A0A087XPG2_POEFO Loading...

Large ribosomal subunit protein uL24m

AlphaFold DB , UniProt , Accession A0A087XPG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 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
1M42.7Very low48.9Very low229 Ų229108.9 Ų108.9100%1.12860%0.603SS**  0125.10-79.6-168.1-172.100109.9
2R44.2Very low51.1Low178 Ų178119.6 Ų119.667%0.67263%0.627SS**  trans63.857.1144-53.8-179.2177.8-175.52121.3T4 A5 L6R2-T4 PolarHBondContact O-N 3.26Å; R2-A5 HydrophobicContact CB-CB 3.59Å; R2-A5 HydrophobicContact CG-CB 4.18Å; R2-A5 PolarHBondContact O-N 3.33Å; R2-L6 PolarHBondContact O-N 3.41Å
3L41.9Very low53.3Low140 Ų140114.8 Ų114.873%0.73361%0.605SS**Hα-helixtrans-52.7-35.1154.1-95.8159.2000111.8L6 L7L3-L6 PolarHBondContact O-N 3.4Å; L3-L7 WeakPolarHBondContact O-CB 3.5Å; L3-L7 PolarHBondContact O-N 2.59Å
4T47.8Very low55.5Low111 Ų111115.9 Ų115.968%0.68162%0.618SS**Hα-helixtrans-67.6-32.8177.248.40000114.3R2 S8R2-T4 PolarHBondContact O-N 3.26Å; T4-S8 WeakPolarHBondContact O-CB 3.18Å; T4-S8 PolarHBondContact O-N 2.9Å; T4-S8 PolarHBondContact O-OG 3.3Å
5A48.4Very low57.5Low27 Ų27110.8 Ų110.822%0.22359%0.594CS.*Hα-helixtrans-74.6-37.8175.300000111.3R2 S8 M9R2-A5 HydrophobicContact CB-CB 3.59Å; R2-A5 HydrophobicContact CG-CB 4.18Å; R2-A5 PolarHBondContact O-N 3.33Å; A5-S8 WeakPolarHBondContact CA-OG 3.38Å; A5-S8 PolarHBondContact O-OG 3.04Å; A5-M9 VanDerWaalsContact O-CG 3.28Å; A5-M9 WeakPolarHBondContact O-CG 3.19Å; A5-M9 PolarHBondContact O-N 2.69Å
6L47.3Very low59.4Low110 Ų110109.4 Ų109.458%0.57659%0.592SS**Hα-helixtrans-66.6-44.6174.8-75.7166.8000111.9R2 L3 S8 M9 A10R2-L6 PolarHBondContact O-N 3.41Å; L3-L6 PolarHBondContact O-N 3.4Å; L6-S8 PolarHBondContact O-N 3.43Å; L6-M9 CarbonylContact O-C 3.59Å; L6-M9 WeakPolarHBondContact O-CA 3.49Å; L6-M9 WeakPolarHBondContact O-CB 3.24Å; L6-M9 PolarHBondContact O-N 3.42Å; L6-M9 VanDerWaalsContact O-N 3.08Å; L6-A10 PolarHBondContact O-N 2.91Å
7L47.5Very low60.9Low121 Ų121115.5 Ų115.563%0.63461%0.612SS**Hα-helixtrans-63-39.8175-97.5151.2000112.9L3 M9 A10 A11L3-L7 WeakPolarHBondContact O-CB 3.5Å; L3-L7 PolarHBondContact O-N 2.59Å; L7-M9 VanDerWaalsContact C-N 3.25Å; L7-M9 PolarHBondContact O-N 3.43Å; L7-A10 PolarHBondContact O-N 3.41Å; L7-A10 VanDerWaalsContact O-N 3.17Å; L7-A11 PolarHBondContact O-N 2.9Å; L7-A11 VanDerWaalsContact O-N 3.15Å
8S51.2Low62.3Low55 Ų55115.3 Ų115.339%0.38561%0.611SS.*Hα-helixtrans-71-19.3173.865.20000113.7T4 A5 L6T4-S8 WeakPolarHBondContact O-CB 3.18Å; T4-S8 PolarHBondContact O-N 2.9Å; T4-S8 PolarHBondContact O-OG 3.3Å; A5-S8 WeakPolarHBondContact CA-OG 3.38Å; A5-S8 PolarHBondContact O-OG 3.04Å; L6-S8 PolarHBondContact O-N 3.43Å
9M49.9Very low63.8Low83 Ų83110.8 Ų110.841%0.40959%0.585SS.*Hα-helixtrans-79.3-30.8167.6-73.4-168.8-173.400112.6A5 L6 L7 R162A5-M9 VanDerWaalsContact O-CG 3.28Å; A5-M9 WeakPolarHBondContact O-CG 3.19Å; A5-M9 PolarHBondContact O-N 2.69Å; L6-M9 CarbonylContact O-C 3.59Å; L6-M9 WeakPolarHBondContact O-CA 3.49Å; L6-M9 WeakPolarHBondContact O-CB 3.24Å; L6-M9 PolarHBondContact O-N 3.42Å; L6-M9 VanDerWaalsContact O-N 3.08Å; L7-M9 VanDerWaalsContact C-N 3.25Å; L7-M9 PolarHBondContact O-N 3.43Å; M9-R162 HydrophobicContact CE-CG 4.34Å
10A51Low65.2Low81 Ų81109.5 Ų109.567%0.66957%0.572SS**Hα-helixtrans-76.3-27-179.700000113.6L6 L7 R12L6-A10 PolarHBondContact O-N 2.91Å; L7-A10 PolarHBondContact O-N 3.41Å; L7-A10 VanDerWaalsContact O-N 3.17Å; A10-R12 PolarHBondContact O-N 3.36Å
11A66.3Low66.6Low63 Ų63106.1 Ų106.152%0.52155%0.552SS.*SBendtrans-66.4116177.400000111.2L7 V13L7-A11 PolarHBondContact O-N 2.9Å; L7-A11 VanDerWaalsContact O-N 3.15Å; A11-V13 WeakPolarHBondContact O-CG2 3.32Å; A11-V13 PolarHBondContact O-N 3.08Å
12R74.5Confident69Low237 Ų23796.4 Ų96.489%0.89451%0.51SS*.  trans-64.7108.6176.5-170.6175.7-178.8173.70.8109.8A10 V14A10-R12 PolarHBondContact O-N 3.36Å; R12-V14 PolarHBondContact O-N 3.03Å
13V80.3Confident71.4Confident57 Ų5790.7 Ų90.735%0.34550%0.495SS..  trans-78.1107.9-179-173.30000109.7A11 T15 P26 W27A11-V13 WeakPolarHBondContact O-CG2 3.32Å; A11-V13 PolarHBondContact O-N 3.08Å; V13-T15 HydrophobicContact CG1-CG2 4.23Å; V13-P26 HydrophobicContact CG1-CB 4.07Å; V13-W27 HydrophobicContact CG1-CB 4.33Å; V13-W27 HydrophobicContact CG2-CB 3.78Å; V13-W27 HydrophobicContact CG2-CD2 4.19Å; V13-W27 HydrophobicContact CG2-CE3 3.81Å; V13-W27 HydrophobicContact CG2-CG 4.25Å
14V83.3Confident73.8Confident130 Ų13087 Ų8779%0.78848%0.476SS*.  trans-81.2120.8172.9-1760000108.7R12R12-V14 PolarHBondContact O-N 3.03Å
15T86.3Confident75.9Confident40 Ų4086.6 Ų86.625%0.24546%0.462CS..  trans-114139.8175.645.40000109.7V13 Y19 Y21 P26V13-T15 HydrophobicContact CG1-CG2 4.23Å; T15-Y19 HydrophobicContact CG2-CD1 4.36Å; T15-Y19 HydrophobicContact CG2-CD2 4.2Å; T15-Y19 HydrophobicContact CG2-CE2 4.42Å; T15-Y19 HydrophobicContact CG2-CG 4.15Å; T15-Y21 PolarHBondContact OG1-OH 3.44Å; T15-P26 HydrophobicContact CG2-CB 3.73Å; T15-P26 HydrophobicContact CG2-CG 4.28Å
16P87.9Confident77.9Confident88 Ų8886.6 Ų86.657%0.57146%0.46SS*.  trans-57.4154.7173.3-24.633.6000112.3D18 Y19P16-D18 PolarHBondContact O-N 3.03Å; P16-Y19 WeakPolarHBondContact O-CB 3.35Å; P16-Y19 PolarHBondContact O-N 3.39Å
17K84.9Confident79.8Confident213 Ų21385.4 Ų85.493%0.92645%0.448SS*.THydrogen-bonded Turntrans-54.9-39.1177.7-67.6-176.2179.6-179.50112.5Y19K17-Y19 VanDerWaalsContact C-N 3.31Å; K17-Y19 PolarHBondContact O-N 3.32Å
18D85.6Confident81.9Confident113 Ų11381.7 Ų81.760%0.60443%0.43SS*.THydrogen-bonded Turntrans-92.921.2-178.7-57.5-42.1000113.7P16 R20P16-D18 PolarHBondContact O-N 3.03Å; D18-R20 PolarHBondContact O-N 3.48Å
19Y91Very high83.8Confident30 Ų3085.6 Ų85.612%0.11844%0.442CS..  trans-62.8123.1-179.3-175.7-91.2000111.7T15 P16 K17 Y21 P26 N35T15-Y19 HydrophobicContact CG2-CD1 4.36Å; T15-Y19 HydrophobicContact CG2-CD2 4.2Å; T15-Y19 HydrophobicContact CG2-CE2 4.42Å; T15-Y19 HydrophobicContact CG2-CG 4.15Å; P16-Y19 WeakPolarHBondContact O-CB 3.35Å; P16-Y19 PolarHBondContact O-N 3.39Å; K17-Y19 VanDerWaalsContact C-N 3.31Å; K17-Y19 PolarHBondContact O-N 3.32Å; Y19-Y21 AromaticContact CD1-CD1 3.79Å; Y19-Y21 HydrophobicContact CD1-CD1 3.79Å; Y19-Y21 AromaticContact CD1-CD2 3.85Å; Y19-Y21 HydrophobicContact CD1-CD2 3.85Å; Y19-Y21 AromaticContact CD1-CE1 3.56Å; Y19-Y21 HydrophobicContact CD1-CE1 3.56Å; Y19-Y21 AromaticContact CD1-CE2 3.6Å; Y19-Y21 HydrophobicContact CD1-CE2 3.6Å; Y19-Y21 AromaticContact CD1-CG 3.9Å; Y19-Y21 HydrophobicContact CD1-CG 3.9Å; Y19-Y21 AromaticContact CD1-CZ 3.41Å; Y19-Y21 VanDerWaalsContact CD1-CZ 3.41Å; Y19-Y21 AromaticContact CE1-CD1 3.69Å; Y19-Y21 HydrophobicContact CE1-CD1 3.69Å; Y19-Y21 HydrophobicContact CE1-CD2 4.49Å; Y19-Y21 AromaticContact CE1-CE1 3.7Å; Y19-Y21 HydrophobicContact CE1-CE1 3.7Å; Y19-Y21 HydrophobicContact CE1-CE2 4.47Å; Y19-Y21 HydrophobicContact CE1-CG 4.07Å; Y19-Y21 HydrophobicContact CG-CE2 4.43Å; Y19-Y21 WeakPolarHBondContact O-CD2 3.28Å; Y19-Y21 WeakPolarHBondContact O-CE2 3.24Å; Y19-Y21 PolarHBondContact O-N 3.49Å; Y19-P26 HydrophobicContact CE1-CB 4.19Å; Y19-P26 HydrophobicContact CE1-CG 4.07Å; Y19-P26 WeakPolarHBondContact OH-CA 3.31Å; Y19-N35 HydrophobicContact CD2-CB 4.31Å; Y19-N35 HydrophobicContact CE2-CB 3.72Å; Y19-N35 WeakPolarHBondContact CE2-ND2 3.48Å; Y19-N35 VanDerWaalsContact CZ-ND2 3.33Å; Y19-N35 PolarHBondContact OH-ND2 3.12Å
20R92.6Very high85.8Confident84 Ų8484 Ų8432%0.31744%0.442SS..  trans-84.6103.6175.5-175.2176.5-78.3-170.3-3.9110.4D18 N35 K42D18-R20 PolarHBondContact O-N 3.48Å; R20-N35 PolarHBondContact O-ND2 2.91Å; R20-K42 PolarHBondContact NH2-O 3.01Å
21Y93.3Very high87.7Confident39 Ų3980.1 Ų80.115%0.15341%0.41CS..  trans-63.2136.1173.2-66.7-84.7000111.5T15 Y19 P26 R82 R83T15-Y21 PolarHBondContact OG1-OH 3.44Å; Y19-Y21 AromaticContact CD1-CD1 3.79Å; Y19-Y21 HydrophobicContact CD1-CD1 3.79Å; Y19-Y21 AromaticContact CD1-CD2 3.85Å; Y19-Y21 HydrophobicContact CD1-CD2 3.85Å; Y19-Y21 AromaticContact CD1-CE1 3.56Å; Y19-Y21 HydrophobicContact CD1-CE1 3.56Å; Y19-Y21 AromaticContact CD1-CE2 3.6Å; Y19-Y21 HydrophobicContact CD1-CE2 3.6Å; Y19-Y21 AromaticContact CD1-CG 3.9Å; Y19-Y21 HydrophobicContact CD1-CG 3.9Å; Y19-Y21 AromaticContact CD1-CZ 3.41Å; Y19-Y21 VanDerWaalsContact CD1-CZ 3.41Å; Y19-Y21 AromaticContact CE1-CD1 3.69Å; Y19-Y21 HydrophobicContact CE1-CD1 3.69Å; Y19-Y21 HydrophobicContact CE1-CD2 4.49Å; Y19-Y21 AromaticContact CE1-CE1 3.7Å; Y19-Y21 HydrophobicContact CE1-CE1 3.7Å; Y19-Y21 HydrophobicContact CE1-CE2 4.47Å; Y19-Y21 HydrophobicContact CE1-CG 4.07Å; Y19-Y21 HydrophobicContact CG-CE2 4.43Å; Y19-Y21 WeakPolarHBondContact O-CD2 3.28Å; Y19-Y21 WeakPolarHBondContact O-CE2 3.24Å; Y19-Y21 PolarHBondContact O-N 3.49Å; Y21-P26 HydrophobicContact CD1-CG 4.23Å; Y21-P26 HydrophobicContact CE1-CG 3.79Å; Y21-R82 HydrophobicContact CD2-CB 4Å; Y21-R82 VanDerWaalsContact CD2-CD 3.42Å; Y21-R82 HydrophobicContact CD2-CG 4.38Å; Y21-R82 HydrophobicContact CG-CB 4.06Å; Y21-R82 PolarHBondContact OH-NH1 2.72Å; Y21-R82 PolarHBondContact OH-NH2 3.01Å; Y21-R83 WeakPolarHBondContact O-CD 2.99Å; Y21-R83 PolarHBondContact O-NH1 3.47Å; Y21-R83 VanDerWaalsContact O-NH1 3.16Å
22G93.6Very high88.9Confident24 Ų2482.5 Ų82.525%0.24741%0.409CS..  trans-123.1-161.8172.200000110.3N24G22-N24 VanDerWaalsContact C-N 3.33Å
23T93.9Very high89.8Confident58 Ų5881.7 Ų81.736%0.35641%0.406SS..SBendtrans-73.4-27.6174.649.90000112.6F80 I87 P114T23-F80 HydrophobicContact CG2-CZ 4.37Å; T23-F80 VanDerWaalsContact O-CE1 3.31Å; T23-F80 WeakPolarHBondContact O-CE1 3.35Å; T23-F80 WeakPolarHBondContact O-CZ 3.1Å; T23-I87 HydrophobicContact CG2-CD1 4.15Å; T23-P114 HydrophobicContact CG2-CG 4.25Å
24N93.2Very high90.3Very high62 Ų6283 Ų8333%0.33241%0.409SS..SBendtrans-79.7142.4178.3-65.2-25.5000111.8G22 A30 A31 M34G22-N24 VanDerWaalsContact C-N 3.33Å; N24-A30 WeakPolarHBondContact ND2-CB 3.15Å; N24-A31 HydrophobicContact CB-CB 4.08Å; N24-M34 HydrophobicContact CB-CE 4.1Å; N24-M34 WeakPolarHBondContact ND2-CE 3.39Å
25R91Very high90.7Very high104 Ų10478.3 Ų78.339%0.39238%0.38SS..  trans-67.4141.7176.6-70.6166.5175.4-89.94.4110.3W27 T28 A31 R162R25-W27 VanDerWaalsContact C-N 3.27Å; R25-W27 HydrophobicContact CB-CD2 3.99Å; R25-W27 HydrophobicContact CB-CE3 3.96Å; R25-W27 HydrophobicContact CB-CH2 3.92Å; R25-W27 HydrophobicContact CB-CZ2 3.92Å; R25-W27 HydrophobicContact CB-CZ3 3.92Å; R25-W27 VanDerWaalsContact CD-CZ2 3.47Å; R25-W27 HydrophobicContact CG-CH2 3.98Å; R25-W27 HydrophobicContact CG-CZ2 4.07Å; R25-W27 HydrophobicContact CG-CZ3 4.36Å; R25-W27 VanDerWaalsContact NH1-CH2 3.3Å; R25-W27 PolarHBondContact O-N 2.94Å; R25-W27 VanDerWaalsContact O-N 3.1Å; R25-T28 HydrophobicContact CB-CG2 3.92Å; R25-T28 WeakPolarHBondContact O-CB 3.34Å; R25-T28 WeakPolarHBondContact O-CG2 3.41Å; R25-T28 PolarHBondContact O-N 3.33Å; R25-T28 PolarHBondContact O-OG1 3.35Å; R25-A31 WeakPolarHBondContact O-CB 3.28Å; R25-R162 VanDerWaalsContact NH1-NH2 3.16Å
26P90.8Very high90.9Very high27 Ų2779 Ų7918%0.17539%0.385CS..THydrogen-bonded Turntrans-59.6-29-168.9-27.734.9000116.5V13 T15 Y19 Y21 T28V13-P26 HydrophobicContact CG1-CB 4.07Å; T15-P26 HydrophobicContact CG2-CB 3.73Å; T15-P26 HydrophobicContact CG2-CG 4.28Å; Y19-P26 HydrophobicContact CE1-CB 4.19Å; Y19-P26 HydrophobicContact CE1-CG 4.07Å; Y19-P26 WeakPolarHBondContact OH-CA 3.31Å; Y21-P26 HydrophobicContact CD1-CG 4.23Å; Y21-P26 HydrophobicContact CE1-CG 3.79Å; P26-T28 VanDerWaalsContact C-N 3.32Å
27W87.1Confident90.9Very high84 Ų8481.2 Ų81.232%0.31840%0.399SS..THydrogen-bonded Turntrans-81-8.7179.258.298.9000114.3V13 R25V13-W27 HydrophobicContact CG1-CB 4.33Å; V13-W27 HydrophobicContact CG2-CB 3.78Å; V13-W27 HydrophobicContact CG2-CD2 4.19Å; V13-W27 HydrophobicContact CG2-CE3 3.81Å; V13-W27 HydrophobicContact CG2-CG 4.25Å; R25-W27 VanDerWaalsContact C-N 3.27Å; R25-W27 HydrophobicContact CB-CD2 3.99Å; R25-W27 HydrophobicContact CB-CE3 3.96Å; R25-W27 HydrophobicContact CB-CH2 3.92Å; R25-W27 HydrophobicContact CB-CZ2 3.92Å; R25-W27 HydrophobicContact CB-CZ3 3.92Å; R25-W27 VanDerWaalsContact CD-CZ2 3.47Å; R25-W27 HydrophobicContact CG-CH2 3.98Å; R25-W27 HydrophobicContact CG-CZ2 4.07Å; R25-W27 HydrophobicContact CG-CZ3 4.36Å; R25-W27 VanDerWaalsContact NH1-CH2 3.3Å; R25-W27 PolarHBondContact O-N 2.94Å; R25-W27 VanDerWaalsContact O-N 3.1Å
28T91.2Very high91Very high43 Ų4374.7 Ų74.726%0.26439%0.392SS..SBendtrans-73.2149.3-178.761.10000111.7R25 P26 A30 A31 K32R25-T28 HydrophobicContact CB-CG2 3.92Å; R25-T28 WeakPolarHBondContact O-CB 3.34Å; R25-T28 WeakPolarHBondContact O-CG2 3.41Å; R25-T28 PolarHBondContact O-N 3.33Å; R25-T28 PolarHBondContact O-OG1 3.35Å; P26-T28 VanDerWaalsContact C-N 3.32Å; T28-A30 VanDerWaalsContact C-N 3.28Å; T28-A30 PolarHBondContact O-N 2.86Å; T28-A31 WeakPolarHBondContact O-CB 3.35Å; T28-A31 PolarHBondContact O-N 2.89Å; T28-A31 VanDerWaalsContact OG1-CB 3.28Å; T28-A31 WeakPolarHBondContact OG1-CB 3.06Å; T28-A31 PolarHBondContact OG1-N 2.93Å; T28-K32 PolarHBondContact O-N 3.33Å
29E91.3Very high91.1Very high138 Ų13874.9 Ų74.965%0.64539%0.388SS*.Hα-helixtrans-60.2-39.2179.2-167.854.6-145.200112.3A31 K32 R33E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3.26Å; E29-K32 PolarHBondContact O-N 3.05Å; E29-R33 WeakPolarHBondContact O-CB 3.31Å; E29-R33 PolarHBondContact O-N 3.43Å
30A92.2Very high90.8Very high48 Ų4884.7 Ų84.740%0.39742%0.424SS..Hα-helixtrans-60.6-39.3174.200000112.3N24 T28 M34N24-A30 WeakPolarHBondContact ND2-CB 3.15Å; T28-A30 VanDerWaalsContact C-N 3.28Å; T28-A30 PolarHBondContact O-N 2.86Å; A30-M34 WeakPolarHBondContact O-CG 3.17Å; A30-M34 PolarHBondContact O-N 3.33Å; A30-M34 VanDerWaalsContact O-N 3.08Å
31A92.1Very high90.6Very high1 Ų185.2 Ų85.21%0.00843%0.426CS..Hα-helixtrans-69.4-40.8176.200000112.1N24 R25 T28 E29 M34 N35N24-A31 HydrophobicContact CB-CB 4.08Å; R25-A31 WeakPolarHBondContact O-CB 3.28Å; T28-A31 WeakPolarHBondContact O-CB 3.35Å; T28-A31 PolarHBondContact O-N 2.89Å; T28-A31 VanDerWaalsContact OG1-CB 3.28Å; T28-A31 WeakPolarHBondContact OG1-CB 3.06Å; T28-A31 PolarHBondContact OG1-N 2.93Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3.26Å; A31-M34 PolarHBondContact O-N 3.23Å; A31-N35 WeakPolarHBondContact O-CB 3.41Å; A31-N35 PolarHBondContact O-N 3.1Å
32K91Very high90.5Very high113 Ų11392.3 Ų92.349%0.49146%0.458SS..Hα-helixtrans-61.1-43.7174.4-67.5177.8-176.8176.40111.7T28 E29 M34 N35 P36T28-K32 PolarHBondContact O-N 3.33Å; E29-K32 PolarHBondContact O-N 3.05Å; K32-M34 PolarHBondContact O-N 3.08Å; K32-N35 CarbonylContact O-C 3.54Å; K32-N35 PolarHBondContact O-N 3.32Å; K32-P36 WeakPolarHBondContact O-CA 3.41Å
33R92.3Very high90.2Very high219 Ų21998 Ų9883%0.82648%0.476SS*.Hα-helixtrans-62.8-39175.7-174.4176.1176.1173.30.3112.7E29E29-R33 WeakPolarHBondContact O-CB 3.31Å; E29-R33 PolarHBondContact O-N 3.43Å
34M91.6Very high90.1Very high84 Ų8497.9 Ų97.941%0.41448%0.475SS..Hα-helixtrans-73.2-36.3177.1-75.8-169.2-69.700113N24 A30 A31 K32 P36 R41N24-M34 HydrophobicContact CB-CE 4.1Å; N24-M34 WeakPolarHBondContact ND2-CE 3.39Å; A30-M34 WeakPolarHBondContact O-CG 3.17Å; A30-M34 PolarHBondContact O-N 3.33Å; A30-M34 VanDerWaalsContact O-N 3.08Å; A31-M34 PolarHBondContact O-N 3.23Å; K32-M34 PolarHBondContact O-N 3.08Å; M34-P36 WeakPolarHBondContact O-CD 3.42Å; M34-R41 PolarHBondContact O-NH2 2.87Å
35N91.6Very high90.1Very high33 Ų33103.6 Ų103.618%0.17650%0.497CS..SBendtrans-12267.2-176.8-64.1-36.9000110.5Y19 R20 A31 K32Y19-N35 HydrophobicContact CD2-CB 4.31Å; Y19-N35 HydrophobicContact CE2-CB 3.72Å; Y19-N35 WeakPolarHBondContact CE2-ND2 3.48Å; Y19-N35 VanDerWaalsContact CZ-ND2 3.33Å; Y19-N35 PolarHBondContact OH-ND2 3.12Å; R20-N35 PolarHBondContact O-ND2 2.91Å; A31-N35 WeakPolarHBondContact O-CB 3.41Å; A31-N35 PolarHBondContact O-N 3.1Å; K32-N35 CarbonylContact O-C 3.54Å; K32-N35 PolarHBondContact O-N 3.32Å
36P90.9Very high90.1Very high55 Ų55101.1 Ų101.136%0.35749%0.493SS..  trans-66.1151.217727.2-33.3000110.5K32 M34 K39K32-P36 WeakPolarHBondContact O-CA 3.41Å; M34-P36 WeakPolarHBondContact O-CD 3.42Å; P36-K39 HydrophobicContact CG-CB 4.04Å; P36-K39 HydrophobicContact CG-CD 3.98Å; P36-K39 WeakPolarHBondContact O-CB 3.43Å; P36-K39 PolarHBondContact O-N 3.34Å
37P87.4Confident90.2Very high134 Ų134105.4 Ų105.487%0.8751%0.511SS*.THydrogen-bonded Turntrans-51.7141.1174.5-25.234.3000111.8K39P37-K39 VanDerWaalsContact C-N 3.27Å; P37-K39 PolarHBondContact O-N 3.15Å
38G86.8Confident90.5Very high75 Ų75107.3 Ų107.377%0.77353%0.534SS*.THydrogen-bonded Turntrans82.8-15.3-179.300000115.7R40G38-R40 PolarHBondContact O-N 3.22Å; G38-R40 VanDerWaalsContact O-N 3.1Å
39K87.9Confident90.6Very high117 Ų117108.1 Ų108.151%0.50954%0.536SS..  trans-71107.4177.4-171.7171.5-168.8167.50111.5P36 P37 R41P36-K39 HydrophobicContact CG-CB 4.04Å; P36-K39 HydrophobicContact CG-CD 3.98Å; P36-K39 WeakPolarHBondContact O-CB 3.43Å; P36-K39 PolarHBondContact O-N 3.34Å; P37-K39 VanDerWaalsContact C-N 3.27Å; P37-K39 PolarHBondContact O-N 3.15Å; K39-R41 HydrophobicContact CG-CG 4.48Å
40R85.3Confident90.7Very high236 Ų236107.2 Ų107.289%0.89153%0.532SS*.  trans-89.5137.2174.4-62.7-177.1-179.9-174.5-0.2110.7G38G38-R40 PolarHBondContact O-N 3.22Å; G38-R40 VanDerWaalsContact O-N 3.1Å
41R87.8Confident90.6Very high95 Ų95107.5 Ų107.536%0.35854%0.535SS..  trans-135.8156.3175.1-59.2-173.5-170.4-152.58.1108.8M34 K39 K43M34-R41 PolarHBondContact O-NH2 2.87Å; K39-R41 HydrophobicContact CG-CG 4.48Å; R41-K43 PolarHBondContact O-N 3.37Å
42K91Very high90.5Very high188 Ų188113.2 Ų113.282%0.81756%0.561SS**PPolyproline II helixtrans-57.1132.5168.9-65.7-173.9178.8-176.70109.8R20R20-K42 PolarHBondContact NH2-O 3.01Å
43K88.7Confident90.6Very high145 Ų145112 Ų11263%0.6356%0.56SS**PPolyproline II helixtrans-61.3137.1176.2-171.1175.3179.9-178.20109.2R41R41-K43 PolarHBondContact O-N 3.37Å
44V90.9Very high90.7Very high54 Ų54102.1 Ų102.133%0.32752%0.523SS..PPolyproline II helixtrans-87.3118.1171-179.60000106.2V46V44-V46 HydrophobicContact CG1-CG2 4.25Å
45F92.3Very high90.8Very high182 Ų18299 Ų9980%0.79851%0.51SS*.PPolyproline II helixtrans-75.3132.6172.5-66-84.6000108.8
46V93.1Very high91Very high52 Ų5297.7 Ų97.732%0.31550%0.503SS..  trans-130137.1-178.5-179.10000105.7V44 N84V44-V46 HydrophobicContact CG1-CG2 4.25Å; V46-N84 HydrophobicContact CG1-CB 4.15Å; V46-N84 VanDerWaalsContact CG1-CG 3.47Å; V46-N84 VanDerWaalsContact CG1-ND2 3.33Å; V46-N84 WeakPolarHBondContact CG1-ND2 3.49Å
47E92.2Very high91.2Very high117 Ų11797.7 Ų97.755%0.54750%0.5SS..  trans-58.4125.5175.4-70163.3-164.600109.1I49 N84E47-I49 PolarHBondContact O-N 2.84Å; E47-N84 PolarHBondContact O-ND2 2.89Å
48P93.3Very high91.6Very high124 Ų12496 Ų9681%0.80548%0.479SS*.  trans-68.9120.6176.428.6-31.8000108.4
49I93.1Very high92Very high60 Ų6093.2 Ų93.231%0.30845%0.45SS..  trans-120.5124.6173-58.4176.6000106.3E47 W54 N84 L117E47-I49 PolarHBondContact O-N 2.84Å; I49-W54 HydrophobicContact CB-CE3 4.31Å; I49-W54 HydrophobicContact CD1-CE3 4.26Å; I49-W54 HydrophobicContact CD1-CZ3 4.04Å; I49-W54 HydrophobicContact CG2-CE3 4.02Å; I49-N84 WeakPolarHBondContact CD1-ND2 3.45Å; I49-L117 HydrophobicContact CD1-CD2 3.67Å
50E93.4Very high92.4Very high119 Ų11988.1 Ų88.156%0.55643%0.428SS*.  trans-65.8156.8178.9-72.1-54.4143.900111.9E52 D53 W54E50-E52 PolarHBondContact O-N 3.26Å; E50-D53 PolarHBondContact O-N 2.86Å; E50-W54 PolarHBondContact O-N 3.26Å
51A90.7Very high92.9Very high55 Ų5581.2 Ų81.246%0.45541%0.407SS..THydrogen-bonded Turntrans-63.4-33.7-17400000112R81A51-R81 VanDerWaalsContact C-NH2 3.33Å; A51-R81 PolarHBondContact O-NH2 2.91Å
52E90.5Very high93.4Very high121 Ų12176.7 Ų76.757%0.56539%0.39SS*.THydrogen-bonded Turntrans-72.3-38.2179.5-80.5109.4-133.300114E50 W54 R143E50-E52 PolarHBondContact O-N 3.26Å; E52-W54 VanDerWaalsContact C-N 3.29Å; E52-W54 PolarHBondContact O-N 3.18Å; E52-R143 VanDerWaalsContact CB-NH1 3.35Å; E52-R143 PolarHBondContact O-NH2 2.84Å
53D91.9Very high93.7Very high88 Ų8869.2 Ų69.247%0.47136%0.358SS..THydrogen-bonded Turntrans-83.7-11.2-171.4-63.7-25.1000113.1E50 A55 W135 R143E50-D53 PolarHBondContact O-N 2.86Å; D53-A55 PolarHBondContact O-N 3.34Å; D53-W135 PolarHBondContact O-NE1 2.88Å; D53-W135 VanDerWaalsContact O-NE1 3.16Å; D53-R143 IonicContact OD1-NH2 2.79Å; D53-R143 PolarHBondContact OD1-NH2 2.66Å; D53-R143 VanDerWaalsContact OD1-NH2 3.15Å
54W94.6Very high94.1Very high11 Ų1162.4 Ų62.44%0.04233%0.329CS..  trans-63105179.2-173.8-82000112.5I49 E50 E52 I56 V79 N84 V86 L117I49-W54 HydrophobicContact CB-CE3 4.31Å; I49-W54 HydrophobicContact CD1-CE3 4.26Å; I49-W54 HydrophobicContact CD1-CZ3 4.04Å; I49-W54 HydrophobicContact CG2-CE3 4.02Å; E50-W54 PolarHBondContact O-N 3.26Å; E52-W54 VanDerWaalsContact C-N 3.29Å; E52-W54 PolarHBondContact O-N 3.18Å; W54-I56 PolarHBondContact NE1-O 3.42Å; W54-V79 HydrophobicContact CH2-CG1 4.34Å; W54-V79 HydrophobicContact CZ2-CG1 3.36Å; W54-N84 HydrophobicContact CH2-CB 4.24Å; W54-N84 HydrophobicContact CZ3-CB 4.13Å; W54-V86 HydrophobicContact CZ2-CG1 4.47Å; W54-L117 HydrophobicContact CE3-CD2 4.18Å; W54-L117 HydrophobicContact CH2-CB 4.32Å; W54-L117 HydrophobicContact CH2-CD1 3.85Å; W54-L117 HydrophobicContact CH2-CD2 3.91Å; W54-L117 HydrophobicContact CH2-CG 4.27Å; W54-L117 HydrophobicContact CZ2-CD1 3.73Å; W54-L117 HydrophobicContact CZ2-CD2 4.37Å; W54-L117 HydrophobicContact CZ3-CD2 3.83Å
55A93.3Very high94.4Very high17 Ų1763.3 Ų63.314%0.1433%0.331CS..  trans-86-27.6-169.600000115.5D53 I133 R145D53-A55 PolarHBondContact O-N 3.34Å; A55-I133 HydrophobicContact CB-CB 4.42Å; A55-I133 HydrophobicContact CB-CD1 3.73Å; A55-I133 HydrophobicContact CB-CG2 4.42Å; A55-R145 WeakPolarHBondContact O-CD 3.43Å; A55-R145 PolarHBondContact O-NH1 3.44Å
56I95.6Very high94.6Very high6 Ų656.5 Ų56.53%0.03131%0.309CS..  trans-98.3118.5-171.5-56-170.4000111.9W54 V62 V76 V86 L117 V120 L122W54-I56 PolarHBondContact NE1-O 3.42Å; I56-V62 HydrophobicContact CD1-CG1 4.13Å; I56-V62 HydrophobicContact CG2-CG1 3.95Å; I56-V76 HydrophobicContact CG2-CG2 3.79Å; I56-V86 HydrophobicContact CG2-CG1 4.39Å; I56-L117 HydrophobicContact CB-CD1 3.89Å; I56-L117 HydrophobicContact CD1-CD1 3.58Å; I56-L117 HydrophobicContact CD1-CG 4.49Å; I56-L117 HydrophobicContact CG1-CD1 3.78Å; I56-V120 HydrophobicContact CD1-CB 4.5Å; I56-V120 HydrophobicContact CD1-CG1 4.07Å; I56-L122 HydrophobicContact CG1-CG 4.21Å
57L95.2Very high94.6Very high56 Ų5656.6 Ų56.629%0.29332%0.32SS..  trans-105.4163.5-178.5-59.4176000111.6G59 D60 K156 P157L57-G59 PolarHBondContact O-N 2.9Å; L57-D60 WeakPolarHBondContact CA-OD2 3.35Å; L57-D60 WeakPolarHBondContact CB-OD2 3.3Å; L57-D60 PolarHBondContact N-OD2 3.15Å; L57-D60 PolarHBondContact O-N 2.7Å; L57-K156 HydrophobicContact CD1-CB 4.39Å; L57-K156 HydrophobicContact CD1-CD 4.45Å; L57-K156 HydrophobicContact CD1-CG 3.96Å; L57-P157 HydrophobicContact CB-CG 4.15Å
58K95.7Very high94.7Very high99 Ų9958.3 Ų58.343%0.4333%0.326SS..THydrogen-bonded Turntrans-59.7135.3169.3176175.1174.8-159.90108.3I77 P157 V159K58-I77 WeakPolarHBondContact CD-O 3.46Å; K58-I77 WeakPolarHBondContact CE-O 3.22Å; K58-I77 VanDerWaalsContact CG-O 3.31Å; K58-I77 WeakPolarHBondContact CG-O 3.33Å; K58-P157 WeakPolarHBondContact O-CG 3.19Å; K58-V159 HydrophobicContact CB-CG1 4.44Å; K58-V159 HydrophobicContact CB-CG2 4.38Å; K58-V159 HydrophobicContact CD-CG1 3.68Å; K58-V159 HydrophobicContact CG-CG1 3.93Å; K58-V159 HydrophobicContact CG-CG2 4.42Å; K58-V159 WeakPolarHBondContact O-CG2 2.87Å
59G95.8Very high94.8Very high16 Ų1653.2 Ų53.217%0.16529%0.292CS..THydrogen-bonded Turntrans90.5-9.4178.700000115.2L57 V76L57-G59 PolarHBondContact O-N 2.9Å; G59-V76 PolarHBondContact N-O 2.82Å
60D96.6Very high95Very high9 Ų957.6 Ų57.65%0.04831%0.309CS..  trans-68.1153.1173.4-76.1-36000111.8L57 K75 V76 L122 R145 P157L57-D60 WeakPolarHBondContact CA-OD2 3.35Å; L57-D60 WeakPolarHBondContact CB-OD2 3.3Å; L57-D60 PolarHBondContact N-OD2 3.15Å; L57-D60 PolarHBondContact O-N 2.7Å; D60-K75 WeakPolarHBondContact O-CA 3.39Å; D60-V76 HydrophobicContact CB-CG2 4.48Å; D60-V76 PolarHBondContact O-N 3.16Å; D60-L122 HydrophobicContact CB-CD2 3.51Å; D60-R145 IonicContact OD1-CZ 2.69Å; D60-R145 IonicContact OD1-NH1 3.6Å; D60-R145 IonicContact OD1-NH2 3.15Å; D60-R145 PolarHBondContact OD1-NH2 3.05Å; D60-R145 IonicContact OD2-CZ 2.87Å; D60-R145 IonicContact OD2-NH1 2.93Å; D60-R145 PolarHBondContact OD2-NH1 3.44Å; D60-R145 IonicContact OD2-NH2 3.7Å; D60-P157 WeakPolarHBondContact OD1-CD 3.09Å; D60-P157 WeakPolarHBondContact OD1-CG 3.46Å
61M95.9Very high95.1Very high92 Ų9254 Ų5445%0.45330%0.303SS..EExtended strand (participates in β ladder)trans-91.4127.5169-72.1-64.5-70.400109.9K75 V123M61-K75 HydrophobicContact SD-CB 3.91Å; M61-K75 HydrophobicContact SD-CG 4.46Å; M61-V123 HydrophobicContact CB-CB 4.47Å; M61-V123 PolarHBondContact O-N 3.19Å; M61-V123 VanDerWaalsContact O-N 3.08Å
62V97.4Very high95.4Very high0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-136.1156.4-176.5-64.80000111.3I56 Q73 G74 V76 L88 V120 A121 L122I56-V62 HydrophobicContact CD1-CG1 4.13Å; I56-V62 HydrophobicContact CG2-CG1 3.95Å; V62-Q73 CarbonylContact O-C 3.57Å; V62-Q73 VanDerWaalsContact O-CA 3.25Å; V62-Q73 WeakPolarHBondContact O-CA 3.46Å; V62-G74 WeakPolarHBondContact CG2-O 3.23Å; V62-G74 PolarHBondContact N-O 2.97Å; V62-G74 PolarHBondContact O-N 3.32Å; V62-V76 HydrophobicContact CB-CG2 4.43Å; V62-V76 HydrophobicContact CG1-CG2 3.81Å; V62-V76 HydrophobicContact CG2-CG2 3.68Å; V62-L88 HydrophobicContact CG2-CD1 3.8Å; V62-L88 HydrophobicContact CG2-CD2 3.24Å; V62-L88 HydrophobicContact CG2-CG 4.16Å; V62-V120 HydrophobicContact CB-CG1 3.35Å; V62-V120 HydrophobicContact CG1-CG1 3.81Å; V62-V120 HydrophobicContact CG2-CG1 3.46Å; V62-V120 VanDerWaalsContact CG2-CG1 3.46Å; V62-A121 CarbonylContact C-O 3.11Å; V62-A121 WeakPolarHBondContact CA-O 3.45Å; V62-A121 VanDerWaalsContact CB-O 3.28Å; V62-A121 WeakPolarHBondContact CB-O 3.39Å; V62-L122 HydrophobicContact CG1-CD2 3.66Å; V62-L122 HydrophobicContact CG1-CG 4.4Å
63E97.3Very high95.7Very high31 Ų3154.1 Ų54.115%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-111.9140.8175.4-167172.713000110.8Q73 V120 A121 V123 P130E63-Q73 HydrophobicContact CB-CG 3.97Å; E63-Q73 HydrophobicContact CG-CG 3.91Å; E63-Q73 PolarHBondContact OE2-NE2 2.8Å; E63-V120 WeakPolarHBondContact O-CA 3.47Å; E63-A121 PolarHBondContact N-O 3.15Å; E63-A121 PolarHBondContact O-N 3.1Å; E63-V123 HydrophobicContact CB-CG2 3.87Å; E63-P130 HydrophobicContact CB-CB 4.23Å; E63-P130 WeakPolarHBondContact OE2-CD 3.42Å
64I97.9Very high95.9Very high2 Ų250.3 Ų50.31%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-81.8120.1176.9-59.5175000109.7A66 D69 G71 K72 L88 L91 L115I64-A66 WeakPolarHBondContact CG2-O 3.34Å; I64-D69 HydrophobicContact CD1-CB 3.78Å; I64-G71 PolarHBondContact O-N 3.38Å; I64-K72 PolarHBondContact N-O 2.8Å; I64-K72 VanDerWaalsContact N-O 3.08Å; I64-L88 HydrophobicContact CD1-CD1 3.91Å; I64-L88 HydrophobicContact CG1-CD1 3.59Å; I64-L91 HydrophobicContact CD1-CB 3.9Å; I64-L91 HydrophobicContact CD1-CD1 3.93Å; I64-L91 HydrophobicContact CD1-CG 4.49Å; I64-L115 HydrophobicContact CD1-CD1 3.85Å; I64-L115 HydrophobicContact CG1-CD1 3.85Å; I64-L115 HydrophobicContact CG2-CD1 4.37Å
65L97.1Very high96Very high72 Ų7254.6 Ų54.638%0.37729%0.293SS..  trans-84.9-31.8178.1-59.1179.8000112.7K70 D119 A121 P130L65-K70 WeakPolarHBondContact O-CD 3.34Å; L65-K70 WeakPolarHBondContact O-CE 3.27Å; L65-K70 WeakPolarHBondContact O-CG 3.33Å; L65-D119 PolarHBondContact N-O 3.45Å; L65-A121 HydrophobicContact CD1-CB 4.09Å; L65-A121 HydrophobicContact CD2-CB 4Å; L65-A121 HydrophobicContact CG-CB 4.16Å; L65-P130 HydrophobicContact CD2-CB 4.47Å
66A95.7Very high96.2Very high39 Ų3953.8 Ų53.832%0.32229%0.287SS..SBendtrans-142.3147.5-176.100000112.3I64 D119I64-A66 WeakPolarHBondContact CG2-O 3.34Å; A66-D119 HydrophobicContact CB-CB 4.35Å
67G94.1Very high96.3Very high55 Ų5556.7 Ų56.757%0.56730%0.301SS*.SBendtrans114.2-167.8178.700000113.5D69 K70G67-D69 VanDerWaalsContact C-N 3.31Å; G67-D69 PolarHBondContact O-N 3.26Å; G67-K70 PolarHBondContact O-N 2.93Å
68K93.4Very high96.3Very high153 Ų15357.2 Ų57.267%0.66530%0.302SS*.THydrogen-bonded Turntrans-60.4-38.1-173.9-178.9-176.2172.5-169.30113.2
69D95.8Very high96.3Very high16 Ų1654.3 Ų54.39%0.08629%0.293CS..THydrogen-bonded Turntrans-106.632.8-173.8-73.2-48.8000112.5I64 G67 G71 K72 N92I64-D69 HydrophobicContact CD1-CB 3.78Å; G67-D69 VanDerWaalsContact C-N 3.31Å; G67-D69 PolarHBondContact O-N 3.26Å; D69-G71 PolarHBondContact O-N 2.52Å; D69-K72 HydrophobicContact CB-CD 4.05Å; D69-K72 WeakPolarHBondContact O-CB 3.5Å; D69-K72 PolarHBondContact O-N 3.27Å; D69-K72 IonicContact OD1-NZ 2.75Å; D69-K72 PolarHBondContact OD1-NZ 2.87Å; D69-N92 WeakPolarHBondContact OD2-CA 3.4Å; D69-N92 PolarHBondContact OD2-N 2.73Å
70K96.6Very high96.3Very high152 Ų15254.9 Ų54.966%0.66129%0.291SS*.THydrogen-bonded Turntrans-53.4136.3179.9178.8174.9179.3176.80112.2L65 G67 K72L65-K70 WeakPolarHBondContact O-CD 3.34Å; L65-K70 WeakPolarHBondContact O-CE 3.27Å; L65-K70 WeakPolarHBondContact O-CG 3.33Å; G67-K70 PolarHBondContact O-N 2.93Å; K70-K72 PolarHBondContact O-N 2.81Å
71G96.1Very high96.2Very high43 Ų4360.3 Ų60.344%0.44331%0.311SS..THydrogen-bonded Turntrans80.9-6.6179.600000114.5I64 D69I64-G71 PolarHBondContact O-N 3.38Å; D69-G71 PolarHBondContact O-N 2.52Å
72K97.1Very high96Very high107 Ų10763.6 Ų63.647%0.46532%0.318SS..  trans-81.2144.8172.6-62.6-175.9-173.1165.10110.5I64 D69 K70 L91I64-K72 PolarHBondContact N-O 2.8Å; I64-K72 VanDerWaalsContact N-O 3.08Å; D69-K72 HydrophobicContact CB-CD 4.05Å; D69-K72 WeakPolarHBondContact O-CB 3.5Å; D69-K72 PolarHBondContact O-N 3.27Å; D69-K72 IonicContact OD1-NZ 2.75Å; D69-K72 PolarHBondContact OD1-NZ 2.87Å; K70-K72 PolarHBondContact O-N 2.81Å; K72-L91 HydrophobicContact CB-CD1 4.1Å; K72-L91 HydrophobicContact CB-CD2 3.95Å; K72-L91 HydrophobicContact CD-CD2 3.8Å
73Q97.1Very high95.9Very high73 Ų7366 Ų6634%0.34133%0.327SS..EExtended strand (participates in β ladder)trans-104140.9176.8-63.1-179.8-3.900110.3V62 E63 V123 R128V62-Q73 CarbonylContact O-C 3.57Å; V62-Q73 VanDerWaalsContact O-CA 3.25Å; V62-Q73 WeakPolarHBondContact O-CA 3.46Å; E63-Q73 HydrophobicContact CB-CG 3.97Å; E63-Q73 HydrophobicContact CG-CG 3.91Å; E63-Q73 PolarHBondContact OE2-NE2 2.8Å; Q73-V123 HydrophobicContact CG-CG2 3.93Å; Q73-R128 PolarHBondContact NE2-O 3.22Å
74G96.2Very high95.8Very high7 Ų765.1 Ų65.17%0.07232%0.324CS..EExtended strand (participates in β ladder)trans-154.4161.9179.500000112.3V62V62-G74 WeakPolarHBondContact CG2-O 3.23Å; V62-G74 PolarHBondContact N-O 2.97Å; V62-G74 PolarHBondContact O-N 3.32Å
75K96.9Very high95.8Very high101 Ų10167 Ų6744%0.43933%0.33SS..EExtended strand (participates in β ladder)trans-84.6139178.7-169.7175.5-179.1177.40110.6D60 M61 I77 L88 E89D60-K75 WeakPolarHBondContact O-CA 3.39Å; M61-K75 HydrophobicContact SD-CB 3.91Å; M61-K75 HydrophobicContact SD-CG 4.46Å; K75-I77 PolarHBondContact O-N 3.46Å; K75-L88 CarbonylContact O-C 3.58Å; K75-L88 WeakPolarHBondContact O-CA 3.33Å; K75-E89 HydrophobicContact CB-CB 4.49Å; K75-E89 PolarHBondContact O-N 2.68Å
76V97.7Very high95.8Very high1 Ų163.5 Ų63.51%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-75.8114.9175.7-178.20000110.1I56 G59 D60 V62 V79 V86 L88I56-V76 HydrophobicContact CG2-CG2 3.79Å; G59-V76 PolarHBondContact N-O 2.82Å; D60-V76 HydrophobicContact CB-CG2 4.48Å; D60-V76 PolarHBondContact O-N 3.16Å; V62-V76 HydrophobicContact CB-CG2 4.43Å; V62-V76 HydrophobicContact CG1-CG2 3.81Å; V62-V76 HydrophobicContact CG2-CG2 3.68Å; V76-V79 HydrophobicContact CG1-CG2 3.65Å; V76-V86 HydrophobicContact CG1-CB 4.48Å; V76-L88 HydrophobicContact CB-CD2 4.33Å; V76-L88 HydrophobicContact CG2-CD2 3.69Å
77I95.9Very high95.9Very high66 Ų6662.5 Ų62.534%0.33830%0.301SS..EExtended strand (participates in β ladder)trans-84.7-42.8177.1-62.5177.7000111K58 K75 I87 E89K58-I77 WeakPolarHBondContact CD-O 3.46Å; K58-I77 WeakPolarHBondContact CE-O 3.22Å; K58-I77 VanDerWaalsContact CG-O 3.31Å; K58-I77 WeakPolarHBondContact CG-O 3.33Å; K75-I77 PolarHBondContact O-N 3.46Å; I77-I87 PolarHBondContact N-O 3Å; I77-E89 VanDerWaalsContact CD1-CA 3.42Å; I77-E89 HydrophobicContact CD1-CB 3.58Å; I77-E89 HydrophobicContact CD1-CG 3.92Å; I77-E89 HydrophobicContact CG1-CB 3.8Å; I77-E89 HydrophobicContact CG1-CG 4.47Å
78Q95.2Very high96.1Very high67 Ų6760 Ų6031%0.31328%0.275SS..EExtended strand (participates in β ladder)trans-146.3143.2-172.9-167.8172.6-5.300111.7F80 V86 I87Q78-F80 HydrophobicContact CB-CE2 4.12Å; Q78-F80 HydrophobicContact CG-CD2 4.31Å; Q78-F80 HydrophobicContact CG-CE2 3.64Å; Q78-F80 HydrophobicContact CG-CZ 3.8Å; Q78-F80 VanDerWaalsContact NE2-CE1 3.3Å; Q78-V86 WeakPolarHBondContact O-CA 3.47Å; Q78-I87 HydrophobicContact CB-CB 4.41Å; Q78-I87 PolarHBondContact N-O 2.93Å; Q78-I87 PolarHBondContact O-N 3.39Å
79V96.1Very high96.2Very high38 Ų3858.1 Ų58.123%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-121.8136.7178.8-179.80000109.8W54 V76 R81 V86W54-V79 HydrophobicContact CH2-CG1 4.34Å; W54-V79 HydrophobicContact CZ2-CG1 3.36Å; V76-V79 HydrophobicContact CG1-CG2 3.65Å; V79-R81 HydrophobicContact CG1-CG 4.39Å; V79-V86 HydrophobicContact CG2-CG1 4.33Å
80F95.5Very high96.2Very high29 Ų2959.6 Ų59.613%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-124.290.4177.8-58.1-98.9000110.4T23 Q78 R82 R83 N84 W85 I87T23-F80 HydrophobicContact CG2-CZ 4.37Å; T23-F80 VanDerWaalsContact O-CE1 3.31Å; T23-F80 WeakPolarHBondContact O-CE1 3.35Å; T23-F80 WeakPolarHBondContact O-CZ 3.1Å; Q78-F80 HydrophobicContact CB-CE2 4.12Å; Q78-F80 HydrophobicContact CG-CD2 4.31Å; Q78-F80 HydrophobicContact CG-CE2 3.64Å; Q78-F80 HydrophobicContact CG-CZ 3.8Å; Q78-F80 VanDerWaalsContact NE2-CE1 3.3Å; F80-R82 VanDerWaalsContact C-N 3.28Å; F80-R82 PolarHBondContact O-N 2.68Å; F80-R83 PolarHBondContact O-N 2.77Å; F80-N84 PolarHBondContact O-N 3.5Å; F80-N84 VanDerWaalsContact O-N 3.11Å; F80-W85 HydrophobicContact CB-CB 4.07Å; F80-W85 HydrophobicContact CD2-CB 4.22Å; F80-W85 PolarHBondContact N-O 3.15Å; F80-W85 PolarHBondContact O-N 3.45Å; F80-W85 VanDerWaalsContact O-N 3.1Å; F80-I87 HydrophobicContact CE2-CD1 3.53Å; F80-I87 HydrophobicContact CE2-CG1 3.9Å; F80-I87 HydrophobicContact CZ-CD1 4.05Å
81R94.4Very high96.2Very high122 Ų12253.3 Ų53.346%0.4626%0.261SS..G310 helixtrans-59.3-34.4-177.2-53.3-171.280.1171.119.1113.8A51 V79 R83 N84A51-R81 VanDerWaalsContact C-NH2 3.33Å; A51-R81 PolarHBondContact O-NH2 2.91Å; V79-R81 HydrophobicContact CG1-CG 4.39Å; R81-R83 PolarHBondContact O-N 2.93Å; R81-R83 VanDerWaalsContact O-N 3.14Å; R81-N84 PolarHBondContact O-N 3.26Å; R81-N84 PolarHBondContact O-OD1 3.16Å; R81-N84 VanDerWaalsContact O-OD1 3.05Å
82R92.9Very high96.2Very high161 Ų16152.9 Ų52.961%0.60825%0.249SC*.G310 helixtrans-67-15.2-178.3-66.2-170.9178.9-127.412.9114.7Y21 F80Y21-R82 HydrophobicContact CD2-CB 4Å; Y21-R82 VanDerWaalsContact CD2-CD 3.42Å; Y21-R82 HydrophobicContact CD2-CG 4.38Å; Y21-R82 HydrophobicContact CG-CB 4.06Å; Y21-R82 PolarHBondContact OH-NH1 2.72Å; Y21-R82 PolarHBondContact OH-NH2 3.01Å; F80-R82 VanDerWaalsContact C-N 3.28Å; F80-R82 PolarHBondContact O-N 2.68Å
83R94.5Very high96.2Very high51 Ų5149 Ų4919%0.19223%0.234CC..G310 helixtrans-129.57-179.8-69.6-157.464.2177.8-3.7113.4Y21 F80 R81 W85Y21-R83 WeakPolarHBondContact O-CD 2.99Å; Y21-R83 PolarHBondContact O-NH1 3.47Å; Y21-R83 VanDerWaalsContact O-NH1 3.16Å; F80-R83 PolarHBondContact O-N 2.77Å; R81-R83 PolarHBondContact O-N 2.93Å; R81-R83 VanDerWaalsContact O-N 3.14Å; R83-W85 HydrophobicContact CB-CD2 3.7Å; R83-W85 HydrophobicContact CB-CE3 3.89Å; R83-W85 HydrophobicContact CB-CG 4Å; R83-W85 HydrophobicContact CG-CE3 4.45Å; R83-W85 PolarHBondContact O-N 3.01Å
84N96.6Very high96.1Very high13 Ų1349.9 Ų49.97%0.0724%0.238CC..THydrogen-bonded Turntrans49.941.4-172.1-56.6-9.4000112.6V46 E47 I49 W54 F80 R81 L116 L117V46-N84 HydrophobicContact CG1-CB 4.15Å; V46-N84 VanDerWaalsContact CG1-CG 3.47Å; V46-N84 VanDerWaalsContact CG1-ND2 3.33Å; V46-N84 WeakPolarHBondContact CG1-ND2 3.49Å; E47-N84 PolarHBondContact O-ND2 2.89Å; I49-N84 WeakPolarHBondContact CD1-ND2 3.45Å; W54-N84 HydrophobicContact CH2-CB 4.24Å; W54-N84 HydrophobicContact CZ3-CB 4.13Å; F80-N84 PolarHBondContact O-N 3.5Å; F80-N84 VanDerWaalsContact O-N 3.11Å; R81-N84 PolarHBondContact O-N 3.26Å; R81-N84 PolarHBondContact O-OD1 3.16Å; R81-N84 VanDerWaalsContact O-OD1 3.05Å; N84-L116 WeakPolarHBondContact O-CA 3.28Å; N84-L117 HydrophobicContact CB-CB 4.38Å; N84-L117 PolarHBondContact O-N 3.41Å
85W96.8Very high96.1Very high40 Ų4054.8 Ų54.815%0.15226%0.258CS..EExtended strand (participates in β ladder)trans-103.9147.1-179.5-70.4-26.2000113F80 R83 P114 L115F80-W85 HydrophobicContact CB-CB 4.07Å; F80-W85 HydrophobicContact CD2-CB 4.22Å; F80-W85 PolarHBondContact N-O 3.15Å; F80-W85 PolarHBondContact O-N 3.45Å; F80-W85 VanDerWaalsContact O-N 3.1Å; R83-W85 HydrophobicContact CB-CD2 3.7Å; R83-W85 HydrophobicContact CB-CE3 3.89Å; R83-W85 HydrophobicContact CB-CG 4Å; R83-W85 HydrophobicContact CG-CE3 4.45Å; R83-W85 PolarHBondContact O-N 3.01Å; W85-P114 HydrophobicContact CB-CB 3.84Å; W85-P114 HydrophobicContact CD2-CB 3.79Å; W85-P114 HydrophobicContact CD2-CG 4.03Å; W85-P114 HydrophobicContact CE3-CB 4Å; W85-P114 HydrophobicContact CE3-CG 4.01Å; W85-P114 HydrophobicContact CG-CB 3.78Å; W85-P114 HydrophobicContact CG-CG 4.5Å; W85-P114 HydrophobicContact CH2-CG 4.23Å; W85-P114 HydrophobicContact CZ2-CG 4.32Å; W85-P114 HydrophobicContact CZ3-CG 4.12Å; W85-L115 CarbonylContact C-O 3.59Å; W85-L115 WeakPolarHBondContact CA-O 3.15Å
86V97.4Very high96Very high0 Ų056.1 Ų56.10%026%0.26CS..EExtended strand (participates in β ladder)trans-129.1145.1170.8-63.50000109.7W54 I56 V76 Q78 V79 P114 L115 L117 V120W54-V86 HydrophobicContact CZ2-CG1 4.47Å; I56-V86 HydrophobicContact CG2-CG1 4.39Å; V76-V86 HydrophobicContact CG1-CB 4.48Å; Q78-V86 WeakPolarHBondContact O-CA 3.47Å; V79-V86 HydrophobicContact CG2-CG1 4.33Å; V86-P114 WeakPolarHBondContact O-CA 3.45Å; V86-L115 HydrophobicContact CG2-CB 4.21Å; V86-L115 PolarHBondContact N-O 3.21Å; V86-L115 PolarHBondContact O-N 2.75Å; V86-L117 HydrophobicContact CG1-CD1 4.22Å; V86-V120 HydrophobicContact CG2-CB 4.44Å; V86-V120 HydrophobicContact CG2-CG2 3.92Å
87I97.6Very high96Very high17 Ų1762.8 Ų62.89%0.08729%0.286CS..EExtended strand (participates in β ladder)trans-115.8129.3172.9-64-179000107.8T23 I77 Q78 F80 E112 P114T23-I87 HydrophobicContact CG2-CD1 4.15Å; I77-I87 PolarHBondContact N-O 3Å; Q78-I87 HydrophobicContact CB-CB 4.41Å; Q78-I87 PolarHBondContact N-O 2.93Å; Q78-I87 PolarHBondContact O-N 3.39Å; F80-I87 HydrophobicContact CE2-CD1 3.53Å; F80-I87 HydrophobicContact CE2-CG1 3.9Å; F80-I87 HydrophobicContact CZ-CD1 4.05Å; I87-E112 HydrophobicContact CG2-CB 3.54Å; I87-E112 HydrophobicContact CG2-CG 4.24Å; I87-P114 HydrophobicContact CG1-CB 4.18Å
88L97.6Very high95.9Very high2 Ų262.6 Ų62.61%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-104.6148.1-179.3-53.6-173.7000110.5V62 I64 K75 V76 G90 L91 E112 L115V62-L88 HydrophobicContact CG2-CD1 3.8Å; V62-L88 HydrophobicContact CG2-CD2 3.24Å; V62-L88 HydrophobicContact CG2-CG 4.16Å; I64-L88 HydrophobicContact CD1-CD1 3.91Å; I64-L88 HydrophobicContact CG1-CD1 3.59Å; K75-L88 CarbonylContact O-C 3.58Å; K75-L88 WeakPolarHBondContact O-CA 3.33Å; V76-L88 HydrophobicContact CB-CD2 4.33Å; V76-L88 HydrophobicContact CG2-CD2 3.69Å; L88-G90 PolarHBondContact O-N 2.75Å; L88-L91 HydrophobicContact CB-CB 4.14Å; L88-L91 HydrophobicContact CD1-CD1 4.37Å; L88-E112 WeakPolarHBondContact O-CG 3.48Å; L88-L115 HydrophobicContact CD1-CD1 3.93Å; L88-L115 HydrophobicContact CG-CD1 4.36Å
89E96.6Very high95.8Very high114 Ų11461.9 Ų61.953%0.53330%0.299SS..SBendtrans-66.5118.4179.1-173.8165.5-164.400112.2K75 I77 L91K75-E89 HydrophobicContact CB-CB 4.49Å; K75-E89 PolarHBondContact O-N 2.68Å; I77-E89 VanDerWaalsContact CD1-CA 3.42Å; I77-E89 HydrophobicContact CD1-CB 3.58Å; I77-E89 HydrophobicContact CD1-CG 3.92Å; I77-E89 HydrophobicContact CG1-CB 3.8Å; I77-E89 HydrophobicContact CG1-CG 4.47Å; E89-L91 PolarHBondContact O-N 3.45Å
90G95.8Very high95.8Very high48 Ų4868 Ų6850%0.49532%0.322SS..SBendtrans66.8-0.1174.100000116.3L88 T93L88-G90 PolarHBondContact O-N 2.75Å; G90-T93 WeakPolarHBondContact O-CG2 3.48Å
91L96.7Very high95.7Very high20 Ų2071.1 Ų71.111%0.10534%0.343CS..  trans-108.4157.5-178.3-61.6179.3000112I64 K72 L88 E89 T93I64-L91 HydrophobicContact CD1-CB 3.9Å; I64-L91 HydrophobicContact CD1-CD1 3.93Å; I64-L91 HydrophobicContact CD1-CG 4.49Å; K72-L91 HydrophobicContact CB-CD1 4.1Å; K72-L91 HydrophobicContact CB-CD2 3.95Å; K72-L91 HydrophobicContact CD-CD2 3.8Å; L88-L91 HydrophobicContact CB-CB 4.14Å; L88-L91 HydrophobicContact CD1-CD1 4.37Å; E89-L91 PolarHBondContact O-N 3.45Å; L91-T93 VanDerWaalsContact C-N 3.25Å; L91-T93 PolarHBondContact O-N 2.92Å
92N96.4Very high95.7Very high33 Ų3374.8 Ų74.818%0.17636%0.362CS..SBendtrans51.547-176-16939.9000111.8D69 A113 L115D69-N92 WeakPolarHBondContact OD2-CA 3.4Å; D69-N92 PolarHBondContact OD2-N 2.73Å; N92-A113 PolarHBondContact ND2-O 3.2Å; N92-A113 VanDerWaalsContact ND2-O 3.13Å; N92-A113 WeakPolarHBondContact O-CB 3.22Å; N92-A113 PolarHBondContact O-N 2.84Å; N92-L115 HydrophobicContact CB-CD1 4.14Å; N92-L115 HydrophobicContact CB-CD2 4.25Å; N92-L115 HydrophobicContact CB-CG 4.18Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.48Å; N92-L115 WeakPolarHBondContact ND2-CG 3.17Å
93T96.1Very high95.8Very high26 Ų2674.4 Ų74.416%0.1637%0.372CS..EExtended strand (participates in β ladder)trans-91.6145.5-174.954.10000112.2G90 L91 A110 S111 E112G90-T93 WeakPolarHBondContact O-CG2 3.48Å; L91-T93 VanDerWaalsContact C-N 3.25Å; L91-T93 PolarHBondContact O-N 2.92Å; T93-A110 HydrophobicContact CG2-CB 4.46Å; T93-S111 WeakPolarHBondContact CA-O 3.31Å; T93-E112 HydrophobicContact CG2-CG 4.04Å
94H95.7Very high95.9Very high92 Ų9277.8 Ų77.843%0.42639%0.386SS..EExtended strand (participates in β ladder)trans-122.2149.4165.665.1-75.3000108.6S111H94-S111 PolarHBondContact CE1-O 3.34Å; H94-S111 PolarHBondContact N-O 2.66Å; H94-S111 PolarHBondContact ND1-O 3.11Å; H94-S111 PolarHBondContact O-N 3.41Å
95F95.9Very high95.7Very high110 Ų11087.5 Ų87.548%0.48242%0.422SS..EExtended strand (participates in β ladder)trans-90.4141.3-179.8-61.9-83.2000111.5Y108 V109 A110F95-Y108 HydrophobicContact CB-CD1 4.3Å; F95-Y108 HydrophobicContact CB-CD2 4.28Å; F95-Y108 HydrophobicContact CB-CE1 3.51Å; F95-Y108 HydrophobicContact CB-CE2 3.5Å; F95-Y108 WeakPolarHBondContact CB-OH 3.25Å; F95-Y108 AromaticContact CD1-CD1 3.83Å; F95-Y108 HydrophobicContact CD1-CD1 3.83Å; F95-Y108 AromaticContact CD1-CE1 3.25Å; F95-Y108 HydrophobicContact CD1-CE1 3.25Å; F95-Y108 AromaticContact CD1-CZ 3.83Å; F95-Y108 HydrophobicContact CD2-CE1 4.08Å; F95-Y108 WeakPolarHBondContact CD2-OH 3.43Å; F95-Y108 HydrophobicContact CE1-CD1 4.49Å; F95-Y108 AromaticContact CE1-CE1 3.92Å; F95-Y108 HydrophobicContact CE1-CE1 3.92Å; F95-Y108 HydrophobicContact CG-CD1 4.27Å; F95-Y108 AromaticContact CG-CE1 3.35Å; F95-Y108 HydrophobicContact CG-CE1 3.35Å; F95-Y108 HydrophobicContact CG-CE2 4.29Å; F95-Y108 AromaticContact CG-CZ 3.4Å; F95-Y108 VanDerWaalsContact CG-OH 3.27Å; F95-Y108 WeakPolarHBondContact CG-OH 3.18Å; F95-V109 WeakPolarHBondContact CA-O 3.33Å; F95-A110 HydrophobicContact CD1-CB 3.96Å; F95-A110 HydrophobicContact CE1-CB 3.84Å
96R94.9Very high95.6Very high129 Ų12986 Ų8649%0.48742%0.419SS..EExtended strand (participates in β ladder)trans-144.3155.1174.766.3-175.1-178.8107.42111V98 V109 S111R96-V98 HydrophobicContact CG-CG2 4.33Å; R96-V109 PolarHBondContact N-O 2.74Å; R96-V109 PolarHBondContact O-N 3.29Å; R96-V109 VanDerWaalsContact O-O 3.12Å; R96-S111 VanDerWaalsContact NE-CB 3.31Å; R96-S111 PolarHBondContact NE-OG 3.34Å
97Y96.6Very high95.6Very high141 Ų14189.6 Ų89.655%0.55344%0.441SS*.EExtended strand (participates in β ladder)trans-84.6132.9172.7-67.4-85000110.7T107 Y108Y97-T107 CarbonylContact C-O 3.5Å; Y97-T107 VanDerWaalsContact CA-O 3.31Å; Y97-T107 WeakPolarHBondContact CA-O 3.28Å; Y97-Y108 HydrophobicContact CD1-CD2 4.23Å; Y97-Y108 HydrophobicContact CD2-CD2 4.34Å; Y97-Y108 AromaticContact CE1-CD2 3.74Å; Y97-Y108 HydrophobicContact CE1-CD2 3.74Å; Y97-Y108 HydrophobicContact CE1-CG 4.34Å; Y97-Y108 AromaticContact CE2-CD2 3.87Å; Y97-Y108 HydrophobicContact CE2-CD2 3.87Å; Y97-Y108 HydrophobicContact CE2-CE2 4.19Å; Y97-Y108 AromaticContact CZ-CD2 3.55Å
98V94.8Very high95.5Very high61 Ų6195 Ų9537%0.3746%0.461SS..EExtended strand (participates in β ladder)trans-117.9144.6177.5-177.30000109.3R96 G106 T107 V109R96-V98 HydrophobicContact CG-CG2 4.33Å; V98-G106 CarbonylContact O-C 3.55Å; V98-G106 VanDerWaalsContact O-CA 3.27Å; V98-G106 WeakPolarHBondContact O-CA 3.35Å; V98-T107 PolarHBondContact N-O 2.89Å; V98-T107 PolarHBondContact O-N 2.96Å; V98-V109 HydrophobicContact CB-CG2 4.47Å; V98-V109 HydrophobicContact CG2-CB 4.22Å; V98-V109 HydrophobicContact CG2-CG2 4.31Å
99G93.6Very high95.5Very high53 Ų5397.9 Ų97.955%0.54648%0.479SS..SBendtrans72.528178.200000114.5V101G99-V101 PolarHBondContact O-N 3.09Å
100K94.4Very high95.5Very high166 Ų16694.7 Ų94.772%0.72247%0.472SS*.  trans-65.2127.2177-176.6177.4179.1-179.70111
101V95.1Very high95.5Very high95 Ų9593.3 Ų93.358%0.57645%0.454SS*.  trans-122.9170.7173.6-174.30000108.1G99 D103 Y104G99-V101 PolarHBondContact O-N 3.09Å; V101-D103 VanDerWaalsContact C-N 3.25Å; V101-D103 PolarHBondContact O-N 3.16Å; V101-Y104 PolarHBondContact N-O 3.42Å; V101-Y104 CarbonylContact O-C 3.59Å; V101-Y104 PolarHBondContact O-N 3.05Å
102K94.3Very high95.5Very high198 Ų19895.8 Ų95.886%0.86147%0.465SS*.SBendtrans-52.6-43.7-179.5-168.7-178.8176.7-172.20112.4
103D95.4Very high95.5Very high153 Ų15395.3 Ų95.382%0.81847%0.466SS*.SBendtrans-99.6-5.2-174.9-50.2-44.2000113.6V101V101-D103 VanDerWaalsContact C-N 3.25Å; V101-D103 PolarHBondContact O-N 3.16Å
104Y95.4Very high95.5Very high122 Ų12295.8 Ų95.848%0.47847%0.47SS..  trans-127.9120.8179.8179.3-118.4000111.3V101 G106 T107V101-Y104 PolarHBondContact N-O 3.42Å; V101-Y104 CarbonylContact O-C 3.59Å; V101-Y104 PolarHBondContact O-N 3.05Å; Y104-G106 VanDerWaalsContact CE1-C 3.5Å; Y104-G106 PolarHBondContact O-N 2.81Å; Y104-T107 PolarHBondContact OH-N 3.31Å; Y104-T107 PolarHBondContact OH-OG1 3.08Å
105R92.4Very high95.6Very high217 Ų21792 Ų9282%0.81945%0.453SS*.  trans-63-16.9-177.2-69.1-175176.9-174.30.3113.9
106G95.3Very high95.6Very high9 Ų989.5 Ų89.59%0.09344%0.444CS..  trans97.5165.2-176.200000112.4V98 Y104V98-G106 CarbonylContact O-C 3.55Å; V98-G106 VanDerWaalsContact O-CA 3.27Å; V98-G106 WeakPolarHBondContact O-CA 3.35Å; Y104-G106 VanDerWaalsContact CE1-C 3.5Å; Y104-G106 PolarHBondContact O-N 2.81Å
107T97.1Very high95.6Very high76 Ų7684.9 Ų84.947%0.46643%0.429SS..EExtended strand (participates in β ladder)trans-87.3135.3175.3-46.80000110Y97 V98 Y104 V109Y97-T107 CarbonylContact C-O 3.5Å; Y97-T107 VanDerWaalsContact CA-O 3.31Å; Y97-T107 WeakPolarHBondContact CA-O 3.28Å; V98-T107 PolarHBondContact N-O 2.89Å; V98-T107 PolarHBondContact O-N 2.96Å; Y104-T107 PolarHBondContact OH-N 3.31Å; Y104-T107 PolarHBondContact OH-OG1 3.08Å; T107-V109 HydrophobicContact CG2-CG2 4.09Å; T107-V109 PolarHBondContact O-N 3.41Å
108Y96.3Very high95.5Very high131 Ų13186 Ų8651%0.51443%0.432SS..EExtended strand (participates in β ladder)trans-78.9116.1176.3-166.2-110.4000109.9F95 Y97F95-Y108 HydrophobicContact CB-CD1 4.3Å; F95-Y108 HydrophobicContact CB-CD2 4.28Å; F95-Y108 HydrophobicContact CB-CE1 3.51Å; F95-Y108 HydrophobicContact CB-CE2 3.5Å; F95-Y108 WeakPolarHBondContact CB-OH 3.25Å; F95-Y108 AromaticContact CD1-CD1 3.83Å; F95-Y108 HydrophobicContact CD1-CD1 3.83Å; F95-Y108 AromaticContact CD1-CE1 3.25Å; F95-Y108 HydrophobicContact CD1-CE1 3.25Å; F95-Y108 AromaticContact CD1-CZ 3.83Å; F95-Y108 HydrophobicContact CD2-CE1 4.08Å; F95-Y108 WeakPolarHBondContact CD2-OH 3.43Å; F95-Y108 HydrophobicContact CE1-CD1 4.49Å; F95-Y108 AromaticContact CE1-CE1 3.92Å; F95-Y108 HydrophobicContact CE1-CE1 3.92Å; F95-Y108 HydrophobicContact CG-CD1 4.27Å; F95-Y108 AromaticContact CG-CE1 3.35Å; F95-Y108 HydrophobicContact CG-CE1 3.35Å; F95-Y108 HydrophobicContact CG-CE2 4.29Å; F95-Y108 AromaticContact CG-CZ 3.4Å; F95-Y108 VanDerWaalsContact CG-OH 3.27Å; F95-Y108 WeakPolarHBondContact CG-OH 3.18Å; Y97-Y108 HydrophobicContact CD1-CD2 4.23Å; Y97-Y108 HydrophobicContact CD2-CD2 4.34Å; Y97-Y108 AromaticContact CE1-CD2 3.74Å; Y97-Y108 HydrophobicContact CE1-CD2 3.74Å; Y97-Y108 HydrophobicContact CE1-CG 4.34Å; Y97-Y108 AromaticContact CE2-CD2 3.87Å; Y97-Y108 HydrophobicContact CE2-CD2 3.87Å; Y97-Y108 HydrophobicContact CE2-CE2 4.19Å; Y97-Y108 AromaticContact CZ-CD2 3.55Å
109V96.8Very high95.6Very high62 Ų6285 Ų8538%0.37642%0.424SS..EExtended strand (participates in β ladder)trans-131138.1-173.6-1780000109.8F95 R96 V98 T107F95-V109 WeakPolarHBondContact CA-O 3.33Å; R96-V109 PolarHBondContact N-O 2.74Å; R96-V109 PolarHBondContact O-N 3.29Å; R96-V109 VanDerWaalsContact O-O 3.12Å; V98-V109 HydrophobicContact CB-CG2 4.47Å; V98-V109 HydrophobicContact CG2-CB 4.22Å; V98-V109 HydrophobicContact CG2-CG2 4.31Å; T107-V109 HydrophobicContact CG2-CG2 4.09Å; T107-V109 PolarHBondContact O-N 3.41Å
110A96.6Very high95.8Very high46 Ų4682.9 Ų82.938%0.3840%0.401SS..EExtended strand (participates in β ladder)trans-73.8129.9170.100000109.7T93 F95T93-A110 HydrophobicContact CG2-CB 4.46Å; F95-A110 HydrophobicContact CD1-CB 3.96Å; F95-A110 HydrophobicContact CE1-CB 3.84Å
111S95.9Very high95.9Very high19 Ų1975.7 Ų75.713%0.13337%0.372CS..EExtended strand (participates in β ladder)trans-121.9128.6178.5-164.70000109T93 H94 R96T93-S111 WeakPolarHBondContact CA-O 3.31Å; H94-S111 PolarHBondContact CE1-O 3.34Å; H94-S111 PolarHBondContact N-O 2.66Å; H94-S111 PolarHBondContact ND1-O 3.11Å; H94-S111 PolarHBondContact O-N 3.41Å; R96-S111 VanDerWaalsContact NE-CB 3.31Å; R96-S111 PolarHBondContact NE-OG 3.34Å
112E96.4Very high95.9Very high72 Ų7271.2 Ų71.234%0.33635%0.345SS..EExtended strand (participates in β ladder)trans-69.2141.1178.6-53.284.417200110.5I87 L88 T93I87-E112 HydrophobicContact CG2-CB 3.54Å; I87-E112 HydrophobicContact CG2-CG 4.24Å; L88-E112 WeakPolarHBondContact O-CG 3.48Å; T93-E112 HydrophobicContact CG2-CG 4.04Å
113A96.4Very high96Very high23 Ų2362.4 Ų62.419%0.1931%0.308CS..  trans-107.4144.8173.600000110.8N92N92-A113 PolarHBondContact ND2-O 3.2Å; N92-A113 VanDerWaalsContact ND2-O 3.13Å; N92-A113 WeakPolarHBondContact O-CB 3.22Å; N92-A113 PolarHBondContact O-N 2.84Å
114P97Very high96Very high36 Ų3655.1 Ų55.123%0.23427%0.269CS..  trans-66.6141.1178.428-34000111.6T23 W85 V86 I87T23-P114 HydrophobicContact CG2-CG 4.25Å; W85-P114 HydrophobicContact CB-CB 3.84Å; W85-P114 HydrophobicContact CD2-CB 3.79Å; W85-P114 HydrophobicContact CD2-CG 4.03Å; W85-P114 HydrophobicContact CE3-CB 4Å; W85-P114 HydrophobicContact CE3-CG 4.01Å; W85-P114 HydrophobicContact CG-CB 3.78Å; W85-P114 HydrophobicContact CG-CG 4.5Å; W85-P114 HydrophobicContact CH2-CG 4.23Å; W85-P114 HydrophobicContact CZ2-CG 4.32Å; W85-P114 HydrophobicContact CZ3-CG 4.12Å; V86-P114 WeakPolarHBondContact O-CA 3.45Å; I87-P114 HydrophobicContact CG1-CB 4.18Å
115L96.9Very high95.8Very high14 Ų1453.1 Ų53.17%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-106.2152.8168.7-69.5169.3000109.6I64 W85 V86 L88 N92 V120I64-L115 HydrophobicContact CD1-CD1 3.85Å; I64-L115 HydrophobicContact CG1-CD1 3.85Å; I64-L115 HydrophobicContact CG2-CD1 4.37Å; W85-L115 CarbonylContact C-O 3.59Å; W85-L115 WeakPolarHBondContact CA-O 3.15Å; V86-L115 HydrophobicContact CG2-CB 4.21Å; V86-L115 PolarHBondContact N-O 3.21Å; V86-L115 PolarHBondContact O-N 2.75Å; L88-L115 HydrophobicContact CD1-CD1 3.93Å; L88-L115 HydrophobicContact CG-CD1 4.36Å; N92-L115 HydrophobicContact CB-CD1 4.14Å; N92-L115 HydrophobicContact CB-CD2 4.25Å; N92-L115 HydrophobicContact CB-CG 4.18Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.48Å; N92-L115 WeakPolarHBondContact ND2-CG 3.17Å; L115-V120 HydrophobicContact CB-CG2 3.99Å; L115-V120 HydrophobicContact CD1-CG2 3.99Å
116L96.6Very high95.8Very high56 Ų5645.5 Ų45.529%0.29325%0.251SS..EExtended strand (participates in β ladder)trans-76151.3171-71162.3000110N84 R118 D119N84-L116 WeakPolarHBondContact O-CA 3.28Å; L116-R118 HydrophobicContact CB-CG 4.08Å; L116-R118 PolarHBondContact O-N 3.05Å; L116-D119 PolarHBondContact O-N 3.14Å
117L94.9Very high95.6Very high33 Ų3347.7 Ų47.717%0.17326%0.261CS..G310 helixtrans-55.7-37179.1-167.672.9000112.8I49 W54 I56 N84 V86 D119 V120I49-L117 HydrophobicContact CD1-CD2 3.67Å; W54-L117 HydrophobicContact CE3-CD2 4.18Å; W54-L117 HydrophobicContact CH2-CB 4.32Å; W54-L117 HydrophobicContact CH2-CD1 3.85Å; W54-L117 HydrophobicContact CH2-CD2 3.91Å; W54-L117 HydrophobicContact CH2-CG 4.27Å; W54-L117 HydrophobicContact CZ2-CD1 3.73Å; W54-L117 HydrophobicContact CZ2-CD2 4.37Å; W54-L117 HydrophobicContact CZ3-CD2 3.83Å; I56-L117 HydrophobicContact CB-CD1 3.89Å; I56-L117 HydrophobicContact CD1-CD1 3.58Å; I56-L117 HydrophobicContact CD1-CG 4.49Å; I56-L117 HydrophobicContact CG1-CD1 3.78Å; N84-L117 HydrophobicContact CB-CB 4.38Å; N84-L117 PolarHBondContact O-N 3.41Å; V86-L117 HydrophobicContact CG1-CD1 4.22Å; L117-D119 VanDerWaalsContact C-N 3.26Å; L117-D119 PolarHBondContact O-N 3.11Å; L117-V120 PolarHBondContact O-N 3.24Å
118R94.9Very high95.4Very high163 Ų16353.1 Ų53.162%0.61527%0.273SS*.G310 helixtrans-66.8-23.1179.171.5-174.6-176.9-174.32.1114.5L116 V120L116-R118 HydrophobicContact CB-CG 4.08Å; L116-R118 PolarHBondContact O-N 3.05Å; R118-V120 PolarHBondContact O-N 3.2Å
119D96.4Very high95.3Very high40 Ų4052.8 Ų52.821%0.21427%0.274CS..G310 helixtrans-88.77.6-177.2-59.1-35.2000111.4L65 A66 L116 L117L65-D119 PolarHBondContact N-O 3.45Å; A66-D119 HydrophobicContact CB-CB 4.35Å; L116-D119 PolarHBondContact O-N 3.14Å; L117-D119 VanDerWaalsContact C-N 3.26Å; L117-D119 PolarHBondContact O-N 3.11Å
120V97Very high95.3Very high9 Ų951.7 Ų51.76%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-138.7138.8-171.8179.40000109.7I56 V62 E63 V86 L115 L117 R118I56-V120 HydrophobicContact CD1-CB 4.5Å; I56-V120 HydrophobicContact CD1-CG1 4.07Å; V62-V120 HydrophobicContact CB-CG1 3.35Å; V62-V120 HydrophobicContact CG1-CG1 3.81Å; V62-V120 HydrophobicContact CG2-CG1 3.46Å; V62-V120 VanDerWaalsContact CG2-CG1 3.46Å; E63-V120 WeakPolarHBondContact O-CA 3.47Å; V86-V120 HydrophobicContact CG2-CB 4.44Å; V86-V120 HydrophobicContact CG2-CG2 3.92Å; L115-V120 HydrophobicContact CB-CG2 3.99Å; L115-V120 HydrophobicContact CD1-CG2 3.99Å; L117-V120 PolarHBondContact O-N 3.24Å; R118-V120 PolarHBondContact O-N 3.2Å
121A96.6Very high95.3Very high15 Ų1550 Ų5012%0.12425%0.253CS..EExtended strand (participates in β ladder)trans-123147.8174.500000111.3V62 E63 L65 P130V62-A121 CarbonylContact C-O 3.11Å; V62-A121 WeakPolarHBondContact CA-O 3.45Å; V62-A121 VanDerWaalsContact CB-O 3.28Å; V62-A121 WeakPolarHBondContact CB-O 3.39Å; E63-A121 PolarHBondContact N-O 3.15Å; E63-A121 PolarHBondContact O-N 3.1Å; L65-A121 HydrophobicContact CD1-CB 4.09Å; L65-A121 HydrophobicContact CD2-CB 4Å; L65-A121 HydrophobicContact CG-CB 4.16Å; A121-P130 HydrophobicContact CB-CB 3.78Å
122L96.4Very high95.2Very high2 Ų256.8 Ų56.81%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-67.7142.4170.1-78.5174.1000110.1I56 D60 V62 P130 T131 I133 I154I56-L122 HydrophobicContact CG1-CG 4.21Å; D60-L122 HydrophobicContact CB-CD2 3.51Å; V62-L122 HydrophobicContact CG1-CD2 3.66Å; V62-L122 HydrophobicContact CG1-CG 4.4Å; L122-P130 WeakPolarHBondContact O-CA 2.99Å; L122-T131 PolarHBondContact O-N 3.05Å; L122-T131 PolarHBondContact O-OG1 3.16Å; L122-I133 HydrophobicContact CB-CD1 3.74Å; L122-I133 HydrophobicContact CB-CG1 4.12Å; L122-I133 HydrophobicContact CD1-CD1 3.15Å; L122-I133 HydrophobicContact CD1-CG1 3.7Å; L122-I133 HydrophobicContact CG-CD1 3.56Å; L122-I133 HydrophobicContact CG-CG1 4.31Å; L122-I154 HydrophobicContact CB-CD1 4.48Å
123V95.6Very high95.2Very high13 Ų1355.4 Ų55.48%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-90.9127.6172.7176.40000108.1M61 E63 Q73 R128M61-V123 HydrophobicContact CB-CB 4.47Å; M61-V123 PolarHBondContact O-N 3.19Å; M61-V123 VanDerWaalsContact O-N 3.08Å; E63-V123 HydrophobicContact CB-CG2 3.87Å; Q73-V123 HydrophobicContact CG-CG2 3.93Å; V123-R128 HydrophobicContact CG1-CB 4.31Å
124D94.8Very high95.1Very high0 Ų058.2 Ų58.20%029%0.286CS..PPolyproline II helixtrans-72.1128.3174.4-178.2-26.5000109.5S126 D127 R128 K129 T131 S147 T150D124-S126 PolarHBondContact O-N 2.73Å; D124-S126 VanDerWaalsContact O-N 3.16Å; D124-S126 WeakPolarHBondContact OD1-CB 3.22Å; D124-S126 PolarHBondContact OD1-N 3.04Å; D124-S126 PolarHBondContact OD1-OG 2.95Å; D124-D127 WeakPolarHBondContact CB-OD1 3.47Å; D124-R128 VanDerWaalsContact O-CA 3.27Å; D124-R128 WeakPolarHBondContact O-CA 3.41Å; D124-R128 PolarHBondContact O-N 2.94Å; D124-K129 PolarHBondContact N-O 3.17Å; D124-T131 HydrophobicContact CB-CG2 3.71Å; D124-S147 VanDerWaalsContact OD2-CB 3.3Å; D124-S147 WeakPolarHBondContact OD2-CB 3.46Å; D124-S147 PolarHBondContact OD2-OG 3.48Å; D124-T150 WeakPolarHBondContact OD2-CB 3.1Å; D124-T150 WeakPolarHBondContact OD2-CG2 3.23Å; D124-T150 PolarHBondContact OD2-OG1 3.41Å
125P91Very high94.9Very high79 Ų7959.6 Ų59.651%0.51329%0.287SS..THydrogen-bonded Turntrans-63.4-19.6-177.826-35.6000113.8
126S92.1Very high94.9Very high58 Ų5863.4 Ų63.441%0.40630%0.303SS..THydrogen-bonded Turntrans-77.6-47.6-175.2-450000112.9D124 R152D124-S126 PolarHBondContact O-N 2.73Å; D124-S126 VanDerWaalsContact O-N 3.16Å; D124-S126 WeakPolarHBondContact OD1-CB 3.22Å; D124-S126 PolarHBondContact OD1-N 3.04Å; D124-S126 PolarHBondContact OD1-OG 2.95Å; S126-R152 WeakPolarHBondContact OG-CD 3.31Å
127D92.1Very high94.8Very high54 Ų5468.4 Ų68.429%0.28932%0.319SS..THydrogen-bonded Turntrans-120.8-0.8-170.6615.5000112.7D124 K129 R149D124-D127 WeakPolarHBondContact CB-OD1 3.47Å; D127-K129 HydrophobicContact CB-CG 4.41Å; D127-K129 WeakPolarHBondContact O-CG 3.34Å; D127-K129 PolarHBondContact O-N 3.42Å; D127-K129 VanDerWaalsContact O-N 3.16Å; D127-K129 PolarHBondContact OD1-N 3.22Å; D127-R149 IonicContact OD1-CZ 2.68Å; D127-R149 IonicContact OD1-NH2 3.01Å; D127-R149 PolarHBondContact OD1-NH2 2.93Å; D127-R149 IonicContact OD2-CZ 3.5Å; D127-R149 IonicContact OD2-NE 3.72Å; D127-R149 PolarHBondContact OD2-NE 3.18Å; D127-R149 IonicContact OD2-NH2 3.83Å; D127-R149 PolarHBondContact OD2-NH2 2.92Å
128R93.3Very high94.8Very high191 Ų19168.7 Ų68.772%0.72132%0.322SS*.  trans54.930.1175.2-57-178.1-178.8173.50.2114.1Q73 V123 D124Q73-R128 PolarHBondContact NE2-O 3.22Å; V123-R128 HydrophobicContact CG1-CB 4.31Å; D124-R128 VanDerWaalsContact O-CA 3.27Å; D124-R128 WeakPolarHBondContact O-CA 3.41Å; D124-R128 PolarHBondContact O-N 2.94Å
129K94.6Very high94.7Very high123 Ų12370.9 Ų70.954%0.53534%0.34SS..SBendtrans-114.7161.1172.5-16177163.4172.30111D124 D127 R149D124-K129 PolarHBondContact N-O 3.17Å; D127-K129 HydrophobicContact CB-CG 4.41Å; D127-K129 WeakPolarHBondContact O-CG 3.34Å; D127-K129 PolarHBondContact O-N 3.42Å; D127-K129 VanDerWaalsContact O-N 3.16Å; D127-K129 PolarHBondContact OD1-N 3.22Å; K129-R149 PolarHBondContact O-NH2 2.79Å
130P96.1Very high94.6Very high40 Ų4077 Ų7726%0.2637%0.367SS..EExtended strand (participates in β ladder)trans-67.3144.2-177.428.7-30.8000110.2E63 L65 A121 L122 R149E63-P130 HydrophobicContact CB-CB 4.23Å; E63-P130 WeakPolarHBondContact OE2-CD 3.42Å; L65-P130 HydrophobicContact CD2-CB 4.47Å; A121-P130 HydrophobicContact CB-CB 3.78Å; L122-P130 WeakPolarHBondContact O-CA 2.99Å; P130-R149 PolarHBondContact O-NH1 3.26Å
131T95.7Very high94.5Very high11 Ų1178.9 Ų78.97%0.06739%0.389CS..EExtended strand (participates in β ladder)trans-141.2152.5-178.355.20000111.7L122 D124 S147 R149L122-T131 PolarHBondContact O-N 3.05Å; L122-T131 PolarHBondContact O-OG1 3.16Å; D124-T131 HydrophobicContact CB-CG2 3.71Å; T131-S147 WeakPolarHBondContact CG2-OG 3.35Å; T131-R149 HydrophobicContact CG2-CB 3.85Å
132Q94.6Very high94.4Very high161 Ų16183.9 Ų83.975%0.75241%0.409SS*.  trans-82.5152.4165.2-69-177.5-12.100109.5S148Q132-S148 PolarHBondContact O-N 3.42Å; Q132-S148 PolarHBondContact O-OG 2.77Å
133I95.3Very high94.2Very high43 Ų4387 Ų8722%0.22142%0.421CS..EExtended strand (participates in β ladder)trans-119.8133.9-172.3-52132.1000108.8A55 L122 R145 V146A55-I133 HydrophobicContact CB-CB 4.42Å; A55-I133 HydrophobicContact CB-CD1 3.73Å; A55-I133 HydrophobicContact CB-CG2 4.42Å; L122-I133 HydrophobicContact CB-CD1 3.74Å; L122-I133 HydrophobicContact CB-CG1 4.12Å; L122-I133 HydrophobicContact CD1-CD1 3.15Å; L122-I133 HydrophobicContact CD1-CG1 3.7Å; L122-I133 HydrophobicContact CG-CD1 3.56Å; L122-I133 HydrophobicContact CG-CG1 4.31Å; I133-R145 HydrophobicContact CG2-CB 3.71Å; I133-R145 HydrophobicContact CG2-CG 4.17Å; I133-V146 WeakPolarHBondContact CA-O 3.12Å
134E94.4Very high94.2Very high82 Ų8287.5 Ų87.538%0.38342%0.424SS..EExtended strand (participates in β ladder)trans-111.6142.1168.7-74.8160.9-147.600109.6K136 V146 S148E134-K136 WeakPolarHBondContact OE2-CE 3.44Å; E134-K136 IonicContact OE2-NZ 2.59Å; E134-K136 PolarHBondContact OE2-NZ 2.98Å; E134-V146 PolarHBondContact N-O 2.89Å; E134-V146 PolarHBondContact O-N 3.21Å; E134-S148 VanDerWaalsContact CD-OG 3.28Å; E134-S148 WeakPolarHBondContact CG-OG 3.19Å; E134-S148 WeakPolarHBondContact OE1-CB 3.36Å; E134-S148 PolarHBondContact OE1-OG 3.02Å
135W94.7Very high94.2Very high64 Ų6487.7 Ų87.724%0.24243%0.425CS..EExtended strand (participates in β ladder)trans-85.2125.5168.8-71.8105.3000109.3D53 R143 R145D53-W135 PolarHBondContact O-NE1 2.88Å; D53-W135 VanDerWaalsContact O-NE1 3.16Å; W135-R143 HydrophobicContact CD2-CG 4.49Å; W135-R143 HydrophobicContact CE3-CG 3.64Å; W135-R143 VanDerWaalsContact CG-NH2 3.29Å; W135-R143 HydrophobicContact CZ3-CG 4.1Å; W135-R145 HydrophobicContact CD2-CG 4.24Å; W135-R145 HydrophobicContact CE3-CG 3.77Å; W135-R145 HydrophobicContact CH2-CG 3.37Å; W135-R145 HydrophobicContact CZ2-CG 3.84Å; W135-R145 HydrophobicContact CZ3-CB 4.49Å; W135-R145 HydrophobicContact CZ3-CG 3.33Å
136K95Very high94.5Very high94 Ų9484.3 Ų84.341%0.40940%0.403SS..EExtended strand (participates in β ladder)trans-132162.8175.9-64.6-175.8179.7167.10110E134 V144 V146E134-K136 WeakPolarHBondContact OE2-CE 3.44Å; E134-K136 IonicContact OE2-NZ 2.59Å; E134-K136 PolarHBondContact OE2-NZ 2.98Å; K136-V144 PolarHBondContact N-O 2.88Å; K136-V144 PolarHBondContact O-N 3.48Å; K136-V146 HydrophobicContact CB-CG2 3.92Å; K136-V146 HydrophobicContact CD-CB 4.22Å; K136-V146 HydrophobicContact CD-CG1 4.41Å; K136-V146 HydrophobicContact CD-CG2 4.09Å; K136-V146 HydrophobicContact CG-CB 4.49Å; K136-V146 HydrophobicContact CG-CG2 4.18Å
137Y95.3Very high94.7Very high161 Ų16181.6 Ų81.663%0.63138%0.384SS*.EExtended strand (participates in β ladder)trans-103137.6173.6-69.7-91.3000109.3E142 R143Y137-E142 WeakPolarHBondContact CA-O 3.19Å; Y137-R143 HydrophobicContact CD1-CB 4.1Å; Y137-R143 HydrophobicContact CE1-CB 3.79Å; Y137-R143 HydrophobicContact CE1-CG 4.34Å
138T94.7Very high94.8Very high40 Ų4081.2 Ų81.225%0.24539%0.385CS..  trans-75168168.159.80000110.3E140 G141 E142 V144 I153T138-E140 PolarHBondContact O-N 2.79Å; T138-G141 PolarHBondContact O-N 3.41Å; T138-E142 PolarHBondContact N-O 2.96Å; T138-E142 WeakPolarHBondContact OG1-CB 3.48Å; T138-E142 PolarHBondContact OG1-N 2.88Å; T138-E142 VanDerWaalsContact OG1-N 3.08Å; T138-E142 PolarHBondContact OG1-O 3.33Å; T138-V144 HydrophobicContact CG2-CB 4.39Å; T138-V144 HydrophobicContact CG2-CG1 3.75Å; T138-V144 HydrophobicContact CG2-CG2 3.7Å; T138-I153 HydrophobicContact CG2-CD1 4.41Å
139E94.1Very high94.7Very high209 Ų20977.3 Ų77.398%0.97737%0.371SS*.THydrogen-bonded Turntrans-60.3-28.6175.2-62.6178.3-17800112.2G141E139-G141 PolarHBondContact O-N 3.35Å
140E93.8Very high94.6Very high167 Ų16774.3 Ų74.378%0.7836%0.362SS*.THydrogen-bonded Turntrans-76-5174.8-60.5176.8177.800113.2T138T138-E140 PolarHBondContact O-N 2.79Å
141G94.2Very high94.5Very high50 Ų5074.9 Ų74.952%0.51538%0.376SS..SBendtrans85.16.8-178.800000114.6T138 E139T138-G141 PolarHBondContact O-N 3.41Å; E139-G141 PolarHBondContact O-N 3.35Å
142E93.8Very high94.4Very high119 Ų11981.6 Ų81.656%0.55640%0.4SS*.  trans-77.4130.7177-57.8-163.2149.800111.4Y137 T138 V144Y137-E142 WeakPolarHBondContact CA-O 3.19Å; T138-E142 PolarHBondContact N-O 2.96Å; T138-E142 WeakPolarHBondContact OG1-CB 3.48Å; T138-E142 PolarHBondContact OG1-N 2.88Å; T138-E142 VanDerWaalsContact OG1-N 3.08Å; T138-E142 PolarHBondContact OG1-O 3.33Å; E142-V144 PolarHBondContact O-N 2.98Å
143R94Very high94.4Very high67 Ų6777.8 Ų77.825%0.25338%0.384SS..EExtended strand (participates in β ladder)trans-79115174.6-176.2174.5170166.10.7110.6E52 D53 W135 Y137E52-R143 VanDerWaalsContact CB-NH1 3.35Å; E52-R143 PolarHBondContact O-NH2 2.84Å; D53-R143 IonicContact OD1-NH2 2.79Å; D53-R143 PolarHBondContact OD1-NH2 2.66Å; D53-R143 VanDerWaalsContact OD1-NH2 3.15Å; W135-R143 HydrophobicContact CD2-CG 4.49Å; W135-R143 HydrophobicContact CE3-CG 3.64Å; W135-R143 VanDerWaalsContact CG-NH2 3.29Å; W135-R143 HydrophobicContact CZ3-CG 4.1Å; Y137-R143 HydrophobicContact CD1-CB 4.1Å; Y137-R143 HydrophobicContact CE1-CB 3.79Å; Y137-R143 HydrophobicContact CE1-CG 4.34Å
144V95.3Very high94.3Very high25 Ų2576.3 Ų76.315%0.15238%0.376CS..EExtended strand (participates in β ladder)trans-120.4155.6-176.7-64.50000112.3K136 T138 E142 V146 I153K136-V144 PolarHBondContact N-O 2.88Å; K136-V144 PolarHBondContact O-N 3.48Å; T138-V144 HydrophobicContact CG2-CB 4.39Å; T138-V144 HydrophobicContact CG2-CG1 3.75Å; T138-V144 HydrophobicContact CG2-CG2 3.7Å; E142-V144 PolarHBondContact O-N 2.98Å; V144-V146 HydrophobicContact CG2-CG2 4.11Å; V144-I153 HydrophobicContact CB-CG2 3.94Å; V144-I153 HydrophobicContact CG1-CG2 4.26Å; V144-I153 HydrophobicContact CG2-CD1 4.31Å; V144-I153 HydrophobicContact CG2-CG1 4.24Å; V144-I153 HydrophobicContact CG2-CG2 4.34Å
145R95.3Very high94.2Very high3 Ų376.7 Ų76.71%0.01139%0.386CS..EExtended strand (participates in β ladder)trans-89.1129.2173.3-62.8179.3-62.7179.35.4108.5A55 D60 I133 W135 I153 I154 P155A55-R145 WeakPolarHBondContact O-CD 3.43Å; A55-R145 PolarHBondContact O-NH1 3.44Å; D60-R145 IonicContact OD1-CZ 2.69Å; D60-R145 IonicContact OD1-NH1 3.6Å; D60-R145 IonicContact OD1-NH2 3.15Å; D60-R145 PolarHBondContact OD1-NH2 3.05Å; D60-R145 IonicContact OD2-CZ 2.87Å; D60-R145 IonicContact OD2-NH1 2.93Å; D60-R145 PolarHBondContact OD2-NH1 3.44Å; D60-R145 IonicContact OD2-NH2 3.7Å; I133-R145 HydrophobicContact CG2-CB 3.71Å; I133-R145 HydrophobicContact CG2-CG 4.17Å; W135-R145 HydrophobicContact CD2-CG 4.24Å; W135-R145 HydrophobicContact CE3-CG 3.77Å; W135-R145 HydrophobicContact CH2-CG 3.37Å; W135-R145 HydrophobicContact CZ2-CG 3.84Å; W135-R145 HydrophobicContact CZ3-CB 4.49Å; W135-R145 HydrophobicContact CZ3-CG 3.33Å; R145-I153 CarbonylContact O-C 3.54Å; R145-I153 WeakPolarHBondContact O-CA 3.28Å; R145-I154 HydrophobicContact CB-CB 4.29Å; R145-I154 PolarHBondContact NE-O 3.31Å; R145-I154 PolarHBondContact O-N 3.1Å; R145-P155 PolarHBondContact NH2-O 3.24Å
146V95.7Very high94.1Very high9 Ų980.4 Ų80.46%0.05540%0.404CS..EExtended strand (participates in β ladder)trans-121.9132.1-179.4-177.70000109.7I133 E134 K136 V144 S148 G151 R152 I153I133-V146 WeakPolarHBondContact CA-O 3.12Å; E134-V146 PolarHBondContact N-O 2.89Å; E134-V146 PolarHBondContact O-N 3.21Å; K136-V146 HydrophobicContact CB-CG2 3.92Å; K136-V146 HydrophobicContact CD-CB 4.22Å; K136-V146 HydrophobicContact CD-CG1 4.41Å; K136-V146 HydrophobicContact CD-CG2 4.09Å; K136-V146 HydrophobicContact CG-CB 4.49Å; K136-V146 HydrophobicContact CG-CG2 4.18Å; V144-V146 HydrophobicContact CG2-CG2 4.11Å; V146-S148 PolarHBondContact O-N 2.88Å; V146-G151 VanDerWaalsContact CG1-O 3.31Å; V146-G151 WeakPolarHBondContact CG1-O 3.46Å; V146-R152 WeakPolarHBondContact CA-O 3.46Å; V146-I153 HydrophobicContact CG2-CG1 4.25Å
147S96.7Very high94Very high0 Ų077.6 Ų77.60%040%0.395CS..EExtended strand (participates in β ladder)trans-66.6122172.4171.60000109.7D124 T131 R149 T150 G151 R152D124-S147 VanDerWaalsContact OD2-CB 3.3Å; D124-S147 WeakPolarHBondContact OD2-CB 3.46Å; D124-S147 PolarHBondContact OD2-OG 3.48Å; T131-S147 WeakPolarHBondContact CG2-OG 3.35Å; S147-R149 PolarHBondContact O-N 3.3Å; S147-R149 PolarHBondContact OG-N 3Å; S147-T150 WeakPolarHBondContact CB-OG1 3.46Å; S147-T150 PolarHBondContact OG-N 3.28Å; S147-T150 PolarHBondContact OG-OG1 3.08Å; S147-G151 WeakPolarHBondContact O-CA 3.41Å; S147-G151 PolarHBondContact O-N 2.98Å; S147-R152 PolarHBondContact N-O 3.16Å
148S93.9Very high93.8Very high47 Ų4777.2 Ų77.233%0.32941%0.409SS..THydrogen-bonded Turntrans-65.1-22.4176.3-58.90000112.5Q132 E134 V146Q132-S148 PolarHBondContact O-N 3.42Å; Q132-S148 PolarHBondContact O-OG 2.77Å; E134-S148 VanDerWaalsContact CD-OG 3.28Å; E134-S148 WeakPolarHBondContact CG-OG 3.19Å; E134-S148 WeakPolarHBondContact OE1-CB 3.36Å; E134-S148 PolarHBondContact OE1-OG 3.02Å; V146-S148 PolarHBondContact O-N 2.88Å
149R92.4Very high93.6Very high109 Ų10978.1 Ų78.141%0.41141%0.414SS..THydrogen-bonded Turntrans-81-52.1-179-178.8173.267-138.3-10.5112.7D127 K129 P130 T131 S147D127-R149 IonicContact OD1-CZ 2.68Å; D127-R149 IonicContact OD1-NH2 3.01Å; D127-R149 PolarHBondContact OD1-NH2 2.93Å; D127-R149 IonicContact OD2-CZ 3.5Å; D127-R149 IonicContact OD2-NE 3.72Å; D127-R149 PolarHBondContact OD2-NE 3.18Å; D127-R149 IonicContact OD2-NH2 3.83Å; D127-R149 PolarHBondContact OD2-NH2 2.92Å; K129-R149 PolarHBondContact O-NH2 2.79Å; P130-R149 PolarHBondContact O-NH1 3.26Å; T131-R149 HydrophobicContact CG2-CB 3.85Å; S147-R149 PolarHBondContact O-N 3.3Å; S147-R149 PolarHBondContact OG-N 3Å
150T92.8Very high93.3Very high59 Ų5975.9 Ų75.936%0.36240%0.404SS..THydrogen-bonded Turntrans-100.6-11.8-173.363.70000112.8D124 S147 R152D124-T150 WeakPolarHBondContact OD2-CB 3.1Å; D124-T150 WeakPolarHBondContact OD2-CG2 3.23Å; D124-T150 PolarHBondContact OD2-OG1 3.41Å; S147-T150 WeakPolarHBondContact CB-OG1 3.46Å; S147-T150 PolarHBondContact OG-N 3.28Å; S147-T150 PolarHBondContact OG-OG1 3.08Å; T150-R152 PolarHBondContact O-N 3.47Å; T150-R152 WeakPolarHBondContact OG1-CB 3.49Å; T150-R152 PolarHBondContact OG1-N 3.03Å
151G92.4Very high93Very high52 Ų5275.1 Ų75.154%0.53639%0.394SS..  trans69.95.9-170.700000113.7V146 S147V146-G151 VanDerWaalsContact CG1-O 3.31Å; V146-G151 WeakPolarHBondContact CG1-O 3.46Å; S147-G151 WeakPolarHBondContact O-CA 3.41Å; S147-G151 PolarHBondContact O-N 2.98Å
152R93.6Very high92.6Very high152 Ų15279.3 Ų79.357%0.57439%0.394SS*.  trans-81144.5-176.4-160175.7-169.4128.72.7112.1S126 V146 S147 T150S126-R152 WeakPolarHBondContact OG-CD 3.31Å; V146-R152 WeakPolarHBondContact CA-O 3.46Å; S147-R152 PolarHBondContact N-O 3.16Å; T150-R152 PolarHBondContact O-N 3.47Å; T150-R152 WeakPolarHBondContact OG1-CB 3.49Å; T150-R152 PolarHBondContact OG1-N 3.03Å
153I94.6Very high92.3Very high82 Ų8277.7 Ų77.742%0.42139%0.389SS..EExtended strand (participates in β ladder)trans-71.5128173.5-61.8170000109.9T138 V144 R145 V146 P155T138-I153 HydrophobicContact CG2-CD1 4.41Å; V144-I153 HydrophobicContact CB-CG2 3.94Å; V144-I153 HydrophobicContact CG1-CG2 4.26Å; V144-I153 HydrophobicContact CG2-CD1 4.31Å; V144-I153 HydrophobicContact CG2-CG1 4.24Å; V144-I153 HydrophobicContact CG2-CG2 4.34Å; R145-I153 CarbonylContact O-C 3.54Å; R145-I153 WeakPolarHBondContact O-CA 3.28Å; V146-I153 HydrophobicContact CG2-CG1 4.25Å; I153-P155 WeakPolarHBondContact O-CD 3.45Å
154I94.1Very high92Very high12 Ų1277.3 Ų77.36%0.06241%0.406CS..EExtended strand (participates in β ladder)trans-98104.2172.3-57.3176.2000107.8L122 R145L122-I154 HydrophobicContact CB-CD1 4.48Å; R145-I154 HydrophobicContact CB-CB 4.29Å; R145-I154 PolarHBondContact NE-O 3.31Å; R145-I154 PolarHBondContact O-N 3.1Å
155P91.7Very high91.8Very high89 Ų8979.9 Ų79.958%0.57842%0.418SS*.PPolyproline II helixtrans-65157.6-176.828.2-35000111.3R145 I153R145-P155 PolarHBondContact NH2-O 3.24Å; I153-P155 WeakPolarHBondContact O-CD 3.45Å
156K92.7Very high91.6Very high143 Ų14382.8 Ų82.862%0.62244%0.436SS*.PPolyproline II helixtrans-68.8133.1172-70176.5-177.81650109.1L57L57-K156 HydrophobicContact CD1-CB 4.39Å; L57-K156 HydrophobicContact CD1-CD 4.45Å; L57-K156 HydrophobicContact CD1-CG 3.96Å
157P92.8Very high91.4Very high34 Ų3486.3 Ų86.322%0.22146%0.459CS..PPolyproline II helixtrans-68.3141.6-179.928.9-34.4000109.6L57 K58 D60 V159L57-P157 HydrophobicContact CB-CG 4.15Å; K58-P157 WeakPolarHBondContact O-CG 3.19Å; D60-P157 WeakPolarHBondContact OD1-CD 3.09Å; D60-P157 WeakPolarHBondContact OD1-CG 3.46Å; P157-V159 HydrophobicContact CB-CG2 4.5Å; P157-V159 HydrophobicContact CG-CG2 4.29Å; P157-V159 PolarHBondContact O-N 3.36Å
158V91.3Very high91.2Very high154 Ų15494.5 Ų94.593%0.93350%0.502SS*.PPolyproline II helixtrans-73.4116.1171.2-177.10000107.7
159V89.6Confident91.2Very high58 Ų5899.6 Ų99.635%0.35252%0.521SS..  trans-116.6138.6-179.9-172.40000109K58 P157 R161K58-V159 HydrophobicContact CB-CG1 4.44Å; K58-V159 HydrophobicContact CB-CG2 4.38Å; K58-V159 HydrophobicContact CD-CG1 3.68Å; K58-V159 HydrophobicContact CG-CG1 3.93Å; K58-V159 HydrophobicContact CG-CG2 4.42Å; K58-V159 WeakPolarHBondContact O-CG2 2.87Å; P157-V159 HydrophobicContact CB-CG2 4.5Å; P157-V159 HydrophobicContact CG-CG2 4.29Å; P157-V159 PolarHBondContact O-N 3.36Å; V159-R161 PolarHBondContact O-N 2.79Å
160E87.8Confident91.2Very high163 Ų163100.6 Ų100.676%0.76252%0.524SS*.  trans-55.2134.2169.3-64.9173.9-178.400111
161R88Confident91.3Very high150 Ų150106.5 Ų106.557%0.56655%0.545SS*.  trans-58.3147.1176.2-66.117967.8167.6-0.2109.6V159 D163 G164V159-R161 PolarHBondContact O-N 2.79Å; R161-D163 IonicContact NH2-OD2 3.58Å; R161-D163 PolarHBondContact O-N 3.4Å; R161-D163 VanDerWaalsContact O-N 3.11Å; R161-G164 PolarHBondContact O-N 3.18Å
162R86.7Confident91.5Very high139 Ų139108.2 Ų108.253%0.52554%0.542SS..THydrogen-bonded Turntrans-58.6-28178.7-177.8174.7171.7-165.8-12.7112.9M9 R25 G164M9-R162 HydrophobicContact CE-CG 4.34Å; R25-R162 VanDerWaalsContact NH1-NH2 3.16Å; R162-G164 PolarHBondContact O-N 3.08Å
163D86.3Confident91.5Very high84 Ų84102.2 Ų102.245%0.44953%0.528SS..THydrogen-bonded Turntrans-75.7-14.2-178.8-45.8-38000112R161 I165R161-D163 IonicContact NH2-OD2 3.58Å; R161-D163 PolarHBondContact O-N 3.4Å; R161-D163 VanDerWaalsContact O-N 3.11Å; D163-I165 HydrophobicContact CB-CD1 4.4Å; D163-I165 HydrophobicContact CB-CG1 4.4Å; D163-I165 PolarHBondContact O-N 2.83Å
164G88.7Confident91.6Very high59 Ų59105.2 Ų105.261%0.60855%0.553SS**  trans76.31.4-178.800000114.4R161 R162R161-G164 PolarHBondContact O-N 3.18Å; R162-G164 PolarHBondContact O-N 3.08Å
165I90Very high91.7Very high79 Ų79114.1 Ų114.141%0.40559%0.591SS.*  trans-82128.4179.2-58.2171.4000109.2D163 P167 W170D163-I165 HydrophobicContact CB-CD1 4.4Å; D163-I165 HydrophobicContact CB-CG1 4.4Å; D163-I165 PolarHBondContact O-N 2.83Å; I165-P167 WeakPolarHBondContact O-CD 3.39Å; I165-W170 HydrophobicContact CD1-CZ3 4.35Å; I165-W170 HydrophobicContact CG2-CE3 3.8Å; I165-W170 HydrophobicContact CG2-CZ3 4.23Å
166V92.1Very high91.9Very high65 Ų65113.5 Ų113.539%0.39458%0.583SS.*  trans-99.8108.4171.4179.90000107.8L168 Q169 W170V166-L168 VanDerWaalsContact C-N 3.27Å; V166-L168 HydrophobicContact CG1-CB 4.44Å; V166-L168 PolarHBondContact O-N 2.81Å; V166-Q169 HydrophobicContact CB-CB 4.36Å; V166-Q169 HydrophobicContact CB-CG 4.45Å; V166-Q169 HydrophobicContact CG1-CB 4.39Å; V166-Q169 HydrophobicContact CG1-CG 4.07Å; V166-Q169 PolarHBondContact O-N 2.9Å; V166-W170 PolarHBondContact O-N 3.47Å
167P91.6Very high92Very high82 Ų82111.4 Ų111.453%0.53258%0.582SS.*G310 helixtrans-56.5-38.4-173.4-2836000113.9I165 Q169 W170I165-P167 WeakPolarHBondContact O-CD 3.39Å; P167-Q169 PolarHBondContact O-N 2.87Å; P167-Q169 VanDerWaalsContact O-N 3.15Å; P167-W170 VanDerWaalsContact O-CB 3.23Å; P167-W170 WeakPolarHBondContact O-CB 3.44Å; P167-W170 PolarHBondContact O-N 3.35Å; P167-W170 VanDerWaalsContact O-N 3.09Å
168L92.3Very high92.1Very high173 Ų173111.5 Ų111.591%0.90658%0.583SS**G310 helixtrans-63.8-19.1179.6-64.8173.4000114.1V166V166-L168 VanDerWaalsContact C-N 3.27Å; V166-L168 HydrophobicContact CG1-CB 4.44Å; V166-L168 PolarHBondContact O-N 2.81Å
169Q93.4Very high92.4Very high154 Ų154108 Ų10872%0.7256%0.564SS**G310 helixtrans-107.45.8179.9-63.6179.2-5.400112.1V166 P167V166-Q169 HydrophobicContact CB-CB 4.36Å; V166-Q169 HydrophobicContact CB-CG 4.45Å; V166-Q169 HydrophobicContact CG1-CB 4.39Å; V166-Q169 HydrophobicContact CG1-CG 4.07Å; V166-Q169 PolarHBondContact O-N 2.9Å; P167-Q169 PolarHBondContact O-N 2.87Å; P167-Q169 VanDerWaalsContact O-N 3.15Å
170W93.8Very high92.6Very high129 Ų129113.2 Ų113.249%0.48959%0.585SS.*  trans-67.6140.4-178.9-177-101.3000111I165 V166 P167 D172 D176I165-W170 HydrophobicContact CD1-CZ3 4.35Å; I165-W170 HydrophobicContact CG2-CE3 3.8Å; I165-W170 HydrophobicContact CG2-CZ3 4.23Å; V166-W170 PolarHBondContact O-N 3.47Å; P167-W170 VanDerWaalsContact O-CB 3.23Å; P167-W170 WeakPolarHBondContact O-CB 3.44Å; P167-W170 PolarHBondContact O-N 3.35Å; P167-W170 VanDerWaalsContact O-N 3.09Å; W170-D172 VanDerWaalsContact CD1-OD1 3.23Å; W170-D172 PolarHBondContact NE1-OD1 2.66Å; W170-D176 WeakPolarHBondContact CZ2-OD2 3.39Å
171K94.6Very high93Very high183 Ų183110.2 Ų110.280%0.79657%0.574SS**  trans-133.5128.1173.6-65.8-174.9179.3-1750107.5G173K171-G173 PolarHBondContact O-N 2.84Å
172D95.2Very high93.4Very high88 Ų88106.4 Ų106.447%0.47158%0.575SS.*  trans-65.9129.8-176.8-61.8-24.4000110.6W170 D176W170-D172 VanDerWaalsContact CD1-OD1 3.23Å; W170-D172 PolarHBondContact NE1-OD1 2.66Å; D172-D176 HydrophobicContact CB-CB 4.28Å
173G95.1Very high93.9Very high27 Ų27106.6 Ų106.628%0.27859%0.585SS.*  trans-85.2177173.600000112.4K171 K175 D176K171-G173 PolarHBondContact O-N 2.84Å; G173-K175 PolarHBondContact O-N 3.02Å; G173-D176 WeakPolarHBondContact CA-OD2 3.36Å; G173-D176 PolarHBondContact N-OD2 3.34Å; G173-D176 PolarHBondContact O-N 3.33Å; G173-D176 VanDerWaalsContact O-N 3.16Å
174P96.5Very high94.4Very high145 Ų145108.6 Ų108.694%0.94259%0.592SS**THydrogen-bonded Turntrans-67.1-9.6-17828.1-36.5000114.6
175K96.3Very high94.8Very high198 Ų198115.5 Ų115.586%0.86161%0.605SS**THydrogen-bonded Turntrans-119.57.5179.3-64.3-172.7177.7-173.70112.6G173G173-K175 PolarHBondContact O-N 3.02Å
176D95.3Very high95.1Very high76 Ų76116.8 Ų116.841%0.40662%0.617SS.*PPolyproline II helixtrans-97.4130.4179-59.8-41.3000108.3W170 D172 G173W170-D176 WeakPolarHBondContact CZ2-OD2 3.39Å; D172-D176 HydrophobicContact CB-CB 4.28Å; G173-D176 WeakPolarHBondContact CA-OD2 3.36Å; G173-D176 PolarHBondContact N-OD2 3.34Å; G173-D176 PolarHBondContact O-N 3.33Å; G173-D176 VanDerWaalsContact O-N 3.16Å
177T94.8Very high95.2Very high100 Ų100122.3 Ų122.361%0.61363%0.632SS**PPolyproline II helixtrans-76.8142.5179.2-46.40000110.2D181T177-D181 HydrophobicContact CG2-CB 3.92Å
178S95.8Very high95.4Very high35 Ų35123.5 Ų123.525%0.24564%0.637CS.*PPolyproline II helixtrans-65.7152.3176.281.60000111.1E180 D181 A182S178-E180 PolarHBondContact O-N 2.97Å; S178-D181 PolarHBondContact OG-N 2.99Å; S178-D181 PolarHBondContact OG-OD2 2.94Å; S178-A182 WeakPolarHBondContact O-CB 3.35Å; S178-A182 PolarHBondContact O-N 3.35Å; S178-A182 VanDerWaalsContact O-N 3.15Å
179P95.6Very high95.6Very high82 Ų82120.3 Ų120.353%0.53263%0.627SS.*Hα-helixtrans-62-30.9176-24.434.7000113.6L183P179-L183 WeakPolarHBondContact O-CB 3.48Å; P179-L183 VanDerWaalsContact O-CG 3.28Å; P179-L183 WeakPolarHBondContact O-CG 3.38Å; P179-L183 PolarHBondContact O-N 2.87Å; P179-L183 VanDerWaalsContact O-N 3.1Å
180E95.8Very high95.7Very high166 Ų166115.7 Ų115.778%0.77661%0.611SS**Hα-helixtrans-67-51.4-179.6-63.9178.7-174.400110.4S178 A182 L183 E184S178-E180 PolarHBondContact O-N 2.97Å; E180-A182 VanDerWaalsContact C-N 3.27Å; E180-A182 PolarHBondContact O-N 3.34Å; E180-L183 PolarHBondContact O-N 3.25Å; E180-E184 PolarHBondContact O-N 3.22Å; E180-E184 VanDerWaalsContact O-N 3.12Å
181D95.8Very high95.9Very high101 Ų101118.4 Ų118.454%0.5464%0.635SS.*Hα-helixtrans-63.5-34.3178.1-54-36.8000111.7T177 S178T177-D181 HydrophobicContact CG2-CB 3.92Å; S178-D181 PolarHBondContact OG-N 2.99Å; S178-D181 PolarHBondContact OG-OD2 2.94Å
182A95.7Very high95.9Very high70 Ų70114.3 Ų114.358%0.57962%0.617SS**Hα-helixtrans-76.1-28.3-17800000113.6S178 E180S178-A182 WeakPolarHBondContact O-CB 3.35Å; S178-A182 PolarHBondContact O-N 3.35Å; S178-A182 VanDerWaalsContact O-N 3.15Å; E180-A182 VanDerWaalsContact C-N 3.27Å; E180-A182 PolarHBondContact O-N 3.34Å
183L97.2Very high96Very high142 Ų142113.2 Ų113.274%0.74361%0.614SS**Hα-helixtrans-93.8-8.5179.4-69.2174.2000112.9P179 E180 K185P179-L183 WeakPolarHBondContact O-CB 3.48Å; P179-L183 VanDerWaalsContact O-CG 3.28Å; P179-L183 WeakPolarHBondContact O-CG 3.38Å; P179-L183 PolarHBondContact O-N 2.87Å; P179-L183 VanDerWaalsContact O-N 3.1Å; E180-L183 PolarHBondContact O-N 3.25Å; L183-K185 PolarHBondContact O-N 3.3Å
184E97.4Very high96.1Very high126 Ų126117.9 Ų117.959%0.58963%0.632SS**  trans-56.9121.9176.2-166.7-175178.600110.9E180 T186E180-E184 PolarHBondContact O-N 3.22Å; E180-E184 VanDerWaalsContact O-N 3.12Å; E184-T186 HydrophobicContact CB-CG2 4.31Å; E184-T186 HydrophobicContact CG-CG2 3.88Å; E184-T186 PolarHBondContact O-N 3.1Å
185K97.1Very high96Very high204 Ų204117 Ų11789%0.88762%0.615SS**  trans-81.885.5178.6-68.1-178.4-179.1176.40110.1L183L183-K185 PolarHBondContact O-N 3.3Å
186T95.1Very high95.9Very high106 Ų106112.1 Ų112.165%0.6560%0.595SS**  trans-90.4-19.4-18054.10000113.8E184 V188E184-T186 HydrophobicContact CB-CG2 4.31Å; E184-T186 HydrophobicContact CG-CG2 3.88Å; E184-T186 PolarHBondContact O-N 3.1Å; T186-V188 PolarHBondContact O-N 3.31Å
187Y95.8Very high95.9Very high181 Ų181113 Ų11371%0.7160%0.597SS**  trans-72.7123.5-177.8178.4-110.8000112.1P189Y187-P189 HydrophobicContact CE1-CB 4.13Å
188V95.4Very high96Very high108 Ų108111.3 Ų111.366%0.65559%0.586SS**  trans-110.6120171.1-179.30000108.2T186 S190T186-V188 PolarHBondContact O-N 3.31Å; V188-S190 PolarHBondContact O-N 3.46Å
189P97Very high96Very high105 Ų105112.9 Ų112.968%0.68259%0.59SS**  trans-65.2124.818026.1-32.5000110.3Y187Y187-P189 HydrophobicContact CE1-CB 4.13Å
190S95.5Very high96Very high57 Ų57114.5 Ų114.540%0.39959%0.591SS.*  trans-134.1163.5179.684.60000110.4V188 K192V188-S190 PolarHBondContact O-N 3.46Å; S190-K192 VanDerWaalsContact C-N 3.28Å; S190-K192 PolarHBondContact OG-N 2.8Å
191L96.6Very high95.9Very high187 Ų187115.3 Ų115.398%0.97959%0.592SS**SBendtrans-87.62.8174.1-64.4177.4000112.8
192K95.8Very high96Very high97 Ų97116.3 Ų116.342%0.42260%0.597SS.*SBendtrans-87.8152.5179.5-59.3-169.7-173.7-170.20110.1S190 E196 E200S190-K192 VanDerWaalsContact C-N 3.28Å; S190-K192 PolarHBondContact OG-N 2.8Å; K192-E196 WeakPolarHBondContact CA-OE2 3.33Å; K192-E196 HydrophobicContact CB-CB 4.34Å; K192-E200 IonicContact NZ-OE1 2.75Å; K192-E200 PolarHBondContact NZ-OE1 3.02Å; K192-E200 IonicContact NZ-OE2 2.68Å; K192-E200 PolarHBondContact NZ-OE2 2.91Å
193T96.3Very high96Very high65 Ų65115.6 Ų115.640%0.39960%0.596SS.*  trans-75.2161.4167.961.10000110.6E195 E196 E197T193-E195 WeakPolarHBondContact CB-OE2 3.44Å; T193-E195 PolarHBondContact O-N 3.33Å; T193-E196 PolarHBondContact N-OE2 2.99Å; T193-E196 PolarHBondContact O-N 3.36Å; T193-E196 WeakPolarHBondContact OG1-CB 3.4Å; T193-E196 WeakPolarHBondContact OG1-CG 3.36Å; T193-E196 PolarHBondContact OG1-N 2.95Å; T193-E196 PolarHBondContact OG1-OE2 3.45Å; T193-E197 PolarHBondContact O-N 3.13Å
194L96.5Very high95.9Very high125 Ų125113.1 Ų113.165%0.65458%0.583SS**Hα-helixtrans-61.4-38.6177179145.6000110.5E197 V198L194-E197 PolarHBondContact O-N 3.08Å; L194-V198 HydrophobicContact CD2-CG2 4.01Å; L194-V198 HydrophobicContact CG-CG2 4.27Å; L194-V198 WeakPolarHBondContact O-CB 3.15Å; L194-V198 WeakPolarHBondContact O-CG2 3.38Å; L194-V198 PolarHBondContact O-N 2.77Å
195E95.1Very high95.7Very high126 Ų126114.2 Ų114.259%0.58959%0.588SS**Hα-helixtrans-61.8-46.4178.2-64.180.5179.800111.3T193 V198 M199T193-E195 WeakPolarHBondContact CB-OE2 3.44Å; T193-E195 PolarHBondContact O-N 3.33Å; E195-V198 PolarHBondContact O-N 2.79Å; E195-M199 WeakPolarHBondContact O-CB 3.35Å; E195-M199 VanDerWaalsContact O-CG 3.28Å; E195-M199 WeakPolarHBondContact O-CG 3.38Å; E195-M199 PolarHBondContact O-N 3.45Å
196E94.8Very high95.4Very high96 Ų96110.1 Ų110.145%0.44957%0.571SS.*Hα-helixtrans-61.9-47.4176.7-73.7164.4-175.700111.7K192 T193 V198 M199 E200K192-E196 WeakPolarHBondContact CA-OE2 3.33Å; K192-E196 HydrophobicContact CB-CB 4.34Å; T193-E196 PolarHBondContact N-OE2 2.99Å; T193-E196 PolarHBondContact O-N 3.36Å; T193-E196 WeakPolarHBondContact OG1-CB 3.4Å; T193-E196 WeakPolarHBondContact OG1-CG 3.36Å; T193-E196 PolarHBondContact OG1-N 2.95Å; T193-E196 PolarHBondContact OG1-OE2 3.45Å; E196-V198 PolarHBondContact O-N 2.92Å; E196-M199 PolarHBondContact O-N 3.34Å; E196-E200 WeakPolarHBondContact O-CG 3.43Å; E196-E200 PolarHBondContact O-N 3.37Å
197E95.7Very high95.4Very high94 Ų94112.3 Ų112.344%0.43957%0.574SS.*Hα-helixtrans-63.7-41.7179.8-171.5-178.3161.600111.9T193 L194 E200 K201T193-E197 PolarHBondContact O-N 3.13Å; L194-E197 PolarHBondContact O-N 3.08Å; E197-E200 PolarHBondContact O-N 2.87Å; E197-K201 VanDerWaalsContact O-CB 3.24Å; E197-K201 WeakPolarHBondContact O-CB 3.27Å; E197-K201 PolarHBondContact O-N 2.92Å
198V96.1Very high95.2Very high64 Ų64113.7 Ų113.739%0.38858%0.578SS.*Hα-helixtrans-67.4-41.2177170.70000111L194 E195 E196 K201 L202L194-V198 HydrophobicContact CD2-CG2 4.01Å; L194-V198 HydrophobicContact CG-CG2 4.27Å; L194-V198 WeakPolarHBondContact O-CB 3.15Å; L194-V198 WeakPolarHBondContact O-CG2 3.38Å; L194-V198 PolarHBondContact O-N 2.77Å; E195-V198 PolarHBondContact O-N 2.79Å; E196-V198 PolarHBondContact O-N 2.92Å; V198-K201 PolarHBondContact O-N 3.46Å; V198-L202 HydrophobicContact CG1-CD1 3.68Å; V198-L202 HydrophobicContact CG1-CG 4.25Å; V198-L202 WeakPolarHBondContact O-CB 3.07Å; V198-L202 VanDerWaalsContact O-CG 3.31Å; V198-L202 WeakPolarHBondContact O-CG 3.46Å; V198-L202 PolarHBondContact O-N 3Å
199M95.9Very high95Very high68 Ų68119.6 Ų119.634%0.33559%0.589SS.*Hα-helixtrans-59.9-47.7175.1-81.3-17655.800111.5E195 E196 L202 G203 I204 E206E195-M199 WeakPolarHBondContact O-CB 3.35Å; E195-M199 VanDerWaalsContact O-CG 3.28Å; E195-M199 WeakPolarHBondContact O-CG 3.38Å; E195-M199 PolarHBondContact O-N 3.45Å; E196-M199 PolarHBondContact O-N 3.34Å; M199-L202 PolarHBondContact O-N 2.91Å; M199-G203 PolarHBondContact O-N 3.07Å; M199-I204 HydrophobicContact CB-CB 4.38Å; M199-I204 HydrophobicContact CE-CG2 4.21Å; M199-I204 HydrophobicContact CG-CB 4.38Å; M199-I204 PolarHBondContact O-N 3.06Å; M199-E206 HydrophobicContact CE-CB 3.87Å
200E94.8Very high94.8Very high116 Ų116123.2 Ų123.254%0.54260%0.596SS.*Hα-helixtrans-61.1-45.2176.6-73.6179.7177.400111.8K192 E196 E197 L202 G203K192-E200 IonicContact NZ-OE1 2.75Å; K192-E200 PolarHBondContact NZ-OE1 3.02Å; K192-E200 IonicContact NZ-OE2 2.68Å; K192-E200 PolarHBondContact NZ-OE2 2.91Å; E196-E200 WeakPolarHBondContact O-CG 3.43Å; E196-E200 PolarHBondContact O-N 3.37Å; E197-E200 PolarHBondContact O-N 2.87Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 3.49Å; E200-G203 PolarHBondContact O-N 2.78Å; E200-G203 VanDerWaalsContact O-N 3.08Å
201K95.3Very high94.7Very high184 Ų184128.9 Ų128.980%0.862%0.616SS**Hα-helixtrans-65.3-35.1-179.5-172.7173.3-176.9174.70113E197 V198 G203E197-K201 VanDerWaalsContact O-CB 3.24Å; E197-K201 WeakPolarHBondContact O-CB 3.27Å; E197-K201 PolarHBondContact O-N 2.92Å; V198-K201 PolarHBondContact O-N 3.46Å; K201-G203 VanDerWaalsContact C-N 3.3Å
202L96.9Very high94.7Very high122 Ų122128.5 Ų128.564%0.63961%0.607SS**THydrogen-bonded Turntrans-84.3-4.2175.5-66.4176.6000112.9V198 M199 E200 I204V198-L202 HydrophobicContact CG1-CD1 3.68Å; V198-L202 HydrophobicContact CG1-CG 4.25Å; V198-L202 WeakPolarHBondContact O-CB 3.07Å; V198-L202 VanDerWaalsContact O-CG 3.31Å; V198-L202 WeakPolarHBondContact O-CG 3.46Å; V198-L202 PolarHBondContact O-N 3Å; M199-L202 PolarHBondContact O-N 2.91Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 3.49Å; L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 HydrophobicContact CB-CD1 3.79Å; L202-I204 HydrophobicContact CB-CG1 3.81Å; L202-I204 HydrophobicContact CD1-CD1 3.89Å; L202-I204 PolarHBondContact O-N 2.9Å
203G95.8Very high94.6Very high55 Ų55127.8 Ų127.857%0.56761%0.614SS**THydrogen-bonded Turntrans6922.8-177.800000113.9M199 E200 K201M199-G203 PolarHBondContact O-N 3.07Å; E200-G203 PolarHBondContact O-N 2.78Å; E200-G203 VanDerWaalsContact O-N 3.08Å; K201-G203 VanDerWaalsContact C-N 3.3Å
204I95.5Very high94.5Very high90 Ų90133.6 Ų133.646%0.46263%0.63SS.*  trans-79.3122.8-179.3-58.3170.7000108.7M199 L202M199-I204 HydrophobicContact CB-CB 4.38Å; M199-I204 HydrophobicContact CE-CG2 4.21Å; M199-I204 HydrophobicContact CG-CB 4.38Å; M199-I204 PolarHBondContact O-N 3.06Å; L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 HydrophobicContact CB-CD1 3.79Å; L202-I204 HydrophobicContact CB-CG1 3.81Å; L202-I204 HydrophobicContact CD1-CD1 3.89Å; L202-I204 PolarHBondContact O-N 2.9Å
205Q93.2Very high94.2Very high149 Ų149139.2 Ų139.270%0.69664%0.642SS**  trans-109.2119.5176.8-60.7-176.48.800109.8H207Q205-H207 PolarHBondContact OE1-CE1 3.41Å
206E90.9Very high93.8Very high117 Ų117146.8 Ų146.855%0.54767%0.668SS.*  trans-104.6110.1171.8-178.254.8-99.600109.1M199 R208M199-E206 HydrophobicContact CE-CB 3.87Å; E206-R208 WeakPolarHBondContact OE1-CB 3.31Å; E206-R208 VanDerWaalsContact OE1-CG 3.24Å; E206-R208 WeakPolarHBondContact OE1-CG 3.27Å; E206-R208 PolarHBondContact OE1-N 2.94Å
207H93.8Very high93.7Very high152 Ų152149.3 Ų149.370%0.70468%0.679SS**  trans-88.4-17.1-179.2-58.1-57.9000112.5Q205Q205-H207 PolarHBondContact OE1-CE1 3.41Å
208R93.3Very high93.6Very high211 Ų211152.2 Ų152.280%0.79669%0.691SS**  trans-77.1146.7178.5-58.1169.9177.1175.71.1109.6E206E206-R208 WeakPolarHBondContact OE1-CB 3.31Å; E206-R208 VanDerWaalsContact OE1-CG 3.24Å; E206-R208 WeakPolarHBondContact OE1-CG 3.27Å; E206-R208 PolarHBondContact OE1-N 2.94Å
209R91Very high93.5Very high232 Ų232157.1 Ų157.188%0.87571%0.708SS**  trans-106141.6172.9-65.8-176.4178.3-178.1-0.9109.6Q211R209-Q211 PolarHBondContact O-N 3.33Å
210H92.6Very high93.3Very high180 Ų180162.4 Ų162.483%0.83373%0.73SS**PPolyproline II helixtrans-59.3135.6174.369.8-93.6000109.6
211Q93.5Very high93.2Very high177 Ų177165.3 Ų165.383%0.82774%0.742SS**PPolyproline II helixtrans-77.9152.7172.3-66.5-167.6-4.400110R209 S213R209-Q211 PolarHBondContact O-N 3.33Å; Q211-S213 PolarHBondContact O-N 3.27Å
212K95.5Very high93.1Very high178 Ų178164 Ų16477%0.77474%0.738SS**PPolyproline II helixtrans-66122.8178.1-170.2177-178.5-178.80109.6
213S94.3Very high92.8Very high83 Ų83167 Ų16758%0.5875%0.745SS**  trans-113152.3173.556.10000110.7Q211Q211-S213 PolarHBondContact O-N 3.27Å
214Y93.5Very high92.6Very high186 Ų186175.6 Ų175.673%0.72976%0.759SS**  trans-100.2135174.8-62.4-86.2000109.1
215W90.4Very high92.4Very high243 Ų243182.8 Ų182.892%0.9278%0.783SS**  trans-114.3120.2172.1-70.377000107.3
216Y86.4Confident92.3Very high285 Ų285185.8 Ų185.8100%1.11879%0.791SS**  trans-131.20179.455.9-96.8000110.3

Retrieved 216 of 216 residues in 327.4 ms (Link to these results)

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