHBondContact O-N 3.27Å; L227-G229 PolarHBondContact O-N 2.52Å; L227-L230 HydrophobicContact CB-CB 4.12Å; L227-L230 WeakPolarHBondContact O-CB 3.34Å; L227-L230 PolarHBondContact O-N 2.84Å; L227-M252 VanDerWaalsContact O-CE 3.31Å; L227-M252 WeakPolarHBondContact O-CE 3.4Å
228T96.1Very high98Very high97 Ų9737 Ų3760%0.59518%0.183SC*.THydrogen-bonded Turntrans-67.7-15.1-173.558.40000114.1G226 S254G226-T228 VanDerWaalsContact C-N 3.32Å; G226-T228 PolarHBondContact O-N 3.39Å; T228-S254 WeakPolarHBondContact O-CB 3.33Å; T228-S254 PolarHBondContact O-OG 3.18Å
229G97.3Very high97.9Very high32 Ų3234.6 Ų34.633%0.3318%0.176SC..THydrogen-bonded Turntrans-90-2.9172.400000114.6L227 R231L227-G229 PolarHBondContact O-N 2.52Å; G229-R231 VanDerWaalsContact O-CG 3.31Å; G229-R231 WeakPolarHBondContact O-CG 3.38Å; G229-R231 PolarHBondContact O-N 3.08Å
230L98.6Very high97.9Very high0 Ų036.1 Ų36.10%019%0.192CC..  trans-64.8129.7-171.4-164.674.7000111.5L204 L207 I223 L227 L233 M252 S254 L255L204-L230 HydrophobicContact CD2-CD1 4.33Å; L204-L230 HydrophobicContact CG-CD1 4.3Å; L204-L230 WeakPolarHBondContact O-CA 3.44Å; L204-L230 PolarHBondContact O-N 3.2Å; L207-L230 HydrophobicContact CB-CD1 3.75Å; L207-L230 HydrophobicContact CB-CD2 4.27Å; I223-L230 HydrophobicContact CG2-CD2 3.75Å; L227-L230 HydrophobicContact CB-CB 4.12Å; L227-L230 WeakPolarHBondContact O-CB 3.34Å; L227-L230 PolarHBondContact O-N 2.84Å; L230-L233 HydrophobicContact CD2-CB 3.93Å; L230-L233 HydrophobicContact CD2-CD1 4.13Å; L230-L233 HydrophobicContact CD2-CD2 4.29Å; L230-L233 HydrophobicContact CD2-CG 4.34Å; L230-M252 HydrophobicContact CB-CE 3.86Å; L230-M252 HydrophobicContact CD2-CE 4.29Å; L230-S254 PolarHBondContact N-OG 3.11Å; L230-S254 CarbonylContact O-C 3.03Å; L230-S254 VanDerWaalsContact O-C 3.23Å; L230-S254 WeakPolarHBondContact O-CB 3.34Å; L230-S254 PolarHBondContact O-OG 3.06Å; L230-L255 WeakPolarHBondContact O-CA 3.37Å; L230-L255 PolarHBondContact O-N 3.07Å
231R98.6Very high97.9Very high126 Ų12636.1 Ų36.148%0.47519%0.192SC..  trans-111.6-33-175.6-52-178.677.1-170.15.3112.2E205 G229 R256 S257E205-R231 HydrophobicContact CB-CG 4.4Å; E205-R231 WeakPolarHBondContact O-CA 3.21Å; E205-R231 PolarHBondContact O-N 3.02Å; E205-R231 IonicContact OE2-NH1 3.38Å; G229-R231 VanDerWaalsContact O-CG 3.31Å; G229-R231 WeakPolarHBondContact O-CG 3.38Å; G229-R231 PolarHBondContact O-N 3.08Å; R231-R256 HydrophobicContact CB-CG 4.49Å; R231-R256 CarbonylContact O-C 3.26Å; R231-R256 WeakPolarHBondContact O-CA 3.18Å; R231-R256 PolarHBondContact O-N 3.26Å; R231-S257 PolarHBondContact O-N 3.39Å
232L98.8Very high97.9Very high52 Ų5234.2 Ų34.227%0.27219%0.187SC..EExtended strand (participates in β ladder)trans-126.3125177.8-173.9155.4000109.9E205 Q206 L207 N234 S257E205-L232 PolarHBondContact O-N 3.23Å; Q206-L232 WeakPolarHBondContact CA-O 3.19Å; Q206-L232 HydrophobicContact CB-CB 4.26Å; Q206-L232 HydrophobicContact CG-CB 4.04Å; L207-L232 PolarHBondContact N-O 3.04Å; L232-N234 HydrophobicContact CD2-CB 4.5Å; L232-S257 WeakPolarHBondContact CA-O 3.4Å
233L98.9Very high97.9Very high1 Ų134 Ų341%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-128.3122.5173.8-178.755.6000109.9L207 L209 I223 L230 L235 L249 L255 S257 L258 N259L207-L233 HydrophobicContact CB-CD1 4.21Å; L207-L233 HydrophobicContact CD2-CD1 4.33Å; L207-L233 HydrophobicContact CG-CD1 4.25Å; L207-L233 WeakPolarHBondContact O-CA 3.33Å; L209-L233 HydrophobicContact CD1-CD1 4.37Å; I223-L233 HydrophobicContact CD1-CD1 4.15Å; I223-L233 HydrophobicContact CD1-CD2 4.38Å; I223-L233 HydrophobicContact CG2-CD2 4.2Å; L230-L233 HydrophobicContact CD2-CB 3.93Å; L230-L233 HydrophobicContact CD2-CD1 4.13Å; L230-L233 HydrophobicContact CD2-CD2 4.29Å; L230-L233 HydrophobicContact CD2-CG 4.34Å; L233-L235 HydrophobicContact CD1-CD1 4.37Å; L233-L235 HydrophobicContact CD1-CD2 4.38Å; L233-L235 HydrophobicContact CD1-CG 4.06Å; L233-L235 HydrophobicContact CD2-CD1 3.72Å; L233-L235 HydrophobicContact CD2-CG 4.32Å; L233-L235 HydrophobicContact CG-CD1 3.84Å; L233-L235 HydrophobicContact CG-CG 3.94Å; L233-L249 HydrophobicContact CD2-CD1 3.94Å; L233-L249 HydrophobicContact CD2-CD2 4.03Å; L233-L255 HydrophobicContact CB-CD1 3.92Å; L233-S257 PolarHBondContact N-O 3.2Å; L233-L258 HydrophobicContact CB-CD1 4.08Å; L233-L258 HydrophobicContact CD2-CD1 4.17Å; L233-L258 HydrophobicContact CG-CD1 4.14Å; L233-L258 WeakPolarHBondContact O-CA 3.23Å; L233-N259 PolarHBondContact O-N 2.84Å
234N98.9Very high97.9Very high26 Ų2636.7 Ų36.714%0.13921%0.209CC..EExtended strand (participates in β ladder)trans-116113.3173.8-179.5-5.9000110L207 T208 L209 Q210 L232 S236 N259L207-N234 PolarHBondContact O-N 3.33Å; T208-N234 HydrophobicContact CG2-CB 4.14Å; L209-N234 CarbonylContact C-O 3.6Å; L209-N234 WeakPolarHBondContact CA-O 3.27Å; L209-N234 PolarHBondContact N-O 3.35Å; Q210-N234 PolarHBondContact N-O 3.25Å; L232-N234 HydrophobicContact CD2-CB 4.5Å; N234-S236 WeakPolarHBondContact OD1-CB 3.42Å; N234-S236 PolarHBondContact OD1-N 2.81Å; N234-S236 PolarHBondContact OD1-OG 3.04Å; N234-N259 HydrophobicContact CB-CB 4.21Å
235L98.8Very high98Very high0 Ų035.5 Ų35.50%020%0.201CC..  trans-116.615.8179.1-68.7158.4000111.4L209 L220 L233 F237 C238 L249 L258 N259 L260 C263L209-L235 HydrophobicContact CB-CD2 4.12Å; L209-L235 HydrophobicContact CD1-CD2 4.02Å; L220-L235 HydrophobicContact CD1-CD1 4.3Å; L220-L235 HydrophobicContact CD2-CD1 3.45Å; L220-L235 VanDerWaalsContact CD2-CD1 3.45Å; L220-L235 HydrophobicContact CD2-CD2 4.01Å; L220-L235 HydrophobicContact CD2-CG 4.37Å; L233-L235 HydrophobicContact CD1-CD1 4.37Å; L233-L235 HydrophobicContact CD1-CD2 4.38Å; L233-L235 HydrophobicContact CD1-CG 4.06Å; L233-L235 HydrophobicContact CD2-CD1 3.72Å; L233-L235 HydrophobicContact CD2-CG 4.32Å; L233-L235 HydrophobicContact CG-CD1 3.84Å; L233-L235 HydrophobicContact CG-CG 3.94Å; L235-F237 PolarHBondContact O-N 3.35Å; L235-C238 WeakPolarHBondContact O-CB 3.25Å; L235-C238 PolarHBondContact O-N 3.49Å; L235-C238 VanDerWaalsContact O-N 3.09Å; L235-C238 PolarHBondContact O-SG 3.11Å; L235-L249 HydrophobicContact CD1-CD1 4.37Å; L235-L258 HydrophobicContact CD1-CD1 4.4Å; L235-N259 PolarHBondContact N-O 3.14Å; L235-L260 HydrophobicContact CB-CD2 4.2Å; L235-L260 HydrophobicContact CD1-CD2 4.03Å; L235-C263 PolarHBondContact O-SG 3.09Å
236S98.7Very high98.1Very high3 Ų328 Ų282%0.02117%0.173CC..THydrogen-bonded Turntrans-53.1142.7-177.853.60000112Q210 D211 N234 C238 N259 R261Q210-S236 CarbonylContact C-O 3.51Å; Q210-S236 VanDerWaalsContact CA-O 3.23Å; Q210-S236 WeakPolarHBondContact CA-O 3.34Å; Q210-S236 WeakPolarHBondContact CB-OG 3.49Å; Q210-S236 VanDerWaalsContact CD-OG 3.31Å; Q210-S236 WeakPolarHBondContact CG-OG 3.41Å; D211-S236 PolarHBondContact N-O 3.12Å; N234-S236 WeakPolarHBondContact OD1-CB 3.42Å; N234-S236 PolarHBondContact OD1-N 2.81Å; N234-S236 PolarHBondContact OD1-OG 3.04Å; S236-C238 VanDerWaalsContact C-N 3.25Å; S236-C238 PolarHBondContact O-N 3.1Å; S236-N259 WeakPolarHBondContact CB-OD1 3.3Å; S236-N259 PolarHBondContact N-O 3.3Å; S236-R261 CarbonylContact C-O 3.56Å; S236-R261 WeakPolarHBondContact CA-O 3.35Å; S236-R261 WeakPolarHBondContact CB-O 3.44Å
237F98.4Very high98.2Very high75 Ų7531.3 Ų31.333%0.32919%0.188SC..THydrogen-bonded Turntrans60.425.7-175.8-52.9-91.7000114.2Q210 D211 Q213 L235 R261 S262Q210-F237 HydrophobicContact CG-CD2 4.1Å; D211-F237 HydrophobicContact CB-CB 4.27Å; Q213-F237 PolarHBondContact NE2-O 2.75Å; Q213-F237 PolarHBondContact OE1-O 2.76Å; L235-F237 PolarHBondContact O-N 3.35Å; F237-R261 PolarHBondContact N-O 3.32Å; F237-S262 WeakPolarHBondContact CA-O 3.18Å
238C98.2Very high98.2Very high0 Ų034.1 Ų34.10%020%0.202CC..  trans-96.991.5173.6-63.40000110.8L209 L235 S236 G240 I241L209-C238 PolarHBondContact O-SG 3.39Å; L235-C238 WeakPolarHBondContact O-CB 3.25Å; L235-C238 PolarHBondContact O-N 3.49Å; L235-C238 VanDerWaalsContact O-N 3.09Å; L235-C238 PolarHBondContact O-SG 3.11Å; S236-C238 VanDerWaalsContact C-N 3.25Å; S236-C238 PolarHBondContact O-N 3.1Å; C238-G240 PolarHBondContact O-N 3.3Å; C238-G240 VanDerWaalsContact O-N 3.16Å; C238-I241 HydrophobicContact CB-CG1 3.69Å; C238-I241 PolarHBondContact O-N 3.42Å
239G96.1Very high98.3Very high25 Ų2529.5 Ų29.526%0.25817%0.173SC..THydrogen-bonded Turntrans-65.2-18.3-173.900000115.8I241 N265G239-I241 VanDerWaalsContact C-N 3.32Å; G239-N265 PolarHBondContact O-ND2 2.81Å
240G97.9Very high98.3Very high31 Ų3128.1 Ų28.132%0.3216%0.159SC..THydrogen-bonded Turntrans-82.6-2.8177.300000115.1L215 T216 C238L215-G240 CarbonylContact O-C 3.4Å; L215-G240 WeakPolarHBondContact O-CA 3.21Å; T216-G240 WeakPolarHBondContact CA-O 3.2Å; C238-G240 PolarHBondContact O-N 3.3Å; C238-G240 VanDerWaalsContact O-N 3.16Å
241I98.6Very high98Very high0 Ų034.4 Ų34.40%019%0.188CC..  trans-90.7130.6178.6-56.2-54.5000110.2L215 T216 L220 C238 G239 N265 I266L215-I241 HydrophobicContact CB-CD1 4.45Å; T216-I241 WeakPolarHBondContact O-CD1 3.43Å; L220-I241 HydrophobicContact CD1-CD1 4.21Å; L220-I241 HydrophobicContact CD1-CG2 3.53Å; L220-I241 HydrophobicContact CD2-CD1 4.22Å; L220-I241 HydrophobicContact CG-CD1 4Å; L220-I241 HydrophobicContact CG-CG2 4.49Å; C238-I241 HydrophobicContact CB-CG1 3.69Å; C238-I241 PolarHBondContact O-N 3.42Å; G239-I241 VanDerWaalsContact C-N 3.32Å; I241-N265 WeakPolarHBondContact O-CB 3.04Å; I241-I266 HydrophobicContact CG2-CD1 4.25Å
242S98.7Very high97.8Very high31 Ų3128.8 Ų28.822%0.21717%0.167CC..BIsolated β-bridgetrans-127.5177.5-178.988.60000112.9D217 A244 G245 L246 I266D217-S242 PolarHBondContact OD1-N 3.48Å; D217-S242 PolarHBondContact OD2-OG 3.25Å; S242-A244 PolarHBondContact O-N 3.33Å; S242-A244 PolarHBondContact OG-N 3.16Å; S242-G245 PolarHBondContact O-N 2.77Å; S242-L246 PolarHBondContact O-N 3.23Å; S242-I266 VanDerWaalsContact C-CD1 3.43Å
243D98.8Very high97.6Very high28 Ų2828 Ų2815%0.1517%0.171CC..Hα-helixtrans-52.2-35.7173.6-64.6-26.9000113.1G245 L246 L247 N265 I266 S267 G270D243-G245 VanDerWaalsContact C-N 3.3Å; D243-G245 PolarHBondContact O-N 3.49Å; D243-L246 PolarHBondContact O-N 2.65Å; D243-L246 VanDerWaalsContact O-N 3.16Å; D243-L247 PolarHBondContact O-N 3.39Å; D243-N265 PolarHBondContact N-O 3.29Å; D243-I266 WeakPolarHBondContact OD1-CA 3.48Å; D243-S267 PolarHBondContact OD1-N 3.41Å; D243-S267 WeakPolarHBondContact OD2-CB 3.48Å; D243-S267 PolarHBondContact OD2-OG 2.82Å; D243-G270 WeakPolarHBondContact OD1-CA 3.43Å; D243-G270 PolarHBondContact OD1-N 3.02Å
244A98.5Very high97.5Very high55 Ų5529 Ų2946%0.45518%0.178SC..Hα-helixtrans-65.1-34.4178.300000112.2S242 L247S242-A244 PolarHBondContact O-N 3.33Å; S242-A244 PolarHBondContact OG-N 3.16Å; A244-L247 WeakPolarHBondContact O-CB 3.09Å; A244-L247 PolarHBondContact O-N 3.01Å
245G98.4Very high97.5Very high0 Ų027.8 Ų27.80%017%0.172CC..Hα-helixtrans-69.5-34.3173.600000112.9D217 L220 S242 D243 L247 H248 L249D217-G245 VanDerWaalsContact CG-CA 3.43Å; D217-G245 VanDerWaalsContact OD1-CA 3.24Å; D217-G245 WeakPolarHBondContact OD1-CA 3.23Å; D217-G245 PolarHBondContact OD1-N 3.48Å; D217-G245 PolarHBondContact OD2-N 2.8Å; L220-G245 WeakPolarHBondContact CD1-O 3.23Å; S242-G245 PolarHBondContact O-N 2.77Å; D243-G245 VanDerWaalsContact C-N 3.3Å; D243-G245 PolarHBondContact O-N 3.49Å; G245-L247 VanDerWaalsContact C-N 3.29Å; G245-L247 PolarHBondContact O-N 2.94Å; G245-H248 WeakPolarHBondContact O-CB 3.41Å; G245-H248 PolarHBondContact O-N 3.41Å; G245-H248 VanDerWaalsContact O-N 3.11Å; G245-L249 PolarHBondContact O-N 3Å
246L98.7Very high97.5Very high0 Ų031.6 Ų31.60%019%0.186CC..Hα-helixtrans-67.6-28.4176.9-62.1-168.2000112.9L220 S242 D243 H248 L249 S250 L260 I266 L274L220-L246 HydrophobicContact CD1-CD2 4.27Å; S242-L246 PolarHBondContact O-N 3.23Å; D243-L246 PolarHBondContact O-N 2.65Å; D243-L246 VanDerWaalsContact O-N 3.16Å; L246-H248 PolarHBondContact O-N 2.86Å; L246-L249 HydrophobicContact CD2-CD1 4Å; L246-L249 PolarHBondContact O-N 2.9Å; L246-L249 VanDerWaalsContact O-N 3.1Å; L246-S250 PolarHBondContact O-N 3.34Å; L246-L260 HydrophobicContact CD1-CD1 3.81Å; L246-L260 HydrophobicContact CD2-CD1 3.72Å; L246-L260 HydrophobicContact CD2-CD2 3.87Å; L246-L260 HydrophobicContact CD2-CG 4.45Å; L246-L260 HydrophobicContact CG-CD1 4.45Å; L246-I266 HydrophobicContact CD1-CD1 3.56Å; L246-I266 HydrophobicContact CD1-CG1 4.25Å; L246-I266 HydrophobicContact CD1-CG2 3.87Å; L246-I266 HydrophobicContact CD2-CD1 4.29Å; L246-I266 HydrophobicContact CG-CD1 3.74Å; L246-L274 HydrophobicContact CB-CD2 4.08Å; L246-L274 HydrophobicContact CB-CG 4.23Å; L246-L274 HydrophobicContact CD1-CD1 3.95Å; L246-L274 HydrophobicContact CD1-CG 4.17Å; L246-L274 HydrophobicContact CD2-CD2 4.39Å
247L98.1Very high97.5Very high75 Ų7533.3 Ų33.339%0.39320%0.198SC..Hα-helixtrans-56-38.4170179.162.1000111.6D243 A244 G245 S250D243-L247 PolarHBondContact O-N 3.39Å; A244-L247 WeakPolarHBondContact O-CB 3.09Å; A244-L247 PolarHBondContact O-N 3.01Å; G245-L247 VanDerWaalsContact C-N 3.29Å; G245-L247 PolarHBondContact O-N 2.94Å; L247-S250 WeakPolarHBondContact O-CB 3.32Å; L247-S250 PolarHBondContact O-N 2.92Å; L247-S250 PolarHBondContact O-OG 2.84Å
248H97.9Very high97.5Very high60 Ų6029.8 Ų29.828%0.27818%0.183SC..Hα-helixtrans-66.6-39.8176-65.6-44.6000112.7L220 S224 G245 L246 S250L220-H248 HydrophobicContact CB-CB 4.47Å; S224-H248 WeakPolarHBondContact CB-O 3.4Å; G245-H248 WeakPolarHBondContact O-CB 3.41Å; G245-H248 PolarHBondContact O-N 3.41Å; G245-H248 VanDerWaalsContact O-N 3.11Å; L246-H248 PolarHBondContact O-N 2.86Å; H248-S250 VanDerWaalsContact C-N 3.28Å; H248-S250 PolarHBondContact O-N 3.03Å
249L98Very high97.5Very high0 Ų031.4 Ų31.40%019%0.191CC..Hα-helixtrans-71-24.1178.8-58.3-174.9000112.7L220 I223 L233 L235 G245 L246 H251 M252 L258 L274 L279L220-L249 HydrophobicContact CB-CD2 4.08Å; L220-L249 HydrophobicContact CB-CG 4.23Å; L220-L249 HydrophobicContact CD1-CD1 3.88Å; L220-L249 HydrophobicContact CD1-CG 4.09Å; L220-L249 HydrophobicContact CD2-CD1 4.31Å; L220-L249 HydrophobicContact CD2-CD2 4.33Å; I223-L249 HydrophobicContact CG2-CD2 4.32Å; L233-L249 HydrophobicContact CD2-CD1 3.94Å; L233-L249 HydrophobicContact CD2-CD2 4.03Å; L235-L249 HydrophobicContact CD1-CD1 4.37Å; G245-L249 PolarHBondContact O-N 3Å; L246-L249 HydrophobicContact CD2-CD1 4Å; L246-L249 PolarHBondContact O-N 2.9Å; L246-L249 VanDerWaalsContact O-N 3.1Å; L249-H251 PolarHBondContact O-N 3.39Å; L249-M252 HydrophobicContact CD2-SD 3.49Å; L249-M252 WeakPolarHBondContact CD2-SD 3.22Å; L249-M252 WeakPolarHBondContact O-CB 3.37Å; L249-M252 PolarHBondContact O-N 3.2Å; L249-L258 HydrophobicContact CD1-CD1 4.12Å; L249-L258 HydrophobicContact CD1-CD2 4.21Å; L249-L274 HydrophobicContact CB-CD2 4.18Å; L249-L279 VanDerWaalsContact O-CD2 3.28Å; L249-L279 WeakPolarHBondContact O-CD2 3.35Å
250S96.8Very high97.6Very high3 Ų330.2 Ų30.22%0.02118%0.179CC..THydrogen-bonded Turntrans-55.6-22.1-176.674.90000114.8L246 L247 H248 H273 G277 S278L246-S250 PolarHBondContact O-N 3.34Å; L247-S250 WeakPolarHBondContact O-CB 3.32Å; L247-S250 PolarHBondContact O-N 2.92Å; L247-S250 PolarHBondContact O-OG 2.84Å; H248-S250 VanDerWaalsContact C-N 3.28Å; H248-S250 PolarHBondContact O-N 3.03Å; S250-H273 WeakPolarHBondContact CB-O 3.14Å; S250-G277 CarbonylContact O-C 3.44Å; S250-G277 WeakPolarHBondContact O-CA 3.44Å; S250-S278 PolarHBondContact O-N 3.49Å
251H92.2Very high97.7Very high132 Ų13232.1 Ų32.161%0.61118%0.177SC*.THydrogen-bonded Turntrans-97.62.2-179.5-57.2-61.9000113.9L249 G253 S278L249-H251 PolarHBondContact O-N 3.39Å; H251-G253 PolarHBondContact O-N 3.04Å; H251-S278 PolarHBondContact O-OG 3.38Å
252M95.6Very high97.7Very high7 Ų733 Ų333%0.03418%0.183CC..  trans-82.578.2-176.9-65.4-174.173.500112.3I223 L227 L230 L249 S254 L255 L279I223-M252 HydrophobicContact CG2-CE 3.85Å; I223-M252 HydrophobicContact CG2-SD 4.01Å; L227-M252 VanDerWaalsContact O-CE 3.31Å; L227-M252 WeakPolarHBondContact O-CE 3.4Å; L230-M252 HydrophobicContact CB-CE 3.86Å; L230-M252 HydrophobicContact CD2-CE 4.29Å; L249-M252 HydrophobicContact CD2-SD 3.49Å; L249-M252 WeakPolarHBondContact CD2-SD 3.22Å; L249-M252 WeakPolarHBondContact O-CB 3.37Å; L249-M252 PolarHBondContact O-N 3.2Å; M252-S254 PolarHBondContact O-N 3.23Å; M252-L255 HydrophobicContact CB-CB 4.08Å; M252-L255 WeakPolarHBondContact O-CB 3.47Å; M252-L255 PolarHBondContact O-N 3.2Å; M252-L279 HydrophobicContact CB-CD2 4.12Å; M252-L279 WeakPolarHBondContact O-CD2 3.28Å
253G94.4Very high97.6Very high35 Ų3531.6 Ų31.636%0.36117%0.173SC..THydrogen-bonded Turntrans-58.1-14.7-177.800000116H251 R256H251-G253 PolarHBondContact O-N 3.04Å; G253-R256 PolarHBondContact O-NH1 3.09Å; G253-R256 PolarHBondContact O-NH2 2.59Å
254S96.6Very high97.5Very high23 Ų2334.4 Ų34.416%0.16119%0.188CC..THydrogen-bonded Turntrans-82-21.7173.661.60000114T228 L230 M252 R256T228-S254 WeakPolarHBondContact O-CB 3.33Å; T228-S254 PolarHBondContact O-OG 3.18Å; L230-S254 PolarHBondContact N-OG 3.11Å; L230-S254 CarbonylContact O-C 3.03Å; L230-S254 VanDerWaalsContact O-C 3.23Å; L230-S254 WeakPolarHBondContact O-CB 3.34Å; L230-S254 PolarHBondContact O-OG 3.06Å; M252-S254 PolarHBondContact O-N 3.23Å; S254-R256 PolarHBondContact O-N 3.4Å; S254-R256 PolarHBondContact O-NH1 2.81Å
255L98.2Very high97.5Very high0 Ų035.3 Ų35.30%019%0.185CC..  trans-68.9131.5-172.5-163.567.1000109.9L230 L233 M252 L258 L279 L281L230-L255 WeakPolarHBondContact O-CA 3.37Å; L230-L255 PolarHBondContact O-N 3.07Å; L233-L255 HydrophobicContact CB-CD1 3.92Å; M252-L255 HydrophobicContact CB-CB 4.08Å; M252-L255 WeakPolarHBondContact O-CB 3.47Å; M252-L255 PolarHBondContact O-N 3.2Å; L255-L258 HydrophobicContact CD2-CB 4.26Å; L255-L258 HydrophobicContact CD2-CD1 4.47Å; L255-L258 HydrophobicContact CD2-CD2 4.34Å; L255-L279 HydrophobicContact CB-CD2 4.06Å; L255-L279 HydrophobicContact CD2-CD2 4.4Å; L255-L281 HydrophobicContact CB-CD2 4.29Å; L255-L281 HydrophobicContact CD2-CD2 4.12Å; L255-L281 HydrophobicContact CG-CD2 3.92Å
256R98.3Very high97.5Very high80 Ų8035.3 Ų35.330%0.30219%0.185SC..  trans-123.4-27-176.9-62.3-64.1173.7-88.6-2.9112.2R231 G253 S254 R280 S282 G283R231-R256 HydrophobicContact CB-CG 4.49Å; R231-R256 CarbonylContact O-C 3.26Å; R231-R256 WeakPolarHBondContact O-CA 3.18Å; R231-R256 PolarHBondContact O-N 3.26Å; G253-R256 PolarHBondContact O-NH1 3.09Å; G253-R256 PolarHBondContact O-NH2 2.59Å; S254-R256 PolarHBondContact O-N 3.4Å; S254-R256 PolarHBondContact O-NH1 2.81Å; R256-R280 VanDerWaalsContact CD-O 3.31Å; R256-R280 WeakPolarHBondContact CD-O 3.39Å; R256-S282 WeakPolarHBondContact O-CA 3.41Å; R256-S282 PolarHBondContact O-N 3.16Å; R256-S282 PolarHBondContact O-OG 3.1Å; R256-G283 PolarHBondContact O-N 3.1Å
257S98.7Very high97.5Very high40 Ų4036.4 Ų36.428%0.2819%0.193SC..EExtended strand (participates in β ladder)trans-137.6126.7178.7-176.80000110.1R231 L232 L233 G283R231-S257 PolarHBondContact O-N 3.39Å; L232-S257 WeakPolarHBondContact CA-O 3.4Å; L233-S257 PolarHBondContact N-O 3.2Å; S257-G283 WeakPolarHBondContact CA-O 3.09Å
258L98.8Very high97.6Very high1 Ų134.7 Ų34.71%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-129.7123.8177.9-179.456.7000109.5L233 L235 L249 L255 L260 L274 L281 G283 L284 D285L233-L258 HydrophobicContact CB-CD1 4.08Å; L233-L258 HydrophobicContact CD2-CD1 4.17Å; L233-L258 HydrophobicContact CG-CD1 4.14Å; L233-L258 WeakPolarHBondContact O-CA 3.23Å; L235-L258 HydrophobicContact CD1-CD1 4.4Å; L249-L258 HydrophobicContact CD1-CD1 4.12Å; L249-L258 HydrophobicContact CD1-CD2 4.21Å; L255-L258 HydrophobicContact CD2-CB 4.26Å; L255-L258 HydrophobicContact CD2-CD1 4.47Å; L255-L258 HydrophobicContact CD2-CD2 4.34Å; L258-L260 HydrophobicContact CD1-CD2 4.24Å; L258-L260 HydrophobicContact CD1-CG 4.15Å; L258-L260 HydrophobicContact CD2-CD1 3.84Å; L258-L260 HydrophobicContact CD2-CG 4.27Å; L258-L260 HydrophobicContact CG-CD1 4.02Å; L258-L260 HydrophobicContact CG-CG 3.93Å; L258-L274 HydrophobicContact CD2-CD1 3.73Å; L258-L274 HydrophobicContact CD2-CD2 3.93Å; L258-L281 HydrophobicContact CB-CD1 4.35Å; L258-L281 HydrophobicContact CB-CD2 4.2Å; L258-G283 PolarHBondContact N-O 3.35Å; L258-L284 HydrophobicContact CB-CD1 4.19Å; L258-L284 HydrophobicContact CD2-CD1 4.35Å; L258-L284 HydrophobicContact CG-CD1 4.32Å; L258-L284 WeakPolarHBondContact O-CA 3.33Å; L258-D285 PolarHBondContact O-N 2.7Å
259N98.9Very high97.6Very high33 Ų3335 Ų3518%0.17619%0.19CC..EExtended strand (participates in β ladder)trans-115116.8173.8-167.5-37.2000110.2L233 N234 L235 S236 R261 D285L233-N259 PolarHBondContact O-N 2.84Å; N234-N259 HydrophobicContact CB-CB 4.21Å; L235-N259 PolarHBondContact N-O 3.14Å; S236-N259 WeakPolarHBondContact CB-OD1 3.3Å; S236-N259 PolarHBondContact N-O 3.3Å; N259-R261 WeakPolarHBondContact OD1-CB 3.5Å; N259-R261 PolarHBondContact OD1-N 3.45Å; N259-D285 HydrophobicContact CB-CB 4.34Å; N259-D285 PolarHBondContact ND2-OD2 3.48Å
260L98.8Very high97.6Very high0 Ų035 Ų350%019%0.19CC..  trans-120.818.5-179.9-65.1166.3000111.3L235 L246 L258 S262 C263 L274 D285 V286 C289L235-L260 HydrophobicContact CB-CD2 4.2Å; L235-L260 HydrophobicContact CD1-CD2 4.03Å; L246-L260 HydrophobicContact CD1-CD1 3.81Å; L246-L260 HydrophobicContact CD2-CD1 3.72Å; L246-L260 HydrophobicContact CD2-CD2 3.87Å; L246-L260 HydrophobicContact CD2-CG 4.45Å; L246-L260 HydrophobicContact CG-CD1 4.45Å; L258-L260 HydrophobicContact CD1-CD2 4.24Å; L258-L260 HydrophobicContact CD1-CG 4.15Å; L258-L260 HydrophobicContact CD2-CD1 3.84Å; L258-L260 HydrophobicContact CD2-CG 4.27Å; L258-L260 HydrophobicContact CG-CD1 4.02Å; L258-L260 HydrophobicContact CG-CG 3.93Å; L260-S262 PolarHBondContact O-N 2.71Å; L260-C263 VanDerWaalsContact O-CB 3.3Å; L260-C263 WeakPolarHBondContact O-CB 3.41Å; L260-C263 PolarHBondContact O-N 3.27Å; L260-C263 VanDerWaalsContact O-N 3.14Å; L260-C263 PolarHBondContact O-SG 3.34Å; L260-L274 HydrophobicContact CD1-CD1 4.09Å; L260-D285 WeakPolarHBondContact CA-O 3.34Å; L260-D285 PolarHBondContact N-O 2.86Å; L260-V286 HydrophobicContact CB-CG1 4.27Å; L260-V286 HydrophobicContact CD1-CG1 4.22Å; L260-C289 PolarHBondContact O-SG 3.2Å; L260-C289 VanDerWaalsContact O-SG 3.32Å
261R98.7Very high97.7Very high72 Ų7234.8 Ų34.827%0.27219%0.189SC..THydrogen-bonded Turntrans-50.8133.3-179.3173.2-174.2176.892.97.7111.2S236 F237 N259 C263 D285 S287 F288S236-R261 CarbonylContact C-O 3.56Å; S236-R261 WeakPolarHBondContact CA-O 3.35Å; S236-R261 WeakPolarHBondContact CB-O 3.44Å; F237-R261 PolarHBondContact N-O 3.32Å; N259-R261 WeakPolarHBondContact OD1-CB 3.5Å; N259-R261 PolarHBondContact OD1-N 3.45Å; R261-C263 VanDerWaalsContact C-N 3.28Å; R261-C263 PolarHBondContact O-N 3.18Å; R261-D285 PolarHBondContact N-O 2.98Å; R261-S287 CarbonylContact C-O 3.48Å; R261-S287 WeakPolarHBondContact CA-O 3.43Å; R261-S287 WeakPolarHBondContact CG-O 3.31Å; R261-F288 HydrophobicContact CG-CD2 4.33Å; R261-F288 VanDerWaalsContact NH1-CD2 3.28Å
262S98.3Very high98Very high19 Ų1931.2 Ų31.213%0.13317%0.173CC..THydrogen-bonded Turntrans54.642.5-180-57.30000112.9F237 L260 S287 F288F237-S262 WeakPolarHBondContact CA-O 3.18Å; L260-S262 PolarHBondContact O-N 2.71Å; S262-S287 PolarHBondContact N-O 3.44Å; S262-F288 WeakPolarHBondContact OG-CB 3.49Å
263C98.2Very high98.1Very high0 Ų033 Ų330%018%0.181CC..  trans-101.389.2165.8-630000108.2L235 L260 R261 N265 I266L235-C263 PolarHBondContact O-SG 3.09Å; L260-C263 VanDerWaalsContact O-CB 3.3Å; L260-C263 WeakPolarHBondContact O-CB 3.41Å; L260-C263 PolarHBondContact O-N 3.27Å; L260-C263 VanDerWaalsContact O-N 3.14Å; L260-C263 PolarHBondContact O-SG 3.34Å; R261-C263 VanDerWaalsContact C-N 3.28Å; R261-C263 PolarHBondContact O-N 3.18Å; C263-N265 PolarHBondContact O-N 3.46Å; C263-I266 HydrophobicContact CB-CG1 3.65Å; C263-I266 WeakPolarHBondContact O-CB 3.24Å; C263-I266 WeakPolarHBondContact O-CG1 3.34Å; C263-I266 PolarHBondContact O-N 2.7Å
264D96.2Very high98.3Very high88 Ų8831.3 Ų31.347%0.47116%0.164SC..THydrogen-bonded Turntrans-63.6-10.2-166-52.4-23.2000115K291D264-K291 WeakPolarHBondContact O-CE 3.27Å; D264-K291 PolarHBondContact O-NZ 3.03Å
265N98.1Very high98.3Very high74 Ų7430.4 Ų30.440%0.39616%0.158SC..BIsolated β-bridgetrans-102.111.4177.4-66.3-46000113.4G239 I241 D243 C263G239-N265 PolarHBondContact O-ND2 2.81Å; I241-N265 WeakPolarHBondContact O-CB 3.04Å; D243-N265 PolarHBondContact N-O 3.29Å; C263-N265 PolarHBondContact O-N 3.46Å
266I98.6Very high98.1Very high0 Ų034.9 Ų34.90%018%0.18CC..  trans-93.3126.9171.5-58.7-49.8000110.3I241 S242 D243 L246 C263 I271 V292I241-I266 HydrophobicContact CG2-CD1 4.25Å; S242-I266 VanDerWaalsContact C-CD1 3.43Å; D243-I266 WeakPolarHBondContact OD1-CA 3.48Å; L246-I266 HydrophobicContact CD1-CD1 3.56Å; L246-I266 HydrophobicContact CD1-CG1 4.25Å; L246-I266 HydrophobicContact CD1-CG2 3.87Å; L246-I266 HydrophobicContact CD2-CD1 4.29Å; L246-I266 HydrophobicContact CG-CD1 3.74Å; C263-I266 HydrophobicContact CB-CG1 3.65Å; C263-I266 WeakPolarHBondContact O-CB 3.24Å; C263-I266 WeakPolarHBondContact O-CG1 3.34Å; C263-I266 PolarHBondContact O-N 2.7Å; I266-I271 HydrophobicContact CG2-CD1 4.03Å; I266-V292 HydrophobicContact CG2-CG2 4.31Å
267S98.7Very high97.8Very high23 Ų2332.4 Ų32.416%0.16118%0.179CC..BIsolated β-bridgetrans-123.9-177.117781.80000112.1D243 T269 G270 I271 K291D243-S267 PolarHBondContact OD1-N 3.41Å; D243-S267 WeakPolarHBondContact OD2-CB 3.48Å; D243-S267 PolarHBondContact OD2-OG 2.82Å; S267-T269 PolarHBondContact O-N 3.3Å; S267-T269 VanDerWaalsContact O-N 3.1Å; S267-T269 PolarHBondContact OG-N 3.12Å; S267-T269 VanDerWaalsContact OG-N 3.12Å; S267-T269 PolarHBondContact OG-OG1 3.45Å; S267-G270 PolarHBondContact O-N 3.24Å; S267-I271 PolarHBondContact O-N 3.05Å; S267-K291 WeakPolarHBondContact CA-O 3.18Å
268D98.7Very high97.3Very high38 Ų3833.6 Ų33.620%0.20319%0.187CC..Hα-helixtrans-51.6-29.6170-66.1-26.5000113.5I271 M272 K291 G293 Q295 S296D268-I271 PolarHBondContact O-N 3.43Å; D268-M272 WeakPolarHBondContact O-CB 3.3Å; D268-M272 PolarHBondContact O-N 2.98Å; D268-K291 PolarHBondContact N-O 2.87Å; D268-G293 PolarHBondContact OD1-N 3.38Å; D268-Q295 HydrophobicContact CB-CB 4.22Å; D268-Q295 WeakPolarHBondContact OD2-CB 3.44Å; D268-S296 WeakPolarHBondContact CA-OG 3.5Å; D268-S296 WeakPolarHBondContact OD1-CB 3.4Å; D268-S296 PolarHBondContact OD1-N 2.96Å; D268-S296 VanDerWaalsContact OD1-N 3.14Å; D268-S296 PolarHBondContact OD1-OG 3.1Å
269T98.6Very high97Very high66 Ų6634 Ų3441%0.40519%0.189SC..Hα-helixtrans-66.9-42.9176.9-49.90000111.9S267 I271 M272 H273S267-T269 PolarHBondContact O-N 3.3Å; S267-T269 VanDerWaalsContact O-N 3.1Å; S267-T269 PolarHBondContact OG-N 3.12Å; S267-T269 VanDerWaalsContact OG-N 3.12Å; S267-T269 PolarHBondContact OG-OG1 3.45Å; T269-I271 VanDerWaalsContact C-N 3.34Å; T269-M272 HydrophobicContact CG2-CE 4.18Å; T269-M272 WeakPolarHBondContact O-CB 3.42Å; T269-M272 PolarHBondContact O-N 3.24Å; T269-H273 PolarHBondContact O-CD2 3.32Å; T269-H273 VanDerWaalsContact O-CD2 3.3Å; T269-H273 PolarHBondContact O-N 3.22Å
270G98.5Very high96.8Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-65.5-39.2176.300000112.1D243 S267 H273 L274D243-G270 WeakPolarHBondContact OD1-CA 3.43Å; D243-G270 PolarHBondContact OD1-N 3.02Å; S267-G270 PolarHBondContact O-N 3.24Å; G270-H273 WeakPolarHBondContact O-CB 3.2Å; G270-H273 PolarHBondContact O-N 3.3Å; G270-L274 PolarHBondContact O-N 3.33Å; G270-L274 VanDerWaalsContact O-N 3.12Å
271I98.6Very high96.7Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-66.4-38.8174.9-55.2-48.3000111.4I266 S267 D268 T269 H273 L274 A275 V286 V292 S296 I300I266-I271 HydrophobicContact CG2-CD1 4.03Å; S267-I271 PolarHBondContact O-N 3.05Å; D268-I271 PolarHBondContact O-N 3.43Å; T269-I271 VanDerWaalsContact C-N 3.34Å; I271-H273 VanDerWaalsContact C-N 3.32Å; I271-H273 PolarHBondContact O-N 3.47Å; I271-L274 HydrophobicContact CD1-CD1 4.32Å; I271-L274 PolarHBondContact O-N 2.97Å; I271-A275 WeakPolarHBondContact O-CB 3.46Å; I271-A275 PolarHBondContact O-N 2.93Å; I271-V286 HydrophobicContact CD1-CB 4.48Å; I271-V286 HydrophobicContact CD1-CG1 3.64Å; I271-V292 HydrophobicContact CG1-CG2 4.19Å; I271-S296 WeakPolarHBondContact CB-OG 3.36Å; I271-S296 VanDerWaalsContact CG1-OG 3.24Å; I271-S296 WeakPolarHBondContact CG1-OG 3.36Å; I271-I300 HydrophobicContact CG2-CD1 3.86Å; I271-I300 HydrophobicContact CG2-CG1 3.54Å
272M98.6Very high96.7Very high56 Ų5639.7 Ų39.728%0.27622%0.216SC..Hα-helixtrans-56-46.1171.2-175.9-17065.900111.2D268 T269 L274 A275 M276 Y299D268-M272 WeakPolarHBondContact O-CB 3.3Å; D268-M272 PolarHBondContact O-N 2.98Å; T269-M272 HydrophobicContact CG2-CE 4.18Å; T269-M272 WeakPolarHBondContact O-CB 3.42Å; T269-M272 PolarHBondContact O-N 3.24Å; M272-L274 PolarHBondContact O-N 3.3Å; M272-A275 PolarHBondContact O-N 3.44Å; M272-M276 HydrophobicContact CG-CG 3.98Å; M272-M276 WeakPolarHBondContact O-CB 3.49Å; M272-M276 VanDerWaalsContact O-CG 3.28Å; M272-M276 WeakPolarHBondContact O-CG 3.21Å; M272-M276 PolarHBondContact O-N 2.91Å; M272-Y299 HydrophobicContact CB-CD1 4.25Å; M272-Y299 HydrophobicContact CB-CD2 3.59Å; M272-Y299 HydrophobicContact CB-CE1 4.28Å; M272-Y299 HydrophobicContact CB-CE2 3.6Å; M272-Y299 HydrophobicContact CB-CG 3.94Å; M272-Y299 HydrophobicContact CG-CD1 3.98Å; M272-Y299 HydrophobicContact CG-CD2 4.19Å; M272-Y299 HydrophobicContact CG-CE1 3.8Å; M272-Y299 HydrophobicContact CG-CE2 4Å; M272-Y299 HydrophobicContact CG-CG 4.19Å; M272-Y299 HydrophobicContact SD-CE1 4.21Å; M272-Y299 HydrophobicContact SD-CE2 4.43Å
273H98.4Very high96.7Very high45 Ų4539.3 Ų39.321%0.20822%0.215CC..Hα-helixtrans-59.5-45.4177.2-70.1-45.3000112.3S250 T269 G270 I271 A275 G277S250-H273 WeakPolarHBondContact CB-O 3.14Å; T269-H273 PolarHBondContact O-CD2 3.32Å; T269-H273 VanDerWaalsContact O-CD2 3.3Å; T269-H273 PolarHBondContact O-N 3.22Å; G270-H273 WeakPolarHBondContact O-CB 3.2Å; G270-H273 PolarHBondContact O-N 3.3Å; I271-H273 VanDerWaalsContact C-N 3.32Å; I271-H273 PolarHBondContact O-N 3.47Å; H273-A275 PolarHBondContact O-N 2.76Å; H273-G277 PolarHBondContact O-N 2.95Å
274L98.1Very high96.7Very high0 Ų039.5 Ų39.50%022%0.215CC..Hα-helixtrans-62.2-43.1177.6-64179.2000112.1L246 L249 L258 L260 G270 I271 M272 L279 L284L246-L274 HydrophobicContact CB-CD2 4.08Å; L246-L274 HydrophobicContact CB-CG 4.23Å; L246-L274 HydrophobicContact CD1-CD1 3.95Å; L246-L274 HydrophobicContact CD1-CG 4.17Å; L246-L274 HydrophobicContact CD2-CD2 4.39Å; L249-L274 HydrophobicContact CB-CD2 4.18Å; L258-L274 HydrophobicContact CD2-CD1 3.73Å; L258-L274 HydrophobicContact CD2-CD2 3.93Å; L260-L274 HydrophobicContact CD1-CD1 4.09Å; G270-L274 PolarHBondContact O-N 3.33Å; G270-L274 VanDerWaalsContact O-N 3.12Å; I271-L274 HydrophobicContact CD1-CD1 4.32Å; I271-L274 PolarHBondContact O-N 2.97Å; M272-L274 PolarHBondContact O-N 3.3Å; L274-L279 HydrophobicContact CB-CD1 3.99Å; L274-L279 HydrophobicContact CD2-CD1 3.6Å; L274-L279 HydrophobicContact CG-CD1 4.37Å; L274-L284 HydrophobicContact CD1-CD1 4.27Å
275A96.9Very high96.8Very high3 Ų336.6 Ų36.63%0.02520%0.2CC..Hα-helixtrans-73-40.7-176.700000113.2I271 M272 H273 G277 Y299 G303 L304I271-A275 WeakPolarHBondContact O-CB 3.46Å; I271-A275 PolarHBondContact O-N 2.93Å; M272-A275 PolarHBondContact O-N 3.44Å; H273-A275 PolarHBondContact O-N 2.76Å; A275-G277 PolarHBondContact O-N 2.98Å; A275-Y299 WeakPolarHBondContact CB-O 3.32Å; A275-G303 VanDerWaalsContact O-CA 3.22Å; A275-G303 WeakPolarHBondContact O-CA 3.48Å; A275-L304 HydrophobicContact CB-CG 4.3Å
276M94.4Very high96.9Very high94 Ų9433.1 Ų33.146%0.46318%0.181SC..Hα-helixtrans-82.7-2.3-178.3-59.6-62.598.100112.9M272 Q302M272-M276 HydrophobicContact CG-CG 3.98Å; M272-M276 WeakPolarHBondContact O-CB 3.49Å; M272-M276 VanDerWaalsContact O-CG 3.28Å; M272-M276 WeakPolarHBondContact O-CG 3.21Å; M272-M276 PolarHBondContact O-N 2.91Å; M276-Q302 HydrophobicContact CE-CB 4.02Å; M276-Q302 HydrophobicContact CE-CG 3.93Å
277G91.3Very high96.9Very high28 Ų2833.1 Ų33.129%0.28918%0.181SC..THydrogen-bonded Turntrans-79.2-165.2174.400000113.8S250 H273 A275 L279S250-G277 CarbonylContact O-C 3.44Å; S250-G277 WeakPolarHBondContact O-CA 3.44Å; H273-G277 PolarHBondContact O-N 2.95Å; A275-G277 PolarHBondContact O-N 2.98Å; G277-L279 VanDerWaalsContact C-N 3.34Å
278S88.7Confident96.8Very high65 Ų6534.7 Ų34.746%0.45519%0.185SC..THydrogen-bonded Turntrans-97.520.1177.365.50000112.8S250 H251S250-S278 PolarHBondContact O-N 3.49Å; H251-S278 PolarHBondContact O-OG 3.38Å
279L92.3Very high96.8Very high9 Ų932.9 Ų32.95%0.04718%0.176CC..  trans-70.2144.3-175.8-72.6-175.5000111.6L249 M252 L255 L274 G277 L281 L304L249-L279 VanDerWaalsContact O-CD2 3.28Å; L249-L279 WeakPolarHBondContact O-CD2 3.35Å; M252-L279 HydrophobicContact CB-CD2 4.12Å; M252-L279 WeakPolarHBondContact O-CD2 3.28Å; L255-L279 HydrophobicContact CB-CD2 4.06Å; L255-L279 HydrophobicContact CD2-CD2 4.4Å; L274-L279 HydrophobicContact CB-CD1 3.99Å; L274-L279 HydrophobicContact CD2-CD1 3.6Å; L274-L279 HydrophobicContact CG-CD1 4.37Å; G277-L279 VanDerWaalsContact C-N 3.34Å; L279-L281 HydrophobicContact CB-CG 4.23Å; L279-L281 HydrophobicContact CD1-CD1 4.11Å; L279-L281 HydrophobicContact CD1-CG 4.23Å; L279-L304 HydrophobicContact CB-CD2 4.34Å
280R93.1Very high96.7Very high181 Ų18134 Ų3468%0.68318%0.179SC*.  trans-121.858.3171.3-64.4-172.4-177.1-171.11.1109.7R256R256-R280 VanDerWaalsContact CD-O 3.31Å; R256-R280 WeakPolarHBondContact CD-O 3.39Å
281L97.7Very high96.7Very high1 Ų138.9 Ų38.91%0.00520%0.2CC..  trans-65.7135.6-178.3-67.3-179.4000110.5L255 L258 L279 L284 L304 G306 L307L255-L281 HydrophobicContact CB-CD2 4.29Å; L255-L281 HydrophobicContact CD2-CD2 4.12Å; L255-L281 HydrophobicContact CG-CD2 3.92Å; L258-L281 HydrophobicContact CB-CD1 4.35Å; L258-L281 HydrophobicContact CB-CD2 4.2Å; L279-L281 HydrophobicContact CB-CG 4.23Å; L279-L281 HydrophobicContact CD1-CD1 4.11Å; L279-L281 HydrophobicContact CD1-CG 4.23Å; L281-L284 HydrophobicContact CD1-CB 4.44Å; L281-L284 HydrophobicContact CD1-CD1 4.22Å; L281-L304 HydrophobicContact CB-CD2 4.49Å; L281-L304 HydrophobicContact CD1-CD1 4.24Å; L281-L304 HydrophobicContact CD1-CD2 4.45Å; L281-G306 CarbonylContact O-C 3.57Å; L281-L307 HydrophobicContact CB-CD1 3.78Å; L281-L307 WeakPolarHBondContact O-CA 3.18Å; L281-L307 PolarHBondContact O-N 3.01Å
282S98.1Very high96.7Very high44 Ų4438.9 Ų38.931%0.30820%0.2SC..SBendtrans-101.7-23168.866.20000112.2R256 K308 S309R256-S282 WeakPolarHBondContact O-CA 3.41Å; R256-S282 PolarHBondContact O-N 3.16Å; R256-S282 PolarHBondContact O-OG 3.1Å; S282-K308 CarbonylContact O-C 3.58Å; S282-K308 WeakPolarHBondContact O-CA 3.42Å; S282-K308 WeakPolarHBondContact O-CB 3.46Å; S282-K308 PolarHBondContact O-N 3.44Å; S282-S309 PolarHBondContact O-N 3.14Å
283G98.6Very high96.6Very high11 Ų1136.6 Ų36.611%0.11319%0.191CC..EExtended strand (participates in β ladder)trans-141.2131.1175.800000112R256 S257 L258 S309R256-G283 PolarHBondContact O-N 3.1Å; S257-G283 WeakPolarHBondContact CA-O 3.09Å; L258-G283 PolarHBondContact N-O 3.35Å; G283-S309 VanDerWaalsContact CA-O 3.3Å; G283-S309 WeakPolarHBondContact CA-O 3.22Å
284L98.7Very high96.7Very high3 Ų336.2 Ų36.22%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-132.1127.8174.4179.262.2000109.4L258 L274 L281 V286 I300 L304 L307 S309 L310 S311L258-L284 HydrophobicContact CB-CD1 4.19Å; L258-L284 HydrophobicContact CD2-CD1 4.35Å; L258-L284 HydrophobicContact CG-CD1 4.32Å; L258-L284 WeakPolarHBondContact O-CA 3.33Å; L274-L284 HydrophobicContact CD1-CD1 4.27Å; L281-L284 HydrophobicContact CD1-CB 4.44Å; L281-L284 HydrophobicContact CD1-CD1 4.22Å; L284-V286 HydrophobicContact CD1-CG1 3.85Å; L284-V286 HydrophobicContact CD2-CG1 4.36Å; L284-V286 HydrophobicContact CG-CG1 3.99Å; L284-I300 HydrophobicContact CD2-CD1 4.13Å; L284-I300 HydrophobicContact CD2-CG1 4.34Å; L284-L304 HydrophobicContact CD2-CD1 3.97Å; L284-L307 HydrophobicContact CB-CD1 3.96Å; L284-L307 HydrophobicContact CB-CD2 4.24Å; L284-S309 PolarHBondContact N-O 3.37Å; L284-L310 HydrophobicContact CB-CD1 4.23Å; L284-L310 HydrophobicContact CD2-CD1 4.3Å; L284-L310 HydrophobicContact CG-CD1 4.38Å; L284-L310 WeakPolarHBondContact O-CA 3.38Å; L284-S311 PolarHBondContact O-N 3.09Å
285D98.9Very high96.7Very high28 Ų2839.5 Ų39.515%0.1521%0.206CC..EExtended strand (participates in β ladder)trans-122.9115.5172.6-177.83.9000109.4L258 N259 L260 R261 S287 S311L258-D285 PolarHBondContact O-N 2.7Å; N259-D285 HydrophobicContact CB-CB 4.34Å; N259-D285 PolarHBondContact ND2-OD2 3.48Å; L260-D285 WeakPolarHBondContact CA-O 3.34Å; L260-D285 PolarHBondContact N-O 2.86Å; R261-D285 PolarHBondContact N-O 2.98Å; D285-S287 WeakPolarHBondContact OD1-CB 3.35Å; D285-S287 PolarHBondContact OD1-N 2.79Å; D285-S287 PolarHBondContact OD1-OG 3.07Å; D285-S311 WeakPolarHBondContact OD1-CB 3.21Å; D285-S311 PolarHBondContact OD1-OG 3.35Å
286V98.7Very high96.7Very high0 Ų039.4 Ų39.40%021%0.205CC..  trans-125.522178.2-66.60000110.1L260 I271 L284 C289 V292 S311 L312 C315L260-V286 HydrophobicContact CB-CG1 4.27Å; L260-V286 HydrophobicContact CD1-CG1 4.22Å; I271-V286 HydrophobicContact CD1-CB 4.48Å; I271-V286 HydrophobicContact CD1-CG1 3.64Å; L284-V286 HydrophobicContact CD1-CG1 3.85Å; L284-V286 HydrophobicContact CD2-CG1 4.36Å; L284-V286 HydrophobicContact CG-CG1 3.99Å; V286-C289 VanDerWaalsContact O-CB 3.3Å; V286-C289 WeakPolarHBondContact O-CB 3.48Å; V286-C289 PolarHBondContact O-N 2.87Å; V286-C289 PolarHBondContact O-SG 3.06Å; V286-V292 HydrophobicContact CG2-CG1 4.23Å; V286-S311 PolarHBondContact N-O 3.07Å; V286-L312 HydrophobicContact CG2-CD2 3.4Å; V286-L312 HydrophobicContact CG2-CG 4.01Å; V286-C315 PolarHBondContact O-SG 2.9Å
287S98.6Very high96.9Very high0 Ų034.9 Ų34.90%018%0.183CC..THydrogen-bonded Turntrans-56.4146.6-179.2-50.40000111.3R261 S262 D285 C289 S311 C313R261-S287 CarbonylContact C-O 3.48Å; R261-S287 WeakPolarHBondContact CA-O 3.43Å; R261-S287 WeakPolarHBondContact CG-O 3.31Å; S262-S287 PolarHBondContact N-O 3.44Å; D285-S287 WeakPolarHBondContact OD1-CB 3.35Å; D285-S287 PolarHBondContact OD1-N 2.79Å; D285-S287 PolarHBondContact OD1-OG 3.07Å; S287-C289 PolarHBondContact O-N 3Å; S287-S311 PolarHBondContact N-O 3.14Å; S287-S311 PolarHBondContact OG-OG 2.83Å; S287-C313 CarbonylContact C-O 3.43Å; S287-C313 WeakPolarHBondContact CA-O 3.19Å; S287-C313 WeakPolarHBondContact CB-O 3.41Å; S287-C313 PolarHBondContact OG-N 2.85Å
288F98.2Very high97.2Very high57 Ų5734.6 Ų34.625%0.2518%0.177CC..THydrogen-bonded Turntrans6022.2-179.5-57.3-99.3000113.5R261 S262 C313R261-F288 HydrophobicContact CG-CD2 4.33Å; R261-F288 VanDerWaalsContact NH1-CD2 3.28Å; S262-F288 WeakPolarHBondContact OG-CB 3.49Å; F288-C313 HydrophobicContact CE2-CB 4.11Å; F288-C313 PolarHBondContact N-O 2.76Å
289C98.1Very high97.7Very high0 Ų033.9 Ų33.90%017%0.165CC..  trans-92.897.1163.3-56.60000107.3L260 V286 S287 K291 V292L260-C289 PolarHBondContact O-SG 3.2Å; L260-C289 VanDerWaalsContact O-SG 3.32Å; V286-C289 VanDerWaalsContact O-CB 3.3Å; V286-C289 WeakPolarHBondContact O-CB 3.48Å; V286-C289 PolarHBondContact O-N 2.87Å; V286-C289 PolarHBondContact O-SG 3.06Å; S287-C289 PolarHBondContact O-N 3Å; C289-K291 PolarHBondContact O-N 3.09Å; C289-V292 HydrophobicContact CB-CB 4.19Å; C289-V292 HydrophobicContact CB-CG2 3.61Å; C289-V292 WeakPolarHBondContact O-CB 3.42Å; C289-V292 PolarHBondContact O-N 3.29Å
290D95.5Very high98Very high88 Ų8833.4 Ų33.447%0.47116%0.163SC..THydrogen-bonded Turntrans-63.4-24.5-172.763.4-18.6000113.9V292 H316D290-V292 VanDerWaalsContact C-N 3.3Å; D290-V292 PolarHBondContact O-N 3.22Å; D290-H316 PolarHBondContact O-CD2 3.08Å
291K98.4Very high98.1Very high104 Ų10425 Ų2545%0.45213%0.132SC..BIsolated β-bridgetrans-84.42.4175.6-61.6162.6-170.9160.60114.2D264 S267 D268 C289D264-K291 WeakPolarHBondContact O-CE 3.27Å; D264-K291 PolarHBondContact O-NZ 3.03Å; S267-K291 WeakPolarHBondContact CA-O 3.18Å; D268-K291 PolarHBondContact N-O 2.87Å; C289-K291 PolarHBondContact O-N 3.09Å
292V98.5Very high98Very high0 Ų031.1 Ų31.10%016%0.16CC..  trans-91.9123.31741700000109.7I266 I271 V286 C289 D290 L312 C315 H316I266-V292 HydrophobicContact CG2-CG2 4.31Å; I271-V292 HydrophobicContact CG1-CG2 4.19Å; V286-V292 HydrophobicContact CG2-CG1 4.23Å; C289-V292 HydrophobicContact CB-CB 4.19Å; C289-V292 HydrophobicContact CB-CG2 3.61Å; C289-V292 WeakPolarHBondContact O-CB 3.42Å; C289-V292 PolarHBondContact O-N 3.29Å; D290-V292 VanDerWaalsContact C-N 3.3Å; D290-V292 PolarHBondContact O-N 3.22Å; V292-L312 HydrophobicContact CG1-CD2 3.58Å; V292-C315 HydrophobicContact CB-CB 4.47Å; V292-C315 HydrophobicContact CG1-CB 4.33Å; V292-H316 PolarHBondContact O-N 3.22Å
293G98.3Very high97.9Very high8 Ų830 Ų308%0.08216%0.156CC..BIsolated β-bridgetrans-137.9-157.2-176.100000114.4D268 Q295 S296 H316D268-G293 PolarHBondContact OD1-N 3.38Å; G293-Q295 PolarHBondContact O-N 3.04Å; G293-S296 WeakPolarHBondContact O-CB 3.44Å; G293-S296 PolarHBondContact O-N 2.97Å; G293-S296 VanDerWaalsContact O-N 3.16Å; G293-H316 WeakPolarHBondContact CA-O 3.38Å
294D98.6Very high97.7Very high36 Ų3629.5 Ų29.519%0.19315%0.151CC..Hα-helixtrans-62.2-27-173.7-70.9-23.1000113.8L297 A298 I317 S318 G321D294-L297 PolarHBondContact O-N 2.91Å; D294-A298 PolarHBondContact O-N 2.56Å; D294-I317 VanDerWaalsContact OD1-CA 3.28Å; D294-I317 WeakPolarHBondContact OD1-CA 3.4Å; D294-S318 PolarHBondContact OD1-N 3.36Å; D294-S318 PolarHBondContact OD1-OG 3.04Å; D294-S318 WeakPolarHBondContact OD2-CB 3.5Å; D294-S318 PolarHBondContact OD2-OG 2.81Å; D294-G321 VanDerWaalsContact OD1-CA 3.25Å; D294-G321 WeakPolarHBondContact OD1-CA 3.26Å; D294-G321 PolarHBondContact OD1-N 3.11Å
295Q98.4Very high97.4Very high70 Ų7035.9 Ų35.933%0.32719%0.185SC..Hα-helixtrans-71.9-35.9178.6-16862.927.100111.4D268 G293 L297 A298 Y299D268-Q295 HydrophobicContact CB-CB 4.22Å; D268-Q295 WeakPolarHBondContact OD2-CB 3.44Å; G293-Q295 PolarHBondContact O-N 3.04Å; Q295-L297 VanDerWaalsContact C-N 3.27Å; Q295-L297 PolarHBondContact O-N 2.8Å; Q295-A298 WeakPolarHBondContact O-CB 3.11Å; Q295-A298 PolarHBondContact O-N 3.16Å; Q295-A298 VanDerWaalsContact O-N 3.14Å; Q295-Y299 HydrophobicContact CB-CE2 4.46Å; Q295-Y299 HydrophobicContact CG-CD2 4.17Å; Q295-Y299 HydrophobicContact CG-CE2 3.46Å; Q295-Y299 VanDerWaalsContact CG-CE2 3.46Å; Q295-Y299 PolarHBondContact NE2-OH 2.98Å; Q295-Y299 VanDerWaalsContact O-CD2 3.26Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.3Å; Q295-Y299 PolarHBondContact O-N 3.27Å; Q295-Y299 VanDerWaalsContact O-N 3.07Å
296S98.5Very high97.1Very high0 Ų036.3 Ų36.30%020%0.196CC..Hα-helixtrans-55.1-42.7170-78.50000112.5D268 I271 G293 A298 Y299 I300D268-S296 WeakPolarHBondContact CA-OG 3.5Å; D268-S296 WeakPolarHBondContact OD1-CB 3.4Å; D268-S296 PolarHBondContact OD1-N 2.96Å; D268-S296 VanDerWaalsContact OD1-N 3.14Å; D268-S296 PolarHBondContact OD1-OG 3.1Å; I271-S296 WeakPolarHBondContact CB-OG 3.36Å; I271-S296 VanDerWaalsContact CG1-OG 3.24Å; I271-S296 WeakPolarHBondContact CG1-OG 3.36Å; G293-S296 WeakPolarHBondContact O-CB 3.44Å; G293-S296 PolarHBondContact O-N 2.97Å; G293-S296 VanDerWaalsContact O-N 3.16Å; S296-A298 VanDerWaalsContact C-N 3.29Å; S296-A298 PolarHBondContact O-N 3Å; S296-Y299 PolarHBondContact O-N 2.82Å; S296-I300 WeakPolarHBondContact O-CB 3.21Å; S296-I300 VanDerWaalsContact O-CG1 3.22Å; S296-I300 WeakPolarHBondContact O-CG1 3.48Å; S296-I300 PolarHBondContact O-N 2.95Å
297L98.5Very high97.1Very high0 Ų036.4 Ų36.40%020%0.196CC..Hα-helixtrans-62.9-36.2178.9-78.6-177.4000112.5D294 Q295 A301 L310 L312 I317 G321 I322 M325D294-L297 PolarHBondContact O-N 2.91Å; Q295-L297 VanDerWaalsContact C-N 3.27Å; Q295-L297 PolarHBondContact O-N 2.8Å; L297-A301 WeakPolarHBondContact O-CB 3.33Å; L297-A301 PolarHBondContact O-N 3.14Å; L297-A301 VanDerWaalsContact O-N 3.09Å; L297-L310 HydrophobicContact CD2-CD2 4.09Å; L297-L312 HydrophobicContact CD2-CD1 3.35Å; L297-L312 HydrophobicContact CG-CD1 4.22Å; L297-I317 HydrophobicContact CD1-CB 3.96Å; L297-I317 HydrophobicContact CD1-CD1 4.14Å; L297-I317 HydrophobicContact CD1-CG2 3.77Å; L297-I317 HydrophobicContact CG-CG2 4.13Å; L297-G321 WeakPolarHBondContact CB-O 3.45Å; L297-I322 HydrophobicContact CD1-CD1 4.13Å; L297-M325 HydrophobicContact CB-CB 4.21Å; L297-M325 HydrophobicContact CD2-CB 4.24Å; L297-M325 HydrophobicContact CD2-CG 4.19Å; L297-M325 HydrophobicContact CD2-SD 3.52Å; L297-M325 VanDerWaalsContact CD2-SD 3.52Å
298A97.6Very high97Very high21 Ų2141.6 Ų41.617%0.17422%0.219CC..Hα-helixtrans-66-44.9173.500000112D294 Q295 S296 A301 Q302 R324D294-A298 PolarHBondContact O-N 2.56Å; Q295-A298 WeakPolarHBondContact O-CB 3.11Å; Q295-A298 PolarHBondContact O-N 3.16Å; Q295-A298 VanDerWaalsContact O-N 3.14Å; S296-A298 VanDerWaalsContact C-N 3.29Å; S296-A298 PolarHBondContact O-N 3Å; A298-A301 WeakPolarHBondContact O-CB 3.47Å; A298-A301 PolarHBondContact O-N 3.39Å; A298-Q302 PolarHBondContact O-N 3.06Å; A298-Q302 VanDerWaalsContact O-N 3.1Å; A298-R324 HydrophobicContact CB-CB 4.23Å
299Y98.2Very high97.1Very high50 Ų5041 Ų4120%0.19622%0.222CC..Hα-helixtrans-63.9-45.9177.2-64.6-47.1000112M272 A275 Q295 S296 A301 Q302 G303M272-Y299 HydrophobicContact CB-CD1 4.25Å; M272-Y299 HydrophobicContact CB-CD2 3.59Å; M272-Y299 HydrophobicContact CB-CE1 4.28Å; M272-Y299 HydrophobicContact CB-CE2 3.6Å; M272-Y299 HydrophobicContact CB-CG 3.94Å; M272-Y299 HydrophobicContact CG-CD1 3.98Å; M272-Y299 HydrophobicContact CG-CD2 4.19Å; M272-Y299 HydrophobicContact CG-CE1 3.8Å; M272-Y299 HydrophobicContact CG-CE2 4Å; M272-Y299 HydrophobicContact CG-CG 4.19Å; M272-Y299 HydrophobicContact SD-CE1 4.21Å; M272-Y299 HydrophobicContact SD-CE2 4.43Å; A275-Y299 WeakPolarHBondContact CB-O 3.32Å; Q295-Y299 HydrophobicContact CB-CE2 4.46Å; Q295-Y299 HydrophobicContact CG-CD2 4.17Å; Q295-Y299 HydrophobicContact CG-CE2 3.46Å; Q295-Y299 VanDerWaalsContact CG-CE2 3.46Å; Q295-Y299 PolarHBondContact NE2-OH 2.98Å; Q295-Y299 VanDerWaalsContact O-CD2 3.26Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.3Å; Q295-Y299 PolarHBondContact O-N 3.27Å; Q295-Y299 VanDerWaalsContact O-N 3.07Å; S296-Y299 PolarHBondContact O-N 2.82Å; Y299-A301 VanDerWaalsContact C-N 3.28Å; Y299-A301 PolarHBondContact O-N 3.41Å; Y299-Q302 PolarHBondContact O-N 3.12Å; Y299-Q302 VanDerWaalsContact O-N 3.14Å; Y299-G303 PolarHBondContact O-N 2.89Å
300I98Very high97.1Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-55.9-45.6176.7-70.3166.2000110.3I271 L284 S296 Q302 G303 L304 L307 L310 M329I271-I300 HydrophobicContact CG2-CD1 3.86Å; I271-I300 HydrophobicContact CG2-CG1 3.54Å; L284-I300 HydrophobicContact CD2-CD1 4.13Å; L284-I300 HydrophobicContact CD2-CG1 4.34Å; S296-I300 WeakPolarHBondContact O-CB 3.21Å; S296-I300 VanDerWaalsContact O-CG1 3.22Å; S296-I300 WeakPolarHBondContact O-CG1 3.48Å; S296-I300 PolarHBondContact O-N 2.95Å; I300-Q302 VanDerWaalsContact C-N 3.33Å; I300-Q302 PolarHBondContact O-N 3.1Å; I300-G303 PolarHBondContact O-N 3.41Å; I300-L304 HydrophobicContact CG1-CD1 4.21Å; I300-L304 HydrophobicContact CG2-CB 4.31Å; I300-L304 HydrophobicContact CG2-CD1 4.28Å; I300-L304 WeakPolarHBondContact O-CA 3.26Å; I300-L304 WeakPolarHBondContact O-CB 3.4Å; I300-L304 PolarHBondContact O-N 3.18Å; I300-L307 HydrophobicContact CG2-CD2 3.93Å; I300-L310 HydrophobicContact CD1-CD1 3.97Å; I300-L310 HydrophobicContact CD1-CD2 4.36Å; I300-L310 HydrophobicContact CG2-CD2 4.25Å; I300-M329 HydrophobicContact CG2-CE 3.73Å; I300-M329 HydrophobicContact CG2-SD 3.69Å
301A96.6Very high97.3Very high5 Ų537.6 Ų37.64%0.04121%0.205CC..Hα-helixtrans-59.1-45.4178.100000112.1L297 A298 Y299 Q328 M329L297-A301 WeakPolarHBondContact O-CB 3.33Å; L297-A301 PolarHBondContact O-N 3.14Å; L297-A301 VanDerWaalsContact O-N 3.09Å; A298-A301 WeakPolarHBondContact O-CB 3.47Å; A298-A301 PolarHBondContact O-N 3.39Å; Y299-A301 VanDerWaalsContact C-N 3.28Å; Y299-A301 PolarHBondContact O-N 3.41Å; A301-Q328 HydrophobicContact CB-CB 4.29Å; A301-Q328 PolarHBondContact O-OE1 3.02Å; A301-M329 HydrophobicContact CB-CG 4.35Å
302Q95.2Very high97.3Very high128 Ų12832.6 Ų32.660%0.59818%0.183SC*.Hα-helixtrans-69.7-34.3-175.4-172.1-179.75.200113.4M276 A298 Y299 I300M276-Q302 HydrophobicContact CE-CB 4.02Å; M276-Q302 HydrophobicContact CE-CG 3.93Å; A298-Q302 PolarHBondContact O-N 3.06Å; A298-Q302 VanDerWaalsContact O-N 3.1Å; Y299-Q302 PolarHBondContact O-N 3.12Å; Y299-Q302 VanDerWaalsContact O-N 3.14Å; I300-Q302 VanDerWaalsContact C-N 3.33Å; I300-Q302 PolarHBondContact O-N 3.1Å
303G94.8Very high97.2Very high20 Ų2033.1 Ų33.121%0.20619%0.186CC..Hα-helixtrans-117.7-21.4-167.600000116.6A275 Y299 I300A275-G303 VanDerWaalsContact O-CA 3.22Å; A275-G303 WeakPolarHBondContact O-CA 3.48Å; Y299-G303 PolarHBondContact O-N 2.89Å; I300-G303 PolarHBondContact O-N 3.41Å
304L95.9Very high97.1Very high2 Ų234.7 Ų34.71%0.0120%0.196CC..  trans-112.652.9-175-55.7-178.3000111.5A275 L279 L281 L284 I300 G306 L307A275-L304 HydrophobicContact CB-CG 4.3Å; L279-L304 HydrophobicContact CB-CD2 4.34Å; L281-L304 HydrophobicContact CB-CD2 4.49Å; L281-L304 HydrophobicContact CD1-CD1 4.24Å; L281-L304 HydrophobicContact CD1-CD2 4.45Å; L284-L304 HydrophobicContact CD2-CD1 3.97Å; I300-L304 HydrophobicContact CG1-CD1 4.21Å; I300-L304 HydrophobicContact CG2-CB 4.31Å; I300-L304 HydrophobicContact CG2-CD1 4.28Å; I300-L304 WeakPolarHBondContact O-CA 3.26Å; I300-L304 WeakPolarHBondContact O-CB 3.4Å; I300-L304 PolarHBondContact O-N 3.18Å; L304-G306 PolarHBondContact O-N 2.89Å; L304-L307 HydrophobicContact CB-CB 4.25Å; L304-L307 WeakPolarHBondContact O-CB 3.24Å; L304-L307 PolarHBondContact O-N 3.26Å
305D91Very high97.1Very high136 Ų13633.3 Ų33.373%0.72719%0.189SC*.THydrogen-bonded Turntrans-55.2-33.3-178.567.6-20.7000114.3L307D305-L307 VanDerWaalsContact C-N 3.28Å; D305-L307 PolarHBondContact O-N 3.3Å
306G93.6Very high97Very high37 Ų3734.5 Ų34.538%0.38120%0.195SC..THydrogen-bonded Turntrans-790178.300000115.5L281 L304 K308L281-G306 CarbonylContact O-C 3.57Å; L304-G306 PolarHBondContact O-N 2.89Å; G306-K308 PolarHBondContact O-N 3.23Å
307L97.7Very high97Very high2 Ų234.5 Ų34.51%0.0120%0.195CC..  trans-69.4124.5-173.3-160.172.9000111.6L281 L284 I300 L304 D305 L310 M329L281-L307 HydrophobicContact CB-CD1 3.78Å; L281-L307 WeakPolarHBondContact O-CA 3.18Å; L281-L307 PolarHBondContact O-N 3.01Å; L284-L307 HydrophobicContact CB-CD1 3.96Å; L284-L307 HydrophobicContact CB-CD2 4.24Å; I300-L307 HydrophobicContact CG2-CD2 3.93Å; L304-L307 HydrophobicContact CB-CB 4.25Å; L304-L307 WeakPolarHBondContact O-CB 3.24Å; L304-L307 PolarHBondContact O-N 3.26Å; D305-L307 VanDerWaalsContact C-N 3.28Å; D305-L307 PolarHBondContact O-N 3.3Å; L307-L310 HydrophobicContact CD2-CB 3.89Å; L307-L310 HydrophobicContact CD2-CD1 3.95Å; L307-L310 HydrophobicContact CD2-CD2 4.41Å; L307-L310 HydrophobicContact CD2-CG 4.3Å; L307-M329 HydrophobicContact CB-CE 3.64Å; L307-M329 HydrophobicContact CD2-CE 3.78Å; L307-M329 HydrophobicContact CG-CE 4.24Å
308K98.3Very high97Very high110 Ų11035.5 Ų35.548%0.47820%0.202SC..  trans-104.5-27179.9-63.9177.9-177.5174.90112.4S282 G306 R333 T334S282-K308 CarbonylContact O-C 3.58Å; S282-K308 WeakPolarHBondContact O-CA 3.42Å; S282-K308 WeakPolarHBondContact O-CB 3.46Å; S282-K308 PolarHBondContact O-N 3.44Å; G306-K308 PolarHBondContact O-N 3.23Å; K308-R333 HydrophobicContact CB-CG 4.34Å; K308-R333 WeakPolarHBondContact O-CA 3.34Å; K308-R333 WeakPolarHBondContact O-CB 3.21Å; K308-R333 PolarHBondContact O-N 3.5Å; K308-T334 PolarHBondContact O-N 3.39Å
309S98.7Very high97Very high45 Ų4535.3 Ų35.332%0.31520%0.198SC..EExtended strand (participates in β ladder)trans-131.9127.3179.6-175.60000110.8S282 G283 L284 T334S282-S309 PolarHBondContact O-N 3.14Å; G283-S309 VanDerWaalsContact CA-O 3.3Å; G283-S309 WeakPolarHBondContact CA-O 3.22Å; L284-S309 PolarHBondContact N-O 3.37Å; S309-T334 WeakPolarHBondContact CA-O 3.41Å; S309-T334 WeakPolarHBondContact CA-OG1 3.18Å; S309-T334 WeakPolarHBondContact CB-OG1 3.45Å; S309-T334 PolarHBondContact OG-OG1 2.5Å
310L98.7Very high97.1Very high1 Ų137.1 Ų37.11%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-130129.1175.8-178.857.4000110.2L284 L297 I300 L307 L312 M325 L332 T334 L335 N336L284-L310 HydrophobicContact CB-CD1 4.23Å; L284-L310 HydrophobicContact CD2-CD1 4.3Å; L284-L310 HydrophobicContact CG-CD1 4.38Å; L284-L310 WeakPolarHBondContact O-CA 3.38Å; L297-L310 HydrophobicContact CD2-CD2 4.09Å; I300-L310 HydrophobicContact CD1-CD1 3.97Å; I300-L310 HydrophobicContact CD1-CD2 4.36Å; I300-L310 HydrophobicContact CG2-CD2 4.25Å; L307-L310 HydrophobicContact CD2-CB 3.89Å; L307-L310 HydrophobicContact CD2-CD1 3.95Å; L307-L310 HydrophobicContact CD2-CD2 4.41Å; L307-L310 HydrophobicContact CD2-CG 4.3Å; L310-L312 HydrophobicContact CD1-CD1 4.03Å; L310-L312 HydrophobicContact CD1-CG 4.16Å; L310-L312 HydrophobicContact CD2-CD1 3.6Å; L310-L312 HydrophobicContact CG-CD1 3.68Å; L310-L312 HydrophobicContact CG-CG 4.19Å; L310-M325 HydrophobicContact CD2-SD 3.54Å; L310-M325 VanDerWaalsContact CD2-SD 3.54Å; L310-L332 HydrophobicContact CB-CD1 4.04Å; L310-T334 PolarHBondContact N-O 3.16Å; L310-L335 HydrophobicContact CB-CD1 4.23Å; L310-L335 HydrophobicContact CD2-CD1 4.32Å; L310-L335 HydrophobicContact CG-CD1 4.35Å; L310-L335 WeakPolarHBondContact O-CA 3.41Å; L310-N336 PolarHBondContact O-N 3.14Å
311S98.7Very high97.1Very high14 Ų1437.1 Ų37.110%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-124.3120.1174.4-167.10000110.5L284 D285 V286 S287 N336L284-S311 PolarHBondContact O-N 3.09Å; D285-S311 WeakPolarHBondContact OD1-CB 3.21Å; D285-S311 PolarHBondContact OD1-OG 3.35Å; V286-S311 PolarHBondContact N-O 3.07Å; S287-S311 PolarHBondContact N-O 3.14Å; S287-S311 PolarHBondContact OG-OG 2.83Å; S311-N336 WeakPolarHBondContact OG-CB 3.32Å; S311-N336 PolarHBondContact OG-ND2 3.46Å
312L98.4Very high97.2Very high0 Ų036.9 Ų36.90%021%0.209CC..  trans-129.727.6-178.3-74.4150.8000110V286 V292 L297 L310 S314 C315 I317 N336 C340V286-L312 HydrophobicContact CG2-CD2 3.4Å; V286-L312 HydrophobicContact CG2-CG 4.01Å; V292-L312 HydrophobicContact CG1-CD2 3.58Å; L297-L312 HydrophobicContact CD2-CD1 3.35Å; L297-L312 HydrophobicContact CG-CD1 4.22Å; L310-L312 HydrophobicContact CD1-CD1 4.03Å; L310-L312 HydrophobicContact CD1-CG 4.16Å; L310-L312 HydrophobicContact CD2-CD1 3.6Å; L310-L312 HydrophobicContact CG-CD1 3.68Å; L310-L312 HydrophobicContact CG-CG 4.19Å; L312-S314 PolarHBondContact O-N 2.99Å; L312-C315 VanDerWaalsContact C-SG 3.54Å; L312-C315 HydrophobicContact CB-CB 4.29Å; L312-C315 HydrophobicContact CD2-CB 4.31Å; L312-C315 VanDerWaalsContact O-CB 3.27Å; L312-C315 WeakPolarHBondContact O-CB 3.48Å; L312-C315 PolarHBondContact O-N 3.46Å; L312-C315 VanDerWaalsContact O-N 3.12Å; L312-C315 PolarHBondContact O-SG 3.25Å; L312-I317 HydrophobicContact CB-CD1 4.25Å; L312-I317 HydrophobicContact CD1-CD1 4.41Å; L312-N336 PolarHBondContact N-O 2.92Å; L312-C340 PolarHBondContact O-SG 2.74Å
313C97.1Very high97.3Very high10 Ų1033 Ų337%0.06819%0.192CC..THydrogen-bonded Turntrans-56.7133.4-177176.80000110.1S287 F288 C315 G338S287-C313 CarbonylContact C-O 3.43Å; S287-C313 WeakPolarHBondContact CA-O 3.19Å; S287-C313 WeakPolarHBondContact CB-O 3.41Å; S287-C313 PolarHBondContact OG-N 2.85Å; F288-C313 HydrophobicContact CE2-CB 4.11Å; F288-C313 PolarHBondContact N-O 2.76Å; C313-C315 VanDerWaalsContact C-N 3.26Å; C313-C315 PolarHBondContact O-N 2.56Å; C313-G338 CarbonylContact C-O 3.4Å; C313-G338 WeakPolarHBondContact CA-O 3.43Å; C313-G338 PolarHBondContact SG-O 2.95Å
314S96.9Very high97.4Very high42 Ų4237.8 Ų37.829%0.29420%0.204SC..THydrogen-bonded Turntrans59.631.7-179.2-142.30000114.1L312 G338 Q339L312-S314 PolarHBondContact O-N 2.99Å; S314-G338 PolarHBondContact N-O 3.26Å; S314-Q339 PolarHBondContact OG-OE1 3.47Å
315C98Very high97.4Very high6 Ų637.7 Ų37.74%0.04120%0.203CC..  trans-96.8163.9170.7-61.60000111.3V286 V292 L312 C313 I317V286-C315 PolarHBondContact O-SG 2.9Å; V292-C315 HydrophobicContact CB-CB 4.47Å; V292-C315 HydrophobicContact CG1-CB 4.33Å; L312-C315 VanDerWaalsContact C-SG 3.54Å; L312-C315 HydrophobicContact CB-CB 4.29Å; L312-C315 HydrophobicContact CD2-CB 4.31Å; L312-C315 VanDerWaalsContact O-CB 3.27Å; L312-C315 WeakPolarHBondContact O-CB 3.48Å; L312-C315 PolarHBondContact O-N 3.46Å; L312-C315 VanDerWaalsContact O-N 3.12Å; L312-C315 PolarHBondContact O-SG 3.25Å; C313-C315 VanDerWaalsContact C-N 3.26Å; C313-C315 PolarHBondContact O-N 2.56Å; C315-I317 HydrophobicContact CB-CG2 4.38Å; C315-I317 PolarHBondContact O-N 3.4Å
316H96.8Very high97.7Very high96 Ų9631.2 Ų31.244%0.44417%0.169SC..BIsolated β-bridgetrans-8649.7-179-85.2-40.2000113.6D290 V292 G293D290-H316 PolarHBondContact O-CD2 3.08Å; V292-H316 PolarHBondContact O-N 3.22Å; G293-H316 WeakPolarHBondContact CA-O 3.38Å
317I98.4Very high97.6Very high0 Ų036.5 Ų36.50%018%0.177CC..  trans-94.1154.2176.764.4168.2000112.4D294 L297 L312 C315 I322 I337 C340 R342 I343D294-I317 VanDerWaalsContact OD1-CA 3.28Å; D294-I317 WeakPolarHBondContact OD1-CA 3.4Å; L297-I317 HydrophobicContact CD1-CB 3.96Å; L297-I317 HydrophobicContact CD1-CD1 4.14Å; L297-I317 HydrophobicContact CD1-CG2 3.77Å; L297-I317 HydrophobicContact CG-CG2 4.13Å; L312-I317 HydrophobicContact CB-CD1 4.25Å; L312-I317 HydrophobicContact CD1-CD1 4.41Å; C315-I317 HydrophobicContact CB-CG2 4.38Å; C315-I317 PolarHBondContact O-N 3.4Å; I317-I322 HydrophobicContact CD1-CD1 4.29Å; I317-I337 HydrophobicContact CD1-CB 4.24Å; I317-I337 HydrophobicContact CD1-CG2 3.69Å; I317-C340 HydrophobicContact CD1-CB 4.21Å; I317-C340 HydrophobicContact CG1-CB 3.8Å; I317-C340 VanDerWaalsContact CG1-SG 3.59Å; I317-R342 WeakPolarHBondContact O-CB 3.47Å; I317-I343 HydrophobicContact CD1-CD1 4.36Å; I317-I343 HydrophobicContact CG1-CD1 4.26Å; I317-I343 HydrophobicContact CG1-CG1 4.44Å
318S98.5Very high97.4Very high21 Ų2141.9 Ų41.915%0.14720%0.202CC..BIsolated β-bridgetrans-131.8177.817983.10000111.7D294 D320 G321 I322 I343D294-S318 PolarHBondContact OD1-N 3.36Å; D294-S318 PolarHBondContact OD1-OG 3.04Å; D294-S318 WeakPolarHBondContact OD2-CB 3.5Å; D294-S318 PolarHBondContact OD2-OG 2.81Å; S318-D320 PolarHBondContact O-N 3.37Å; S318-D320 PolarHBondContact OG-N 3.26Å; S318-G321 PolarHBondContact O-N 3.04Å; S318-G321 VanDerWaalsContact O-N 3.14Å; S318-I322 PolarHBondContact O-N 2.89Å; S318-I322 VanDerWaalsContact O-N 3.12Å; S318-I343 WeakPolarHBondContact O-CD1 3.15Å
319D98.7Very high97.2Very high17 Ų1736.8 Ų36.89%0.09118%0.18CC..Hα-helixtrans-58.3-28.7176.5-61.1-27.5000112.3I322 N323 I343 T344 K346 G347D319-I322 PolarHBondContact O-N 2.97Å; D319-N323 WeakPolarHBondContact O-CB 3.49Å; D319-N323 PolarHBondContact O-N 2.99Å; D319-I343 WeakPolarHBondContact OD1-CA 3.43Å; D319-T344 PolarHBondContact OD1-N 3.1Å; D319-T344 WeakPolarHBondContact OD2-CB 3.42Å; D319-T344 PolarHBondContact OD2-OG1 3.04Å; D319-K346 HydrophobicContact CB-CD 4.38Å; D319-G347 VanDerWaalsContact CG-N 3.32Å; D319-G347 WeakPolarHBondContact OD1-CA 3.22Å; D319-G347 PolarHBondContact OD1-N 3.36Å; D319-G347 VanDerWaalsContact OD1-N 3.09Å
320D98.3Very high97Very high87 Ų8739 Ų3947%0.46519%0.185SC..Hα-helixtrans-70.1-40.2177.5-71.7-19.6000111.7S318 N323 R324S318-D320 PolarHBondContact O-N 3.37Å; S318-D320 PolarHBondContact OG-N 3.26Å; D320-N323 PolarHBondContact O-N 2.93Å; D320-R324 WeakPolarHBondContact O-CG 3.43Å; D320-R324 PolarHBondContact O-N 2.94Å; D320-R324 VanDerWaalsContact O-N 3.1Å
321G98.2Very high96.8Very high0 Ų040.9 Ų40.90%021%0.205CC..Hα-helixtrans-62.8-42.517200000112D294 L297 S318 N323 R324 M325D294-G321 VanDerWaalsContact OD1-CA 3.25Å; D294-G321 WeakPolarHBondContact OD1-CA 3.26Å; D294-G321 PolarHBondContact OD1-N 3.11Å; L297-G321 WeakPolarHBondContact CB-O 3.45Å; S318-G321 PolarHBondContact O-N 3.04Å; S318-G321 VanDerWaalsContact O-N 3.14Å; G321-N323 PolarHBondContact O-N 3.05Å; G321-R324 PolarHBondContact O-N 3.33Å; G321-M325 PolarHBondContact O-N 2.87Å; G321-M325 VanDerWaalsContact O-N 3.11Å
322I98.5Very high96.8Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-58.8-47.7173.8-64.9-59.6000110.8L297 I317 S318 D319 R324 M325 V326 I343 L350 I351L297-I322 HydrophobicContact CD1-CD1 4.13Å; I317-I322 HydrophobicContact CD1-CD1 4.29Å; S318-I322 PolarHBondContact O-N 2.89Å; S318-I322 VanDerWaalsContact O-N 3.12Å; D319-I322 PolarHBondContact O-N 2.97Å; I322-R324 VanDerWaalsContact C-N 3.26Å; I322-R324 PolarHBondContact O-N 3.13Å; I322-M325 HydrophobicContact CD1-CE 4.21Å; I322-M325 PolarHBondContact O-N 3.08Å; I322-V326 HydrophobicContact CG2-CG1 3.73Å; I322-V326 WeakPolarHBondContact O-CG1 3.24Å; I322-V326 WeakPolarHBondContact O-CG2 3.46Å; I322-V326 PolarHBondContact O-N 3.39Å; I322-I343 HydrophobicContact CD1-CD1 4.31Å; I322-I343 HydrophobicContact CG1-CD1 3.58Å; I322-L350 HydrophobicContact CG2-CB 4.3Å; I322-I351 HydrophobicContact CD1-CD1 4.43Å; I322-I351 HydrophobicContact CG2-CD1 4.03Å; I322-I351 HydrophobicContact CG2-CG1 3.68Å
323N98.2Very high96.8Very high46 Ų4645.2 Ų45.225%0.24622%0.219CC..Hα-helixtrans-56.8-38.9178-175.428.1000112.6D319 D320 G321 M325 R327 L350D319-N323 WeakPolarHBondContact O-CB 3.49Å; D319-N323 PolarHBondContact O-N 2.99Å; D320-N323 PolarHBondContact O-N 2.93Å; G321-N323 PolarHBondContact O-N 3.05Å; N323-M325 VanDerWaalsContact C-N 3.34Å; N323-R327 PolarHBondContact OD1-NE 3.26Å; N323-R327 VanDerWaalsContact OD1-NE 3.15Å; N323-R327 PolarHBondContact OD1-NH2 3.25Å; N323-L350 HydrophobicContact CB-CD1 3.71Å
324R96.5Very high96.8Very high122 Ų12247.2 Ų47.246%0.4623%0.231SC..Hα-helixtrans-67-35.7176.9-68175.8-172.4-158.41.8112.2A298 D320 G321 I322A298-R324 HydrophobicContact CB-CB 4.23Å; D320-R324 WeakPolarHBondContact O-CG 3.43Å; D320-R324 PolarHBondContact O-N 2.94Å; D320-R324 VanDerWaalsContact O-N 3.1Å; G321-R324 PolarHBondContact O-N 3.33Å; I322-R324 VanDerWaalsContact C-N 3.26Å; I322-R324 PolarHBondContact O-N 3.13Å
325M96.4Very high96.9Very high0 Ų045.4 Ų45.40%022%0.218CC..Hα-helixtrans-77.4-50.6-177.2-175.2-167.562.800113.7L297 L310 G321 I322 N323 R327 Q328 M329 L332 L335 L355L297-M325 HydrophobicContact CB-CB 4.21Å; L297-M325 HydrophobicContact CD2-CB 4.24Å; L297-M325 HydrophobicContact CD2-CG 4.19Å; L297-M325 HydrophobicContact CD2-SD 3.52Å; L297-M325 VanDerWaalsContact CD2-SD 3.52Å; L310-M325 HydrophobicContact CD2-SD 3.54Å; L310-M325 VanDerWaalsContact CD2-SD 3.54Å; G321-M325 PolarHBondContact O-N 2.87Å; G321-M325 VanDerWaalsContact O-N 3.11Å; I322-M325 HydrophobicContact CD1-CE 4.21Å; I322-M325 PolarHBondContact O-N 3.08Å; N323-M325 VanDerWaalsContact C-N 3.34Å; M325-R327 PolarHBondContact O-N 3.36Å; M325-R327 VanDerWaalsContact O-N 3.1Å; M325-Q328 PolarHBondContact O-N 3.34Å; M325-M329 HydrophobicContact CG-CB 4.42Å; M325-M329 HydrophobicContact CG-CG 3.97Å; M325-M329 HydrophobicContact CG-SD 3.19Å; M325-M329 WeakPolarHBondContact CG-SD 3.48Å; M325-M329 PolarHBondContact O-N 3.23Å; M325-M329 HydrophobicContact SD-SD 3.73Å; M325-L332 HydrophobicContact CE-CD2 4.44Å; M325-L335 HydrophobicContact CE-CD1 4.41Å; M325-L335 HydrophobicContact CE-CD2 4.18Å; M325-L355 HydrophobicContact CE-CD1 4.47Å
326V96.9Very high96.9Very high0 Ų046.9 Ų46.90%023%0.225CC..Hα-helixtrans-67.5-19.9-163.5-630000113.9I322 Q328 L350 I351 H354 L355I322-V326 HydrophobicContact CG2-CG1 3.73Å; I322-V326 WeakPolarHBondContact O-CG1 3.24Å; I322-V326 WeakPolarHBondContact O-CG2 3.46Å; I322-V326 PolarHBondContact O-N 3.39Å; V326-Q328 VanDerWaalsContact C-N 3.25Å; V326-Q328 PolarHBondContact O-N 3.45Å; V326-L350 HydrophobicContact CG2-CB 4.34Å; V326-I351 HydrophobicContact CG1-CG1 4.06Å; V326-H354 HydrophobicContact CB-CB 3.87Å; V326-H354 HydrophobicContact CG2-CB 3.99Å; V326-H354 WeakPolarHBondContact O-CB 3.44Å; V326-L355 HydrophobicContact CB-CD2 4.15Å; V326-L355 HydrophobicContact CB-CG 4.23Å; V326-L355 HydrophobicContact CG1-CD1 3.98Å; V326-L355 HydrophobicContact CG1-CD2 4.27Å; V326-L355 HydrophobicContact CG1-CG 3.96Å
327R92.2Very high97Very high148 Ų14842.3 Ų42.356%0.55820%0.204SC*.THydrogen-bonded Turntrans-69-18179.9-68.8176.7-178.5-103.8-6.2114.6N323 M325 H330N323-R327 PolarHBondContact OD1-NE 3.26Å; N323-R327 VanDerWaalsContact OD1-NE 3.15Å; N323-R327 PolarHBondContact OD1-NH2 3.25Å; M325-R327 PolarHBondContact O-N 3.36Å; M325-R327 VanDerWaalsContact O-N 3.1Å; R327-H330 PolarHBondContact O-NE2 3.4Å; R327-H330 VanDerWaalsContact O-NE2 3.13Å
328Q92.8Very high96.9Very high114 Ų11442.3 Ų42.353%0.53320%0.204SC..THydrogen-bonded Turntrans-119.3-31-177.3-62.7178.6-2.200111.5A301 M325 V326 H330A301-Q328 HydrophobicContact CB-CB 4.29Å; A301-Q328 PolarHBondContact O-OE1 3.02Å; M325-Q328 PolarHBondContact O-N 3.34Å; V326-Q328 VanDerWaalsContact C-N 3.25Å; V326-Q328 PolarHBondContact O-N 3.45Å; Q328-H330 VanDerWaalsContact C-N 3.31Å; Q328-H330 PolarHBondContact O-N 3.28Å
329M94.5Very high96.7Very high3 Ų344.3 Ų44.32%0.01521%0.211CC..  trans-88.145.4-170-61.5-167.178.700114.9I300 A301 L307 M325 G331 L332 L355I300-M329 HydrophobicContact CG2-CE 3.73Å; I300-M329 HydrophobicContact CG2-SD 3.69Å; A301-M329 HydrophobicContact CB-CG 4.35Å; L307-M329 HydrophobicContact CB-CE 3.64Å; L307-M329 HydrophobicContact CD2-CE 3.78Å; L307-M329 HydrophobicContact CG-CE 4.24Å; M325-M329 HydrophobicContact CG-CB 4.42Å; M325-M329 HydrophobicContact CG-CG 3.97Å; M325-M329 HydrophobicContact CG-SD 3.19Å; M325-M329 WeakPolarHBondContact CG-SD 3.48Å; M325-M329 PolarHBondContact O-N 3.23Å; M325-M329 HydrophobicContact SD-SD 3.73Å; M329-G331 PolarHBondContact O-N 2.8Å; M329-G331 VanDerWaalsContact O-N 3.08Å; M329-L332 HydrophobicContact CE-CD1 4.14Å; M329-L332 WeakPolarHBondContact O-CB 3.36Å; M329-L332 PolarHBondContact O-N 2.62Å; M329-L332 VanDerWaalsContact O-N 3.09Å; M329-L355 VanDerWaalsContact O-CD2 3.27Å; M329-L355 WeakPolarHBondContact O-CD2 3.22Å
330H94.1Very high96.6Very high92 Ų9243.5 Ų43.543%0.42621%0.207SC..THydrogen-bonded Turntrans-62.4-19.4-176.8-55.1-59.6000114.5R327 Q328 H354R327-H330 PolarHBondContact O-NE2 3.4Å; R327-H330 VanDerWaalsContact O-NE2 3.13Å; Q328-H330 VanDerWaalsContact C-N 3.31Å; Q328-H330 PolarHBondContact O-N 3.28Å; H330-H354 PolarHBondContact ND1-O 3.32Å; H330-H354 VanDerWaalsContact ND1-O 3.16Å
331G95.3Very high96.5Very high40 Ų4042.7 Ų42.741%0.41221%0.205SC..THydrogen-bonded Turntrans-82.8-4.6177.500000115.3M329 R333M329-G331 PolarHBondContact O-N 2.8Å; M329-G331 VanDerWaalsContact O-N 3.08Å; G331-R333 WeakPolarHBondContact O-CG 3.35Å; G331-R333 PolarHBondContact O-N 3.06Å
332L97.9Very high96.5Very high0 Ų048.6 Ų48.60%023%0.227CC..  trans-64.6130.4-176-165.171.2000111.1L310 M325 M329 L335 L355 L358L310-L332 HydrophobicContact CB-CD1 4.04Å; M325-L332 HydrophobicContact CE-CD2 4.44Å; M329-L332 HydrophobicContact CE-CD1 4.14Å; M329-L332 WeakPolarHBondContact O-CB 3.36Å; M329-L332 PolarHBondContact O-N 2.62Å; M329-L332 VanDerWaalsContact O-N 3.09Å; L332-L335 HydrophobicContact CD2-CB 4.05Å; L332-L335 HydrophobicContact CD2-CD1 4.14Å; L332-L335 HydrophobicContact CD2-CG 4.46Å; L332-L355 HydrophobicContact CD2-CD1 4.04Å; L332-L358 HydrophobicContact CG-CD1 4.45Å
333R98.1Very high96.4Very high105 Ų10548.6 Ų48.640%0.39623%0.227SC..  trans-109.1-33.7-174.9-58-164.9-179.4-75.2-0.9113.4K308 G331 T359 G360K308-R333 HydrophobicContact CB-CG 4.34Å; K308-R333 WeakPolarHBondContact O-CA 3.34Å; K308-R333 WeakPolarHBondContact O-CB 3.21Å; K308-R333 PolarHBondContact O-N 3.5Å; G331-R333 WeakPolarHBondContact O-CG 3.35Å; G331-R333 PolarHBondContact O-N 3.06Å; R333-T359 WeakPolarHBondContact O-CA 3.42Å; R333-T359 PolarHBondContact O-N 3.23Å; R333-T359 PolarHBondContact O-OG1 3.17Å; R333-G360 PolarHBondContact O-N 2.76Å; R333-G360 VanDerWaalsContact O-N 3.07Å
334T98.5Very high96.4Very high53 Ų5348.3 Ų48.333%0.32523%0.228SC..EExtended strand (participates in β ladder)trans-134.1128.5178.149.20000110.6K308 S309 L310 G360K308-T334 PolarHBondContact O-N 3.39Å; S309-T334 WeakPolarHBondContact CA-O 3.41Å; S309-T334 WeakPolarHBondContact CA-OG1 3.18Å; S309-T334 WeakPolarHBondContact CB-OG1 3.45Å; S309-T334 PolarHBondContact OG-OG1 2.5Å; L310-T334 PolarHBondContact N-O 3.16Å; T334-G360 VanDerWaalsContact CA-O 3.31Å; T334-G360 WeakPolarHBondContact CA-O 3.44Å
335L98.6Very high96.5Very high3 Ų343.1 Ų43.12%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-128.3118.8179.1178.860.4000109.5L310 M325 L332 I337 I351 L355 L358 G360 I361 D362L310-L335 HydrophobicContact CB-CD1 4.23Å; L310-L335 HydrophobicContact CD2-CD1 4.32Å; L310-L335 HydrophobicContact CG-CD1 4.35Å; L310-L335 WeakPolarHBondContact O-CA 3.41Å; M325-L335 HydrophobicContact CE-CD1 4.41Å; M325-L335 HydrophobicContact CE-CD2 4.18Å; L332-L335 HydrophobicContact CD2-CB 4.05Å; L332-L335 HydrophobicContact CD2-CD1 4.14Å; L332-L335 HydrophobicContact CD2-CG 4.46Å; L335-I337 HydrophobicContact CD1-CG2 3.72Å; L335-I337 HydrophobicContact CD2-CD1 4.42Å; L335-I337 HydrophobicContact CD2-CG2 4.3Å; L335-I337 HydrophobicContact CG-CG2 3.89Å; L335-I351 HydrophobicContact CD2-CD1 3.85Å; L335-I351 HydrophobicContact CD2-CG1 4.36Å; L335-L355 HydrophobicContact CD2-CD1 4.38Å; L335-L358 HydrophobicContact CB-CD1 3.89Å; L335-G360 PolarHBondContact N-O 3.04Å; L335-I361 HydrophobicContact CB-CG1 4.44Å; L335-I361 VanDerWaalsContact O-CA 3.26Å; L335-I361 WeakPolarHBondContact O-CA 3.47Å; L335-I361 WeakPolarHBondContact O-CG1 3.32Å; L335-D362 PolarHBondContact O-N 2.93Å
336N98.3Very high96.6Very high37 Ų3748.3 Ų48.320%0.19823%0.231CC..EExtended strand (participates in β ladder)trans-109.6112.2171.5-179.1-6.9000109.4L310 S311 L312 G338 D362L310-N336 PolarHBondContact O-N 3.14Å; S311-N336 WeakPolarHBondContact OG-CB 3.32Å; S311-N336 PolarHBondContact OG-ND2 3.46Å; L312-N336 PolarHBondContact N-O 2.92Å; N336-G338 PolarHBondContact OD1-N 3.21Å; N336-D362 HydrophobicContact CB-CB 4.01Å
337I97.8Very high96.7Very high0 Ų048.3 Ų48.30%023%0.231CC..  trans-126.225.8176.856174.9000110.3I317 L335 C340 I343 I351 D362 L363 C366I317-I337 HydrophobicContact CD1-CB 4.24Å; I317-I337 HydrophobicContact CD1-CG2 3.69Å; L335-I337 HydrophobicContact CD1-CG2 3.72Å; L335-I337 HydrophobicContact CD2-CD1 4.42Å; L335-I337 HydrophobicContact CD2-CG2 4.3Å; L335-I337 HydrophobicContact CG-CG2 3.89Å; I337-C340 HydrophobicContact CB-CB 4.48Å; I337-C340 WeakPolarHBondContact O-CB 3.42Å; I337-C340 PolarHBondContact O-N 3.14Å; I337-C340 PolarHBondContact O-SG 2.83Å; I337-I343 HydrophobicContact CD1-CG2 4.33Å; I337-I351 HydrophobicContact CD1-CD1 3.97Å; I337-D362 CarbonylContact C-O 3.57Å; I337-D362 PolarHBondContact N-O 3.29Å; I337-L363 HydrophobicContact CD1-CD2 3.73Å; I337-L363 HydrophobicContact CG1-CD2 3.64Å; I337-C366 PolarHBondContact O-SG 2.82Å
338G96.1Very high96.9Very high0 Ų041.3 Ų41.30%021%0.205CC..THydrogen-bonded Turntrans-57.2147.8176.700000111.3C313 S314 N336 C340 D362 Y364C313-G338 CarbonylContact C-O 3.4Å; C313-G338 WeakPolarHBondContact CA-O 3.43Å; C313-G338 PolarHBondContact SG-O 2.95Å; S314-G338 PolarHBondContact N-O 3.26Å; N336-G338 PolarHBondContact OD1-N 3.21Å; G338-C340 PolarHBondContact O-N 3.33Å; G338-D362 PolarHBondContact N-O 3.05Å; G338-Y364 CarbonylContact C-O 3.25Å; G338-Y364 VanDerWaalsContact C-O 3.25Å; G338-Y364 WeakPolarHBondContact CA-O 3.36Å
339Q95.7Very high97.2Very high63 Ų6339 Ų3929%0.29419%0.194SC..THydrogen-bonded Turntrans59.811.5-177.9-56.2-175.7-7.300114.4S314 V341 Y364S314-Q339 PolarHBondContact OG-OE1 3.47Å; Q339-V341 VanDerWaalsContact C-N 3.29Å; Q339-V341 PolarHBondContact O-N 3.15Å; Q339-Y364 HydrophobicContact CG-CD1 4.3Å; Q339-Y364 HydrophobicContact CG-CE1 4.28Å; Q339-Y364 PolarHBondContact N-O 3.12Å
340C96.7Very high97.4Very high0 Ų040 Ų400%020%0.199CC..  trans-79.180.7169.8-62.70000109.6L312 I317 I337 G338 R342 I343L312-C340 PolarHBondContact O-SG 2.74Å; I317-C340 HydrophobicContact CD1-CB 4.21Å; I317-C340 HydrophobicContact CG1-CB 3.8Å; I317-C340 VanDerWaalsContact CG1-SG 3.59Å; I337-C340 HydrophobicContact CB-CB 4.48Å; I337-C340 WeakPolarHBondContact O-CB 3.42Å; I337-C340 PolarHBondContact O-N 3.14Å; I337-C340 PolarHBondContact O-SG 2.83Å; G338-C340 PolarHBondContact O-N 3.33Å; C340-R342 PolarHBondContact O-N 3.32Å; C340-I343 HydrophobicContact CB-CG1 3.71Å; C340-I343 WeakPolarHBondContact O-CB 3.27Å; C340-I343 PolarHBondContact O-N 3.14Å
341V94.9Very high97.6Very high70 Ų7035.6 Ų35.642%0.42418%0.179SC..THydrogen-bonded Turntrans-63-10.7-169.7-61.90000115.7Q339 R368Q339-V341 VanDerWaalsContact C-N 3.29Å; Q339-V341 PolarHBondContact O-N 3.15Å; V341-R368 WeakPolarHBondContact O-CD 3.49Å; V341-R368 WeakPolarHBondContact O-CG 3.39Å; V341-R368 PolarHBondContact O-NE 3.06Å
342R97.6Very high97.6Very high124 Ų12434.6 Ų34.647%0.46817%0.167SC..BIsolated β-bridgetrans-94.1-5176.4-58.6179.9-176.2166.22.3113.2I317 C340I317-R342 WeakPolarHBondContact O-CB 3.47Å; C340-R342 PolarHBondContact O-N 3.32Å
343I98Very high97.6Very high0 Ų040.8 Ų40.80%020%0.196CC..  trans-77.9132.1173.4-58.9-60.6000109.7I317 S318 D319 I322 I337 C340 I369I317-I343 HydrophobicContact CD1-CD1 4.36Å; I317-I343 HydrophobicContact CG1-CD1 4.26Å; I317-I343 HydrophobicContact CG1-CG1 4.44Å; S318-I343 WeakPolarHBondContact O-CD1 3.15Å; D319-I343 WeakPolarHBondContact OD1-CA 3.43Å; I322-I343 HydrophobicContact CD1-CD1 4.31Å; I322-I343 HydrophobicContact CG1-CD1 3.58Å; I337-I343 HydrophobicContact CD1-CG2 4.33Å; C340-I343 HydrophobicContact CB-CG1 3.71Å; C340-I343 WeakPolarHBondContact O-CB 3.27Å; C340-I343 PolarHBondContact O-N 3.14Å; I343-I369 HydrophobicContact CG2-CD1 4.25Å
344T98.1Very high97.5Very high41 Ų4137.7 Ų37.725%0.25219%0.186SC..BIsolated β-bridgetrans-120.7-175.5177.980.10000111.2D319 K346 G347 L348 R368D319-T344 PolarHBondContact OD1-N 3.1Å; D319-T344 WeakPolarHBondContact OD2-CB 3.42Å; D319-T344 PolarHBondContact OD2-OG1 3.04Å; T344-K346 PolarHBondContact O-N 3.3Å; T344-K346 PolarHBondContact OG1-N 3.08Å; T344-G347 PolarHBondContact O-N 3.28Å; T344-G347 VanDerWaalsContact O-N 3.11Å; T344-L348 PolarHBondContact O-N 3.2Å; T344-R368 HydrophobicContact CG2-CB 4.05Å
345D98.2Very high97.4Very high13 Ų1335.2 Ų35.27%0.0717%0.17CC..Hα-helixtrans-55.1-30.4172.7-66-22.1000112.9G347 L348 E349 T370 G373D345-G347 PolarHBondContact O-N 3.25Å; D345-L348 WeakPolarHBondContact O-CB 3.36Å; D345-L348 PolarHBondContact O-N 3.27Å; D345-E349 WeakPolarHBondContact O-CG 3.25Å; D345-E349 PolarHBondContact O-N 3.48Å; D345-T370 PolarHBondContact OD1-N 3.5Å; D345-T370 WeakPolarHBondContact OD2-CB 3.06Å; D345-T370 PolarHBondContact OD2-OG1 2.96Å; D345-G373 VanDerWaalsContact CG-N 3.34Å; D345-G373 VanDerWaalsContact OD1-CA 3.27Å; D345-G373 WeakPolarHBondContact OD1-CA 3.32Å; D345-G373 PolarHBondContact OD1-N 3Å; D345-G373 VanDerWaalsContact OD1-N 3.17Å
346K98.3Very high97.2Very high109 Ų10937.6 Ų37.647%0.47419%0.187SC..Hα-helixtrans-62.2-43.4176.3-178.2-172.9177.3-167.30111.7D319 T344 L348 E349 L350D319-K346 HydrophobicContact CB-CD 4.38Å; T344-K346 PolarHBondContact O-N 3.3Å; T344-K346 PolarHBondContact OG1-N 3.08Å; K346-L348 VanDerWaalsContact C-N 3.3Å; K346-L348 PolarHBondContact O-N 3.25Å; K346-E349 PolarHBondContact O-N 2.94Å; K346-L350 WeakPolarHBondContact O-CG 3.41Å; K346-L350 PolarHBondContact O-N 3.33Å; K346-L350 VanDerWaalsContact O-N 3.1Å
347G98.2Very high97.1Very high0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-62.8-38.8175.300000112.2D319 T344 D345 L350 I351D319-G347 VanDerWaalsContact CG-N 3.32Å; D319-G347 WeakPolarHBondContact OD1-CA 3.22Å; D319-G347 PolarHBondContact OD1-N 3.36Å; D319-G347 VanDerWaalsContact OD1-N 3.09Å; T344-G347 PolarHBondContact O-N 3.28Å; T344-G347 VanDerWaalsContact O-N 3.11Å; D345-G347 PolarHBondContact O-N 3.25Å; G347-L350 PolarHBondContact O-N 3.1Å; G347-I351 WeakPolarHBondContact O-CG1 3.28Å; G347-I351 PolarHBondContact O-N 3.32Å
348L98.2Very high97.1Very high0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-67.7-38.8175.4-68.7-162.5000113.3T344 D345 K346 L350 I351 A352 L363 I369 G373 L374 I377T344-L348 PolarHBondContact O-N 3.2Å; D345-L348 WeakPolarHBondContact O-CB 3.36Å; D345-L348 PolarHBondContact O-N 3.27Å; K346-L348 VanDerWaalsContact C-N 3.3Å; K346-L348 PolarHBondContact O-N 3.25Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L348-I351 HydrophobicContact CD2-CD1 4.24Å; L348-I351 PolarHBondContact O-N 3.08Å; L348-A352 WeakPolarHBondContact O-CB 3.49Å; L348-A352 PolarHBondContact O-N 3.15Å; L348-L363 HydrophobicContact CD1-CD1 3.98Å; L348-L363 HydrophobicContact CD2-CD1 3.99Å; L348-L363 HydrophobicContact CD2-CD2 3.82Å; L348-I369 HydrophobicContact CD1-CB 4.42Å; L348-I369 HydrophobicContact CD1-CD1 3.86Å; L348-I369 HydrophobicContact CD1-CG1 4.09Å; L348-I369 HydrophobicContact CD1-CG2 3.5Å; L348-I369 HydrophobicContact CD2-CD1 4.05Å; L348-I369 HydrophobicContact CG-CD1 4.01Å; L348-I369 HydrophobicContact CG-CG1 4.29Å; L348-G373 VanDerWaalsContact CD1-C 3.44Å; L348-G373 WeakPolarHBondContact CD1-O 3.38Å; L348-L374 HydrophobicContact CD1-CD2 4.41Å; L348-I377 HydrophobicContact CB-CD1 4.1Å; L348-I377 HydrophobicContact CB-CG1 3.77Å; L348-I377 HydrophobicContact CD1-CG1 3.77Å; L348-I377 HydrophobicContact CD2-CD1 4.04Å; L348-I377 HydrophobicContact CD2-CG1 3.87Å; L348-I377 HydrophobicContact CG-CG1 4Å; L348-I377 WeakPolarHBondContact O-CD1 3.33Å
349E98Very high97.2Very high66 Ų6641.4 Ų41.431%0.30821%0.207SC..Hα-helixtrans-59.4-46.1173.8-75164.9-159.300110.9D345 K346 I351 A352 E353 R372 R376D345-E349 WeakPolarHBondContact O-CG 3.25Å; D345-E349 PolarHBondContact O-N 3.48Å; K346-E349 PolarHBondContact O-N 2.94Å; E349-I351 PolarHBondContact O-N 2.85Å; E349-A352 PolarHBondContact O-N 3.06Å; E349-E353 WeakPolarHBondContact O-CB 3.35Å; E349-E353 PolarHBondContact O-N 3.47Å; E349-R372 IonicContact OE1-CZ 3.89Å; E349-R372 IonicContact OE1-NE 2.88Å; E349-R372 PolarHBondContact OE1-NE 2.72Å; E349-R372 VanDerWaalsContact OE1-NE 3.15Å; E349-R372 IonicContact OE1-NH2 3.72Å; E349-R372 PolarHBondContact OE1-NH2 3.02Å; E349-R376 HydrophobicContact CG-CG 4.12Å
350L98Very high97.2Very high23 Ų2338.8 Ų38.812%0.1220%0.196CC..Hα-helixtrans-61.4-42.2176.3-70.7166.3000112.7I322 N323 V326 K346 G347 L348 E353 H354I322-L350 HydrophobicContact CG2-CB 4.3Å; N323-L350 HydrophobicContact CB-CD1 3.71Å; V326-L350 HydrophobicContact CG2-CB 4.34Å; K346-L350 WeakPolarHBondContact O-CG 3.41Å; K346-L350 PolarHBondContact O-N 3.33Å; K346-L350 VanDerWaalsContact O-N 3.1Å; G347-L350 PolarHBondContact O-N 3.1Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L350-E353 PolarHBondContact O-N 2.92Å; L350-H354 PolarHBondContact O-N 3.43Å; L350-H354 PolarHBondContact O-ND1 2.9Å
351I98.2Very high97.3Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-61.3-48.7174.8-73.9164000110.5I322 V326 L335 I337 G347 L348 E349 E353 H354 L355 L358 I361 I377 L380I322-I351 HydrophobicContact CD1-CD1 4.43Å; I322-I351 HydrophobicContact CG2-CD1 4.03Å; I322-I351 HydrophobicContact CG2-CG1 3.68Å; V326-I351 HydrophobicContact CG1-CG1 4.06Å; L335-I351 HydrophobicContact CD2-CD1 3.85Å; L335-I351 HydrophobicContact CD2-CG1 4.36Å; I337-I351 HydrophobicContact CD1-CD1 3.97Å; G347-I351 WeakPolarHBondContact O-CG1 3.28Å; G347-I351 PolarHBondContact O-N 3.32Å; L348-I351 HydrophobicContact CD2-CD1 4.24Å; L348-I351 PolarHBondContact O-N 3.08Å; E349-I351 PolarHBondContact O-N 2.85Å; I351-E353 VanDerWaalsContact C-N 3.26Å; I351-E353 PolarHBondContact O-N 3.1Å; I351-H354 PolarHBondContact O-N 3.21Å; I351-L355 HydrophobicContact CG1-CD1 4.41Å; I351-L355 HydrophobicContact CG2-CB 4.33Å; I351-L355 HydrophobicContact CG2-CD1 4.14Å; I351-L355 HydrophobicContact CG2-CG 4.46Å; I351-L355 WeakPolarHBondContact O-CB 3.36Å; I351-L355 PolarHBondContact O-N 2.94Å; I351-L358 HydrophobicContact CG2-CD2 3.97Å; I351-I361 HydrophobicContact CD1-CD1 4.28Å; I351-I361 HydrophobicContact CG2-CD1 4.31Å; I351-I377 HydrophobicContact CB-CD1 4.04Å; I351-I377 HydrophobicContact CG2-CD1 3.62Å; I351-L380 HydrophobicContact CG2-CD1 4.44Å
352A97Very high97.4Very high19 Ų1937.3 Ų37.316%0.15719%0.186CC..Hα-helixtrans-63.5-33.5-178.300000112.7L348 E349 R376 I377 L380L348-A352 WeakPolarHBondContact O-CB 3.49Å; L348-A352 PolarHBondContact O-N 3.15Å; E349-A352 PolarHBondContact O-N 3.06Å; A352-R376 HydrophobicContact CB-CG 3.66Å; A352-I377 HydrophobicContact CB-CD1 4.37Å; A352-L380 HydrophobicContact CB-CG 4.49Å
353E96.3Very high97.3Very high131 Ų13131.5 Ų31.561%0.61216%0.164SC*.Hα-helixtrans-70.7-39.1178.2-175.5177.6-165.900112.8E349 L350 I351E349-E353 WeakPolarHBondContact O-CB 3.35Å; E349-E353 PolarHBondContact O-N 3.47Å; L350-E353 PolarHBondContact O-N 2.92Å; I351-E353 VanDerWaalsContact C-N 3.26Å; I351-E353 PolarHBondContact O-N 3.1Å
354H96.4Very high97.1Very high40 Ų4035.8 Ų35.819%0.18518%0.181CC..Hα-helixtrans-111.2-25.7-167.6-6285.8000115.2V326 H330 L350 I351 S356V326-H354 HydrophobicContact CB-CB 3.87Å; V326-H354 HydrophobicContact CG2-CB 3.99Å; V326-H354 WeakPolarHBondContact O-CB 3.44Å; H330-H354 PolarHBondContact ND1-O 3.32Å; H330-H354 VanDerWaalsContact ND1-O 3.16Å; L350-H354 PolarHBondContact O-N 3.43Å; L350-H354 PolarHBondContact O-ND1 2.9Å; I351-H354 PolarHBondContact O-N 3.21Å; H354-S356 PolarHBondContact O-N 3.34Å
355L96.7Very high96.8Very high0 Ų035 Ų350%018%0.181CC..  trans-101.455.2-174.4-57.2-168.1000112.6M325 V326 M329 L332 L335 I351 Q357 L358 L380M325-L355 HydrophobicContact CE-CD1 4.47Å; V326-L355 HydrophobicContact CB-CD2 4.15Å; V326-L355 HydrophobicContact CB-CG 4.23Å; V326-L355 HydrophobicContact CG1-CD1 3.98Å; V326-L355 HydrophobicContact CG1-CD2 4.27Å; V326-L355 HydrophobicContact CG1-CG 3.96Å; M329-L355 VanDerWaalsContact O-CD2 3.27Å; M329-L355 WeakPolarHBondContact O-CD2 3.22Å; L332-L355 HydrophobicContact CD2-CD1 4.04Å; L335-L355 HydrophobicContact CD2-CD1 4.38Å; I351-L355 HydrophobicContact CG1-CD1 4.41Å; I351-L355 HydrophobicContact CG2-CB 4.33Å; I351-L355 HydrophobicContact CG2-CD1 4.14Å; I351-L355 HydrophobicContact CG2-CG 4.46Å; I351-L355 WeakPolarHBondContact O-CB 3.36Å; I351-L355 PolarHBondContact O-N 2.94Å; L355-Q357 PolarHBondContact O-N 3.46Å; L355-Q357 VanDerWaalsContact O-N 3.08Å; L355-L358 HydrophobicContact CB-CB 4.23Å; L355-L358 VanDerWaalsContact O-CB 3.22Å; L355-L358 WeakPolarHBondContact O-CB 3.4Å; L355-L358 PolarHBondContact O-N 3.44Å; L355-L380 WeakPolarHBondContact O-CD2 3.45Å
356S94.7Very high96.5Very high53 Ų5334.4 Ų34.437%0.37118%0.178SC..THydrogen-bonded Turntrans-59.8-22.2-176.563.20000115.1H354H354-S356 PolarHBondContact O-N 3.34Å
357Q96.3Very high96.3Very high79 Ų7934.4 Ų34.437%0.36919%0.187SC..THydrogen-bonded Turntrans-88.70.3178.9-62.5-58.7-57.600113.9L355 T359L355-Q357 PolarHBondContact O-N 3.46Å; L355-Q357 VanDerWaalsContact O-N 3.08Å; Q357-T359 PolarHBondContact O-N 3.21Å
358L97.9Very high96.1Very high0 Ų041.8 Ų41.80%022%0.215CC..  trans-65.5124.1-178.4-163.273.1000110.2L332 L335 I351 L355 I361 L380 C382 L383L332-L358 HydrophobicContact CG-CD1 4.45Å; L335-L358 HydrophobicContact CB-CD1 3.89Å; I351-L358 HydrophobicContact CG2-CD2 3.97Å; L355-L358 HydrophobicContact CB-CB 4.23Å; L355-L358 VanDerWaalsContact O-CB 3.22Å; L355-L358 WeakPolarHBondContact O-CB 3.4Å; L355-L358 PolarHBondContact O-N 3.44Å; L358-I361 HydrophobicContact CD2-CB 3.94Å; L358-I361 HydrophobicContact CD2-CD1 4.04Å; L358-I361 HydrophobicContact CD2-CG1 4.29Å; L358-L380 HydrophobicContact CB-CD1 4.29Å; L358-L380 HydrophobicContact CD2-CD1 4.08Å; L358-C382 CarbonylContact O-C 3.52Å; L358-C382 VanDerWaalsContact O-C 3.26Å; L358-L383 WeakPolarHBondContact O-CA 3.42Å; L358-L383 PolarHBondContact O-N 2.91Å
359T97.8Very high96Very high38 Ų3842.1 Ų42.123%0.23322%0.217CC..  trans-105.7-24.4-178.362.40000113.1R333 Q357 C382 K384 V385R333-T359 WeakPolarHBondContact O-CA 3.42Å; R333-T359 PolarHBondContact O-N 3.23Å; R333-T359 PolarHBondContact O-OG1 3.17Å; Q357-T359 PolarHBondContact O-N 3.21Å; T359-C382 WeakPolarHBondContact CA-O 3.36Å; T359-C382 HydrophobicContact CG2-CB 4.42Å; T359-K384 WeakPolarHBondContact O-CA 3.46Å; T359-K384 PolarHBondContact O-N 3.27Å; T359-V385 PolarHBondContact O-N 2.97Å
360G96.8Very high95.8Very high8 Ų842.2 Ų42.28%0.08222%0.222CC..EExtended strand (participates in β ladder)trans-142.6134.5178.900000111.5R333 T334 L335 V385R333-G360 PolarHBondContact O-N 2.76Å; R333-G360 VanDerWaalsContact O-N 3.07Å; T334-G360 VanDerWaalsContact CA-O 3.31Å; T334-G360 WeakPolarHBondContact CA-O 3.44Å; L335-G360 PolarHBondContact N-O 3.04Å; G360-V385 CarbonylContact C-O 3.56Å; G360-V385 VanDerWaalsContact CA-O 3.24Å; G360-V385 WeakPolarHBondContact CA-O 3.41Å
361I97.6Very high95.5Very high4 Ų446.4 Ų46.42%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-135136.4171.2-164.4173.6000111L335 I351 L358 L363 I377 L383 V385 L386 N387L335-I361 HydrophobicContact CB-CG1 4.44Å; L335-I361 VanDerWaalsContact O-CA 3.26Å; L335-I361 WeakPolarHBondContact O-CA 3.47Å; L335-I361 WeakPolarHBondContact O-CG1 3.32Å; I351-I361 HydrophobicContact CD1-CD1 4.28Å; I351-I361 HydrophobicContact CG2-CD1 4.31Å; L358-I361 HydrophobicContact CD2-CB 3.94Å; L358-I361 HydrophobicContact CD2-CD1 4.04Å; L358-I361 HydrophobicContact CD2-CG1 4.29Å; I361-L363 HydrophobicContact CD1-CD2 3.74Å; I361-L363 HydrophobicContact CD1-CG 4.25Å; I361-L363 HydrophobicContact CG1-CD2 3.88Å; I361-L363 HydrophobicContact CG1-CG 4.15Å; I361-I377 HydrophobicContact CD1-CD1 4.26Å; I361-I377 HydrophobicContact CG2-CG2 3.83Å; I361-L383 HydrophobicContact CB-CD1 4.49Å; I361-L383 HydrophobicContact CG2-CD1 4.01Å; I361-V385 PolarHBondContact N-O 3.14Å; I361-L386 HydrophobicContact CG2-CD1 3.44Å; I361-L386 VanDerWaalsContact CG2-CD1 3.44Å; I361-L386 WeakPolarHBondContact O-CA 3.28Å; I361-N387 PolarHBondContact O-N 3.42Å
362D96.6Very high95.3Very high36 Ų3653.4 Ų53.419%0.19327%0.266CS..EExtended strand (participates in β ladder)trans-112.5119.8173.6-167.3-21.1000109.9L335 N336 I337 G338 Y364 N387L335-D362 PolarHBondContact O-N 2.93Å; N336-D362 HydrophobicContact CB-CB 4.01Å; I337-D362 CarbonylContact C-O 3.57Å; I337-D362 PolarHBondContact N-O 3.29Å; G338-D362 PolarHBondContact N-O 3.05Å; D362-Y364 VanDerWaalsContact OD1-CB 3.28Å; D362-Y364 WeakPolarHBondContact OD1-CB 3.44Å; D362-Y364 PolarHBondContact OD1-N 2.99Å; D362-N387 HydrophobicContact CB-CB 4.16Å; D362-N387 PolarHBondContact OD1-ND2 3.5Å; D362-N387 PolarHBondContact OD2-ND2 3.03Å
363L96.1Very high95.2Very high1 Ų152.5 Ų52.51%0.00526%0.258CS..  trans-121.814.5-178-55.9178000111.5I337 L348 I361 G365 C366 I369 L374 L386 N387 L388I337-L363 HydrophobicContact CD1-CD2 3.73Å; I337-L363 HydrophobicContact CG1-CD2 3.64Å; L348-L363 HydrophobicContact CD1-CD1 3.98Å; L348-L363 HydrophobicContact CD2-CD1 3.99Å; L348-L363 HydrophobicContact CD2-CD2 3.82Å; I361-L363 HydrophobicContact CD1-CD2 3.74Å; I361-L363 HydrophobicContact CD1-CG 4.25Å; I361-L363 HydrophobicContact CG1-CD2 3.88Å; I361-L363 HydrophobicContact CG1-CG 4.15Å; L363-G365 PolarHBondContact O-N 3.05Å; L363-C366 WeakPolarHBondContact O-CB 3.43Å; L363-C366 PolarHBondContact O-N 2.68Å; L363-C366 VanDerWaalsContact O-N 3.12Å; L363-I369 HydrophobicContact CB-CD1 4.33Å; L363-I369 HydrophobicContact CD1-CD1 4.21Å; L363-I369 HydrophobicContact CD2-CD1 4.07Å; L363-I369 HydrophobicContact CG-CD1 4.45Å; L363-L374 HydrophobicContact CD1-CD2 3.82Å; L363-L386 HydrophobicContact CD1-CD1 3.96Å; L363-L386 HydrophobicContact CG-CD1 4.37Å; L363-N387 PolarHBondContact N-O 3.27Å; L363-L388 HydrophobicContact CB-CD2 4Å; L363-L388 HydrophobicContact CD1-CD2 4.25Å
364Y93.2Very high95.1Very high91 Ų9147.1 Ų47.136%0.35723%0.234SC..THydrogen-bonded Turntrans-54.1127.3-179.4164-112.1000111G338 Q339 D362 C366G338-Y364 CarbonylContact C-O 3.25Å; G338-Y364 VanDerWaalsContact C-O 3.25Å; G338-Y364 WeakPolarHBondContact CA-O 3.36Å; Q339-Y364 HydrophobicContact CG-CD1 4.3Å; Q339-Y364 HydrophobicContact CG-CE1 4.28Å; Q339-Y364 PolarHBondContact N-O 3.12Å; D362-Y364 VanDerWaalsContact OD1-CB 3.28Å; D362-Y364 WeakPolarHBondContact OD1-CB 3.44Å; D362-Y364 PolarHBondContact OD1-N 2.99Å; Y364-C366 VanDerWaalsContact C-N 3.28Å; Y364-C366 PolarHBondContact O-N 2.6Å
365G92.1Very high95Very high24 Ų2449.5 Ų49.525%0.24725%0.245CC..THydrogen-bonded Turntrans75.29.7177.100000115.3L363 T367L363-G365 PolarHBondContact O-N 3.05Å; G365-T367 PolarHBondContact O-N 3.25Å; G365-T367 VanDerWaalsContact O-N 3.14Å
366C93.4Very high94.9Very high1 Ų154.9 Ų54.91%0.00727%0.265CS..  trans-7891.7168.9-66.20000110.3I337 L363 Y364 R368 I369I337-C366 PolarHBondContact O-SG 2.82Å; L363-C366 WeakPolarHBondContact O-CB 3.43Å; L363-C366 PolarHBondContact O-N 2.68Å; L363-C366 VanDerWaalsContact O-N 3.12Å; Y364-C366 VanDerWaalsContact C-N 3.28Å; Y364-C366 PolarHBondContact O-N 2.6Å; C366-R368 VanDerWaalsContact C-N 3.33Å; C366-R368 PolarHBondContact O-N 3.23Å; C366-I369 HydrophobicContact CB-CD1 3.34Å; C366-I369 HydrophobicContact CB-CG1 3.98Å
367T92.6Very high94.9Very high109 Ų10952.3 Ų52.367%0.66925%0.247SC*.THydrogen-bonded Turntrans-76.6-9.8-168.653.10000115.6G365G365-T367 PolarHBondContact O-N 3.25Å; G365-T367 VanDerWaalsContact O-N 3.14Å
368R95.1Very high94.8Very high155 Ų15551.5 Ų51.559%0.58525%0.248SC*.BIsolated β-bridgetrans-104.83.2178.9-62.6-173.1179.3-170.3-4114.2V341 T344 C366V341-R368 WeakPolarHBondContact O-CD 3.49Å; V341-R368 WeakPolarHBondContact O-CG 3.39Å; V341-R368 PolarHBondContact O-NE 3.06Å; T344-R368 HydrophobicContact CG2-CB 4.05Å; C366-R368 VanDerWaalsContact C-N 3.33Å; C366-R368 PolarHBondContact O-N 3.23Å
369I94.7Very high94.5Very high7 Ų757.3 Ų57.34%0.03628%0.275CS..  trans-81.7141.7170.3-66.9172.9000107.2I343 L348 L363 C366 L374 W391I343-I369 HydrophobicContact CG2-CD1 4.25Å; L348-I369 HydrophobicContact CD1-CB 4.42Å; L348-I369 HydrophobicContact CD1-CD1 3.86Å; L348-I369 HydrophobicContact CD1-CG1 4.09Å; L348-I369 HydrophobicContact CD1-CG2 3.5Å; L348-I369 HydrophobicContact CD2-CD1 4.05Å; L348-I369 HydrophobicContact CG-CD1 4.01Å; L348-I369 HydrophobicContact CG-CG1 4.29Å; L363-I369 HydrophobicContact CB-CD1 4.33Å; L363-I369 HydrophobicContact CD1-CD1 4.21Å; L363-I369 HydrophobicContact CD2-CD1 4.07Å; L363-I369 HydrophobicContact CG-CD1 4.45Å; C366-I369 HydrophobicContact CB-CD1 3.34Å; C366-I369 HydrophobicContact CB-CG1 3.98Å; I369-L374 HydrophobicContact CG2-CD2 3.87Å; I369-L374 HydrophobicContact CG2-CG 3.93Å; I369-W391 WeakPolarHBondContact O-CZ2 3.21Å
370T94.1Very high94.4Very high67 Ų6756 Ų5641%0.41127%0.266SS..  trans-116.9179.2173.783.20000110.4D345 R372 G373 L374D345-T370 PolarHBondContact OD1-N 3.5Å; D345-T370 WeakPolarHBondContact OD2-CB 3.06Å; D345-T370 PolarHBondContact OD2-OG1 2.96Å; T370-R372 PolarHBondContact O-N 3.12Å; T370-R372 PolarHBondContact OG1-N 3.2Å; T370-G373 PolarHBondContact O-N 3.38Å; T370-L374 WeakPolarHBondContact O-CG 3.33Å; T370-L374 PolarHBondContact O-N 3.24Å
371K91.7Very high94.3Very high111 Ų11158.9 Ų58.948%0.48328%0.284SS..Hα-helixtrans-55.1-32.6173.8-168.4-175.1178.8-151.50112.6L374 E375K371-L374 PolarHBondContact O-N 3.15Å; K371-E375 WeakPolarHBondContact CE-OE1 3.27Å; K371-E375 HydrophobicContact CG-CG 4.29Å; K371-E375 IonicContact NZ-OE1 2.77Å; K371-E375 PolarHBondContact NZ-OE1 2.89Å; K371-E375 WeakPolarHBondContact O-CB 3.48Å; K371-E375 WeakPolarHBondContact O-CG 3.47Å; K371-E375 PolarHBondContact O-N 3.31Å
372R93.9Very high94.2Very high147 Ų14760.7 Ų60.756%0.55530%0.296SS*.Hα-helixtrans-61.4-48.5179.8-168.6-174.988.2-164.46.1111.6E349 T370 L374 E375 R376E349-R372 IonicContact OE1-CZ 3.89Å; E349-R372 IonicContact OE1-NE 2.88Å; E349-R372 PolarHBondContact OE1-NE 2.72Å; E349-R372 VanDerWaalsContact OE1-NE 3.15Å; E349-R372 IonicContact OE1-NH2 3.72Å; E349-R372 PolarHBondContact OE1-NH2 3.02Å; T370-R372 PolarHBondContact O-N 3.12Å; T370-R372 PolarHBondContact OG1-N 3.2Å; R372-L374 VanDerWaalsContact C-N 3.35Å; R372-E375 PolarHBondContact O-N 3.38Å; R372-R376 PolarHBondContact O-N 3.18Å
373G94.5Very high94.2Very high0 Ų059 Ų590%029%0.287CS..Hα-helixtrans-64.5-39.5176.300000112.3D345 L348 T370 R376 I377D345-G373 VanDerWaalsContact CG-N 3.34Å; D345-G373 VanDerWaalsContact OD1-CA 3.27Å; D345-G373 WeakPolarHBondContact OD1-CA 3.32Å; D345-G373 PolarHBondContact OD1-N 3Å; D345-G373 VanDerWaalsContact OD1-N 3.17Å; L348-G373 VanDerWaalsContact CD1-C 3.44Å; L348-G373 WeakPolarHBondContact CD1-O 3.38Å; T370-G373 PolarHBondContact O-N 3.38Å; G373-R376 WeakPolarHBondContact O-CB 3.49Å; G373-R376 PolarHBondContact O-N 3.12Å; G373-I377 PolarHBondContact O-N 3.14Å
374L95Very high94.1Very high19 Ų1965.4 Ų65.410%0.09932%0.315CS..Hα-helixtrans-64.5-41.1176.6-64.9-177.7000113L348 L363 I369 T370 K371 R372 R376 I377 T378 L388 W391L348-L374 HydrophobicContact CD1-CD2 4.41Å; L363-L374 HydrophobicContact CD1-CD2 3.82Å; I369-L374 HydrophobicContact CG2-CD2 3.87Å; I369-L374 HydrophobicContact CG2-CG 3.93Å; T370-L374 WeakPolarHBondContact O-CG 3.33Å; T370-L374 PolarHBondContact O-N 3.24Å; K371-L374 PolarHBondContact O-N 3.15Å; R372-L374 VanDerWaalsContact C-N 3.35Å; L374-R376 PolarHBondContact O-N 3.34Å; L374-I377 PolarHBondContact O-N 3.11Å; L374-T378 WeakPolarHBondContact O-CG2 3.46Å; L374-T378 PolarHBondContact O-N 3.1Å; L374-T378 PolarHBondContact O-OG1 3.49Å; L374-L388 HydrophobicContact CD1-CD1 3.97Å; L374-L388 HydrophobicContact CD1-CD2 4.46Å; L374-L388 HydrophobicContact CD2-CD1 4.41Å; L374-L388 HydrophobicContact CD2-CD2 3.63Å; L374-W391 HydrophobicContact CD1-CD2 4.38Å; L374-W391 HydrophobicContact CD1-CE3 4.39Å; L374-W391 HydrophobicContact CD1-CH2 3.88Å; L374-W391 HydrophobicContact CD1-CZ2 3.82Å; L374-W391 HydrophobicContact CD1-CZ3 4.18Å
375E94Very high94.1Very high89 Ų8964.1 Ų64.142%0.41632%0.317SS..Hα-helixtrans-59.3-38.5173.7-78.1174.1-177.100110.6K371 R372 T378 Q379K371-E375 WeakPolarHBondContact CE-OE1 3.27Å; K371-E375 HydrophobicContact CG-CG 4.29Å; K371-E375 IonicContact NZ-OE1 2.77Å; K371-E375 PolarHBondContact NZ-OE1 2.89Å; K371-E375 WeakPolarHBondContact O-CB 3.48Å; K371-E375 WeakPolarHBondContact O-CG 3.47Å; K371-E375 PolarHBondContact O-N 3.31Å; R372-E375 PolarHBondContact O-N 3.38Å; E375-T378 PolarHBondContact O-OG1 3.34Å; E375-T378 VanDerWaalsContact O-OG1 3.05Å; E375-Q379 WeakPolarHBondContact O-CG 3.5Å; E375-Q379 PolarHBondContact O-NE2 3.09Å
376R94Very high94.2Very high113 Ų11363.1 Ų63.143%0.42631%0.306SS..Hα-helixtrans-68.9-41.1177.8-165.656.7174.8165.4-3112.8E349 A352 R372 G373 L374 Q379E349-R376 HydrophobicContact CG-CG 4.12Å; A352-R376 HydrophobicContact CB-CG 3.66Å; R372-R376 PolarHBondContact O-N 3.18Å; G373-R376 WeakPolarHBondContact O-CB 3.49Å; G373-R376 PolarHBondContact O-N 3.12Å; L374-R376 PolarHBondContact O-N 3.34Å; R376-Q379 PolarHBondContact O-N 3.47Å
377I95.2Very high94.2Very high0 Ų065.1 Ų65.10%032%0.316CS..Hα-helixtrans-68.4-39.3177.5-72.2-66.9000112.3L348 I351 A352 I361 G373 L374 Q379 L380 L383 L386L348-I377 HydrophobicContact CB-CD1 4.1Å; L348-I377 HydrophobicContact CB-CG1 3.77Å; L348-I377 HydrophobicContact CD1-CG1 3.77Å; L348-I377 HydrophobicContact CD2-CD1 4.04Å; L348-I377 HydrophobicContact CD2-CG1 3.87Å; L348-I377 HydrophobicContact CG-CG1 4Å; L348-I377 WeakPolarHBondContact O-CD1 3.33Å; I351-I377 HydrophobicContact CB-CD1 4.04Å; I351-I377 HydrophobicContact CG2-CD1 3.62Å; A352-I377 HydrophobicContact CB-CD1 4.37Å; I361-I377 HydrophobicContact CD1-CD1 4.26Å; I361-I377 HydrophobicContact CG2-CG2 3.83Å; G373-I377 PolarHBondContact O-N 3.14Å; L374-I377 PolarHBondContact O-N 3.11Å; I377-Q379 PolarHBondContact O-N 2.86Å; I377-Q379 VanDerWaalsContact O-N 3.14Å; I377-L380 HydrophobicContact CD1-CD1 4.17Å; I377-L380 HydrophobicContact CG2-CD1 4.49Å; I377-L380 WeakPolarHBondContact O-CB 3.34Å; I377-L380 PolarHBondContact O-N 3.22Å; I377-L383 HydrophobicContact CG2-CD2 3.78Å; I377-L383 WeakPolarHBondContact O-CD2 3.17Å; I377-L386 HydrophobicContact CG2-CD1 4.27Å
378T93.7Very high94Very high62 Ų6260.9 Ų60.938%0.3829%0.289SS..Hα-helixtrans-66.9-13.9-179.951.50000113.6L374 E375 L380 L386 T412L374-T378 WeakPolarHBondContact O-CG2 3.46Å; L374-T378 PolarHBondContact O-N 3.1Å; L374-T378 PolarHBondContact O-OG1 3.49Å; E375-T378 PolarHBondContact O-OG1 3.34Å; E375-T378 VanDerWaalsContact O-OG1 3.05Å; T378-L380 VanDerWaalsContact C-N 3.32Å; T378-L386 HydrophobicContact CG2-CD2 3.72Å; T378-T412 HydrophobicContact CG2-CG2 4.37Å
379Q93.3Very high93.1Very high122 Ų12254.3 Ų54.357%0.5727%0.27SS*.THydrogen-bonded Turntrans-80.3-7.2172.7-67.616812.800113.9E375 R376 I377E375-Q379 WeakPolarHBondContact O-CG 3.5Å; E375-Q379 PolarHBondContact O-NE2 3.09Å; R376-Q379 PolarHBondContact O-N 3.47Å; I377-Q379 PolarHBondContact O-N 2.86Å; I377-Q379 VanDerWaalsContact O-N 3.14Å
380L95.3Very high91.5Very high10 Ų1059.7 Ų59.75%0.05230%0.298CS..  trans-60.2126.9177.2-83.8169.5000110.9I351 A352 L355 L358 I377 T378 C382 L383I351-L380 HydrophobicContact CG2-CD1 4.44Å; A352-L380 HydrophobicContact CB-CG 4.49Å; L355-L380 WeakPolarHBondContact O-CD2 3.45Å; L358-L380 HydrophobicContact CB-CD1 4.29Å; L358-L380 HydrophobicContact CD2-CD1 4.08Å; I377-L380 HydrophobicContact CD1-CD1 4.17Å; I377-L380 HydrophobicContact CG2-CD1 4.49Å; I377-L380 WeakPolarHBondContact O-CB 3.34Å; I377-L380 PolarHBondContact O-N 3.22Å; T378-L380 VanDerWaalsContact C-N 3.32Å; L380-C382 VanDerWaalsContact C-N 3.32Å; L380-C382 PolarHBondContact O-N 3.22Å; L380-L383 HydrophobicContact CB-CB 3.82Å; L380-L383 PolarHBondContact O-N 3.28Å
381P93.8Very high89.8Confident69 Ų6958.6 Ų58.645%0.44829%0.286SS..THydrogen-bonded Turntrans-68-30.6-167.426.2-35.1000113.4
382C95.7Very high88Confident41 Ų4162 Ų6228%0.27730%0.304SS..THydrogen-bonded Turntrans-99.9-1.5-178-69.80000114L358 T359 L380 K384L358-C382 CarbonylContact O-C 3.52Å; L358-C382 VanDerWaalsContact O-C 3.26Å; T359-C382 WeakPolarHBondContact CA-O 3.36Å; T359-C382 HydrophobicContact CG2-CB 4.42Å; L380-C382 VanDerWaalsContact C-N 3.32Å; L380-C382 PolarHBondContact O-N 3.22Å; C382-K384 PolarHBondContact O-N 3.19Å
383L96Very high86Confident1 Ų157.6 Ų57.61%0.00529%0.29CS..  trans-65.5132-176.3-167.569.1000109.8L358 I361 I377 L380 L386 T412L358-L383 WeakPolarHBondContact O-CA 3.42Å; L358-L383 PolarHBondContact O-N 2.91Å; I361-L383 HydrophobicContact CB-CD1 4.49Å; I361-L383 HydrophobicContact CG2-CD1 4.01Å; I377-L383 HydrophobicContact CG2-CD2 3.78Å; I377-L383 WeakPolarHBondContact O-CD2 3.17Å; L380-L383 HydrophobicContact CB-CB 3.82Å; L380-L383 PolarHBondContact O-N 3.28Å; L383-L386 HydrophobicContact CD2-CB 4.41Å; L383-T412 HydrophobicContact CD2-CG2 4.32Å; L383-T412 PolarHBondContact O-OG1 3.42Å
384K94.6Very high84.2Confident135 Ų13561.3 Ų61.359%0.58731%0.313SS*.  trans-124.7-28.7179.1-63.8179.8-175.6179.70112.4T359 C382 R411 T412T359-K384 WeakPolarHBondContact O-CA 3.46Å; T359-K384 PolarHBondContact O-N 3.27Å; C382-K384 PolarHBondContact O-N 3.19Å; K384-R411 WeakPolarHBondContact O-CA 3.47Å; K384-T412 WeakPolarHBondContact CA-OG1 3.42Å; K384-T412 PolarHBondContact N-OG1 3.02Å
385V93.9Very high82.3Confident65 Ų6565.9 Ų65.939%0.39434%0.337SS..EExtended strand (participates in β ladder)trans-131.2117.7-175.6-177.90000108.8T359 G360 I361 T409T359-V385 PolarHBondContact O-N 2.97Å; G360-V385 CarbonylContact C-O 3.56Å; G360-V385 VanDerWaalsContact CA-O 3.24Å; G360-V385 WeakPolarHBondContact CA-O 3.41Å; I361-V385 PolarHBondContact N-O 3.14Å; V385-T409 HydrophobicContact CG1-CG2 3.96Å
386L94.7Very high80.4Confident3 Ų365.8 Ų65.82%0.01635%0.347CS..EExtended strand (participates in β ladder)trans-119.1112.5168.7173.460.2000108I361 L363 I377 T378 L383 L388 T409 V410I361-L386 HydrophobicContact CG2-CD1 3.44Å; I361-L386 VanDerWaalsContact CG2-CD1 3.44Å; I361-L386 WeakPolarHBondContact O-CA 3.28Å; L363-L386 HydrophobicContact CD1-CD1 3.96Å; L363-L386 HydrophobicContact CG-CD1 4.37Å; I377-L386 HydrophobicContact CG2-CD1 4.27Å; T378-L386 HydrophobicContact CG2-CD2 3.72Å; L383-L386 HydrophobicContact CD2-CB 4.41Å; L386-L388 HydrophobicContact CD1-CD2 3.86Å; L386-L388 HydrophobicContact CD1-CG 4.39Å; L386-L388 HydrophobicContact CD2-CD1 4.36Å; L386-L388 HydrophobicContact CD2-CD2 4.41Å; L386-L388 HydrophobicContact CD2-CG 4.41Å; L386-L388 HydrophobicContact CG-CD2 4.06Å; L386-L388 HydrophobicContact CG-CG 4.06Å; L386-T409 WeakPolarHBondContact O-CA 3.19Å; L386-V410 PolarHBondContact N-O 3.38Å; L386-V410 PolarHBondContact O-N 3.18Å; L386-V410 VanDerWaalsContact O-N 3.08Å
387N92.1Very high78.2Confident43 Ų4363.4 Ų63.423%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-97.1118.8174-175.821.1000110.2I361 D362 L363 G389I361-N387 PolarHBondContact O-N 3.42Å; D362-N387 HydrophobicContact CB-CB 4.16Å; D362-N387 PolarHBondContact OD1-ND2 3.5Å; D362-N387 PolarHBondContact OD2-ND2 3.03Å; L363-N387 PolarHBondContact N-O 3.27Å; N387-G389 PolarHBondContact OD1-N 3.43Å
388L88.1Confident75.7Confident20 Ų2068.1 Ų68.111%0.10536%0.361CS..  trans-110.3-9.8173.1-58.8179.9000112L363 L374 L386 L390 W391 F408L363-L388 HydrophobicContact CB-CD2 4Å; L363-L388 HydrophobicContact CD1-CD2 4.25Å; L374-L388 HydrophobicContact CD1-CD1 3.97Å; L374-L388 HydrophobicContact CD1-CD2 4.46Å; L374-L388 HydrophobicContact CD2-CD1 4.41Å; L374-L388 HydrophobicContact CD2-CD2 3.63Å; L386-L388 HydrophobicContact CD1-CD2 3.86Å; L386-L388 HydrophobicContact CD1-CG 4.39Å; L386-L388 HydrophobicContact CD2-CD1 4.36Å; L386-L388 HydrophobicContact CD2-CD2 4.41Å; L386-L388 HydrophobicContact CD2-CG 4.41Å; L386-L388 HydrophobicContact CG-CD2 4.06Å; L386-L388 HydrophobicContact CG-CG 4.06Å; L388-L390 PolarHBondContact O-N 3.41Å; L388-W391 HydrophobicContact CB-CB 3.97Å; L388-W391 WeakPolarHBondContact O-CB 3.43Å; L388-W391 PolarHBondContact O-N 3.35Å; L388-W391 VanDerWaalsContact O-N 3.15Å; L388-F408 HydrophobicContact CB-CB 4.48Å; L388-F408 PolarHBondContact N-O 2.83Å
389G76Confident73.5Confident17 Ų1773.1 Ų73.118%0.17538%0.38CS..SBendtrans48-126-171.600000112.6N387 W391N387-G389 PolarHBondContact OD1-N 3.43Å; G389-W391 VanDerWaalsContact C-N 3.32Å; G389-W391 PolarHBondContact O-N 2.94Å
390L62Low71.4Confident119 Ų11971.3 Ų71.362%0.62339%0.386SS*.SBendtrans-91.545.8177.1-63.4172.7000112.4L388 Q392 P406L388-L390 PolarHBondContact O-N 3.41Å; L390-Q392 PolarHBondContact O-N 2.59Å; L390-P406 HydrophobicContact CD2-CB 4.08Å
391W57.5Low68.7Low44 Ų4479.2 Ų79.217%0.16742%0.415CS..  trans-56.2110.9176.6-16180.5000109.4I369 L374 L388 G389 M393I369-W391 WeakPolarHBondContact O-CZ2 3.21Å; L374-W391 HydrophobicContact CD1-CD2 4.38Å; L374-W391 HydrophobicContact CD1-CE3 4.39Å; L374-W391 HydrophobicContact CD1-CH2 3.88Å; L374-W391 HydrophobicContact CD1-CZ2 3.82Å; L374-W391 HydrophobicContact CD1-CZ3 4.18Å; L388-W391 HydrophobicContact CB-CB 3.97Å; L388-W391 WeakPolarHBondContact O-CB 3.43Å; L388-W391 PolarHBondContact O-N 3.35Å; L388-W391 VanDerWaalsContact O-N 3.15Å; G389-W391 VanDerWaalsContact C-N 3.32Å; G389-W391 PolarHBondContact O-N 2.94Å; W391-M393 HydrophobicContact CE3-CG 4.04Å; W391-M393 HydrophobicContact CZ3-CG 4.06Å; W391-M393 PolarHBondContact O-N 3.21Å
392Q54.6Low65.9Low183 Ų18379.4 Ų79.486%0.85543%0.43SS*.  trans-71.3100.1-175.9-74.5-178.5-10.500108.5L390L390-Q392 PolarHBondContact O-N 2.59Å
393M52.4Low63Low55 Ų5584.6 Ų84.627%0.27146%0.455SS..  trans-62.6138.1161.4-73.4-171.3-177.700108.8W391 E397 K398W391-M393 HydrophobicContact CE3-CG 4.04Å; W391-M393 HydrophobicContact CZ3-CG 4.06Å; W391-M393 PolarHBondContact O-N 3.21Å; M393-E397 WeakPolarHBondContact CA-OE2 3.05Å; M393-E397 HydrophobicContact CB-CB 3.83Å; M393-E397 HydrophobicContact CG-CB 4.31Å; M393-E397 HydrophobicContact SD-CB 4.4Å; M393-K398 HydrophobicContact CB-CG 4.31Å; M393-K398 WeakPolarHBondContact O-CE 3.42Å
394T56.4Low59.9Low78 Ų7893.1 Ų93.148%0.47949%0.492SS..  trans-59156.5170.756.40000110.2S396 E397 K398T394-S396 PolarHBondContact O-N 3.02Å; T394-S396 PolarHBondContact OG1-OG 3.27Å; T394-E397 PolarHBondContact N-OE2 2.78Å; T394-E397 WeakPolarHBondContact O-CA 3.19Å; T394-E397 WeakPolarHBondContact O-CB 3.38Å; T394-E397 PolarHBondContact O-N 2.78Å; T394-E397 WeakPolarHBondContact OG1-CG 3.35Å; T394-E397 PolarHBondContact OG1-OE2 3.17Å; T394-K398 PolarHBondContact O-N 2.56Å; T394-K398 VanDerWaalsContact O-N 3.08Å
395D54.4Low56.9Low114 Ų11490.4 Ų90.461%0.6149%0.49SS*.Hα-helixtrans-62.1-32.8-174.5-68.9-34.2000112.7E397 K398 E399D395-E397 PolarHBondContact O-N 3.18Å; D395-K398 PolarHBondContact O-N 3.18Å; D395-K398 IonicContact OD1-NZ 3.82Å; D395-K398 PolarHBondContact OD1-NZ 3.15Å; D395-E399 PolarHBondContact O-N 2.83Å
396S54.8Low54.1Low87 Ų8792 Ų9261%0.60850%0.502SS*.Hα-helixtrans-62.8-28.4170.550.40000113.4T394T394-S396 PolarHBondContact O-N 3.02Å; T394-S396 PolarHBondContact OG1-OG 3.27Å
397E48.6Very low51.2Low63 Ų6399.2 Ų99.229%0.29454%0.539SS..Hα-helixtrans-83.4-28.2177.6-70.2170.213900112.6M393 T394 D395M393-E397 WeakPolarHBondContact CA-OE2 3.05Å; M393-E397 HydrophobicContact CB-CB 3.83Å; M393-E397 HydrophobicContact CG-CB 4.31Å; M393-E397 HydrophobicContact SD-CB 4.4Å; T394-E397 PolarHBondContact N-OE2 2.78Å; T394-E397 WeakPolarHBondContact O-CA 3.19Å; T394-E397 WeakPolarHBondContact O-CB 3.38Å; T394-E397 PolarHBondContact O-N 2.78Å; T394-E397 WeakPolarHBondContact OG1-CG 3.35Å; T394-E397 PolarHBondContact OG1-OE2 3.17Å; D395-E397 PolarHBondContact O-N 3.18Å
398K42.9Very low49.3Very low100 Ų100101.2 Ų101.244%0.43555%0.546SS..Hα-helixtrans-67.3-41.4173-66.7178-167.91520111.5M393 T394 D395 A400 R401M393-K398 HydrophobicContact CB-CG 4.31Å; M393-K398 WeakPolarHBondContact O-CE 3.42Å; T394-K398 PolarHBondContact O-N 2.56Å; T394-K398 VanDerWaalsContact O-N 3.08Å; D395-K398 PolarHBondContact O-N 3.18Å; D395-K398 IonicContact OD1-NZ 3.82Å; D395-K398 PolarHBondContact OD1-NZ 3.15Å; K398-A400 VanDerWaalsContact C-N 3.27Å; K398-A400 PolarHBondContact O-N 3.3Å; K398-R401 PolarHBondContact O-N 2.77Å
399E47.1Very low47.5Very low166 Ų166103.7 Ų103.778%0.77656%0.562SS**Hα-helixtrans-62.3-33179.3-72.8179.8171.100112.6D395 R401D395-E399 PolarHBondContact O-N 2.83Å; E399-R401 PolarHBondContact O-N 2.71Å
400A49.4Very low46.7Very low85 Ų85105.8 Ų105.870%0.70257%0.572SS**THydrogen-bonded Turntrans-76.7-14-176.900000115.1K398K398-A400 VanDerWaalsContact C-N 3.27Å; K398-A400 PolarHBondContact O-N 3.3Å
401R37.7Very low46.1Very low176 Ų176110.6 Ų110.666%0.66458%0.581SS**THydrogen-bonded Turntrans-121.3-0.4-168.6-101.3-174176.6-176.40.4118.1K398 E399 D403K398-R401 PolarHBondContact O-N 2.77Å; E399-R401 PolarHBondContact O-N 2.71Å; R401-D403 PolarHBondContact O-N 3.25Å
402G35.8Very low45.9Very low73 Ų73109.8 Ų109.875%0.75358%0.581SS**  trans58.75.515500000119.7
403D34.7Very low45.6Very low150 Ų150113 Ų11380%0.80259%0.585SS**  trans-158.5132.2175-135.9-16000114.4R401R401-D403 PolarHBondContact O-N 3.25Å
404F29.6Very low45.1Very low180 Ų180112.7 Ų112.779%0.78960%0.597SS**  trans-100118-172.6-82.3-96.3000111.3
405S32Very low44.3Very low78 Ų78112.7 Ų112.755%0.54560%0.6SS.*  trans-144.8120.815469.20000111.2L407 F408S405-L407 VanDerWaalsContact C-N 3.3Å; S405-L407 PolarHBondContact O-N 3.25Å; S405-L407 VanDerWaalsContact O-N 3.1Å; S405-F408 WeakPolarHBondContact O-CE2 3.48Å
406P34.8Very low43.4Very low98 Ų98112.6 Ų112.664%0.63661%0.608SS**SBendtrans-87.837.4-165.634.6-36.6000115.1L390L390-P406 HydrophobicContact CD2-CB 4.08Å
407L35.5Very low42.3Very low154 Ų154119.8 Ų119.881%0.80662%0.622SS**  trans-133.173.2171.7-89.2157.8000109.3S405 T409S405-L407 VanDerWaalsContact C-N 3.3Å; S405-L407 PolarHBondContact O-N 3.25Å; S405-L407 VanDerWaalsContact O-N 3.1Å; L407-T409 PolarHBondContact O-N 3.08Å
408F51.2Low41.5Very low86 Ų86131.4 Ų131.438%0.37766%0.663SS.*  trans-77.267.9177.8-66-80.8000111.1L388 S405L388-F408 HydrophobicContact CB-CB 4.48Å; L388-F408 PolarHBondContact N-O 2.83Å; S405-F408 WeakPolarHBondContact O-CE2 3.48Å
409T51.1Low41.5Very low71 Ų71133 Ų13344%0.43667%0.674SS.*EExtended strand (participates in β ladder)trans-87.596.3151.9-600000107V385 L386 L407 R411V385-T409 HydrophobicContact CG1-CG2 3.96Å; L386-T409 WeakPolarHBondContact O-CA 3.19Å; L407-T409 PolarHBondContact O-N 3.08Å; T409-R411 PolarHBondContact O-N 2.78Å
410V57.4Low41.2Very low62 Ų62131.2 Ų131.238%0.37667%0.669SS.*EExtended strand (participates in β ladder)trans-77.6112.8175.6-177.40000107.4L386 T412L386-V410 PolarHBondContact N-O 3.38Å; L386-V410 PolarHBondContact O-N 3.18Å; L386-V410 VanDerWaalsContact O-N 3.08Å; V410-T412 HydrophobicContact CG1-CG2 4.23Å; V410-T412 PolarHBondContact O-N 2.87Å
411R50.9Low40.7Very low219 Ų219133.8 Ų133.883%0.82667%0.667SS**  trans-76.6101164-75.7-174.3179.6172.71.3108.1K384 T409K384-R411 WeakPolarHBondContact O-CA 3.47Å; T409-R411 PolarHBondContact O-N 2.78Å
412T52.7Low40.9Very low27 Ų27131.3 Ų131.317%0.16667%0.667CS.*  trans-68.8130.8176.442.70000109.5T378 L383 K384 V410 G414T378-T412 HydrophobicContact CG2-CG2 4.37Å; L383-T412 HydrophobicContact CD2-CG2 4.32Å; L383-T412 PolarHBondContact O-OG1 3.42Å; K384-T412 WeakPolarHBondContact CA-OG1 3.42Å; K384-T412 PolarHBondContact N-OG1 3.02Å; V410-T412 HydrophobicContact CG1-CG2 4.23Å; V410-T412 PolarHBondContact O-N 2.87Å; T412-G414 PolarHBondContact O-N 3.39Å
413R48Very low41.2Very low250 Ų250134.9 Ų134.994%0.94366%0.662SS**  trans-68.8101.9175.2-73.2-174.9179.2-176.90.6107.7S415R413-S415 PolarHBondContact O-N 3.35Å
414G42.6Very low41.6Very low49 Ų49133.9 Ų133.951%0.50565%0.653SS.*  trans-53.9130173.500000109.8T412 S416T412-G414 PolarHBondContact O-N 3.39Å; G414-S416 PolarHBondContact O-N 3.33Å
415S39.8Very low42.5Very low79 Ų79130.6 Ų130.655%0.55264%0.643SS**  trans-57.7107-178.157.60000109.9R413 R417R413-S415 PolarHBondContact O-N 3.35Å; S415-R417 VanDerWaalsContact C-N 3.26Å; S415-R417 PolarHBondContact O-N 3.26Å
416S34.1Very low43.3Very low111 Ų111134.7 Ų134.778%0.77665%0.651SS**  trans-70.690.2161.662.60000107G414 R418G414-S416 PolarHBondContact O-N 3.33Å; S416-R418 PolarHBondContact O-N 3.26Å; S416-R418 VanDerWaalsContact O-N 3.1Å
417R33.2Very low44Very low238 Ų238137.8 Ų137.890%0.89865%0.652SS**  trans-66.6105.9159.8-77.3-173.6176.4-174.6-1.4106.3S415S415-R417 VanDerWaalsContact C-N 3.26Å; S415-R417 PolarHBondContact O-N 3.26Å
418R31.7Very low44.8Very low307 Ų307136.3 Ų136.3100%1.15864%0.638SS**  trans-71.50157.1-86.6-173.1176.2-175.1-1.1108.9S416S416-R418 PolarHBondContact O-N 3.26Å; S416-R418 VanDerWaalsContact O-N 3.1Å

Retrieved 418 of 418 residues in 122.4 ms (Link to these results)

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