A0A087X7I1_POEFO Loading...

Actin filament-associated protein 1-like 2

May play a role in a signaling cascade by enhancing the kinase activity of SRC. Contributes to SRC-regulated transcription activation.

AlphaFold DB , UniProt , Accession A0A087X7I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 920 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
1M53.4Low78Confident193 Ų193116.9 Ų116.995%0.95157%0.569SS**  0-56.70-158.3170.4-78.100112.4K3 H4M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.85Å; M1-H4 PolarHBondContact O-N 3.28Å
2E64.3Low79.1Confident159 Ų159116 Ų11674%0.74357%0.565SS**Hα-helixtrans-58.2-37.1-177.4-67.4173.9128.500115H4 K5 V6E2-H4 PolarHBondContact O-N 3.03Å; E2-K5 WeakPolarHBondContact O-CB 3.44Å; E2-K5 PolarHBondContact O-N 3.13Å; E2-V6 PolarHBondContact O-N 3.31Å
3K64.4Low80.2Confident188 Ų188112.9 Ų112.982%0.81755%0.549SS*.Hα-helixtrans-55.7-34.9178-67.1-170.7177.1-174.10113.8M1 L7M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.85Å; K3-L7 PolarHBondContact O-N 3.41Å; K3-L7 VanDerWaalsContact O-N 3.14Å
4H75.4Confident81.2Confident119 Ų119108.6 Ų108.655%0.55153%0.529SS*.Hα-helixtrans-66.7-48.2172.9-85.9-86000111.1M1 E2 V6 L7 D8M1-H4 PolarHBondContact O-N 3.28Å; E2-H4 PolarHBondContact O-N 3.03Å; H4-V6 PolarHBondContact O-N 3.22Å; H4-V6 VanDerWaalsContact O-N 3.16Å; H4-L7 CarbonylContact O-C 3.57Å; H4-L7 WeakPolarHBondContact O-CA 3.35Å; H4-L7 WeakPolarHBondContact O-CB 3.38Å; H4-L7 PolarHBondContact O-N 3.14Å; H4-D8 PolarHBondContact O-N 3.27Å; H4-D8 VanDerWaalsContact O-OD2 3.07Å
5K80Confident82Confident141 Ų141106.5 Ų106.561%0.61352%0.518SS*.Hα-helixtrans-56.2-36.5178-59.9-174.8176.9-176.30113.1E2 Q9E2-K5 WeakPolarHBondContact O-CB 3.44Å; E2-K5 PolarHBondContact O-N 3.13Å; K5-Q9 VanDerWaalsContact O-CB 3.31Å; K5-Q9 WeakPolarHBondContact O-CB 3.46Å; K5-Q9 PolarHBondContact O-N 3.07Å; K5-Q9 VanDerWaalsContact O-N 3.09Å
6V80.6Confident82.7Confident102 Ų102109.1 Ų109.162%0.61852%0.521SS*.Hα-helixtrans-69-41.5174.9176.70000111.4E2 H4 L10E2-V6 PolarHBondContact O-N 3.31Å; H4-V6 PolarHBondContact O-N 3.22Å; H4-V6 VanDerWaalsContact O-N 3.16Å; V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 PolarHBondContact O-N 3.14Å
7L85.6Confident83.4Confident62 Ų62109.1 Ų109.133%0.32552%0.518SS..Hα-helixtrans-66.4-45.5176.2-178.457.1000111.9K3 H4 Q9 L10 L11 Y44K3-L7 PolarHBondContact O-N 3.41Å; K3-L7 VanDerWaalsContact O-N 3.14Å; H4-L7 CarbonylContact O-C 3.57Å; H4-L7 WeakPolarHBondContact O-CA 3.35Å; H4-L7 WeakPolarHBondContact O-CB 3.38Å; H4-L7 PolarHBondContact O-N 3.14Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.48Å; L7-L10 WeakPolarHBondContact O-CB 3.35Å; L7-L10 PolarHBondContact O-N 2.74Å; L7-L10 VanDerWaalsContact O-N 3.16Å; L7-L11 HydrophobicContact CD1-CD1 4.08Å; L7-L11 HydrophobicContact CD1-CG 4.19Å; L7-L11 HydrophobicContact CG-CD1 3.91Å; L7-L11 HydrophobicContact CG-CG 4.49Å; L7-L11 WeakPolarHBondContact O-CB 3.43Å; L7-L11 WeakPolarHBondContact O-CD1 3.44Å; L7-L11 VanDerWaalsContact O-CG 3.22Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 2.82Å; L7-Y44 HydrophobicContact CD2-CE2 4.44Å; L7-Y44 WeakPolarHBondContact CD2-OH 3.39Å
8D85.8Confident84Confident86 Ų86103.6 Ų103.646%0.4649%0.492SS..Hα-helixtrans-61.1-41.8177.7-58-35.5000111.3H4 M12H4-D8 PolarHBondContact O-N 3.27Å; H4-D8 VanDerWaalsContact O-OD2 3.07Å; D8-M12 WeakPolarHBondContact O-CB 3.44Å; D8-M12 PolarHBondContact O-N 3.44Å
9Q87.9Confident84.4Confident92 Ų92102.7 Ų102.743%0.4349%0.49SS..Hα-helixtrans-64.7-42.5173.8-175.667.54100111.9K5 L7 M12 E13K5-Q9 VanDerWaalsContact O-CB 3.31Å; K5-Q9 WeakPolarHBondContact O-CB 3.46Å; K5-Q9 PolarHBondContact O-N 3.07Å; K5-Q9 VanDerWaalsContact O-N 3.09Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.48Å; Q9-M12 VanDerWaalsContact NE2-CE 3.32Å; Q9-M12 PolarHBondContact O-N 2.97Å; Q9-E13 PolarHBondContact NE2-OE1 3.39Å; Q9-E13 PolarHBondContact O-N 2.88Å
10L89.3Confident84.9Confident112 Ų112101.6 Ų101.659%0.58649%0.486SS*.Hα-helixtrans-63-43.8178178.463.2000111.6V6 L7 M12 E13 L14V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 PolarHBondContact O-N 3.14Å; L7-L10 WeakPolarHBondContact O-CB 3.35Å; L7-L10 PolarHBondContact O-N 2.74Å; L7-L10 VanDerWaalsContact O-N 3.16Å; L10-M12 VanDerWaalsContact C-N 3.31Å; L10-M12 PolarHBondContact O-N 3.49Å; L10-E13 PolarHBondContact O-N 2.99Å; L10-L14 VanDerWaalsContact O-CB 3.32Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 PolarHBondContact O-N 3.26Å
11L91.4Very high85.2Confident32 Ų3298 Ų9817%0.16847%0.469CS..Hα-helixtrans-65.1-35.3176.7-67163.9000111.7L7 H15 L41 Y44L7-L11 HydrophobicContact CD1-CD1 4.08Å; L7-L11 HydrophobicContact CD1-CG 4.19Å; L7-L11 HydrophobicContact CG-CD1 3.91Å; L7-L11 HydrophobicContact CG-CG 4.49Å; L7-L11 WeakPolarHBondContact O-CB 3.43Å; L7-L11 WeakPolarHBondContact O-CD1 3.44Å; L7-L11 VanDerWaalsContact O-CG 3.22Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 2.82Å; L11-H15 WeakPolarHBondContact O-CB 3.34Å; L11-H15 PolarHBondContact O-N 3.27Å; L11-L41 HydrophobicContact CB-CD1 4.1Å; L11-L41 HydrophobicContact CD2-CD1 3.55Å; L11-L41 HydrophobicContact CG-CD1 4.43Å; L11-Y44 HydrophobicContact CD1-CD1 3.69Å; L11-Y44 HydrophobicContact CD1-CE1 3.25Å; L11-Y44 HydrophobicContact CD1-CE2 4.49Å; L11-Y44 HydrophobicContact CD1-CG 4.49Å; L11-Y44 HydrophobicContact CD2-CD1 4.38Å
12M91.5Very high87Confident106 Ų10693.7 Ų93.752%0.52245%0.45SS..Hα-helixtrans-68.5-45.3175.1-176.4173.463.600112.6D8 Q9 L10 H15 R16D8-M12 WeakPolarHBondContact O-CB 3.44Å; D8-M12 PolarHBondContact O-N 3.44Å; Q9-M12 VanDerWaalsContact NE2-CE 3.32Å; Q9-M12 PolarHBondContact O-N 2.97Å; L10-M12 VanDerWaalsContact C-N 3.31Å; L10-M12 PolarHBondContact O-N 3.49Å; M12-H15 WeakPolarHBondContact O-CB 3.29Å; M12-H15 PolarHBondContact O-N 3.21Å; M12-R16 PolarHBondContact O-N 3.45Å
13E93.4Very high88.3Confident76 Ų7696.9 Ų96.936%0.35546%0.456SS..Hα-helixtrans-70.6-31.9176-62.4-59.4162.400111.8Q9 L10 R16 F17Q9-E13 PolarHBondContact NE2-OE1 3.39Å; Q9-E13 PolarHBondContact O-N 2.88Å; L10-E13 PolarHBondContact O-N 2.99Å; E13-R16 WeakPolarHBondContact O-CB 3.47Å; E13-R16 PolarHBondContact O-N 2.94Å; E13-R16 IonicContact OE1-NH1 3.19Å; E13-R16 WeakPolarHBondContact OE2-CD 3.29Å; E13-R16 IonicContact OE2-CZ 3.63Å; E13-R16 IonicContact OE2-NH1 2.68Å; E13-R16 PolarHBondContact OE2-NH1 3.09Å; E13-F17 WeakPolarHBondContact O-CB 3.46Å; E13-F17 PolarHBondContact O-N 3.09Å
14L93.5Very high89.6Confident52 Ų5293 Ų9327%0.27244%0.441SS..Hα-helixtrans-62.3-45.6170.8-179.660.4000111.4L10 R16 F17 L18 L41L10-L14 VanDerWaalsContact O-CB 3.32Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 PolarHBondContact O-N 3.26Å; L14-R16 PolarHBondContact O-N 3.28Å; L14-F17 PolarHBondContact O-N 2.97Å; L14-L18 HydrophobicContact CD1-CD1 4.47Å; L14-L18 HydrophobicContact CD1-CG 4.43Å; L14-L18 HydrophobicContact CG-CD1 4.28Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 2.87Å; L14-L41 HydrophobicContact CD2-CD1 4.49Å; L14-L41 HydrophobicContact CG-CD2 4.33Å
15H93.1Very high90.3Very high77 Ų7794.7 Ų94.736%0.35646%0.459SS..Hα-helixtrans-57.7-38.7173.5-166.8-60.8000112.1L11 M12 L19 L41L11-H15 WeakPolarHBondContact O-CB 3.34Å; L11-H15 PolarHBondContact O-N 3.27Å; M12-H15 WeakPolarHBondContact O-CB 3.29Å; M12-H15 PolarHBondContact O-N 3.21Å; H15-L19 WeakPolarHBondContact ND1-CD1 3.22Å; H15-L19 WeakPolarHBondContact O-CG 3.42Å; H15-L19 PolarHBondContact O-N 3.17Å; H15-L41 HydrophobicContact CB-CD2 3.82Å
16R93.8Very high90.9Very high149 Ų14990.2 Ų90.256%0.56244%0.442SS*.Hα-helixtrans-71-38.7178.3-171.4-171.7-175.2-179.70.7112.2M12 E13 L14 L19 I20M12-R16 PolarHBondContact O-N 3.45Å; E13-R16 WeakPolarHBondContact O-CB 3.47Å; E13-R16 PolarHBondContact O-N 2.94Å; E13-R16 IonicContact OE1-NH1 3.19Å; E13-R16 WeakPolarHBondContact OE2-CD 3.29Å; E13-R16 IonicContact OE2-CZ 3.63Å; E13-R16 IonicContact OE2-NH1 2.68Å; E13-R16 PolarHBondContact OE2-NH1 3.09Å; L14-R16 PolarHBondContact O-N 3.28Å; R16-L19 PolarHBondContact O-N 2.93Å; R16-I20 WeakPolarHBondContact O-CG1 3.45Å; R16-I20 PolarHBondContact O-N 2.83Å; R16-I20 VanDerWaalsContact O-N 3.13Å
17F93.7Very high91.3Very high109 Ų10989 Ų8948%0.47844%0.438SS..Hα-helixtrans-64.1-46.2176179.1-118.8000111.4E13 L14 L19 I20 L21E13-F17 WeakPolarHBondContact O-CB 3.46Å; E13-F17 PolarHBondContact O-N 3.09Å; L14-F17 PolarHBondContact O-N 2.97Å; F17-L19 VanDerWaalsContact C-N 3.28Å; F17-L19 PolarHBondContact O-N 3.3Å; F17-I20 WeakPolarHBondContact O-CB 3.42Å; F17-I20 PolarHBondContact O-N 3.28Å; F17-L21 HydrophobicContact CD1-CD1 4.08Å; F17-L21 HydrophobicContact CE1-CD1 3.66Å; F17-L21 HydrophobicContact CE1-CG 4.4Å; F17-L21 HydrophobicContact CE2-CD1 4.4Å; F17-L21 HydrophobicContact CE2-CD2 4.22Å; F17-L21 HydrophobicContact CE2-CG 4.3Å; F17-L21 HydrophobicContact CZ-CD1 3.83Å; F17-L21 HydrophobicContact CZ-CD2 4.16Å; F17-L21 HydrophobicContact CZ-CG 4.2Å; F17-L21 WeakPolarHBondContact O-CG 3.4Å; F17-L21 PolarHBondContact O-N 2.87Å
18L94.3Very high91.4Very high10 Ų1088.6 Ų88.65%0.05245%0.448CS..Hα-helixtrans-58.1-39.1175.5-64.8167.5000112.1L14 I20 L21 D22 K34 L37 L41L14-L18 HydrophobicContact CD1-CD1 4.47Å; L14-L18 HydrophobicContact CD1-CG 4.43Å; L14-L18 HydrophobicContact CG-CD1 4.28Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 2.87Å; L18-I20 VanDerWaalsContact C-N 3.33Å; L18-I20 PolarHBondContact O-N 2.84Å; L18-L21 CarbonylContact O-C 3.56Å; L18-L21 PolarHBondContact O-N 3.25Å; L18-D22 PolarHBondContact O-N 2.84Å; L18-D22 VanDerWaalsContact O-N 3.09Å; L18-K34 HydrophobicContact CD2-CB 4.47Å; L18-K34 HydrophobicContact CD2-CG 3.76Å; L18-K34 WeakPolarHBondContact O-CE 3.45Å; L18-L37 HydrophobicContact CD2-CB 3.97Å; L18-L41 HydrophobicContact CD1-CD2 3.79Å
19L92.2Very high91.3Very high87 Ų8791 Ų9146%0.45546%0.461SS..Hα-helixtrans-69.8-20.1174-75.3171.6000115H15 R16 F17H15-L19 WeakPolarHBondContact ND1-CD1 3.22Å; H15-L19 WeakPolarHBondContact O-CG 3.42Å; H15-L19 PolarHBondContact O-N 3.17Å; R16-L19 PolarHBondContact O-N 2.93Å; F17-L19 VanDerWaalsContact C-N 3.28Å; F17-L19 PolarHBondContact O-N 3.3Å
20I93.6Very high91.3Very high79 Ų7988.4 Ų88.441%0.40546%0.456SS..Hα-helixtrans-77.9-45.7170.3-69163.7000108.6R16 F17 L18 D22 R23R16-I20 WeakPolarHBondContact O-CG1 3.45Å; R16-I20 PolarHBondContact O-N 2.83Å; R16-I20 VanDerWaalsContact O-N 3.13Å; F17-I20 WeakPolarHBondContact O-CB 3.42Å; F17-I20 PolarHBondContact O-N 3.28Å; L18-I20 VanDerWaalsContact C-N 3.33Å; L18-I20 PolarHBondContact O-N 2.84Å; I20-D22 PolarHBondContact O-N 3.12Å; I20-D22 VanDerWaalsContact O-N 3.09Å; I20-R23 WeakPolarHBondContact O-CB 3.47Å; I20-R23 PolarHBondContact O-N 3.47Å
21L92.7Very high91.4Very high26 Ų2686.7 Ų86.714%0.13645%0.45CS..THydrogen-bonded Turntrans-64.5-9.4174.2-57.6177000113.7F17 L18 L26 K34F17-L21 HydrophobicContact CD1-CD1 4.08Å; F17-L21 HydrophobicContact CE1-CD1 3.66Å; F17-L21 HydrophobicContact CE1-CG 4.4Å; F17-L21 HydrophobicContact CE2-CD1 4.4Å; F17-L21 HydrophobicContact CE2-CD2 4.22Å; F17-L21 HydrophobicContact CE2-CG 4.3Å; F17-L21 HydrophobicContact CZ-CD1 3.83Å; F17-L21 HydrophobicContact CZ-CD2 4.16Å; F17-L21 HydrophobicContact CZ-CG 4.2Å; F17-L21 WeakPolarHBondContact O-CG 3.4Å; F17-L21 PolarHBondContact O-N 2.87Å; L18-L21 CarbonylContact O-C 3.56Å; L18-L21 PolarHBondContact O-N 3.25Å; L21-L26 HydrophobicContact CB-CD1 4.24Å; L21-L26 HydrophobicContact CB-CD2 4.34Å; L21-L26 HydrophobicContact CD2-CD2 4Å; L21-K34 HydrophobicContact CB-CD 3.76Å; L21-K34 HydrophobicContact CD1-CD 4.45Å; L21-K34 HydrophobicContact CD1-CG 4.48Å; L21-K34 PolarHBondContact O-NZ 3.5Å
22D90.9Very high91.4Very high103 Ų10389.5 Ų89.555%0.55147%0.468SS*.THydrogen-bonded Turntrans-73.2-13.3166.4-79.2-37.6000113.7L18 I20 K34L18-D22 PolarHBondContact O-N 2.84Å; L18-D22 VanDerWaalsContact O-N 3.09Å; I20-D22 PolarHBondContact O-N 3.12Å; I20-D22 VanDerWaalsContact O-N 3.09Å; D22-K34 VanDerWaalsContact CA-NZ 3.31Å; D22-K34 VanDerWaalsContact OD1-CE 3.29Å; D22-K34 WeakPolarHBondContact OD1-CE 3.32Å; D22-K34 IonicContact OD1-NZ 3.02Å; D22-K34 PolarHBondContact OD1-NZ 2.92Å
23R90.8Very high91.3Very high227 Ų22789.9 Ų89.986%0.85747%0.469SS*.SBendtrans-111.60.3-175.7-55.8-176.5179-148.3-4.8113.3I20I20-R23 WeakPolarHBondContact O-CB 3.47Å; I20-R23 PolarHBondContact O-N 3.47Å
24E91.3Very high91.4Very high107 Ų10787.6 Ų87.650%0.546%0.458SS..SBendtrans-112.7149.2-174.5-66.8-179.6-179.500111.4L26E24-L26 HydrophobicContact CB-CD2 4.28Å; E24-L26 PolarHBondContact O-N 2.91Å
25T90.8Very high91.3Very high154 Ų15486.5 Ų86.595%0.94546%0.458SS*.  trans-80.883.5178.450.90000110.5
26L92.5Very high91.3Very high47 Ų4787.5 Ų87.525%0.24647%0.466CS..  trans-71.3150.1-179.7-55.3-178.7000112.6L21 E24 A30 T31 K34L21-L26 HydrophobicContact CB-CD1 4.24Å; L21-L26 HydrophobicContact CB-CD2 4.34Å; L21-L26 HydrophobicContact CD2-CD2 4Å; E24-L26 HydrophobicContact CB-CD2 4.28Å; E24-L26 PolarHBondContact O-N 2.91Å; L26-A30 HydrophobicContact CB-CB 4.13Å; L26-T31 WeakPolarHBondContact CB-OG1 3.48Å; L26-K34 HydrophobicContact CD1-CB 4.48Å; L26-K34 HydrophobicContact CD1-CD 3.46Å; L26-K34 VanDerWaalsContact CD1-CD 3.46Å
27S89.9Confident91.2Very high77 Ų7783.7 Ų83.754%0.53846%0.457SS..  trans-68.4160.7163.869.20000110.9N29 A30 T31S27-N29 VanDerWaalsContact C-N 3.31Å; S27-N29 PolarHBondContact O-N 3Å; S27-A30 PolarHBondContact O-N 2.75Å; S27-A30 VanDerWaalsContact O-N 3.12Å; S27-A30 WeakPolarHBondContact OG-CB 3.22Å; S27-A30 PolarHBondContact OG-N 2.83Å; S27-T31 PolarHBondContact O-N 3.21Å; S27-T31 PolarHBondContact O-OG1 2.93Å
28G87.7Confident91.1Very high52 Ų5280.6 Ų80.654%0.53645%0.448SS..Hα-helixtrans-54.4-45.9-179.500000112.9A30 T31 V32G28-A30 PolarHBondContact O-N 3Å; G28-T31 WeakPolarHBondContact O-CB 3.48Å; G28-T31 PolarHBondContact O-N 3.24Å; G28-V32 WeakPolarHBondContact O-CG2 3.43Å; G28-V32 PolarHBondContact O-N 2.94Å
29N82.9Confident90.9Very high137 Ų13785.2 Ų85.273%0.73347%0.473SS*.Hα-helixtrans-65.5-38.3178.7-64.16.9000112.2S27 V32 Q33S27-N29 VanDerWaalsContact C-N 3.31Å; S27-N29 PolarHBondContact O-N 3Å; N29-V32 PolarHBondContact O-N 2.99Å; N29-Q33 WeakPolarHBondContact O-CG 3.31Å; N29-Q33 PolarHBondContact O-N 3.19Å
30A87.6Confident90.8Very high38 Ų3886.4 Ų86.431%0.31448%0.479SS..Hα-helixtrans-67.8-36.8176.100000111.9L26 S27 G28 Q33 K34L26-A30 HydrophobicContact CB-CB 4.13Å; S27-A30 PolarHBondContact O-N 2.75Å; S27-A30 VanDerWaalsContact O-N 3.12Å; S27-A30 WeakPolarHBondContact OG-CB 3.22Å; S27-A30 PolarHBondContact OG-N 2.83Å; G28-A30 PolarHBondContact O-N 3Å; A30-Q33 PolarHBondContact O-N 3.1Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 3.04Å
31T92.4Very high90.7Very high75 Ų7583.7 Ų83.746%0.4647%0.466SS..Hα-helixtrans-61-44.4172.6-54.80000111.6L26 S27 G28 G35L26-T31 WeakPolarHBondContact CB-OG1 3.48Å; S27-T31 PolarHBondContact O-N 3.21Å; S27-T31 PolarHBondContact O-OG1 2.93Å; G28-T31 WeakPolarHBondContact O-CB 3.48Å; G28-T31 PolarHBondContact O-N 3.24Å; T31-G35 PolarHBondContact O-N 2.75Å
32V90.1Very high90.4Very high92 Ų9287.5 Ų87.556%0.55849%0.485SS*.Hα-helixtrans-64.2-48.9177.2172.30000111.5G28 N29 K34 G35 L36G28-V32 WeakPolarHBondContact O-CG2 3.43Å; G28-V32 PolarHBondContact O-N 2.94Å; N29-V32 PolarHBondContact O-N 2.99Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 2.59Å; V32-G35 WeakPolarHBondContact O-CA 3.47Å; V32-G35 PolarHBondContact O-N 3.34Å; V32-G35 VanDerWaalsContact O-N 3.08Å; V32-L36 HydrophobicContact CG1-CD1 4.41Å; V32-L36 PolarHBondContact O-N 2.92Å
33Q90.5Very high89.9Confident114 Ų11485.3 Ų85.353%0.53348%0.478SS..Hα-helixtrans-62.5-39.8179.6-72.3-65.6-19.100112.5N29 A30 G35 L36 L37N29-Q33 WeakPolarHBondContact O-CG 3.31Å; N29-Q33 PolarHBondContact O-N 3.19Å; A30-Q33 PolarHBondContact O-N 3.1Å; Q33-G35 VanDerWaalsContact C-N 3.32Å; Q33-G35 PolarHBondContact O-N 3.05Å; Q33-L36 PolarHBondContact O-N 3.33Å; Q33-L37 WeakPolarHBondContact O-CG 3.42Å; Q33-L37 PolarHBondContact O-N 3.4Å
34K94.9Very high89.5Confident28 Ų2878.7 Ų78.712%0.12245%0.454CS..Hα-helixtrans-60.8-39171.9175.7-171.7167.7-158.80112.4L18 L21 D22 L26 A30 V32 L37 S38L18-K34 HydrophobicContact CD2-CB 4.47Å; L18-K34 HydrophobicContact CD2-CG 3.76Å; L18-K34 WeakPolarHBondContact O-CE 3.45Å; L21-K34 HydrophobicContact CB-CD 3.76Å; L21-K34 HydrophobicContact CD1-CD 4.45Å; L21-K34 HydrophobicContact CD1-CG 4.48Å; L21-K34 PolarHBondContact O-NZ 3.5Å; D22-K34 VanDerWaalsContact CA-NZ 3.31Å; D22-K34 VanDerWaalsContact OD1-CE 3.29Å; D22-K34 WeakPolarHBondContact OD1-CE 3.32Å; D22-K34 IonicContact OD1-NZ 3.02Å; D22-K34 PolarHBondContact OD1-NZ 2.92Å; L26-K34 HydrophobicContact CD1-CB 4.48Å; L26-K34 HydrophobicContact CD1-CD 3.46Å; L26-K34 VanDerWaalsContact CD1-CD 3.46Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 3.04Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 2.59Å; K34-L37 PolarHBondContact O-N 3.06Å; K34-S38 WeakPolarHBondContact O-CB 3.25Å; K34-S38 PolarHBondContact O-N 3.16Å; K34-S38 PolarHBondContact O-OG 3.43Å
35G91.1Very high88.8Confident28 Ų2882 Ų8229%0.28946%0.462SS..Hα-helixtrans-58.4-54.8173.200000111.5T31 V32 Q33 L37 S38 D39T31-G35 PolarHBondContact O-N 2.75Å; V32-G35 WeakPolarHBondContact O-CA 3.47Å; V32-G35 PolarHBondContact O-N 3.34Å; V32-G35 VanDerWaalsContact O-N 3.08Å; Q33-G35 VanDerWaalsContact C-N 3.32Å; Q33-G35 PolarHBondContact O-N 3.05Å; G35-L37 VanDerWaalsContact C-N 3.31Å; G35-L37 PolarHBondContact O-N 2.89Å; G35-S38 WeakPolarHBondContact O-CA 3.02Å; G35-S38 WeakPolarHBondContact O-CB 3.25Å; G35-S38 PolarHBondContact O-N 3.13Å; G35-D39 PolarHBondContact O-N 3.14Å
36L93.1Very high87.8Confident98 Ų9879.8 Ų79.851%0.51345%0.449SS..Hα-helixtrans-56.6-41.3178.4-63.3172.9000112.8V32 Q33 S38 L40V32-L36 HydrophobicContact CG1-CD1 4.41Å; V32-L36 PolarHBondContact O-N 2.92Å; Q33-L36 PolarHBondContact O-N 3.33Å; L36-S38 VanDerWaalsContact C-N 3.34Å; L36-L40 VanDerWaalsContact O-CB 3.32Å; L36-L40 WeakPolarHBondContact O-CB 3.49Å; L36-L40 PolarHBondContact O-N 2.94Å
37L92.1Very high86Confident70 Ų7082.3 Ų82.337%0.36647%0.47SS..Hα-helixtrans-66.5-33.3174.9-72.9170.3000112.9L18 Q33 K34 G35 L41L18-L37 HydrophobicContact CD2-CB 3.97Å; Q33-L37 WeakPolarHBondContact O-CG 3.42Å; Q33-L37 PolarHBondContact O-N 3.4Å; K34-L37 PolarHBondContact O-N 3.06Å; G35-L37 VanDerWaalsContact C-N 3.31Å; G35-L37 PolarHBondContact O-N 2.89Å; L37-L41 VanDerWaalsContact O-CB 3.24Å; L37-L41 WeakPolarHBondContact O-CB 3.14Å; L37-L41 PolarHBondContact O-N 2.93Å
38S91.9Very high84.1Confident44 Ų4483.2 Ų83.231%0.30848%0.476SS..Hα-helixtrans-71.6-42.8176.9-55.60000111.4K34 G35 L36 L41 L42K34-S38 WeakPolarHBondContact O-CB 3.25Å; K34-S38 PolarHBondContact O-N 3.16Å; K34-S38 PolarHBondContact O-OG 3.43Å; G35-S38 WeakPolarHBondContact O-CA 3.02Å; G35-S38 WeakPolarHBondContact O-CB 3.25Å; G35-S38 PolarHBondContact O-N 3.13Å; L36-S38 VanDerWaalsContact C-N 3.34Å; S38-L41 PolarHBondContact O-N 2.78Å; S38-L42 WeakPolarHBondContact O-CB 3.34Å; S38-L42 PolarHBondContact O-N 3.16Å
39D90.3Very high82.3Confident106 Ų10684.2 Ų84.257%0.56749%0.486SS*.Hα-helixtrans-65.3-41.3176.7-68-31.2000111.7G35 L42 S43G35-D39 PolarHBondContact O-N 3.14Å; D39-L42 PolarHBondContact O-N 3.05Å; D39-S43 WeakPolarHBondContact O-CB 3.45Å; D39-S43 PolarHBondContact O-N 3.09Å
40L90.3Very high80.4Confident113 Ų11381 Ų8159%0.59249%0.485SS*.Hα-helixtrans-65.4-40.2175.5-177.663.6000112.5L36 L42 S43 Y44L36-L40 VanDerWaalsContact O-CB 3.32Å; L36-L40 WeakPolarHBondContact O-CB 3.49Å; L36-L40 PolarHBondContact O-N 2.94Å; L40-L42 VanDerWaalsContact C-N 3.33Å; L40-S43 PolarHBondContact O-N 3Å; L40-S43 PolarHBondContact O-OG 2.96Å; L40-Y44 PolarHBondContact O-N 3.29Å; L40-Y44 VanDerWaalsContact O-N 3.14Å
41L90.3Very high78.2Confident22 Ų2287.2 Ų87.212%0.11551%0.513CS..Hα-helixtrans-67.4-35.4175.6-178.560000111.9L11 L14 H15 L18 L37 S38 R45L11-L41 HydrophobicContact CB-CD1 4.1Å; L11-L41 HydrophobicContact CD2-CD1 3.55Å; L11-L41 HydrophobicContact CG-CD1 4.43Å; L14-L41 HydrophobicContact CD2-CD1 4.49Å; L14-L41 HydrophobicContact CG-CD2 4.33Å; H15-L41 HydrophobicContact CB-CD2 3.82Å; L18-L41 HydrophobicContact CD1-CD2 3.79Å; L37-L41 VanDerWaalsContact O-CB 3.24Å; L37-L41 WeakPolarHBondContact O-CB 3.14Å; L37-L41 PolarHBondContact O-N 2.93Å; S38-L41 PolarHBondContact O-N 2.78Å; L41-R45 PolarHBondContact O-N 3.18Å
42L86.6Confident76.3Confident105 Ų10592.5 Ų92.555%0.5553%0.533SS..Hα-helixtrans-68.9-43.4174.3-17661.4000111.6S38 D39 L40 Y44 R45 T46S38-L42 WeakPolarHBondContact O-CB 3.34Å; S38-L42 PolarHBondContact O-N 3.16Å; D39-L42 PolarHBondContact O-N 3.05Å; L40-L42 VanDerWaalsContact C-N 3.33Å; L42-Y44 PolarHBondContact O-N 3.38Å; L42-R45 WeakPolarHBondContact O-CB 3.43Å; L42-R45 PolarHBondContact O-N 3.36Å; L42-R45 VanDerWaalsContact O-N 3.09Å; L42-T46 PolarHBondContact O-N 3.28Å; L42-T46 PolarHBondContact O-OG1 2.84Å
43S82Confident74.1Confident58 Ų5896.3 Ų96.341%0.40655%0.545SS..Hα-helixtrans-64-41.6-178.774.70000112.2D39 L40 R45 T46 S47D39-S43 WeakPolarHBondContact O-CB 3.45Å; D39-S43 PolarHBondContact O-N 3.09Å; L40-S43 PolarHBondContact O-N 3Å; L40-S43 PolarHBondContact O-OG 2.96Å; S43-R45 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 3.2Å; S43-T46 WeakPolarHBondContact CA-OG1 3.16Å; S43-T46 PolarHBondContact O-N 3.04Å; S43-T46 PolarHBondContact O-OG1 2.93Å; S43-S47 WeakPolarHBondContact O-CB 3.44Å; S43-S47 PolarHBondContact O-N 2.93Å
44Y81.6Confident71.8Confident88 Ų88101.9 Ų101.935%0.34556%0.563SS.*Hα-helixtrans-56.7-46.1169.9-177-85000111.5L7 L11 L40 L42 T46 S47 S48L7-Y44 HydrophobicContact CD2-CE2 4.44Å; L7-Y44 WeakPolarHBondContact CD2-OH 3.39Å; L11-Y44 HydrophobicContact CD1-CD1 3.69Å; L11-Y44 HydrophobicContact CD1-CE1 3.25Å; L11-Y44 HydrophobicContact CD1-CE2 4.49Å; L11-Y44 HydrophobicContact CD1-CG 4.49Å; L11-Y44 HydrophobicContact CD2-CD1 4.38Å; L40-Y44 PolarHBondContact O-N 3.29Å; L40-Y44 VanDerWaalsContact O-N 3.14Å; L42-Y44 PolarHBondContact O-N 3.38Å; Y44-T46 VanDerWaalsContact C-N 3.31Å; Y44-T46 PolarHBondContact O-N 2.95Å; Y44-S47 PolarHBondContact O-N 2.84Å; Y44-S47 VanDerWaalsContact O-N 3.13Å; Y44-S48 PolarHBondContact O-N 3.2Å
45R76.4Confident69.1Low175 Ų175107.2 Ų107.266%0.6659%0.591SS**Hα-helixtrans-65.7-32.1-179.6-156.2177.4-157.4160.28.4112.9L41 L42 S43L41-R45 PolarHBondContact O-N 3.18Å; L42-R45 WeakPolarHBondContact O-CB 3.43Å; L42-R45 PolarHBondContact O-N 3.36Å; L42-R45 VanDerWaalsContact O-N 3.09Å; S43-R45 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 3.2Å
46T70.2Confident66.4Low109 Ų109115 Ų11567%0.66961%0.613SS**Hα-helixtrans-78-23.2172.850.40000113.9L42 S43 Y44L42-T46 PolarHBondContact O-N 3.28Å; L42-T46 PolarHBondContact O-OG1 2.84Å; S43-T46 WeakPolarHBondContact CA-OG1 3.16Å; S43-T46 PolarHBondContact O-N 3.04Å; S43-T46 PolarHBondContact O-OG1 2.93Å; Y44-T46 VanDerWaalsContact C-N 3.31Å; Y44-T46 PolarHBondContact O-N 2.95Å
47S54.8Low63.7Low99 Ų99118.6 Ų118.669%0.69263%0.629SS**Hα-helixtrans-83-13.9179.2-168.40000113.9S43 Y44 G49S43-S47 WeakPolarHBondContact O-CB 3.44Å; S43-S47 PolarHBondContact O-N 2.93Å; Y44-S47 PolarHBondContact O-N 2.84Å; Y44-S47 VanDerWaalsContact O-N 3.13Å; S47-G49 PolarHBondContact O-N 2.8Å; S47-G49 VanDerWaalsContact O-N 3.07Å
48S49Very low61Low96 Ų96121.2 Ų121.267%0.67164%0.643SS**SBendtrans-84.741.1-173.6-173.60000113.7Y44Y44-S48 PolarHBondContact O-N 3.2Å
49G51.3Low58.5Low73 Ų73128 Ų12875%0.75367%0.667SS**  trans-158.176-177.200000113.1S47S47-G49 PolarHBondContact O-N 2.8Å; S47-G49 VanDerWaalsContact O-N 3.07Å
50G42.1Very low55.5Low69 Ų69129.6 Ų129.671%0.71168%0.681SS**SBendtrans179.681.1179.600000113.7
51D41.6Very low52.9Low169 Ų169130.5 Ų130.590%0.90469%0.691SS**  trans57153.5155.2-59.7-16.9000122.8
52E52.6Low50Low187 Ų187135.9 Ų135.987%0.87472%0.724SS**  trans-108.4114.6-177.9-54.6177.8132.100110.2
53E42.8Very low47.2Very low171 Ų171136.5 Ų136.580%0.79974%0.737SS**  trans-142.392.4163.3-163.5166.9-148.700112.8I55E53-I55 HydrophobicContact CG-CG1 4.17Å; E53-I55 PolarHBondContact O-N 3.02Å
54Y42Very low44.7Very low232 Ų232137.2 Ų137.291%0.9175%0.753SS**  trans-84.289.4173.7-84.5-85.8000111.3Y56Y54-Y56 PolarHBondContact O-N 2.87Å
55I38.3Very low42.2Very low139 Ų139143.1 Ų143.171%0.71378%0.781SS**  trans-74.694.9167.9-58.2-175.5000109.7E53E53-I55 HydrophobicContact CG-CG1 4.17Å; E53-I55 PolarHBondContact O-N 3.02Å
56Y36Very low40Very low193 Ų193138.3 Ų138.376%0.75779%0.786SS**  trans-86.4120.8171.8-178.1-85.5000110.7Y54 N58Y54-Y56 PolarHBondContact O-N 2.87Å; Y56-N58 HydrophobicContact CE1-CB 4.37Å
57M35.8Very low38.2Very low173 Ų173141.7 Ų141.785%0.85279%0.791SS**  trans-136.5131170.5-89-68.4-174.500111.1
58N34.2Very low37Very low124 Ų124142.5 Ų142.566%0.66379%0.788SS**  trans-137.3157.9169.4-161.31.3000109.9Y56Y56-N58 HydrophobicContact CE1-CB 4.37Å
59K39.4Very low36.2Very low186 Ų186144 Ų14481%0.80979%0.789SS**  trans-73.2143.3-153.7-54.4179.2-177.3-177.90115.6
60V28.7Very low35.3Very low140 Ų140149.6 Ų149.685%0.84879%0.792SS**  trans-138.4149.7144.8-177.50000108.5
61V35Very low34.7Very low132 Ų132150.6 Ų150.680%0.879%0.794SS**  trans-119.1127.4179.6176.30000110.2
62V29.3Very low34.1Very low136 Ų136150.3 Ų150.382%0.82479%0.792SS**  trans-142.3140.9161.6-177.60000110.8
63S28.3Very low33.1Very low118 Ų118149 Ų14983%0.82579%0.791SS**  trans-56.2156.9176.3-174.90000115.2
64G29Very low32.8Very low72 Ų72148.3 Ų148.374%0.74279%0.788SS**  trans-162.8-5.9-175.200000123.8
65K29.7Very low32.2Very low213 Ų213144.6 Ų144.693%0.92678%0.783SS**  trans36.7105.8159.9-176.8-168.5178.5179.90119.3
66G29.6Very low31.7Very low74 Ų74143.7 Ų143.776%0.76378%0.779SS**  trans164.1105.3152.700000120.7
67K31.9Very low31.5Very low180 Ų180137.4 Ų137.478%0.78377%0.767SS**  trans46.9124.5139.7-81.4-178.4150.6-80.50123.4
68D29.5Very low31.2Very low116 Ų116138.1 Ų138.162%0.6277%0.766SS**  74.6146.9126.1-52.1-16.1000123.8
69D33.8Very low31.1Very low128 Ų128137.7 Ų137.768%0.68477%0.768SS**  trans68.699.5156.1-73.5-46.6000123.2
70K30.8Very low30.7Very low189 Ų189136.3 Ų136.382%0.82277%0.769SS**  64.5156.9114.9-74.8-176.3177.1-178.40123.2
71A30.5Very low30.7Very low91 Ų91132.9 Ų132.975%0.75276%0.762SS**  trans71.9129162.300000114.9
72D28.6Very low30.8Very low163 Ų163136.5 Ų136.587%0.87277%0.767SS**  cis57.883.515.3-100.214.7000113.9
73D32.8Very low31.1Very low160 Ų160134.4 Ų134.486%0.85676%0.764SS**  -162.4164.695.2-141.9-29000112.7
74H35.6Very low31.4Very low156 Ų156132.9 Ų132.972%0.72276%0.759SS**  trans-125.3117.3179158.9-69.7000111.4
75L29Very low31.8Very low154 Ų154138.2 Ų138.281%0.80676%0.762SS**  trans-156.5142.1166.8-80.4-178.8000108.5
76D28.7Very low31.8Very low120 Ų120137.9 Ų137.964%0.64276%0.76SS**  cis-168.2-171.5-8-165.46.8000109.7
77A31.7Very low31.9Very low61 Ų61140.3 Ų140.350%0.50476%0.76SS.*  trans86.6101.3136.700000122.8
78F28.5Very low32.6Very low187 Ų187137 Ų13782%0.8276%0.757SS**  65166.1127.1-58-53.1000122.2
79V33.1Very low32.5Very low115 Ų115137.8 Ų137.870%0.69777%0.766SS**  -170.1158.2-52.1120.20000110.5
80N31.3Very low33.2Very low158 Ų158136.7 Ų136.785%0.84577%0.766SS**  trans70.8155.9171.2-88.5-40.1000118.4
81G28.9Very low33.6Very low68 Ų68136.1 Ų136.170%0.70177%0.766SS**  cis-172.1-170.43.800000117
82K35.4Very low33.8Very low207 Ų207140.7 Ų140.790%0.977%0.769SS**  trans-75.1171.6-171.6-70.8163.2-178.9164.50115.2
83A35.6Very low34Very low92 Ų92139.6 Ų139.676%0.7676%0.763SS**  cis178.7171.6-27.100000111.9
84A34.7Very low34.1Very low87 Ų87138.9 Ų138.972%0.71976%0.759SS**  trans97116.3143.300000124.7
85K39.3Very low34.8Very low184 Ų184137.1 Ų137.180%0.876%0.761SS**  trans63.1134.1131.5-62-179.5179.1-174.20123.4
86F28.3Very low35Very low205 Ų205136 Ų13690%0.89976%0.756SS**  -176.5159.5109-103-71.8000113.6
87V33Very low35.3Very low126 Ų126136.8 Ų136.876%0.76476%0.759SS**  trans-157.8134.8-174.2166.70000108
88P45.1Very low35.6Very low111 Ų111139.9 Ų139.972%0.72177%0.774SS**  -165.4146.191.542.1-19.1000122.3
89V27.5Very low37Very low132 Ų132136 Ų13680%0.877%0.768SS**  58.2150.7124.7-177.50000121.7
90P48.6Very low37.4Very low105 Ų105135.9 Ų135.968%0.68277%0.769SS**  cis-142168.8-29.742.5-23.1000120.3
91Q40.4Very low37.7Very low177 Ų177139.5 Ų139.583%0.82777%0.771SS**  trans37.9136.3142.7-64.4-177.7-2500128.3
92K34.6Very low37.9Very low186 Ų186142.9 Ų142.981%0.80978%0.778SS**  166.9128.2117.4-92172.5-179.2176.50120.4
93N31.3Very low37.5Very low140 Ų140136.7 Ų136.775%0.74977%0.773SS**  trans62.4121137.1-59.41.3000130.3
94L36Very low37.2Very low146 Ų146139.4 Ų139.476%0.76478%0.78SS**  47.9168.4129.8-98.874000124.9
95P49.7Very low37Very low119 Ų119141.8 Ų141.877%0.77379%0.785SS**  cis-145.1-163.128.545.9-23.8000120.1
96D33.8Very low36.5Very low130 Ų130136.1 Ų136.170%0.69578%0.779SS**  trans-139.7-174-164.6-35.3-104.5000112.5
97L35.3Very low36.6Very low137 Ų137138.2 Ų138.272%0.71778%0.781SS**  cis-172.7149.1-7.9-135.5175.9000111P99L97-P99 HydrophobicContact CD2-CG 4.32Å
98P38.1Very low36.4Very low126 Ų126138.9 Ų138.982%0.81878%0.776SS**  trans-128.8105.9164.336.3-21.4000117.8
99P57.9Low36.1Very low105 Ų105139.2 Ų139.268%0.68278%0.778SS**  trans-132.1139.2-178.538.4-23.5000118.3L97L97-P99 HydrophobicContact CD2-CG 4.32Å
100P40.4Very low36.3Very low112 Ų112141 Ų14173%0.72778%0.776SS**  trans-145.6130.8-179.938.2-18000121.6
101R37.2Very low36.1Very low235 Ų235141.2 Ų141.289%0.88778%0.777SS**  trans65.8163.9138.6-58.7-178.2-177.7174.90.8121.3
102T34.1Very low35.4Very low138 Ų138140.2 Ų140.285%0.84778%0.777SS**  cis-169.6145.9-3536.60000111.5
103G27.2Very low35.6Very low77 Ų77137.2 Ų137.279%0.79478%0.776SS**  trans153.6171.6163.900000115.7
104V29.3Very low35.9Very low149 Ų149135.4 Ų135.490%0.90377%0.772SS**  cis-161.2-161.1-2190.70000112.4
105V30.8Very low35.4Very low137 Ų137136.1 Ų136.183%0.8378%0.775SS**  trans-72.3155.5-172.8172.70000116.2
106G27.7Very low34.7Very low66 Ų66136.3 Ų136.368%0.6878%0.776SS**  cis150.4157.8-11.200000117.3
107R30.7Very low34.3Very low249 Ų249134.4 Ų134.494%0.9478%0.778SS**  trans77.8163.2161.9-83.9-76.5-179.6-171.2-1.2123.3
108E28.8Very low34.7Very low139 Ų139133.8 Ų133.865%0.6578%0.783SS**  trans-144.7149-168.8174.6-117.2141.500109.5
109P38.9Very low34.2Very low119 Ų119132.1 Ų132.177%0.77378%0.779SS**  -158.6168.512340.5-21.1000119.8
110F31.8Very low32.7Very low169 Ų169133 Ų13374%0.74179%0.787SS**  trans-87.7177.7162.3-96.8-82.2000112.8
111P44.8Very low32Very low109 Ų109135.4 Ų135.471%0.70879%0.791SS**  cis-159.8174.74644.6-21.2000122.5
112L24.2Very low31.6Very low157 Ų157131.2 Ų131.282%0.82279%0.787SS**  trans43.1154.3144.8-63.9174.1000122.9
113P39.1Very low32Very low122 Ų122129.5 Ų129.579%0.79278%0.778SS**  cis-144.8-16937.140.3-16.6000118.5
114P38.8Very low32.1Very low103 Ų103131.5 Ų131.567%0.66978%0.78SS**  trans-132.6-177.6-17143.9-29000119.5
115I25.4Very low32Very low160 Ų160133.7 Ų133.782%0.82178%0.78SS**  trans83.6142.7158.9-76.8163.4000118.3
116P35.3Very low31.8Very low124 Ų124132.4 Ų132.481%0.80578%0.777SS**  cis-139.3-164.23144-23.6000118.9
117A24.3Very low31.9Very low89 Ų89138.3 Ų138.374%0.73678%0.78SS**  trans-117.7-163.9170.800000110
118P44.9Very low32Very low125 Ų125134.9 Ų134.981%0.81277%0.768SS**  cis-143-161.61.141.3-18.3000116.5
119A26.6Very low32.3Very low90 Ų90134.9 Ų134.974%0.74477%0.768SS**  trans96.7112.1141.300000124.2
120C25.3Very low32.1Very low124 Ų124137.7 Ų137.784%0.83877%0.771SS**  80.1164.9121.2-148.50000122.6
121I27.4Very low32.2Very low162 Ų162134.1 Ų134.183%0.83177%0.773SS**  trans92.6105.7163.7-49.9-180000118.2
122D27.4Very low31.7Very low148 Ų148137.9 Ų137.979%0.79178%0.781SS**  trans-99.4163.8152.1-167.850.9000106.7
123P43.7Very low32.7Very low101 Ų101136 Ų13666%0.65678%0.778SS**  cis-137.7-172.113.245.2-28000115.6
124S28Very low32.2Very low119 Ų119139.8 Ų139.883%0.83278%0.778SS**  178.8155.2126.334.40000114.1
125E27.9Very low31.7Very low196 Ų196142.3 Ų142.392%0.91678%0.781SS**  trans-85.7167.9-178.3-52.6164.5106.900113.3
126S27Very low31.8Very low109 Ų109141.9 Ų141.976%0.76278%0.776SS**  171.3140.3118.9-166.30000115.1
127Y29.7Very low31.4Very low190 Ų190141 Ų14175%0.74577%0.768SS**  trans73.6111.3149-121-115.2000123.4
128Y32.8Very low31.5Very low177 Ų177142.3 Ų142.369%0.69477%0.767SS**  48.3154.3111.5-105.1-134.3000120.9
129E35.8Very low30.5Very low139 Ų139143.1 Ų143.165%0.6576%0.764SS**  cis-156155.515.8-168.9157.9-152.800113
130E34Very low30.4Very low179 Ų179145.6 Ų145.684%0.83677%0.765SS**  trans11.8135.2155.4-161171-127.200123.7
131A33.9Very low30.3Very low93 Ų93147.3 Ų147.377%0.76977%0.765SS**  159.3141.6116.200000116.5
132Q35.2Very low30.2Very low189 Ų189143.7 Ų143.788%0.88376%0.76SS**  trans-145.1153.1156.6-93.2-155.2-13.100109.8
133P44.1Very low30Very low118 Ų118147.7 Ų147.777%0.76676%0.764SS**  -149.7137.6123.934.6-17000117.4
134Y28.1Very low29.1Very low201 Ų201148.8 Ų148.879%0.78877%0.774SS**  trans53.4121.3136.3-88.2-112.6000123.6
135E28.5Very low28.9Very low155 Ų155146.7 Ų146.772%0.72477%0.771SS**  57.7159128.3-56.5-63.6175.200120.7
136E27.3Very low28.9Very low152 Ų152145.4 Ų145.471%0.7177%0.769SS**  cis-155158.97.9-143.1-173.4151.400112.2
137T27.8Very low28.8Very low104 Ų104148.4 Ų148.464%0.63878%0.776SS**  trans68133152.945.70000125.6
138T25.7Very low28.5Very low118 Ų118144.7 Ų144.772%0.72478%0.778SS**  trans70.814114957.90000119.2
139N25.1Very low28.3Very low141 Ų141144.2 Ų144.275%0.75478%0.782SS**  cis-161.7153.432.1-126.9-17.8000115.4
140D23.3Very low28.7Very low143 Ų143142.4 Ų142.477%0.76578%0.782SS**  trans50.6149.4141.7-119.8-23.2000127.2
141L24.1Very low28.3Very low159 Ų159144.6 Ų144.683%0.83278%0.783SS**  trans89154.6145.6-151.757.9000123.7
142A24.8Very low27.9Very low87 Ų87145.8 Ų145.872%0.71978%0.781SS**  trans73.4118.3175.400000117
143R22.8Very low27.6Very low232 Ų232147.6 Ų147.688%0.87578%0.78SS**  cis98.8111.340.4180-176.2-74.1171.6-2.7112.1
144S24.7Very low26.7Very low123 Ų123147.7 Ų147.786%0.8678%0.778SS**  trans30.1129.9153.9-49.90000121.3
145G24.1Very low26.8Very low76 Ų76145.5 Ų145.578%0.78478%0.779SS**  trans177.175.4165.600000116.5
146L28.2Very low26.6Very low168 Ų168142.9 Ų142.988%0.8878%0.778SS**  trans5.1127.7156.1-59.2166.3000119.6
147L24.1Very low27Very low173 Ų173141.5 Ų141.591%0.90679%0.785SS**  171122.2108.4-90.9166.1000110.6
148S23.8Very low27.2Very low112 Ų112143.8 Ų143.878%0.78379%0.793SS**  trans-161.4120.5166.4-164.70000110.4
149E29.3Very low27.6Very low166 Ų166143.5 Ų143.578%0.77680%0.795SS**  trans-162152.6-178.2-96.9-72.1115.800106
150P43.1Very low28.1Very low101 Ų101138.6 Ų138.666%0.65677%0.77SS**  cis-120.5171.9-45.531.4-15.9000111.6
151W26.5Very low29Very low226 Ų226135.3 Ų135.386%0.85676%0.755SS**  trans-99134.1-178.3-7949.9000113.3R153W151-R153 PolarHBondContact O-N 2.82Å
152T25.1Very low29.5Very low118 Ų118135 Ų13572%0.72474%0.744SS**  trans-70.5123.3177.2-52.10000112.3V154T152-V154 PolarHBondContact O-N 2.72Å
153R28.1Very low30Very low227 Ų227132 Ų13286%0.85772%0.718SS**  trans-75.9107.7166.4-95.5-170.5-80.1178.5-6.5110.5W151W151-R153 PolarHBondContact O-N 2.82Å
154V27Very low30.4Very low119 Ų119125.4 Ų125.472%0.72170%0.704SS**  trans-91.2111.4162.1179.40000108.3T152T152-V154 PolarHBondContact O-N 2.72Å
155L28.4Very low30.9Very low156 Ų156122 Ų12282%0.81768%0.675SS**  trans-85.8117.2160.7-8679.5000108.5
156S25.6Very low31.1Very low100 Ų100124.1 Ų124.170%0.69967%0.673SS**  trans-116.9142.5154.1-74.60000107.8D158S156-D158 PolarHBondContact O-N 3.39Å
157S34.7Very low31.3Very low123 Ų123118.8 Ų118.886%0.8666%0.659SS**SBendtrans-75.686.4177.4-57.60000110.8
158D33.1Very low31.9Very low152 Ų152118.7 Ų118.781%0.81366%0.659SS**SBendtrans-168.3144144-94-26.8000109S156 V160S156-D158 PolarHBondContact O-N 3.39Å; D158-V160 VanDerWaalsContact C-N 3.28Å; D158-V160 PolarHBondContact O-N 3.19Å
159C32.9Very low32.4Very low111 Ų111120.8 Ų120.875%0.7566%0.662SS**  trans-82.333.2-152.665.90000117.1
160V37Very low32.8Very low39 Ų39116.5 Ų116.524%0.23666%0.662CS.*  trans-93.5112.9-177.4-176.20000111.7D158 Y162D158-V160 VanDerWaalsContact C-N 3.28Å; D158-V160 PolarHBondContact O-N 3.19Å; V160-Y162 HydrophobicContact CB-CD2 4.38Å; V160-Y162 HydrophobicContact CB-CE2 4Å; V160-Y162 HydrophobicContact CG1-CD2 3.99Å; V160-Y162 HydrophobicContact CG1-CE2 3.71Å; V160-Y162 WeakPolarHBondContact O-CD2 3.31Å; V160-Y162 PolarHBondContact O-N 3.26Å
161V41.1Very low32.6Very low74 Ų74119.6 Ų119.645%0.44867%0.673SS.*EExtended strand (participates in β ladder)trans-82.9101.6175.4-178.10000110.8A163V161-A163 PolarHBondContact O-N 3.07Å; V161-A163 VanDerWaalsContact O-N 3.17Å
162Y35.3Very low33.4Very low153 Ų153113 Ų11360%0.667%0.667SS**EExtended strand (participates in β ladder)trans-76.893.9177.1-76.8-97.5000112.6V160 V164 M207V160-Y162 HydrophobicContact CB-CD2 4.38Å; V160-Y162 HydrophobicContact CB-CE2 4Å; V160-Y162 HydrophobicContact CG1-CD2 3.99Å; V160-Y162 HydrophobicContact CG1-CE2 3.71Å; V160-Y162 WeakPolarHBondContact O-CD2 3.31Å; V160-Y162 PolarHBondContact O-N 3.26Å; Y162-V164 VanDerWaalsContact C-N 3.35Å; Y162-V164 PolarHBondContact O-N 2.69Å; Y162-V164 VanDerWaalsContact O-N 3.12Å; Y162-M207 HydrophobicContact CD1-CE 4Å; Y162-M207 HydrophobicContact CE1-CE 3.4Å; Y162-M207 VanDerWaalsContact CE1-CE 3.4Å
163A34.3Very low33.7Very low22 Ų22114.5 Ų114.518%0.18268%0.675CS.*  trans-8375.4168.600000111.2V161 I165 A214V161-A163 PolarHBondContact O-N 3.07Å; V161-A163 VanDerWaalsContact O-N 3.17Å; A163-I165 PolarHBondContact O-N 3.36Å; A163-A214 HydrophobicContact CB-CB 4.39Å
164V32.6Very low34Very low95 Ų95109 Ų10958%0.57667%0.672SS**  trans-66.7127.5178.9-179.20000110.7Y162 T166Y162-V164 VanDerWaalsContact C-N 3.35Å; Y162-V164 PolarHBondContact O-N 2.69Å; Y162-V164 VanDerWaalsContact O-N 3.12Å; V164-T166 HydrophobicContact CG1-CG2 4.5Å
165I35.2Very low34.3Very low50 Ų50109.1 Ų109.126%0.25668%0.678SS.*  trans-10991.8177.5-54.5-178.9000109A163 G167 F215 Q288A163-I165 PolarHBondContact O-N 3.36Å; I165-G167 PolarHBondContact O-N 2.99Å; I165-G167 VanDerWaalsContact O-N 3.17Å; I165-F215 WeakPolarHBondContact CD1-O 3.44Å; I165-Q288 VanDerWaalsContact CG1-OE1 3.25Å
166T27.8Very low34.7Very low121 Ų121106.9 Ų106.974%0.74268%0.675SS**  trans-73.997.1161.549.40000108.3V164 D168V164-T166 HydrophobicContact CG1-CG2 4.5Å; T166-D168 PolarHBondContact O-N 3.5Å
167G32.5Very low35.1Very low57 Ų57111.4 Ų111.459%0.58868%0.678SS**  trans-73.6106.1170.900000110I165 D169I165-G167 PolarHBondContact O-N 2.99Å; I165-G167 VanDerWaalsContact O-N 3.17Å; G167-D169 VanDerWaalsContact C-N 3.34Å; G167-D169 PolarHBondContact O-N 3.29Å; G167-D169 VanDerWaalsContact O-N 3.14Å
168D35.7Very low35Very low170 Ų170114 Ų11491%0.90968%0.677SS**  trans-71.394.4159.5-173.347.8000107.2T166T166-D168 PolarHBondContact O-N 3.5Å
169D36.2Very low35.1Very low157 Ų157112.1 Ų112.184%0.8468%0.676SS**  trans-134.272.6-177.3-156.114.2000107.7G167 D171G167-D169 VanDerWaalsContact C-N 3.34Å; G167-D169 PolarHBondContact O-N 3.29Å; G167-D169 VanDerWaalsContact O-N 3.14Å; D169-D171 PolarHBondContact O-N 3Å
170G37.3Very low35.4Very low75 Ų75117.1 Ų117.177%0.77368%0.68SS**  trans-91.396.1-178.200000111.5
171D39.3Very low35.6Very low166 Ų166122 Ų12289%0.88871%0.705SS**  trans-145.3153.2152.3-134.4-28.2000111.4D169D169-D171 PolarHBondContact O-N 3Å
172A42.5Very low35.4Very low87 Ų87126.9 Ų126.972%0.71972%0.723SS**  trans-112.3141.4-161.500000114.1
173V30.9Very low35.6Very low150 Ų150128.9 Ų128.991%0.90974%0.738SS**  trans-143.7137.8148.6-102.40000109.7
174S34.5Very low35.9Very low112 Ų112137 Ų13778%0.78377%0.772SS**  trans-80.7144.8176.6-176.70000111.2
175S33Very low36.3Very low121 Ų121138.7 Ų138.785%0.84678%0.783SS**  trans-14984.9156.767.70000110.3
176S38.2Very low36.4Very low109 Ų109143.4 Ų143.476%0.76281%0.814SS**  trans-120.6145.4163.4-74.70000108.8
177Y34Very low36.8Very low195 Ų195148.6 Ų148.677%0.76582%0.82SS**  trans74.7103.8166.7-138.1-102.3000117.3
178E32.7Very low36.8Very low177 Ų177154.9 Ų154.983%0.82783%0.834SS**  -165.8173107.9-109.1-176.1-179.500111.3
179S34.6Very low36.7Very low114 Ų114156.2 Ų156.280%0.79783%0.832SS**  trans80.370.4-173.1-1580000116.1
180Y38.1Very low36.7Very low215 Ų215154.6 Ų154.684%0.84383%0.833SS**  -94.5127.9127.9-90.2-88.8000106.8
181D41.6Very low36.8Very low142 Ų142156.9 Ų156.976%0.75983%0.834SS**  trans-155156.4158-146.8-7.3000112.3
182E37.2Very low36.3Very low177 Ų177154.3 Ų154.383%0.82783%0.829SS**  trans50.7109.9173.4-54.4-156.8151.700119.3
183E39.2Very low35.7Very low194 Ų194154.7 Ų154.791%0.90783%0.832SS**  trans-81.2126.6160.7-51.8177-162.600109.9
184E40.4Very low35.8Very low193 Ų193155.8 Ų155.890%0.90283%0.827SS**  trans-157.9157.1139.7-122.4-176.9-170.400115.1
185V41.2Very low35.7Very low131 Ų131159 Ų15979%0.79483%0.83SS**  trans-76137.2-166.7-88.80000115.1
186T37.4Very low35.4Very low148 Ų148160.9 Ų160.991%0.90883%0.825SS**  -152152.7129.87.80000111.4
187R37.2Very low34.9Very low230 Ų230166.4 Ų166.487%0.86883%0.829SS**  trans-87.2137.8176.8-58.7172.5174.2172.5-2.3110
188E31.7Very low34.9Very low190 Ų190160.8 Ų160.889%0.88882%0.816SS**  -174.2-176.899.7-98.2177.5-163.800111.4
189K34.3Very low35.2Very low198 Ų198154.8 Ų154.886%0.86179%0.794SS**  trans-145.9115.1-143.5-179.2175.5-178.9172.70114.9
190S36.2Very low36.1Very low123 Ų123152.8 Ų152.886%0.8678%0.784SS**  trans-168161.7150.5-87.20000112.2
191P38.7Very low36.8Very low122 Ų122149.1 Ų149.179%0.79278%0.775SS**  trans-119.8179.5-154.342.7-32.3000116.3
192S29.2Very low37.4Very low112 Ų112143.5 Ų143.578%0.78375%0.749SS**  trans8084161.3-154.40000118.2
193A29.5Very low38.5Very low95 Ų95136.6 Ų136.679%0.78572%0.72SS**  trans-12786.6144.900000107.6H195A193-H195 PolarHBondContact O-N 2.71Å
194Q32.2Very low39.7Very low174 Ų174132.1 Ų132.181%0.81370%0.701SS**  trans-63.6126.3-179.9-177.5174.3-7.700109.7Q196Q194-Q196 VanDerWaalsContact C-N 3.25Å; Q194-Q196 PolarHBondContact O-N 2.95Å
195H32.3Very low41.3Very low180 Ų180128.5 Ų128.583%0.83368%0.684SS**  trans-67.685.2173.5-83.9-81.3000110.2A193 W197A193-H195 PolarHBondContact O-N 2.71Å; H195-W197 PolarHBondContact O-N 2.99Å; H195-W197 VanDerWaalsContact O-N 3.1Å
196Q27Very low43Very low160 Ų160123 Ų12375%0.74865%0.65SS**  trans-70.1103.6174.9-171.6175.911.400109Q194 P198Q194-Q196 VanDerWaalsContact C-N 3.25Å; Q194-Q196 PolarHBondContact O-N 2.95Å; Q196-P198 WeakPolarHBondContact O-CD 3.23Å
197W28.5Very low45Very low224 Ų224117.3 Ų117.385%0.84861%0.613SS**  trans-55.8126.5166.4-71.393.7000108.8H195 S199H195-W197 PolarHBondContact O-N 2.99Å; H195-W197 VanDerWaalsContact O-N 3.1Å; W197-S199 PolarHBondContact O-N 2.98Å
198P34Very low47Very low77 Ų77112.7 Ų112.750%0.560%0.6SS.*  trans-59.9115.9179.9-26.234.7000110.8Q196 K244Q196-P198 WeakPolarHBondContact O-CD 3.23Å; P198-K244 HydrophobicContact CB-CD 4.07Å; P198-K244 HydrophobicContact CG-CD 4.35Å
199S39.7Very low49.5Very low51 Ų51108.3 Ų108.336%0.35758%0.582SS.*  trans-53.2151.4-173.6-570000113.3W197 E201 A202W197-S199 PolarHBondContact O-N 2.98Å; S199-E201 WeakPolarHBondContact CB-OE2 3.38Å; S199-E201 PolarHBondContact O-N 3.39Å; S199-E201 VanDerWaalsContact O-N 3.15Å; S199-E201 PolarHBondContact OG-OE2 2.89Å; S199-A202 PolarHBondContact O-N 3.43Å
200A52Low52.2Low72 Ų7298.9 Ų98.960%0.59554%0.542SS*.THydrogen-bonded Turntrans-57-25.5166.500000112.5A202 S203 I204A200-A202 VanDerWaalsContact C-N 3.28Å; A200-A202 PolarHBondContact O-N 3.47Å; A200-S203 WeakPolarHBondContact O-CA 3.5Å; A200-S203 WeakPolarHBondContact O-CB 3.42Å; A200-S203 PolarHBondContact O-N 2.98Å; A200-S203 PolarHBondContact O-OG 3.3Å; A200-I204 PolarHBondContact O-N 3.04Å; A200-I204 VanDerWaalsContact O-N 3.12Å
201E54.4Low54.9Low138 Ų13897 Ų9765%0.64552%0.516SS*.Hα-helixtrans-39-45.5169.3-155.5163.7-153.900114.4S199 S203 I204 E205S199-E201 WeakPolarHBondContact CB-OE2 3.38Å; S199-E201 PolarHBondContact O-N 3.39Å; S199-E201 VanDerWaalsContact O-N 3.15Å; S199-E201 PolarHBondContact OG-OE2 2.89Å; E201-S203 VanDerWaalsContact C-N 3.3Å; E201-S203 PolarHBondContact O-N 3.05Å; E201-I204 WeakPolarHBondContact O-CB 3.37Å; E201-I204 PolarHBondContact O-N 2.98Å; E201-I204 VanDerWaalsContact O-N 3.07Å; E201-E205 PolarHBondContact O-N 2.8Å
202A53.5Low57.6Low25 Ų2591.3 Ų91.321%0.20748%0.479CS..Hα-helixtrans-65-32.9177.800000112.8S199 A200 L206S199-A202 PolarHBondContact O-N 3.43Å; A200-A202 VanDerWaalsContact C-N 3.28Å; A200-A202 PolarHBondContact O-N 3.47Å; A202-L206 WeakPolarHBondContact O-CG 3.46Å; A202-L206 PolarHBondContact O-N 2.86Å
203S60.7Low60.7Low31 Ų3186.3 Ų86.322%0.21744%0.443CS..Hα-helixtrans-73.6-31.7173.475.50000112.4A200 E201 M207A200-S203 WeakPolarHBondContact O-CA 3.5Å; A200-S203 WeakPolarHBondContact O-CB 3.42Å; A200-S203 PolarHBondContact O-N 2.98Å; A200-S203 PolarHBondContact O-OG 3.3Å; E201-S203 VanDerWaalsContact C-N 3.3Å; E201-S203 PolarHBondContact O-N 3.05Å; S203-M207 WeakPolarHBondContact O-CB 3.08Å; S203-M207 WeakPolarHBondContact O-CG 3.24Å; S203-M207 PolarHBondContact O-N 2.86Å
204I63.6Low63.8Low100 Ų10082.1 Ų82.151%0.51341%0.408SS..Hα-helixtrans-72.2-41.2177.5-63.3166000110.2A200 E201 M207 K208A200-I204 PolarHBondContact O-N 3.04Å; A200-I204 VanDerWaalsContact O-N 3.12Å; E201-I204 WeakPolarHBondContact O-CB 3.37Å; E201-I204 PolarHBondContact O-N 2.98Å; E201-I204 VanDerWaalsContact O-N 3.07Å; I204-M207 CarbonylContact O-C 3.54Å; I204-M207 PolarHBondContact O-N 2.99Å; I204-M207 VanDerWaalsContact O-N 3.17Å; I204-K208 PolarHBondContact O-N 3.43Å
205E73.2Confident66.7Low117 Ų11777.7 Ų77.755%0.54739%0.387SS..Hα-helixtrans-60.2-48.5176-175.7176.5-142.100111.9E201 M207 K208 Q246E201-E205 PolarHBondContact O-N 2.8Å; E205-M207 PolarHBondContact O-N 2.81Å; E205-K208 VanDerWaalsContact O-CB 3.27Å; E205-K208 WeakPolarHBondContact O-CB 3.26Å; E205-K208 PolarHBondContact O-N 2.8Å; E205-K208 VanDerWaalsContact O-N 3.14Å; E205-Q246 PolarHBondContact OE2-NE2 3.31Å
206L78.4Confident69.7Low15 Ų1569.2 Ų69.28%0.07935%0.348CS..Hα-helixtrans-63.7-23.7175.6-69.3176.3000113.7A202 L229 Y240 D245A202-L206 WeakPolarHBondContact O-CG 3.46Å; A202-L206 PolarHBondContact O-N 2.86Å; L206-L229 HydrophobicContact CD1-CD2 4.37Å; L206-Y240 HydrophobicContact CD1-CD1 4.38Å; L206-Y240 HydrophobicContact CD1-CE1 4.48Å; L206-Y240 HydrophobicContact CD1-CG 4.47Å; L206-Y240 HydrophobicContact CD2-CD1 4.38Å; L206-Y240 HydrophobicContact CD2-CE1 3.69Å; L206-Y240 HydrophobicContact CD2-CE2 4.33Å; L206-D245 WeakPolarHBondContact CD1-O 3.23Å
207M78.1Confident73Confident29 Ų2968 Ų6814%0.14334%0.336CS..Hα-helixtrans-94.6-7.1177.9-72.2171.241.400113.2Y162 S203 I204 E205 D209 A210 C213Y162-M207 HydrophobicContact CD1-CE 4Å; Y162-M207 HydrophobicContact CE1-CE 3.4Å; Y162-M207 VanDerWaalsContact CE1-CE 3.4Å; S203-M207 WeakPolarHBondContact O-CB 3.08Å; S203-M207 WeakPolarHBondContact O-CG 3.24Å; S203-M207 PolarHBondContact O-N 2.86Å; I204-M207 CarbonylContact O-C 3.54Å; I204-M207 PolarHBondContact O-N 2.99Å; I204-M207 VanDerWaalsContact O-N 3.17Å; E205-M207 PolarHBondContact O-N 2.81Å; M207-D209 PolarHBondContact O-N 2.92Å; M207-A210 VanDerWaalsContact O-CB 3.23Å; M207-A210 WeakPolarHBondContact O-CB 3.32Å; M207-A210 PolarHBondContact O-N 2.8Å; M207-C213 HydrophobicContact CG-CB 4.18Å
208K80.4Confident76.2Confident134 Ų13459.2 Ų59.258%0.58330%0.303SS*.THydrogen-bonded Turntrans-63.2134.1178.4-163.2-172.1172.6-179.50110I204 E205 A210 K233I204-K208 PolarHBondContact O-N 3.43Å; E205-K208 VanDerWaalsContact O-CB 3.27Å; E205-K208 WeakPolarHBondContact O-CB 3.26Å; E205-K208 PolarHBondContact O-N 2.8Å; E205-K208 VanDerWaalsContact O-N 3.14Å; K208-A210 PolarHBondContact O-N 2.83Å; K208-A210 VanDerWaalsContact O-N 3.15Å; K208-K233 PolarHBondContact O-NZ 3.5Å
209D84.2Confident79Confident97 Ų9760 Ų6052%0.51930%0.298SS..THydrogen-bonded Turntrans58.518.8-177.3-22.6-63.9000114.3M207 K233M207-D209 PolarHBondContact O-N 2.92Å; D209-K233 IonicContact OD2-NZ 3.76Å; D209-K233 PolarHBondContact OD2-NZ 2.86Å
210A91.1Very high81.4Confident1 Ų162.7 Ų62.71%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-79.5131.5176.500000112M207 K208 V231 I232M207-A210 VanDerWaalsContact O-CB 3.23Å; M207-A210 WeakPolarHBondContact O-CB 3.32Å; M207-A210 PolarHBondContact O-N 2.8Å; K208-A210 PolarHBondContact O-N 2.83Å; K208-A210 VanDerWaalsContact O-N 3.15Å; A210-V231 HydrophobicContact CB-CG1 3.56Å; A210-I232 CarbonylContact C-O 3.56Å; A210-I232 WeakPolarHBondContact CA-O 3.48Å
211R92.1Very high82.6Confident84 Ų8469 Ų6932%0.31731%0.312SS..EExtended strand (participates in β ladder)trans-70.1-35.5173.9-66.7177.6-178.8-94.6-3.6112.2I232 D234 V299 E302R211-I232 PolarHBondContact N-O 3.36Å; R211-D234 PolarHBondContact NE-O 2.91Å; R211-V299 HydrophobicContact CB-CG1 3.79Å; R211-E302 IonicContact NH1-OE1 3.03Å; R211-E302 PolarHBondContact NH1-OE1 2.86Å
212I94.8Very high83.8Confident2 Ų267 Ų671%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-159.5146.1171.2-167.2163.2000110.5I232 Q295 W296 V299I212-I232 HydrophobicContact CG2-CB 3.96Å; I212-I232 HydrophobicContact CG2-CD1 3.79Å; I212-I232 HydrophobicContact CG2-CG1 4.03Å; I212-I232 PolarHBondContact O-N 3.19Å; I212-Q295 HydrophobicContact CD1-CB 4.19Å; I212-W296 VanDerWaalsContact CD1-CD1 3.44Å; I212-W296 HydrophobicContact CD1-CD2 4.39Å; I212-W296 HydrophobicContact CD1-CG 4.07Å; I212-W296 HydrophobicContact CG1-CZ2 4.18Å; I212-W296 HydrophobicContact CG2-CD2 4.24Å; I212-W296 HydrophobicContact CG2-CE3 4.42Å; I212-W296 HydrophobicContact CG2-CH2 4.35Å; I212-W296 HydrophobicContact CG2-CZ2 4.19Å; I212-W296 HydrophobicContact CG2-CZ3 4.48Å; I212-V299 HydrophobicContact CB-CG2 4.33Å; I212-V299 HydrophobicContact CG2-CB 4.13Å; I212-V299 HydrophobicContact CG2-CG1 3.92Å; I212-V299 HydrophobicContact CG2-CG2 4.2Å
213C94.3Very high85.2Confident7 Ų767.4 Ų67.45%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-147.5142.4177.856.50000111.8M207 C230 V231M207-C213 HydrophobicContact CG-CB 4.18Å; C213-C230 CarbonylContact C-O 3.55Å; C213-C230 VanDerWaalsContact CA-O 3.27Å; C213-C230 WeakPolarHBondContact CA-O 3.35Å; C213-V231 HydrophobicContact CB-CB 4.45Å; C213-V231 HydrophobicContact CB-CG1 4.3Å; C213-V231 HydrophobicContact CB-CG2 4.11Å
214A94.4Very high86.7Confident6 Ų671.7 Ų71.75%0.0533%0.329CS..EExtended strand (participates in β ladder)trans-163.6157.5177.200000111.8A163 L216 C230 W296A163-A214 HydrophobicContact CB-CB 4.39Å; A214-L216 HydrophobicContact CB-CD2 3.86Å; A214-L216 HydrophobicContact CB-CG 4.07Å; A214-L216 PolarHBondContact O-N 2.88Å; A214-C230 PolarHBondContact N-O 3.45Å; A214-C230 PolarHBondContact O-N 2.9Å; A214-W296 HydrophobicContact CB-CZ2 3.8Å
215F94.8Very high88.1Confident82 Ų8271.2 Ų71.236%0.3632%0.321SS..EExtended strand (participates in β ladder)trans-81.594.4168.2-78.4-88.5000110.7I165 K227 Q228 L229I165-F215 WeakPolarHBondContact CD1-O 3.44Å; F215-K227 HydrophobicContact CB-CG 4.29Å; F215-Q228 CarbonylContact C-O 3.53Å; F215-Q228 WeakPolarHBondContact CA-O 3.43Å; F215-L229 HydrophobicContact CD1-CB 4.09Å; F215-L229 HydrophobicContact CD2-CD1 4.36Å; F215-L229 HydrophobicContact CE1-CB 3.77Å; F215-L229 HydrophobicContact CE2-CD1 4.2Å; F215-L229 HydrophobicContact CZ-CB 4.03Å; F215-L229 HydrophobicContact CZ-CD1 4.44Å
216L95.4Very high89.1Confident2 Ų267.7 Ų67.71%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-103161-178.3-57.2-176.7000112.1A214 R218 K227 Q228 C230 L285 L287 W296A214-L216 HydrophobicContact CB-CD2 3.86Å; A214-L216 HydrophobicContact CB-CG 4.07Å; A214-L216 PolarHBondContact O-N 2.88Å; L216-R218 PolarHBondContact O-N 3.16Å; L216-K227 WeakPolarHBondContact O-CA 3.46Å; L216-Q228 PolarHBondContact N-O 3.17Å; L216-Q228 PolarHBondContact O-N 3.47Å; L216-C230 HydrophobicContact CB-CB 4.48Å; L216-C230 HydrophobicContact CD1-CB 4.29Å; L216-C230 HydrophobicContact CG-CB 4.38Å; L216-L285 HydrophobicContact CD1-CB 4.41Å; L216-L285 HydrophobicContact CD1-CD1 4.04Å; L216-L287 HydrophobicContact CD1-CD2 3.78Å; L216-L287 HydrophobicContact CD1-CG 4.14Å; L216-L287 HydrophobicContact CD2-CD2 3.89Å; L216-L287 HydrophobicContact CD2-CG 4.05Å; L216-W296 HydrophobicContact CD1-CD2 3.81Å; L216-W296 HydrophobicContact CD1-CE3 3.89Å; L216-W296 HydrophobicContact CD1-CH2 3.87Å; L216-W296 HydrophobicContact CD1-CZ2 3.75Å; L216-W296 HydrophobicContact CD1-CZ3 3.92Å; L216-W296 HydrophobicContact CG-CZ2 4.33Å
217W95.2Very high89.9Confident134 Ų13472 Ų7251%0.50833%0.329SS..EExtended strand (participates in β ladder)trans-85.2109.8172.5-71.697.6000110.2W225 A226 K227 L285 G286W217-W225 HydrophobicContact CB-CE3 3.94Å; W217-W225 HydrophobicContact CE3-CB 3.92Å; W217-W225 WeakPolarHBondContact O-CZ3 3.32Å; W217-A226 CarbonylContact C-O 3.59Å; W217-A226 WeakPolarHBondContact CA-O 3.24Å; W217-A226 VanDerWaalsContact CE3-C 3.48Å; W217-K227 HydrophobicContact CD2-CB 4.15Å; W217-K227 HydrophobicContact CE3-CB 4.06Å; W217-K227 VanDerWaalsContact CE3-N 3.3Å; W217-K227 HydrophobicContact CH2-CB 4.11Å; W217-K227 HydrophobicContact CZ2-CB 4.18Å; W217-K227 HydrophobicContact CZ3-CB 4.04Å; W217-L285 CarbonylContact O-C 3.57Å; W217-L285 WeakPolarHBondContact O-CA 3.21Å; W217-G286 PolarHBondContact N-O 3.25Å; W217-G286 PolarHBondContact O-N 2.95Å
218R94.9Very high90.7Very high39 Ų3971.2 Ų71.215%0.14733%0.325CS..EExtended strand (participates in β ladder)trans-91.9133.1173.6-165.4177.388-165.711.4110.7L216 W225 A226 Q228 L249 I283 L285L216-R218 PolarHBondContact O-N 3.16Å; R218-W225 WeakPolarHBondContact O-CA 3.47Å; R218-A226 PolarHBondContact N-O 2.89Å; R218-A226 PolarHBondContact O-N 3.31Å; R218-Q228 VanDerWaalsContact NE-OE1 3.07Å; R218-L249 PolarHBondContact NH2-O 2.84Å; R218-I283 HydrophobicContact CG-CG2 4.45Å; R218-L285 HydrophobicContact CB-CD2 4.22Å; R218-L285 HydrophobicContact CG-CD2 4.09Å
219K94.2Very high91.4Very high94 Ų9465 Ų6541%0.40930%0.298SS..EExtended strand (participates in β ladder)trans-83.5128.7171.7-160.4176.6174.8179.60110.6G223 Q224 W225 V284K219-G223 VanDerWaalsContact CE-O 3.26Å; K219-G223 WeakPolarHBondContact CE-O 3.34Å; K219-Q224 WeakPolarHBondContact CA-O 3.44Å; K219-W225 HydrophobicContact CB-CD2 4.04Å; K219-W225 HydrophobicContact CB-CE3 3.76Å; K219-W225 HydrophobicContact CB-CH2 4.04Å; K219-W225 HydrophobicContact CB-CZ2 4.28Å; K219-W225 HydrophobicContact CB-CZ3 3.76Å; K219-W225 HydrophobicContact CD-CH2 4.31Å; K219-W225 HydrophobicContact CD-CZ2 3.92Å; K219-W225 HydrophobicContact CG-CD2 4.17Å; K219-W225 HydrophobicContact CG-CE3 4.39Å; K219-W225 HydrophobicContact CG-CZ2 4.28Å; K219-V284 HydrophobicContact CB-CB 4Å; K219-V284 PolarHBondContact N-O 3.23Å
220K88.8Confident91.9Very high107 Ų10760.3 Ų60.347%0.46527%0.274SS..PPolyproline II helixtrans-84.5158.8173-168.2173.8-179.7-178.10110.4L222 G223 Q224K220-L222 PolarHBondContact O-N 3.44Å; K220-G223 PolarHBondContact O-N 3.31Å; K220-Q224 PolarHBondContact N-O 2.67Å
221W79Confident92.1Very high204 Ų20460.3 Ų60.377%0.77327%0.273SS*.THydrogen-bonded Turntrans-53.7-34.8177.162.6-88.6000113.7G223W221-G223 PolarHBondContact O-N 2.9Å; W221-G223 VanDerWaalsContact O-N 3.12Å
222L79.6Confident92.3Very high98 Ų9856.3 Ų56.351%0.51326%0.258SS..THydrogen-bonded Turntrans-72.910.3173-65.8173.8000115K220 Q224K220-L222 PolarHBondContact O-N 3.44Å; L222-Q224 PolarHBondContact O-N 3.09Å; L222-Q224 VanDerWaalsContact O-N 3.15Å
223G83.1Confident92.3Very high33 Ų3358.5 Ų58.534%0.3427%0.268SS..SBendtrans83.3-21.7177.400000115.9K219 K220 W221K219-G223 VanDerWaalsContact CE-O 3.26Å; K219-G223 WeakPolarHBondContact CE-O 3.34Å; K220-G223 PolarHBondContact O-N 3.31Å; W221-G223 PolarHBondContact O-N 2.9Å; W221-G223 VanDerWaalsContact O-N 3.12Å
224Q90.6Very high92Very high120 Ų12062.6 Ų62.656%0.56129%0.289SS*.  trans-59.9148.3176-65.6173.7-34.500112.2K219 K220 L222K219-Q224 WeakPolarHBondContact CA-O 3.44Å; K220-Q224 PolarHBondContact N-O 2.67Å; L222-Q224 PolarHBondContact O-N 3.09Å; L222-Q224 VanDerWaalsContact O-N 3.15Å
225W93.9Very high92Very high91 Ų9166.1 Ų66.135%0.34530%0.304SS..EExtended strand (participates in β ladder)trans-104.8145171.4-62.690.7000110.6W217 R218 K219 K272 V284W217-W225 HydrophobicContact CB-CE3 3.94Å; W217-W225 HydrophobicContact CE3-CB 3.92Å; W217-W225 WeakPolarHBondContact O-CZ3 3.32Å; R218-W225 WeakPolarHBondContact O-CA 3.47Å; K219-W225 HydrophobicContact CB-CD2 4.04Å; K219-W225 HydrophobicContact CB-CE3 3.76Å; K219-W225 HydrophobicContact CB-CH2 4.04Å; K219-W225 HydrophobicContact CB-CZ2 4.28Å; K219-W225 HydrophobicContact CB-CZ3 3.76Å; K219-W225 HydrophobicContact CD-CH2 4.31Å; K219-W225 HydrophobicContact CD-CZ2 3.92Å; K219-W225 HydrophobicContact CG-CD2 4.17Å; K219-W225 HydrophobicContact CG-CE3 4.39Å; K219-W225 HydrophobicContact CG-CZ2 4.28Å; W225-K272 HydrophobicContact CH2-CD 4.12Å; W225-K272 HydrophobicContact CH2-CG 4.3Å; W225-K272 HydrophobicContact CZ2-CD 4.28Å; W225-V284 HydrophobicContact CH2-CG1 3.81Å; W225-V284 HydrophobicContact CZ3-CG1 4.3Å
226A93.9Very high92Very high43 Ų4368 Ų6836%0.35531%0.309SS..EExtended strand (participates in β ladder)trans-133.6135.3171.400000110W217 R218 Q228W217-A226 CarbonylContact C-O 3.59Å; W217-A226 WeakPolarHBondContact CA-O 3.24Å; W217-A226 VanDerWaalsContact CE3-C 3.48Å; R218-A226 PolarHBondContact N-O 2.89Å; R218-A226 PolarHBondContact O-N 3.31Å; A226-Q228 HydrophobicContact CB-CG 4.24Å
227K94.4Very high92Very high104 Ų10467.9 Ų67.945%0.45231%0.309SS..EExtended strand (participates in β ladder)trans-73.3126170.5-171.9175.7-179.3178.80108.1F215 L216 W217F215-K227 HydrophobicContact CB-CG 4.29Å; L216-K227 WeakPolarHBondContact O-CA 3.46Å; W217-K227 HydrophobicContact CD2-CB 4.15Å; W217-K227 HydrophobicContact CE3-CB 4.06Å; W217-K227 VanDerWaalsContact CE3-N 3.3Å; W217-K227 HydrophobicContact CH2-CB 4.11Å; W217-K227 HydrophobicContact CZ2-CB 4.18Å; W217-K227 HydrophobicContact CZ3-CB 4.04Å
228Q94.6Very high92.1Very high13 Ų1362.5 Ų62.56%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-143.8140.6-171.2-72.5-160.8-107.900110.4F215 L216 R218 A226 C230 Y240F215-Q228 CarbonylContact C-O 3.53Å; F215-Q228 WeakPolarHBondContact CA-O 3.43Å; L216-Q228 PolarHBondContact N-O 3.17Å; L216-Q228 PolarHBondContact O-N 3.47Å; R218-Q228 VanDerWaalsContact NE-OE1 3.07Å; A226-Q228 HydrophobicContact CB-CG 4.24Å; Q228-C230 PolarHBondContact O-N 3.29Å; Q228-C230 VanDerWaalsContact O-N 3.08Å; Q228-C230 PolarHBondContact O-SG 3.09Å; Q228-C230 VanDerWaalsContact O-SG 3.41Å; Q228-Y240 VanDerWaalsContact CB-O 3.27Å; Q228-Y240 WeakPolarHBondContact CB-O 3.43Å; Q228-Y240 PolarHBondContact NE2-O 3.28Å
229L95.1Very high92.1Very high3 Ų360.7 Ų60.72%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-67.9108.3169.6174.560.9000108.4L206 F215 V231 C239 Y240L206-L229 HydrophobicContact CD1-CD2 4.37Å; F215-L229 HydrophobicContact CD1-CB 4.09Å; F215-L229 HydrophobicContact CD2-CD1 4.36Å; F215-L229 HydrophobicContact CE1-CB 3.77Å; F215-L229 HydrophobicContact CE2-CD1 4.2Å; F215-L229 HydrophobicContact CZ-CB 4.03Å; F215-L229 HydrophobicContact CZ-CD1 4.44Å; L229-V231 HydrophobicContact CD1-CG2 4.13Å; L229-V231 HydrophobicContact CD2-CG2 4.31Å; L229-V231 HydrophobicContact CG-CG2 3.89Å; L229-C239 CarbonylContact O-C 3.57Å; L229-C239 VanDerWaalsContact O-CA 3.32Å; L229-C239 WeakPolarHBondContact O-CA 3.45Å; L229-Y240 HydrophobicContact CD2-CD2 4.49Å; L229-Y240 HydrophobicContact CG-CD2 4.49Å; L229-Y240 PolarHBondContact O-N 2.91Å
230C95.9Very high92.1Very high0 Ų056.9 Ų56.90%027%0.266CS..EExtended strand (participates in β ladder)trans-98.7130.7174.8-600000108.1C213 A214 L216 Q228 L237 L238 C239 W296C213-C230 CarbonylContact C-O 3.55Å; C213-C230 VanDerWaalsContact CA-O 3.27Å; C213-C230 WeakPolarHBondContact CA-O 3.35Å; A214-C230 PolarHBondContact N-O 3.45Å; A214-C230 PolarHBondContact O-N 2.9Å; L216-C230 HydrophobicContact CB-CB 4.48Å; L216-C230 HydrophobicContact CD1-CB 4.29Å; L216-C230 HydrophobicContact CG-CB 4.38Å; Q228-C230 PolarHBondContact O-N 3.29Å; Q228-C230 VanDerWaalsContact O-N 3.08Å; Q228-C230 PolarHBondContact O-SG 3.09Å; Q228-C230 VanDerWaalsContact O-SG 3.41Å; C230-L237 HydrophobicContact CB-CD1 4.47Å; C230-L238 WeakPolarHBondContact CA-O 3.29Å; C230-C239 VanDerWaalsContact SG-SG 3.64Å; C230-W296 HydrophobicContact CB-CH2 3.6Å; C230-W296 HydrophobicContact CB-CZ2 4.47Å; C230-W296 HydrophobicContact CB-CZ3 4.12Å
231V96Very high92.2Very high0 Ų058.9 Ų58.90%028%0.275CS..EExtended strand (participates in β ladder)trans-132132.5-178.4-174.70000107.9A210 C213 L229 K233 L238 Y240A210-V231 HydrophobicContact CB-CG1 3.56Å; C213-V231 HydrophobicContact CB-CB 4.45Å; C213-V231 HydrophobicContact CB-CG1 4.3Å; C213-V231 HydrophobicContact CB-CG2 4.11Å; L229-V231 HydrophobicContact CD1-CG2 4.13Å; L229-V231 HydrophobicContact CD2-CG2 4.31Å; L229-V231 HydrophobicContact CG-CG2 3.89Å; V231-K233 HydrophobicContact CG1-CB 4.48Å; V231-L238 HydrophobicContact CB-CB 4.43Å; V231-L238 PolarHBondContact N-O 3.01Å; V231-L238 PolarHBondContact O-N 3.22Å; V231-Y240 HydrophobicContact CB-CE2 4.47Å; V231-Y240 HydrophobicContact CG2-CD2 4.27Å; V231-Y240 HydrophobicContact CG2-CE2 4.1Å
232I96Very high92.6Very high0 Ų051.4 Ų51.40%025%0.253CS..EExtended strand (participates in β ladder)trans-105.7111.2167.7-60.8-178000107.7A210 R211 I212 R236 L237 L254 W296 V299 I300 I303A210-I232 CarbonylContact C-O 3.56Å; A210-I232 WeakPolarHBondContact CA-O 3.48Å; R211-I232 PolarHBondContact N-O 3.36Å; I212-I232 HydrophobicContact CG2-CB 3.96Å; I212-I232 HydrophobicContact CG2-CD1 3.79Å; I212-I232 HydrophobicContact CG2-CG1 4.03Å; I212-I232 PolarHBondContact O-N 3.19Å; I232-R236 WeakPolarHBondContact CA-O 3.37Å; I232-L237 HydrophobicContact CG1-CD1 3.91Å; I232-L254 HydrophobicContact CD1-CD1 4.01Å; I232-L254 HydrophobicContact CG1-CD1 4.25Å; I232-L254 HydrophobicContact CG2-CD1 3.84Å; I232-W296 HydrophobicContact CD1-CE3 3.87Å; I232-W296 HydrophobicContact CD1-CZ3 3.75Å; I232-W296 HydrophobicContact CG1-CE3 4.46Å; I232-W296 HydrophobicContact CG1-CH2 4.36Å; I232-W296 HydrophobicContact CG1-CZ3 3.85Å; I232-V299 HydrophobicContact CD1-CG1 4.39Å; I232-V299 HydrophobicContact CG2-CG1 4.19Å; I232-I300 HydrophobicContact CD1-CD1 4.18Å; I232-I300 HydrophobicContact CD1-CG1 3.58Å; I232-I303 HydrophobicContact CG2-CD1 3.25Å
233K93.3Very high92.9Very high49 Ų4948.1 Ų48.121%0.21324%0.238CC..EExtended strand (participates in β ladder)trans-122.4140177.7-179.3163.6-178.7153.20109.2K208 D209 V231 H235 R236 L238K208-K233 PolarHBondContact O-NZ 3.5Å; D209-K233 IonicContact OD2-NZ 3.76Å; D209-K233 PolarHBondContact OD2-NZ 2.86Å; V231-K233 HydrophobicContact CG1-CB 4.48Å; K233-H235 PolarHBondContact O-N 3.03Å; K233-R236 PolarHBondContact N-O 3.5Å; K233-R236 VanDerWaalsContact N-O 3.13Å; K233-R236 PolarHBondContact O-N 3.46Å; K233-L238 HydrophobicContact CB-CD1 4.38Å
234D89.8Confident93Very high92 Ų9252.2 Ų52.249%0.49225%0.247SC..THydrogen-bonded Turntrans51.8-97.4-172.6-48.5-47000112.4R211R211-D234 PolarHBondContact NE-O 2.91Å
235H93.5Very high92.9Very high81 Ų8149.2 Ų49.238%0.37524%0.235SC..THydrogen-bonded Turntrans-132.320.6176.4-55.2-83.2000112.7K233 L254 L255 I303K233-H235 PolarHBondContact O-N 3.03Å; H235-L254 WeakPolarHBondContact O-CB 3.41Å; H235-L254 PolarHBondContact O-N 2.99Å; H235-L255 HydrophobicContact CB-CD1 4.44Å; H235-L255 HydrophobicContact CB-CD2 3.8Å; H235-L255 HydrophobicContact CB-CG 3.95Å; H235-I303 HydrophobicContact CB-CG2 3.77Å
236R95Very high92.6Very high121 Ų12149.7 Ų49.746%0.45724%0.241SC..EExtended strand (participates in β ladder)trans-121140-172.4-5817282.4132.8-2.1111I232 K233 L238 D251 V252I232-R236 WeakPolarHBondContact CA-O 3.37Å; K233-R236 PolarHBondContact N-O 3.5Å; K233-R236 VanDerWaalsContact N-O 3.13Å; K233-R236 PolarHBondContact O-N 3.46Å; R236-L238 HydrophobicContact CB-CD2 4.19Å; R236-D251 IonicContact CZ-OD1 3.08Å; R236-D251 VanDerWaalsContact CZ-OD1 3.32Å; R236-D251 IonicContact CZ-OD2 3.84Å; R236-D251 IonicContact NE-OD1 2.95Å; R236-D251 PolarHBondContact NE-OD1 2.9Å; R236-D251 IonicContact NE-OD2 2.77Å; R236-D251 IonicContact NH2-OD1 3.57Å; R236-D251 PolarHBondContact NH2-OD1 3.28Å; R236-D251 IonicContact NH2-OD2 2.82Å; R236-D251 PolarHBondContact NH2-OD2 3.38Å; R236-V252 CarbonylContact C-O 3.58Å; R236-V252 WeakPolarHBondContact CA-O 3.34Å
237L95.9Very high92.3Very high0 Ų052.9 Ų52.90%026%0.256CS..EExtended strand (participates in β ladder)trans-93.6113166.6173.960000109C230 I232 V252 L254 I275 I283 L285 W296C230-L237 HydrophobicContact CB-CD1 4.47Å; I232-L237 HydrophobicContact CG1-CD1 3.91Å; L237-V252 PolarHBondContact N-O 3.44Å; L237-V252 PolarHBondContact O-N 3.11Å; L237-V252 VanDerWaalsContact O-N 3.12Å; L237-L254 HydrophobicContact CB-CD1 4.14Å; L237-L254 HydrophobicContact CB-CD2 3.89Å; L237-L254 HydrophobicContact CB-CG 4.02Å; L237-I275 HydrophobicContact CD2-CD1 3.71Å; L237-I283 HydrophobicContact CD2-CD1 4.19Å; L237-I283 HydrophobicContact CD2-CG2 4.47Å; L237-L285 HydrophobicContact CD2-CD1 4.39Å; L237-W296 HydrophobicContact CD1-CZ3 4.11Å
238L95.8Very high92.2Very high21 Ų2149.7 Ų49.711%0.1125%0.246CC..EExtended strand (participates in β ladder)trans-103.3141.4176.1-50.7178.5000108.7C230 V231 K233 R236 Y240 P248 L250 D251C230-L238 WeakPolarHBondContact CA-O 3.29Å; V231-L238 HydrophobicContact CB-CB 4.43Å; V231-L238 PolarHBondContact N-O 3.01Å; V231-L238 PolarHBondContact O-N 3.22Å; K233-L238 HydrophobicContact CB-CD1 4.38Å; R236-L238 HydrophobicContact CB-CD2 4.19Å; L238-Y240 HydrophobicContact CB-CE2 3.74Å; L238-Y240 WeakPolarHBondContact CD1-OH 3.44Å; L238-P248 HydrophobicContact CB-CB 4.37Å; L238-P248 HydrophobicContact CD2-CG 4.46Å; L238-L250 CarbonylContact C-O 3.54Å; L238-L250 WeakPolarHBondContact CA-O 3.27Å; L238-D251 HydrophobicContact CD2-CB 3.79Å; L238-D251 VanDerWaalsContact CD2-CG 3.42Å; L238-D251 VanDerWaalsContact CD2-OD1 3.22Å; L238-D251 WeakPolarHBondContact CD2-OD1 3.32Å
239C95.1Very high92.2Very high0 Ų053.9 Ų53.90%027%0.268CS..EExtended strand (participates in β ladder)trans-140.7111.9177.4-61.40000111.5L229 C230 L249 L250L229-C239 CarbonylContact O-C 3.57Å; L229-C239 VanDerWaalsContact O-CA 3.32Å; L229-C239 WeakPolarHBondContact O-CA 3.45Å; C230-C239 VanDerWaalsContact SG-SG 3.64Å; C239-L249 WeakPolarHBondContact O-CA 3.49Å; C239-L249 WeakPolarHBondContact O-CB 3.22Å; C239-L249 PolarHBondContact O-N 2.8Å; C239-L250 HydrophobicContact CB-CB 4.1Å; C239-L250 PolarHBondContact N-O 3.28Å; C239-L250 PolarHBondContact O-N 3.17Å
240Y94.8Very high92.1Very high15 Ų1555.8 Ų55.86%0.05928%0.278CS..  trans-93165.3-178.2-56.3-92.8000111.1L206 Q228 L229 V231 L238 S242 D245 P248L206-Y240 HydrophobicContact CD1-CD1 4.38Å; L206-Y240 HydrophobicContact CD1-CE1 4.48Å; L206-Y240 HydrophobicContact CD1-CG 4.47Å; L206-Y240 HydrophobicContact CD2-CD1 4.38Å; L206-Y240 HydrophobicContact CD2-CE1 3.69Å; L206-Y240 HydrophobicContact CD2-CE2 4.33Å; Q228-Y240 VanDerWaalsContact CB-O 3.27Å; Q228-Y240 WeakPolarHBondContact CB-O 3.43Å; Q228-Y240 PolarHBondContact NE2-O 3.28Å; L229-Y240 HydrophobicContact CD2-CD2 4.49Å; L229-Y240 HydrophobicContact CG-CD2 4.49Å; L229-Y240 PolarHBondContact O-N 2.91Å; V231-Y240 HydrophobicContact CB-CE2 4.47Å; V231-Y240 HydrophobicContact CG2-CD2 4.27Å; V231-Y240 HydrophobicContact CG2-CE2 4.1Å; L238-Y240 HydrophobicContact CB-CE2 3.74Å; L238-Y240 WeakPolarHBondContact CD1-OH 3.44Å; Y240-S242 WeakPolarHBondContact CB-O 3.47Å; Y240-D245 WeakPolarHBondContact CD1-O 3.4Å; Y240-P248 HydrophobicContact CD1-CB 4.09Å; Y240-P248 HydrophobicContact CE1-CB 3.77Å; Y240-P248 HydrophobicContact CE1-CG 4.24Å; Y240-P248 HydrophobicContact CE2-CB 4.41Å
241K91.7Very high92.1Very high149 Ų14959 Ų5965%0.64830%0.296SS*.SBendtrans-77.9-39.7174.7-176.5-170.9172.3-166.70110.5D245 L249K241-D245 WeakPolarHBondContact CB-OD2 3.4Å; K241-L249 HydrophobicContact CB-CD1 3.7Å; K241-L249 HydrophobicContact CB-CG 4.32Å; K241-L249 HydrophobicContact CG-CD1 4.32Å
242S87.3Confident92Very high46 Ų4660.3 Ų60.332%0.32230%0.303SS..SBendtrans-144.2171.2178.7-172.70000109.1Y240 K244 D245Y240-S242 WeakPolarHBondContact CB-O 3.47Å; S242-K244 PolarHBondContact O-N 2.94Å; S242-D245 WeakPolarHBondContact CA-OD2 3.4Å; S242-D245 VanDerWaalsContact CB-OD2 3.23Å; S242-D245 WeakPolarHBondContact CB-OD2 3.24Å; S242-D245 PolarHBondContact N-OD2 2.84Å
243S85.9Confident91.9Very high29 Ų2963 Ų6320%0.20332%0.322CS..THydrogen-bonded Turntrans-77.69.5171.455.70000114.1
244K85.3Confident92Very high120 Ų12060.7 Ų60.752%0.52231%0.312SS..THydrogen-bonded Turntrans-108.9-6.2176.8-61.6-173.9178-175.10113.2P198 S242P198-K244 HydrophobicContact CB-CD 4.07Å; P198-K244 HydrophobicContact CG-CD 4.35Å; S242-K244 PolarHBondContact O-N 2.94Å
245D88.4Confident92.2Very high56 Ų5660.8 Ų60.830%0.29931%0.312SS..  trans-93.8118.7-179.7-51.4-80.6000109.6L206 Y240 K241 S242 T247L206-D245 WeakPolarHBondContact CD1-O 3.23Å; Y240-D245 WeakPolarHBondContact CD1-O 3.4Å; K241-D245 WeakPolarHBondContact CB-OD2 3.4Å; S242-D245 WeakPolarHBondContact CA-OD2 3.4Å; S242-D245 VanDerWaalsContact CB-OD2 3.23Å; S242-D245 WeakPolarHBondContact CB-OD2 3.24Å; S242-D245 PolarHBondContact N-OD2 2.84Å; D245-T247 VanDerWaalsContact C-N 3.27Å; D245-T247 PolarHBondContact O-N 2.94Å
246Q86.1Confident91.9Very high102 Ų10259.3 Ų59.348%0.47732%0.319SS..SBendtrans-74.5-17.8176.5-66.6-70.61100113.2E205E205-Q246 PolarHBondContact OE2-NE2 3.31Å
247T88.1Confident91.8Very high110 Ų11054.1 Ų54.168%0.67530%0.301SS*.SBendtrans-103.4124.3-178.9-50.90000111.2D245D245-T247 VanDerWaalsContact C-N 3.27Å; D245-T247 PolarHBondContact O-N 2.94Å
248P93.7Very high91.6Very high37 Ų3757.4 Ų57.424%0.2432%0.324CS..  trans-72.4141.1178.528.4-33.7000112.7L238 Y240 L250 D251L238-P248 HydrophobicContact CB-CB 4.37Å; L238-P248 HydrophobicContact CD2-CG 4.46Å; Y240-P248 HydrophobicContact CD1-CB 4.09Å; Y240-P248 HydrophobicContact CE1-CB 3.77Å; Y240-P248 HydrophobicContact CE1-CG 4.24Å; Y240-P248 HydrophobicContact CE2-CB 4.41Å; P248-L250 VanDerWaalsContact C-N 3.26Å; P248-L250 PolarHBondContact O-N 2.95Å; P248-D251 HydrophobicContact CB-CB 4.5Å; P248-D251 HydrophobicContact CG-CB 4.02Å
249L92.6Very high91.5Very high100 Ų10057.9 Ų57.952%0.52433%0.328SS..SBendtrans-83.63.7172-68.3-170.7000113.8R218 C239 K241R218-L249 PolarHBondContact NH2-O 2.84Å; C239-L249 WeakPolarHBondContact O-CA 3.49Å; C239-L249 WeakPolarHBondContact O-CB 3.22Å; C239-L249 PolarHBondContact O-N 2.8Å; K241-L249 HydrophobicContact CB-CD1 3.7Å; K241-L249 HydrophobicContact CB-CG 4.32Å; K241-L249 HydrophobicContact CG-CD1 4.32Å
250L94.1Very high91.4Very high44 Ų4461 Ų6123%0.2334%0.344CS..  trans-166.5130.6169.7178.173000106.2L238 C239 P248 V252 I283L238-L250 CarbonylContact C-O 3.54Å; L238-L250 WeakPolarHBondContact CA-O 3.27Å; C239-L250 HydrophobicContact CB-CB 4.1Å; C239-L250 PolarHBondContact N-O 3.28Å; C239-L250 PolarHBondContact O-N 3.17Å; P248-L250 VanDerWaalsContact C-N 3.26Å; P248-L250 PolarHBondContact O-N 2.95Å; L250-V252 HydrophobicContact CD1-CG2 3.55Å; L250-V252 HydrophobicContact CG-CG2 3.89Å; L250-I283 HydrophobicContact CD2-CD1 3.8Å; L250-I283 HydrophobicContact CD2-CG1 3.93Å; L250-I283 HydrophobicContact CD2-CG2 4.16Å
251D94.9Very high91.4Very high68 Ų6863.1 Ų63.136%0.36435%0.352SS..EExtended strand (participates in β ladder)trans-139.3115.1176.5171.96.5000106.7R236 L238 P248R236-D251 IonicContact CZ-OD1 3.08Å; R236-D251 VanDerWaalsContact CZ-OD1 3.32Å; R236-D251 IonicContact CZ-OD2 3.84Å; R236-D251 IonicContact NE-OD1 2.95Å; R236-D251 PolarHBondContact NE-OD1 2.9Å; R236-D251 IonicContact NE-OD2 2.77Å; R236-D251 IonicContact NH2-OD1 3.57Å; R236-D251 PolarHBondContact NH2-OD1 3.28Å; R236-D251 IonicContact NH2-OD2 2.82Å; R236-D251 PolarHBondContact NH2-OD2 3.38Å; L238-D251 HydrophobicContact CD2-CB 3.79Å; L238-D251 VanDerWaalsContact CD2-CG 3.42Å; L238-D251 VanDerWaalsContact CD2-OD1 3.22Å; L238-D251 WeakPolarHBondContact CD2-OD1 3.32Å; P248-D251 HydrophobicContact CB-CB 4.5Å; P248-D251 HydrophobicContact CG-CB 4.02Å
252V94.9Very high91.1Very high27 Ų2762.8 Ų62.816%0.16435%0.351CS..EExtended strand (participates in β ladder)trans-143.1130.1-167.81670000110.2R236 L237 L250 L254 P277 I283R236-V252 CarbonylContact C-O 3.58Å; R236-V252 WeakPolarHBondContact CA-O 3.34Å; L237-V252 PolarHBondContact N-O 3.44Å; L237-V252 PolarHBondContact O-N 3.11Å; L237-V252 VanDerWaalsContact O-N 3.12Å; L250-V252 HydrophobicContact CD1-CG2 3.55Å; L250-V252 HydrophobicContact CG-CG2 3.89Å; V252-L254 PolarHBondContact O-N 2.8Å; V252-P277 HydrophobicContact CG1-CB 3.66Å; V252-P277 HydrophobicContact CG1-CG 3.4Å; V252-P277 VanDerWaalsContact CG1-CG 3.4Å; V252-I283 HydrophobicContact CB-CD1 4.23Å; V252-I283 HydrophobicContact CG1-CD1 4.02Å; V252-I283 HydrophobicContact CG2-CD1 4.22Å
253S94.6Very high90.7Very high57 Ų5764.5 Ų64.540%0.39935%0.354SS..EExtended strand (participates in β ladder)trans-64.8132.1170.4-174.60000110.9L255S253-L255 PolarHBondContact OG-N 3.08Å
254L95.1Very high89.8Confident0 Ų069.1 Ų69.10%037%0.37CS..  trans-88.7-9.8172.8-66.3172.3000112.2I232 H235 L237 V252 G256 C257 I275 I300 I303 S304I232-L254 HydrophobicContact CD1-CD1 4.01Å; I232-L254 HydrophobicContact CG1-CD1 4.25Å; I232-L254 HydrophobicContact CG2-CD1 3.84Å; H235-L254 WeakPolarHBondContact O-CB 3.41Å; H235-L254 PolarHBondContact O-N 2.99Å; L237-L254 HydrophobicContact CB-CD1 4.14Å; L237-L254 HydrophobicContact CB-CD2 3.89Å; L237-L254 HydrophobicContact CB-CG 4.02Å; V252-L254 PolarHBondContact O-N 2.8Å; L254-G256 PolarHBondContact O-N 3.05Å; L254-C257 VanDerWaalsContact O-CB 3.26Å; L254-C257 WeakPolarHBondContact O-CB 3.32Å; L254-C257 PolarHBondContact O-N 3.46Å; L254-C257 PolarHBondContact O-SG 3Å; L254-I275 HydrophobicContact CD2-CG2 3.93Å; L254-I300 HydrophobicContact CB-CG2 4.48Å; L254-I300 HydrophobicContact CD1-CG1 4.14Å; L254-I300 HydrophobicContact CD1-CG2 4.29Å; L254-I300 HydrophobicContact CD2-CG2 4Å; L254-I303 HydrophobicContact CB-CG2 3.66Å; L254-I303 HydrophobicContact CD1-CD1 3.99Å; L254-I303 HydrophobicContact CD1-CG2 4.38Å; L254-S304 VanDerWaalsContact O-CB 3.25Å; L254-S304 WeakPolarHBondContact O-CB 3.48Å; L254-S304 PolarHBondContact O-OG 2.93Å
255L93Very high88.1Confident93 Ų9371 Ų7149%0.48738%0.381SS..THydrogen-bonded Turntrans-59122.6180-61.9177.6000110.9H235 S253 C257 V278 I303H235-L255 HydrophobicContact CB-CD1 4.44Å; H235-L255 HydrophobicContact CB-CD2 3.8Å; H235-L255 HydrophobicContact CB-CG 3.95Å; S253-L255 PolarHBondContact OG-N 3.08Å; L255-C257 PolarHBondContact O-N 3.5Å; L255-V278 WeakPolarHBondContact O-CG2 3.48Å; L255-I303 HydrophobicContact CD2-CG2 4.37Å; L255-I303 WeakPolarHBondContact CD2-O 3.5Å
256G87.6Confident86Confident51 Ų5173 Ų7353%0.52640%0.396SS..THydrogen-bonded Turntrans72.68.3-17700000115L254 V278 S304L254-G256 PolarHBondContact O-N 3.05Å; G256-V278 VanDerWaalsContact C-CG2 3.49Å; G256-V278 VanDerWaalsContact O-CG2 3.26Å; G256-V278 WeakPolarHBondContact O-CG2 3.34Å; G256-S304 VanDerWaalsContact CA-OG 3.3Å; G256-S304 WeakPolarHBondContact CA-OG 3.42Å; G256-S304 PolarHBondContact N-OG 2.65Å
257C92.8Very high84.2Confident12 Ų1278.2 Ų78.28%0.08142%0.418CS..  trans-71.1146.1-178.7800000112.5L254 L255 I275 I276 I300 S304L254-C257 VanDerWaalsContact O-CB 3.26Å; L254-C257 WeakPolarHBondContact O-CB 3.32Å; L254-C257 PolarHBondContact O-N 3.46Å; L254-C257 PolarHBondContact O-SG 3Å; L255-C257 PolarHBondContact O-N 3.5Å; C257-I275 HydrophobicContact CB-CG2 4.2Å; C257-I276 CarbonylContact C-O 3.48Å; C257-I276 VanDerWaalsContact CA-O 3.27Å; C257-I276 WeakPolarHBondContact CA-O 3.41Å; C257-I276 WeakPolarHBondContact CB-O 3.48Å; C257-I300 WeakPolarHBondContact SG-CG2 2.78Å; C257-S304 PolarHBondContact N-OG 3.03Å; C257-S304 VanDerWaalsContact N-OG 3.1Å; C257-S304 PolarHBondContact O-OG 3.46Å
258S91.7Very high82.7Confident69 Ų6981.5 Ų81.548%0.48342%0.423SS..EExtended strand (participates in β ladder)trans-99.4128.6174.5-177.80000110.1I276S258-I276 PolarHBondContact N-O 3.42Å; S258-I276 WeakPolarHBondContact O-CB 3.39Å; S258-I276 PolarHBondContact O-N 3.22Å
259V94.1Very high81Confident30 Ų3087 Ų8718%0.18244%0.443CS..EExtended strand (participates in β ladder)trans-118.3131-175-167.90000110.8L273 K274 I275 L297 I300V259-L273 HydrophobicContact CG1-CD1 3.47Å; V259-L273 VanDerWaalsContact CG1-CD1 3.47Å; V259-L273 HydrophobicContact CG1-CD2 4.34Å; V259-L273 HydrophobicContact CG1-CG 3.8Å; V259-K274 CarbonylContact C-O 3.56Å; V259-K274 WeakPolarHBondContact CA-O 3.31Å; V259-I275 HydrophobicContact CG1-CG1 4.22Å; V259-I275 HydrophobicContact CG2-CG1 4.47Å; V259-L297 HydrophobicContact CB-CD1 3.9Å; V259-L297 HydrophobicContact CG1-CD1 3.54Å; V259-I300 HydrophobicContact CG2-CB 4.27Å; V259-I300 HydrophobicContact CG2-CG2 3.49Å; V259-I300 VanDerWaalsContact CG2-CG2 3.49Å
260I93.4Very high80.1Confident66 Ų6685.5 Ų85.534%0.33843%0.433SS..EExtended strand (participates in β ladder)trans-124.8109.6-179-53.1174.9000108.7K262 K274 I276I260-K262 HydrophobicContact CG2-CG 4.23Å; I260-K274 HydrophobicContact CB-CB 4.41Å; I260-K274 PolarHBondContact N-O 3.37Å; I260-K274 PolarHBondContact O-N 3.05Å; I260-I276 HydrophobicContact CD1-CD1 4.08Å
261Y93.5Very high80Confident60 Ų6083.8 Ų83.824%0.23542%0.424CS..EExtended strand (participates in β ladder)trans-75.4139.6166.5175.3-134.1000110.4E263 H271 T293Y261-E263 HydrophobicContact CE1-CB 3.98Å; Y261-E263 HydrophobicContact CE2-CB 4.37Å; Y261-E263 WeakPolarHBondContact OH-CB 3.43Å; Y261-E263 WeakPolarHBondContact OH-CG 3.49Å; Y261-E263 PolarHBondContact OH-OE2 3.29Å; Y261-H271 HydrophobicContact CE2-CB 4.26Å; Y261-H271 AromaticContact CZ-ND1 4Å; Y261-H271 PolarHBondContact OH-ND1 2.95Å; Y261-T293 HydrophobicContact CD2-CG2 3.29Å; Y261-T293 HydrophobicContact CE2-CG2 3.44Å; Y261-T293 VanDerWaalsContact CE2-CG2 3.44Å; Y261-T293 HydrophobicContact CG-CG2 4.2Å
262K85.9Confident79.9Confident142 Ų14283 Ų8362%0.61742%0.417SS*.EExtended strand (participates in β ladder)trans-134.1110.9168.7-64.9-162.5175.1-161.30110I260 K272I260-K262 HydrophobicContact CG2-CG 4.23Å; K262-K272 PolarHBondContact N-O 2.83Å; K262-K272 PolarHBondContact O-N 2.66Å; K262-K272 VanDerWaalsContact O-N 3.11Å
263E80.3Confident79.9Confident82 Ų8281.7 Ų81.738%0.38341%0.409SS..  trans-86.3145.1166.7-163.5156.6174.900110.2Y261 H271Y261-E263 HydrophobicContact CE1-CB 3.98Å; Y261-E263 HydrophobicContact CE2-CB 4.37Å; Y261-E263 WeakPolarHBondContact OH-CB 3.43Å; Y261-E263 WeakPolarHBondContact OH-CG 3.49Å; Y261-E263 PolarHBondContact OH-OE2 3.29Å; E263-H271 IonicContact OE1-CE1 3.2Å; E263-H271 PolarHBondContact OE1-CE1 3.09Å
264K66.2Low79.9Confident126 Ų12682.8 Ų82.855%0.54841%0.407SS..  trans-129.3114.2-179.3-161.9-178.1175.3-166.90111.8E270K264-E270 HydrophobicContact CB-CB 4.36Å; K264-E270 WeakPolarHBondContact CD-OE2 3.28Å; K264-E270 IonicContact NZ-OE2 2.68Å
265Q49.4Very low80Confident159 Ų15982.8 Ų82.874%0.74341%0.407SS*.  trans-79.6159.5176.9-67.4-88.80.700111.8
266P43.3Very low80.1Confident97 Ų9780.9 Ų80.963%0.6340%0.397SS*.SBendcis-118.2-10.3-33.537.7-29.3000112.9K268P266-K268 PolarHBondContact O-N 3.45Å
267K49.6Very low80.4Confident212 Ų21279 Ų7992%0.92238%0.375SS*.SBendtrans-76.8-17.8-171.2-68.9-164.8174.8-1680115.1
268K57.3Low80.3Confident179 Ų17983.7 Ų83.778%0.77840%0.403SS*.SBendtrans-154.8116.4167.4-145.6167-173.1172.90106.4P266 E270P266-K268 PolarHBondContact O-N 3.45Å; K268-E270 VanDerWaalsContact C-N 3.29Å; K268-E270 PolarHBondContact O-N 3.3Å
269K56.2Low79.9Confident153 Ų15384.8 Ų84.867%0.66543%0.425SS*.  trans-73.780.4-174.4-69.7-172.5179.3-178.70110.6H271K269-H271 PolarHBondContact O-CD2 3.28Å; K269-H271 VanDerWaalsContact O-CD2 3.31Å; K269-H271 PolarHBondContact O-N 3.38Å
270E75.3Confident79.6Confident69 Ų6985.1 Ų85.132%0.32244%0.435SS..  trans-80.2102.9175.7-62.3-168.7116.800110.3K264 K268 K272K264-E270 HydrophobicContact CB-CB 4.36Å; K264-E270 WeakPolarHBondContact CD-OE2 3.28Å; K264-E270 IonicContact NZ-OE2 2.68Å; K268-E270 VanDerWaalsContact C-N 3.29Å; K268-E270 PolarHBondContact O-N 3.3Å; E270-K272 HydrophobicContact CB-CD 4.44Å; E270-K272 IonicContact OE1-NZ 2.76Å; E270-K272 PolarHBondContact OE1-NZ 2.99Å; E270-K272 IonicContact OE2-NZ 3.23Å; E270-K272 PolarHBondContact OE2-NZ 3.22Å
271H90.5Very high79.4Confident8 Ų889.6 Ų89.64%0.03746%0.455CS..EExtended strand (participates in β ladder)trans-89.6119.5173.4-57-80.1000109.8Y261 E263 K269 L287 S289 K290 T293Y261-H271 HydrophobicContact CE2-CB 4.26Å; Y261-H271 AromaticContact CZ-ND1 4Å; Y261-H271 PolarHBondContact OH-ND1 2.95Å; E263-H271 IonicContact OE1-CE1 3.2Å; E263-H271 PolarHBondContact OE1-CE1 3.09Å; K269-H271 PolarHBondContact O-CD2 3.28Å; K269-H271 VanDerWaalsContact O-CD2 3.31Å; K269-H271 PolarHBondContact O-N 3.38Å; H271-L287 PolarHBondContact O-N 3.42Å; H271-S289 VanDerWaalsContact CD2-CA 3.47Å; H271-S289 WeakPolarHBondContact CD2-CA 3.48Å; H271-K290 PolarHBondContact CD2-N 3.06Å; H271-K290 PolarHBondContact CE1-N 3.16Å; H271-K290 PolarHBondContact ND1-N 3.01Å; H271-K290 PolarHBondContact NE2-N 3.38Å; H271-T293 WeakPolarHBondContact CB-OG1 3.42Å
272K93.2Very high79.4Confident50 Ų5089 Ų8922%0.21746%0.461CS..EExtended strand (participates in β ladder)trans-130.8130.3-172.9-73.1170.8-179.8164.70111.7W225 K262 E270 L285W225-K272 HydrophobicContact CH2-CD 4.12Å; W225-K272 HydrophobicContact CH2-CG 4.3Å; W225-K272 HydrophobicContact CZ2-CD 4.28Å; K262-K272 PolarHBondContact N-O 2.83Å; K262-K272 PolarHBondContact O-N 2.66Å; K262-K272 VanDerWaalsContact O-N 3.11Å; E270-K272 HydrophobicContact CB-CD 4.44Å; E270-K272 IonicContact OE1-NZ 2.76Å; E270-K272 PolarHBondContact OE1-NZ 2.99Å; E270-K272 IonicContact OE2-NZ 3.23Å; E270-K272 PolarHBondContact OE2-NZ 3.22Å; K272-L285 WeakPolarHBondContact CA-O 3.25Å
273L95.3Very high79.8Confident0 Ų082.9 Ų82.90%044%0.435CS..EExtended strand (participates in β ladder)trans-113.3117.2-180-16567.6000108.8V259 I275 V284 L285 L287 T293 W296 L297 I300V259-L273 HydrophobicContact CG1-CD1 3.47Å; V259-L273 VanDerWaalsContact CG1-CD1 3.47Å; V259-L273 HydrophobicContact CG1-CD2 4.34Å; V259-L273 HydrophobicContact CG1-CG 3.8Å; L273-I275 HydrophobicContact CG-CG1 4.46Å; L273-V284 WeakPolarHBondContact O-CA 3.39Å; L273-L285 HydrophobicContact CB-CB 4.48Å; L273-L285 PolarHBondContact N-O 2.83Å; L273-L285 PolarHBondContact O-N 3.33Å; L273-L287 HydrophobicContact CB-CD1 3.68Å; L273-T293 HydrophobicContact CB-CG2 4.2Å; L273-T293 HydrophobicContact CD1-CG2 3.99Å; L273-W296 HydrophobicContact CD2-CB 4.11Å; L273-L297 HydrophobicContact CD1-CB 4.32Å; L273-L297 HydrophobicContact CD1-CD1 4.15Å; L273-I300 HydrophobicContact CD2-CD1 3.86Å
274K95.5Very high80.5Confident80 Ų8080.6 Ų80.635%0.34843%0.427SS..EExtended strand (participates in β ladder)trans-101117.6173.8-179.5-175.7179.9-167.20109V259 I260 I276 A282 I283 V284V259-K274 CarbonylContact C-O 3.56Å; V259-K274 WeakPolarHBondContact CA-O 3.31Å; I260-K274 HydrophobicContact CB-CB 4.41Å; I260-K274 PolarHBondContact N-O 3.37Å; I260-K274 PolarHBondContact O-N 3.05Å; K274-I276 HydrophobicContact CD-CD1 4.3Å; K274-I276 HydrophobicContact CD-CG1 4.38Å; K274-I276 HydrophobicContact CG-CG1 4.22Å; K274-A282 HydrophobicContact CD-CB 4.45Å; K274-A282 HydrophobicContact CG-CB 4.35Å; K274-I283 CarbonylContact C-O 3.51Å; K274-I283 WeakPolarHBondContact CA-O 3.39Å; K274-V284 HydrophobicContact CB-CG2 4.4Å; K274-V284 HydrophobicContact CG-CG2 4.19Å
275I95.8Very high82Confident0 Ų074.6 Ų74.60%040%0.401CS..EExtended strand (participates in β ladder)trans-104133.7176.5-56.8165.4000107.6L237 L254 C257 V259 L273 A282 I283 L285 I300L237-I275 HydrophobicContact CD2-CD1 3.71Å; L254-I275 HydrophobicContact CD2-CG2 3.93Å; C257-I275 HydrophobicContact CB-CG2 4.2Å; V259-I275 HydrophobicContact CG1-CG1 4.22Å; V259-I275 HydrophobicContact CG2-CG1 4.47Å; L273-I275 HydrophobicContact CG-CG1 4.46Å; I275-A282 CarbonylContact O-C 3.49Å; I275-A282 WeakPolarHBondContact O-CA 3.41Å; I275-I283 HydrophobicContact CB-CB 4.39Å; I275-I283 PolarHBondContact N-O 3.32Å; I275-I283 PolarHBondContact O-N 3.46Å; I275-L285 HydrophobicContact CD1-CD1 3.91Å; I275-I300 HydrophobicContact CD1-CD1 3.61Å; I275-I300 HydrophobicContact CG1-CD1 4.12Å
276I94.9Very high84.1Confident53 Ų5367.4 Ų67.427%0.27237%0.369SS..EExtended strand (participates in β ladder)trans-123.397.9-178.6-51.7179.4000107.4C257 S258 I260 K274 A282C257-I276 CarbonylContact C-O 3.48Å; C257-I276 VanDerWaalsContact CA-O 3.27Å; C257-I276 WeakPolarHBondContact CA-O 3.41Å; C257-I276 WeakPolarHBondContact CB-O 3.48Å; S258-I276 PolarHBondContact N-O 3.42Å; S258-I276 WeakPolarHBondContact O-CB 3.39Å; S258-I276 PolarHBondContact O-N 3.22Å; I260-I276 HydrophobicContact CD1-CD1 4.08Å; K274-I276 HydrophobicContact CD-CD1 4.3Å; K274-I276 HydrophobicContact CD-CG1 4.38Å; K274-I276 HydrophobicContact CG-CG1 4.22Å; I276-A282 HydrophobicContact CG1-CB 4.04Å
277P93.4Very high86.6Confident11 Ų1163.4 Ų63.47%0.07134%0.343CS..  trans-68.2155.4178.8-14.730.2000111.7V252 G279 G280 E281 I283V252-P277 HydrophobicContact CG1-CB 3.66Å; V252-P277 HydrophobicContact CG1-CG 3.4Å; V252-P277 VanDerWaalsContact CG1-CG 3.4Å; P277-G279 PolarHBondContact O-N 3.06Å; P277-G279 VanDerWaalsContact O-N 3.12Å; P277-G280 PolarHBondContact O-N 3.13Å; P277-G280 VanDerWaalsContact O-N 3.13Å; P277-E281 WeakPolarHBondContact CD-O 3.36Å; P277-I283 HydrophobicContact CG-CD1 4.04Å
278V90.6Very high88.4Confident111 Ų11158.4 Ų58.467%0.67332%0.323SS*.THydrogen-bonded Turntrans-62.2116.6174-175.40000109.2L255 G256 G280L255-V278 WeakPolarHBondContact O-CG2 3.48Å; G256-V278 VanDerWaalsContact C-CG2 3.49Å; G256-V278 VanDerWaalsContact O-CG2 3.26Å; G256-V278 WeakPolarHBondContact O-CG2 3.34Å; V278-G280 PolarHBondContact O-N 3.06Å
279G85.1Confident89.9Confident92 Ų9251.7 Ų51.795%0.94830%0.298SS*.THydrogen-bonded Turntrans68.97.9-177.500000115.9P277P277-G279 PolarHBondContact O-N 3.06Å; P277-G279 VanDerWaalsContact O-N 3.12Å
280G86.8Confident91.5Very high37 Ų3749 Ų4938%0.38129%0.286SS..SBendtrans-108.9165.8-174.600000115P277 V278P277-G280 PolarHBondContact O-N 3.13Å; P277-G280 VanDerWaalsContact O-N 3.13Å; V278-G280 PolarHBondContact O-N 3.06Å
281E89.9Confident92.2Very high161 Ų16151.6 Ų51.675%0.75230%0.299SS*.  trans-66.2147.4170.5-68-160.6147.400111.9P277 I283P277-E281 WeakPolarHBondContact CD-O 3.36Å; E281-I283 PolarHBondContact O-N 2.74Å
282A93Very high92.3Very high46 Ų4651.4 Ų51.438%0.3830%0.298SS..  trans-79.1113.8-178.600000112.8K274 I275 I276K274-A282 HydrophobicContact CD-CB 4.45Å; K274-A282 HydrophobicContact CG-CB 4.35Å; I275-A282 CarbonylContact O-C 3.49Å; I275-A282 WeakPolarHBondContact O-CA 3.41Å; I276-A282 HydrophobicContact CG1-CB 4.04Å
283I94.8Very high92.4Very high14 Ų1449 Ų497%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-78.6138.9177.8-54.6156.6000108.8R218 L237 L250 V252 K274 I275 P277 E281 L285R218-I283 HydrophobicContact CG-CG2 4.45Å; L237-I283 HydrophobicContact CD2-CD1 4.19Å; L237-I283 HydrophobicContact CD2-CG2 4.47Å; L250-I283 HydrophobicContact CD2-CD1 3.8Å; L250-I283 HydrophobicContact CD2-CG1 3.93Å; L250-I283 HydrophobicContact CD2-CG2 4.16Å; V252-I283 HydrophobicContact CB-CD1 4.23Å; V252-I283 HydrophobicContact CG1-CD1 4.02Å; V252-I283 HydrophobicContact CG2-CD1 4.22Å; K274-I283 CarbonylContact C-O 3.51Å; K274-I283 WeakPolarHBondContact CA-O 3.39Å; I275-I283 HydrophobicContact CB-CB 4.39Å; I275-I283 PolarHBondContact N-O 3.32Å; I275-I283 PolarHBondContact O-N 3.46Å; P277-I283 HydrophobicContact CG-CD1 4.04Å; E281-I283 PolarHBondContact O-N 2.74Å; I283-L285 HydrophobicContact CG2-CD2 4.24Å; I283-L285 HydrophobicContact CG2-CG 4.41Å
284V95.4Very high92.2Very high34 Ų3453.2 Ų53.221%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-124.8122.2173.1-173.20000109.9K219 W225 L273 K274K219-V284 HydrophobicContact CB-CB 4Å; K219-V284 PolarHBondContact N-O 3.23Å; W225-V284 HydrophobicContact CH2-CG1 3.81Å; W225-V284 HydrophobicContact CZ3-CG1 4.3Å; L273-V284 WeakPolarHBondContact O-CA 3.39Å; K274-V284 HydrophobicContact CB-CG2 4.4Å; K274-V284 HydrophobicContact CG-CG2 4.19Å
285L95.9Very high92.2Very high0 Ų052.2 Ų52.20%030%0.303CS..EExtended strand (participates in β ladder)trans-106.3139.1174.5-56.3176.2000109.6L216 W217 R218 L237 K272 L273 I275 I283 L287 W296L216-L285 HydrophobicContact CD1-CB 4.41Å; L216-L285 HydrophobicContact CD1-CD1 4.04Å; W217-L285 CarbonylContact O-C 3.57Å; W217-L285 WeakPolarHBondContact O-CA 3.21Å; R218-L285 HydrophobicContact CB-CD2 4.22Å; R218-L285 HydrophobicContact CG-CD2 4.09Å; L237-L285 HydrophobicContact CD2-CD1 4.39Å; K272-L285 WeakPolarHBondContact CA-O 3.25Å; L273-L285 HydrophobicContact CB-CB 4.48Å; L273-L285 PolarHBondContact N-O 2.83Å; L273-L285 PolarHBondContact O-N 3.33Å; I275-L285 HydrophobicContact CD1-CD1 3.91Å; I283-L285 HydrophobicContact CG2-CD2 4.24Å; I283-L285 HydrophobicContact CG2-CG 4.41Å; L285-L287 HydrophobicContact CB-CD1 4.16Å; L285-W296 HydrophobicContact CD1-CE3 4.25Å; L285-W296 HydrophobicContact CD1-CZ3 4.29Å
286G95.1Very high92.2Very high8 Ų852.2 Ų52.28%0.08230%0.303CS..EExtended strand (participates in β ladder)trans-107.9128.517000000109.4W217W217-G286 PolarHBondContact N-O 3.25Å; W217-G286 PolarHBondContact O-N 2.95Å
287L94.5Very high92.2Very high13 Ų1351.1 Ų51.17%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-123.1156.6-172.6-60.9104.4000110.1L216 H271 L273 L285 Q292 T293 W296L216-L287 HydrophobicContact CD1-CD2 3.78Å; L216-L287 HydrophobicContact CD1-CG 4.14Å; L216-L287 HydrophobicContact CD2-CD2 3.89Å; L216-L287 HydrophobicContact CD2-CG 4.05Å; H271-L287 PolarHBondContact O-N 3.42Å; L273-L287 HydrophobicContact CB-CD1 3.68Å; L285-L287 HydrophobicContact CB-CD1 4.16Å; L287-Q292 HydrophobicContact CD2-CG 3.95Å; L287-T293 WeakPolarHBondContact CB-OG1 3.32Å; L287-T293 HydrophobicContact CD1-CG2 4.02Å; L287-W296 HydrophobicContact CD2-CB 4.13Å; L287-W296 HydrophobicContact CD2-CD2 4.38Å; L287-W296 HydrophobicContact CD2-CG 3.83Å
288Q88.4Confident92.2Very high108 Ų10856.5 Ų56.551%0.50532%0.32SS..SBendtrans-82.2-24.6-169.678.5-166.411.900114I165I165-Q288 VanDerWaalsContact CG1-OE1 3.25Å
289S88.6Confident92.4Very high37 Ų3752.1 Ų52.126%0.25929%0.294SS..  trans-145160.7-177.271.80000112.1H271 Q292 T293H271-S289 VanDerWaalsContact CD2-CA 3.47Å; H271-S289 WeakPolarHBondContact CD2-CA 3.48Å; S289-Q292 WeakPolarHBondContact OG-CB 3.4Å; S289-Q292 PolarHBondContact OG-N 3.49Å; S289-T293 PolarHBondContact O-N 2.9Å; S289-T293 VanDerWaalsContact O-N 3.15Å; S289-T293 PolarHBondContact O-OG1 2.82Å
290K89.1Confident92.8Very high96 Ų9647.7 Ų47.742%0.41725%0.249SC..Hα-helixtrans-55.4-51.7170.5177.9176167.4179.30110.6H271 Q292 T293 E294H271-K290 PolarHBondContact CD2-N 3.06Å; H271-K290 PolarHBondContact CE1-N 3.16Å; H271-K290 PolarHBondContact ND1-N 3.01Å; H271-K290 PolarHBondContact NE2-N 3.38Å; K290-Q292 PolarHBondContact O-N 2.75Å; K290-T293 CarbonylContact O-C 3.51Å; K290-T293 WeakPolarHBondContact O-CA 3.39Å; K290-T293 VanDerWaalsContact O-CB 3.3Å; K290-T293 WeakPolarHBondContact O-CB 3.29Å; K290-T293 PolarHBondContact O-N 3.22Å; K290-E294 VanDerWaalsContact CE-CD 3.43Å; K290-E294 WeakPolarHBondContact CE-OE1 3.45Å; K290-E294 HydrophobicContact CG-CG 4.38Å; K290-E294 IonicContact NZ-OE1 3.9Å; K290-E294 WeakPolarHBondContact O-CG 3.4Å; K290-E294 PolarHBondContact O-N 3.03Å
291E91Very high93Very high124 Ų12451.3 Ų51.358%0.57926%0.255SS*.Hα-helixtrans-57.8-46.7-179.2-169.7-162.3163.100112.6T293 E294 Q295E291-T293 PolarHBondContact O-N 3.17Å; E291-E294 PolarHBondContact O-N 2.79Å; E291-E294 VanDerWaalsContact O-N 3.09Å; E291-Q295 WeakPolarHBondContact O-CG 3.36Å; E291-Q295 PolarHBondContact O-N 2.64Å; E291-Q295 PolarHBondContact OE1-NE2 3.34Å
292Q92.6Very high93Very high5 Ų548.9 Ų48.92%0.02324%0.244CC..Hα-helixtrans-58.9-36.3175.1-171.8-174.960.400110.7L287 S289 K290 W296L287-Q292 HydrophobicContact CD2-CG 3.95Å; S289-Q292 WeakPolarHBondContact OG-CB 3.4Å; S289-Q292 PolarHBondContact OG-N 3.49Å; K290-Q292 PolarHBondContact O-N 2.75Å; Q292-W296 PolarHBondContact O-N 3.34Å; Q292-W296 VanDerWaalsContact O-N 3.08Å
293T93.8Very high92.9Very high0 Ų046.9 Ų46.90%023%0.227CC..Hα-helixtrans-71.5-35.3177-47.40000112.7Y261 H271 L273 L287 S289 K290 E291 L297Y261-T293 HydrophobicContact CD2-CG2 3.29Å; Y261-T293 HydrophobicContact CE2-CG2 3.44Å; Y261-T293 VanDerWaalsContact CE2-CG2 3.44Å; Y261-T293 HydrophobicContact CG-CG2 4.2Å; H271-T293 WeakPolarHBondContact CB-OG1 3.42Å; L273-T293 HydrophobicContact CB-CG2 4.2Å; L273-T293 HydrophobicContact CD1-CG2 3.99Å; L287-T293 WeakPolarHBondContact CB-OG1 3.32Å; L287-T293 HydrophobicContact CD1-CG2 4.02Å; S289-T293 PolarHBondContact O-N 2.9Å; S289-T293 VanDerWaalsContact O-N 3.15Å; S289-T293 PolarHBondContact O-OG1 2.82Å; K290-T293 CarbonylContact O-C 3.51Å; K290-T293 WeakPolarHBondContact O-CA 3.39Å; K290-T293 VanDerWaalsContact O-CB 3.3Å; K290-T293 WeakPolarHBondContact O-CB 3.29Å; K290-T293 PolarHBondContact O-N 3.22Å; E291-T293 PolarHBondContact O-N 3.17Å; T293-L297 WeakPolarHBondContact O-CB 3.15Å; T293-L297 PolarHBondContact O-N 2.96Å
294E92.9Very high92.4Very high87 Ų8746.9 Ų46.941%0.40723%0.228SC..Hα-helixtrans-70.5-39.4175.9-70.8170.7147.700111.6K290 E291 L297 K298K290-E294 VanDerWaalsContact CE-CD 3.43Å; K290-E294 WeakPolarHBondContact CE-OE1 3.45Å; K290-E294 HydrophobicContact CG-CG 4.38Å; K290-E294 IonicContact NZ-OE1 3.9Å; K290-E294 WeakPolarHBondContact O-CG 3.4Å; K290-E294 PolarHBondContact O-N 3.03Å; E291-E294 PolarHBondContact O-N 2.79Å; E291-E294 VanDerWaalsContact O-N 3.09Å; E294-L297 PolarHBondContact O-N 3.36Å; E294-K298 VanDerWaalsContact O-CB 3.27Å; E294-K298 WeakPolarHBondContact O-CB 3.47Å; E294-K298 PolarHBondContact O-N 3.21Å
295Q94.8Very high90.9Very high59 Ų5949.7 Ų49.728%0.27625%0.247SC..Hα-helixtrans-58.9-50.1170.8-68.8171.56.700111.4I212 E291 K298 V299I212-Q295 HydrophobicContact CD1-CB 4.19Å; E291-Q295 WeakPolarHBondContact O-CG 3.36Å; E291-Q295 PolarHBondContact O-N 2.64Å; E291-Q295 PolarHBondContact OE1-NE2 3.34Å; Q295-K298 PolarHBondContact O-N 2.91Å; Q295-V299 PolarHBondContact O-N 3.32Å
296W95.4Very high88.8Confident0 Ų058.8 Ų58.80%029%0.287CS..Hα-helixtrans-65.5-41.6178.2-84.769.8000112.7I212 A214 L216 C230 I232 L237 L273 L285 L287 Q292 V299 I300I212-W296 VanDerWaalsContact CD1-CD1 3.44Å; I212-W296 HydrophobicContact CD1-CD2 4.39Å; I212-W296 HydrophobicContact CD1-CG 4.07Å; I212-W296 HydrophobicContact CG1-CZ2 4.18Å; I212-W296 HydrophobicContact CG2-CD2 4.24Å; I212-W296 HydrophobicContact CG2-CE3 4.42Å; I212-W296 HydrophobicContact CG2-CH2 4.35Å; I212-W296 HydrophobicContact CG2-CZ2 4.19Å; I212-W296 HydrophobicContact CG2-CZ3 4.48Å; A214-W296 HydrophobicContact CB-CZ2 3.8Å; L216-W296 HydrophobicContact CD1-CD2 3.81Å; L216-W296 HydrophobicContact CD1-CE3 3.89Å; L216-W296 HydrophobicContact CD1-CH2 3.87Å; L216-W296 HydrophobicContact CD1-CZ2 3.75Å; L216-W296 HydrophobicContact CD1-CZ3 3.92Å; L216-W296 HydrophobicContact CG-CZ2 4.33Å; C230-W296 HydrophobicContact CB-CH2 3.6Å; C230-W296 HydrophobicContact CB-CZ2 4.47Å; C230-W296 HydrophobicContact CB-CZ3 4.12Å; I232-W296 HydrophobicContact CD1-CE3 3.87Å; I232-W296 HydrophobicContact CD1-CZ3 3.75Å; I232-W296 HydrophobicContact CG1-CE3 4.46Å; I232-W296 HydrophobicContact CG1-CH2 4.36Å; I232-W296 HydrophobicContact CG1-CZ3 3.85Å; L237-W296 HydrophobicContact CD1-CZ3 4.11Å; L273-W296 HydrophobicContact CD2-CB 4.11Å; L285-W296 HydrophobicContact CD1-CE3 4.25Å; L285-W296 HydrophobicContact CD1-CZ3 4.29Å; L287-W296 HydrophobicContact CD2-CB 4.13Å; L287-W296 HydrophobicContact CD2-CD2 4.38Å; L287-W296 HydrophobicContact CD2-CG 3.83Å; Q292-W296 PolarHBondContact O-N 3.34Å; Q292-W296 VanDerWaalsContact O-N 3.08Å; W296-V299 PolarHBondContact O-N 3.38Å; W296-I300 WeakPolarHBondContact O-CD1 3.41Å; W296-I300 VanDerWaalsContact O-CG1 3.29Å; W296-I300 WeakPolarHBondContact O-CG1 3.39Å; W296-I300 PolarHBondContact O-N 2.86Å
297L94.3Very high86.2Confident30 Ų3064.2 Ų64.216%0.15732%0.32CS..Hα-helixtrans-60.4-44.9175.7178.363.6000111.5V259 L273 T293 E294 I300 Q301V259-L297 HydrophobicContact CB-CD1 3.9Å; V259-L297 HydrophobicContact CG1-CD1 3.54Å; L273-L297 HydrophobicContact CD1-CB 4.32Å; L273-L297 HydrophobicContact CD1-CD1 4.15Å; T293-L297 WeakPolarHBondContact O-CB 3.15Å; T293-L297 PolarHBondContact O-N 2.96Å; E294-L297 PolarHBondContact O-N 3.36Å; L297-I300 PolarHBondContact O-N 3.31Å; L297-Q301 HydrophobicContact CD1-CG 4.2Å; L297-Q301 HydrophobicContact CG-CG 4.47Å; L297-Q301 WeakPolarHBondContact O-CB 3.44Å; L297-Q301 VanDerWaalsContact O-CG 3.3Å; L297-Q301 WeakPolarHBondContact O-CG 3.48Å; L297-Q301 PolarHBondContact O-N 2.82Å
298K94.1Very high83.4Confident124 Ų12468.4 Ų68.454%0.53936%0.357SS..Hα-helixtrans-57.9-49.4178.1178.3-171171-166.80111.8E294 Q295 I300 Q301 E302E294-K298 VanDerWaalsContact O-CB 3.27Å; E294-K298 WeakPolarHBondContact O-CB 3.47Å; E294-K298 PolarHBondContact O-N 3.21Å; Q295-K298 PolarHBondContact O-N 2.91Å; K298-I300 VanDerWaalsContact C-N 3.35Å; K298-I300 PolarHBondContact O-N 2.98Å; K298-Q301 PolarHBondContact O-N 3.32Å; K298-E302 WeakPolarHBondContact O-CB 3.19Å; K298-E302 PolarHBondContact O-N 3.38Å
299V95Very high81.2Confident19 Ų1972 Ų7212%0.11537%0.374CS..Hα-helixtrans-64.2-39.1-179175.20000111.6R211 I212 I232 Q295 W296 E302 I303R211-V299 HydrophobicContact CB-CG1 3.79Å; I212-V299 HydrophobicContact CB-CG2 4.33Å; I212-V299 HydrophobicContact CG2-CB 4.13Å; I212-V299 HydrophobicContact CG2-CG1 3.92Å; I212-V299 HydrophobicContact CG2-CG2 4.2Å; I232-V299 HydrophobicContact CD1-CG1 4.39Å; I232-V299 HydrophobicContact CG2-CG1 4.19Å; Q295-V299 PolarHBondContact O-N 3.32Å; W296-V299 PolarHBondContact O-N 3.38Å; V299-E302 PolarHBondContact O-N 3.29Å; V299-I303 HydrophobicContact CG1-CD1 3.98Å; V299-I303 WeakPolarHBondContact O-CD1 3.33Å; V299-I303 VanDerWaalsContact O-CG1 3.32Å; V299-I303 WeakPolarHBondContact O-CG1 3.17Å; V299-I303 PolarHBondContact O-N 2.73Å; V299-I303 VanDerWaalsContact O-N 3.13Å
300I94.4Very high78.5Confident0 Ų077 Ų770%040%0.397CS..Hα-helixtrans-70.2-36.8177.8-58.4158.5000111.3I232 L254 C257 V259 L273 I275 W296 L297 K298 I303 S304I232-I300 HydrophobicContact CD1-CD1 4.18Å; I232-I300 HydrophobicContact CD1-CG1 3.58Å; L254-I300 HydrophobicContact CB-CG2 4.48Å; L254-I300 HydrophobicContact CD1-CG1 4.14Å; L254-I300 HydrophobicContact CD1-CG2 4.29Å; L254-I300 HydrophobicContact CD2-CG2 4Å; C257-I300 WeakPolarHBondContact SG-CG2 2.78Å; V259-I300 HydrophobicContact CG2-CB 4.27Å; V259-I300 HydrophobicContact CG2-CG2 3.49Å; V259-I300 VanDerWaalsContact CG2-CG2 3.49Å; L273-I300 HydrophobicContact CD2-CD1 3.86Å; I275-I300 HydrophobicContact CD1-CD1 3.61Å; I275-I300 HydrophobicContact CG1-CD1 4.12Å; W296-I300 WeakPolarHBondContact O-CD1 3.41Å; W296-I300 VanDerWaalsContact O-CG1 3.29Å; W296-I300 WeakPolarHBondContact O-CG1 3.39Å; W296-I300 PolarHBondContact O-N 2.86Å; L297-I300 PolarHBondContact O-N 3.31Å; K298-I300 VanDerWaalsContact C-N 3.35Å; K298-I300 PolarHBondContact O-N 2.98Å; I300-I303 PolarHBondContact O-N 3.05Å; I300-S304 WeakPolarHBondContact O-CB 3.37Å; I300-S304 PolarHBondContact O-N 3.36Å
301Q91.2Very high75.7Confident112 Ų11278.8 Ų78.852%0.52342%0.421SS..Hα-helixtrans-67.3-34.3175.1-74.7176.1-13.600112.9L297 K298 S304L297-Q301 HydrophobicContact CD1-CG 4.2Å; L297-Q301 HydrophobicContact CG-CG 4.47Å; L297-Q301 WeakPolarHBondContact O-CB 3.44Å; L297-Q301 VanDerWaalsContact O-CG 3.3Å; L297-Q301 WeakPolarHBondContact O-CG 3.48Å; L297-Q301 PolarHBondContact O-N 2.82Å; K298-Q301 PolarHBondContact O-N 3.32Å; Q301-S304 CarbonylContact O-C 3.56Å; Q301-S304 VanDerWaalsContact O-C 3.31Å; Q301-S304 PolarHBondContact O-N 3.08Å
302E89.7Confident72.7Confident111 Ų11180.7 Ų80.752%0.51944%0.435SS..Hα-helixtrans-66.2-39.1173.6-173.4-172.8112.400112R211 K298 V299R211-E302 IonicContact NH1-OE1 3.03Å; R211-E302 PolarHBondContact NH1-OE1 2.86Å; K298-E302 WeakPolarHBondContact O-CB 3.19Å; K298-E302 PolarHBondContact O-N 3.38Å; V299-E302 PolarHBondContact O-N 3.29Å
303I90.4Very high70.3Confident4 Ų485.4 Ų85.42%0.02147%0.466CS..Hα-helixtrans-72.2-31.7175.8-71.5165000112.4I232 H235 L254 L255 V299 I300 P305I232-I303 HydrophobicContact CG2-CD1 3.25Å; H235-I303 HydrophobicContact CB-CG2 3.77Å; L254-I303 HydrophobicContact CB-CG2 3.66Å; L254-I303 HydrophobicContact CD1-CD1 3.99Å; L254-I303 HydrophobicContact CD1-CG2 4.38Å; L255-I303 HydrophobicContact CD2-CG2 4.37Å; L255-I303 WeakPolarHBondContact CD2-O 3.5Å; V299-I303 HydrophobicContact CG1-CD1 3.98Å; V299-I303 WeakPolarHBondContact O-CD1 3.33Å; V299-I303 VanDerWaalsContact O-CG1 3.32Å; V299-I303 WeakPolarHBondContact O-CG1 3.17Å; V299-I303 PolarHBondContact O-N 2.73Å; V299-I303 VanDerWaalsContact O-N 3.13Å; I300-I303 PolarHBondContact O-N 3.05Å; I303-P305 VanDerWaalsContact O-CD 3.26Å; I303-P305 WeakPolarHBondContact O-CD 3.39Å
304S83.3Confident67.3Low14 Ų1493 Ų9310%0.09850%0.502CS..SBendtrans-119.666.5-174.9-172.90000111.7L254 G256 C257 I300 Q301 K306L254-S304 VanDerWaalsContact O-CB 3.25Å; L254-S304 WeakPolarHBondContact O-CB 3.48Å; L254-S304 PolarHBondContact O-OG 2.93Å; G256-S304 VanDerWaalsContact CA-OG 3.3Å; G256-S304 WeakPolarHBondContact CA-OG 3.42Å; G256-S304 PolarHBondContact N-OG 2.65Å; C257-S304 PolarHBondContact N-OG 3.03Å; C257-S304 VanDerWaalsContact N-OG 3.1Å; C257-S304 PolarHBondContact O-OG 3.46Å; I300-S304 WeakPolarHBondContact O-CB 3.37Å; I300-S304 PolarHBondContact O-N 3.36Å; Q301-S304 CarbonylContact O-C 3.56Å; Q301-S304 VanDerWaalsContact O-C 3.31Å; Q301-S304 PolarHBondContact O-N 3.08Å; S304-K306 PolarHBondContact O-N 3.08Å
305P64.4Low64.3Low93 Ų9396.3 Ų96.360%0.60452%0.517SS*.PPolyproline II helixtrans-58.5139.1169.828-34.3000109.1I303I303-P305 VanDerWaalsContact O-CD 3.26Å; I303-P305 WeakPolarHBondContact O-CD 3.39Å
306K51.7Low61.1Low191 Ų19198.9 Ų98.983%0.8354%0.541SS*.PPolyproline II helixtrans-66142.1171.4-65.3176.7-177.6174.40108.6S304 A308S304-K306 PolarHBondContact O-N 3.08Å; K306-A308 PolarHBondContact O-N 2.81Å
307P41.9Very low57.8Low121 Ų121103.5 Ų103.579%0.78658%0.579SS**PPolyproline II helixtrans-58.3136.6169.826.6-33.9000109.5E309P307-E309 PolarHBondContact O-N 2.84Å
308A34.5Very low54.5Low101 Ų101107.2 Ų107.284%0.83561%0.608SS**  trans-81.1104.7-179.700000110.4K306 N310K306-A308 PolarHBondContact O-N 2.81Å; A308-N310 PolarHBondContact O-N 3.49Å
309E43.4Very low51.2Low184 Ų184108.6 Ų108.686%0.8662%0.621SS**  trans-78.199.2164.2-69.1-179.112400108.8P307P307-E309 PolarHBondContact O-N 2.84Å
310N30.5Very low48Very low141 Ų141112.5 Ų112.575%0.75465%0.649SS**  trans-162.499.1163.5-107.2-10.2000111.3A308A308-N310 PolarHBondContact O-N 3.49Å
311C29.9Very low45.1Very low135 Ų135117.8 Ų117.891%0.91268%0.684SS**  trans-154.9109159.5-90.60000106.7
312D28.9Very low42.3Very low164 Ų164122.9 Ų122.988%0.87770%0.698SS**  trans-84.1147.8-174.9-117.7-23.9000111.9
313P41.3Very low39.2Very low103 Ų103124.7 Ų124.767%0.66971%0.71SS**  trans-100.2142.4-179.536.1-30.2000113.2
314Q32.1Very low36.2Very low161 Ų161131.1 Ų131.175%0.75274%0.743SS**  174.6111.7121.9-94.6-166.8-84.200113.6
315H30.1Very low33.4Very low156 Ų156135.9 Ų135.972%0.72278%0.775SS**  trans59.9143.1153.5-43.7-61.1000119.3
316S27.1Very low31.8Very low112 Ų112137.4 Ų137.478%0.78378%0.783SS**  cis-154.3145.633.7-56.30000115.5
317A26Very low30.8Very low97 Ų97136.3 Ų136.380%0.80278%0.778SS**  trans60.3130.714600000123.3
318S25.7Very low30.2Very low109 Ų109133.2 Ų133.276%0.76277%0.769SS**  trans61.1148.2162.6-84.90000119.5
319D23.2Very low29.8Very low152 Ų152134.4 Ų134.481%0.81376%0.761SS**  cis-137.9158.66.4-122.8-5.3000113.4
320S27.7Very low29.2Very low101 Ų101132.6 Ų132.671%0.70676%0.757SS**  trans-152.6124.4171-176.70000113.5
321P34.9Very low29Very low112 Ų112131.5 Ų131.573%0.72775%0.751SS**  trans-131.9148.5150.135.6-22.8000112.9
322R30.7Very low28.9Very low218 Ų218130.9 Ų130.982%0.82373%0.734SS**  cis-176.9-179.8-20.2-125.1172.7-177.5159.21.4108.1
323L25.6Very low29.1Very low149 Ų149131.4 Ų131.478%0.7872%0.724SS**  trans76.6146.8164.4-41.8-174.6000116.5
324I26.9Very low28.4Very low140 Ų140135.4 Ų135.472%0.71873%0.733SS**  cis-154127.6-15.4-112.4164.5000106.1
325C25.1Very low28.1Very low113 Ų113132.6 Ų132.676%0.76473%0.731SS**  69.814885-122.20000115.3
326T30.7Very low27.9Very low125 Ų125132.5 Ų132.577%0.76774%0.735SS**  cis-123.8-1622.258.50000109.6
327K30.9Very low27.8Very low168 Ų168131.3 Ų131.373%0.7373%0.732SS**  cis-157.4-178.71.4-130.6-143.4177.9-171.70106.5D329K327-D329 IonicContact NZ-OD2 2.62Å; K327-D329 PolarHBondContact NZ-OD2 3.34Å
328G27.8Very low28.1Very low57 Ų57132 Ų13259%0.58873%0.731SS**  cis131.5132.7-5.600000114
329D27.8Very low28.3Very low125 Ų125135.7 Ų135.767%0.66874%0.736SS**  trans69.3138.2176-51.2-39.6000117.3K327K327-D329 IonicContact NZ-OD2 2.62Å; K327-D329 PolarHBondContact NZ-OD2 3.34Å
330L29.2Very low28.5Very low147 Ų147134.2 Ų134.277%0.7774%0.738SS**  cis-151.4-165.7-8.4-108.7168.3000106.8
331N26.7Very low28.5Very low118 Ų118132.6 Ų132.663%0.63174%0.737SS**  cis-154.917816.8-161.373.2000112.1
332E28.6Very low28.2Very low121 Ų121133.2 Ų133.257%0.56574%0.744SS**  trans-69.7167164.8-17.4155.5109.800113.1
333R33.3Very low28.1Very low176 Ų176127.8 Ų127.866%0.66474%0.74SS**  cis-144.817512.4-52.8-178.4173.7-145.1-16.9108.7
334H25.3Very low28.8Very low187 Ų187126.8 Ų126.887%0.86674%0.74SS**  cis-133.9-168.710.3-67.598.8000108.5
335S26Very low28.8Very low101 Ų101127.5 Ų127.571%0.70675%0.745SS**  cis69.8139.625.1-104.50000115.8
336L27.3Very low29.2Very low155 Ų155126.3 Ų126.381%0.81274%0.738SS**  cis-137.8165.85.1-83.5170.6000112.2
337A25.3Very low29.1Very low86 Ų86129.2 Ų129.271%0.71174%0.742SS**  trans65.4140.4162.600000117.6
338S30.9Very low29.4Very low112 Ų112126.9 Ų126.978%0.78374%0.743SS**  cis74137.140.8-530000112
339E29.8Very low29.4Very low186 Ų186131.8 Ų131.887%0.86976%0.756SS**  cis-154.4-161.916.456.6-152.27300114.5
340S27.4Very low29.4Very low122 Ų122131.2 Ų131.285%0.85376%0.757SS**  trans-68.1169.6-179.5-59.20000113.2
341G29Very low29.4Very low67 Ų67129.7 Ų129.769%0.69175%0.754SS**  cis151.2173.91.100000111.1
342S27.2Very low29.5Very low125 Ų125131.5 Ų131.587%0.87476%0.758SS**  trans65.3169.3-176.8-125.80000114.8
343S30.2Very low29.5Very low103 Ų103130.5 Ų130.572%0.7276%0.757SS**  cis-143.1177.4-0.2-162.80000111.4
344T38.7Very low29.4Very low128 Ų128130 Ų13079%0.78576%0.759SS**  trans-75.5149.2175.853.30000113.9
345D26.6Very low29.6Very low155 Ų155127.9 Ų127.983%0.82976%0.755SS**  -156.6175.3118.1-151.9-6.6000111
346S34.3Very low29.8Very low88 Ų88128.8 Ų128.862%0.61576%0.756SS**  trans-126.9151.5-175.163.70000111.8
347H28.5Very low30.1Very low186 Ų186130.3 Ų130.386%0.86176%0.756SS**  trans-164.5155.9143.6-117-80.9000111.6
348T37Very low30.5Very low120 Ų120134.5 Ų134.574%0.73676%0.758SS**  trans-97.7146.9177.650.50000111.8
349D28.6Very low30.8Very low160 Ų160136.1 Ų136.186%0.85675%0.751SS**  trans-157.7178.1144.4-131.7-36.3000114.7
350T27.8Very low30.9Very low113 Ų113136.8 Ų136.869%0.69375%0.747SS**  trans-131.7162-153.3-40.10000114.2
351T28.9Very low31Very low115 Ų115134.3 Ų134.371%0.70674%0.74SS**  trans88.6123.4151.41.60000122.1
352E28.7Very low31.6Very low155 Ų155137.6 Ų137.672%0.72475%0.75SS**  trans70.2137.5135.1-97-173.7119.200127.1
353N28.3Very low31.7Very low101 Ų101135.4 Ų135.454%0.5475%0.747SS.*  trans85.5108137-77.7-37.2000124.6
354K32Very low32Very low164 Ų164137.9 Ų137.971%0.71375%0.751SS**  81.5116.4117.6-74175.4-178.1159.60123.7
355D29.8Very low31.8Very low144 Ų144138.9 Ų138.977%0.7775%0.749SS**  84.4163.7126.3-83.1-63.9000122.9
356V30.7Very low32.4Very low120 Ų120140.6 Ų140.673%0.72775%0.749SS**  trans88.276161.9-159.90000119.3
357K32.2Very low32.2Very low186 Ų186141 Ų14181%0.80975%0.752SS**  81.9140.2111-160.3171.9-173.61690121.4
358K34.6Very low32.3Very low174 Ų174138.8 Ų138.876%0.75775%0.746SS**  trans90.796.6148.9-109.4-176.2178.2-175.10121.9
359K35.9Very low32.4Very low147 Ų147140.2 Ų140.264%0.63975%0.749SS**  72.4136118.4-84-170158.8-155.10123.4
360Y31.6Very low32.5Very low200 Ų200140.4 Ų140.478%0.78475%0.746SS**  trans72.2125.2159-61.1-60.7000119.6
361G30.4Very low32.8Very low69 Ų69143 Ų14371%0.71176%0.756SS**  trans-108-146.1146.800000108.8
362P42.3Very low33.4Very low137 Ų137144.7 Ų144.789%0.8976%0.759SS**  cis-118165.1-3.840.2-28.1000113.3
363G29.4Very low33.5Very low79 Ų79140.9 Ų140.981%0.81476%0.762SS**  trans-162.3132.7173.200000112.7
364L35.3Very low34.4Very low154 Ų154145.5 Ų145.581%0.80678%0.777SS**  trans-90.8138.2172.6-71.3136.9000109.6
365M35.8Very low34.5Very low150 Ų150147.5 Ų147.574%0.73979%0.786SS**  172.6173.6107.7-85.8-50.8174.900112.5
366F39.2Very low34.8Very low190 Ų190150.6 Ų150.683%0.83379%0.792SS**  trans-73.2177.4-160.6-57.1-82.8000118.1
367S29.6Very low34.7Very low97 Ų97150.6 Ų150.668%0.67880%0.795SS**  trans92.8101.3158.1-162.10000118.3
368N30.1Very low34.2Very low140 Ų140146.8 Ų146.875%0.74979%0.792SS**  -169.3113.3111.9-87.3-16.8000107.8
369L39.3Very low33.8Very low150 Ų150144.2 Ų144.279%0.78580%0.795SS**  77.3126.388-91.5170000113.7
370M31.6Very low33.4Very low163 Ų163144.4 Ų144.480%0.80380%0.803SS**  trans-56.4142.9174.9-94.166.7144.700111.8
371N32.8Very low33.2Very low167 Ų167142.6 Ų142.689%0.89380%0.802SS**  trans-137.3123.8150.1-102.6-58.2000109.6G373N371-G373 PolarHBondContact O-N 3.04Å
372I42.6Very low33Very low151 Ų151143.8 Ų143.877%0.77480%0.799SS**  trans-92.790.1-169.7-59.4174.7000109.5K374I372-K374 PolarHBondContact O-N 3.42Å
373G29.7Very low32.7Very low76 Ų76143.5 Ų143.578%0.78480%0.797SS**  trans-76.593.9176.400000112.8N371 K375N371-G373 PolarHBondContact O-N 3.04Å; G373-K375 PolarHBondContact O-N 2.96Å
374K47Very low33.1Very low198 Ų198145.5 Ų145.586%0.86179%0.785SS**  trans-50.9111.6-177.2-57.1169.7-176173.70114.3I372I372-K374 PolarHBondContact O-N 3.42Å
375K34.7Very low33.5Very low206 Ų206147.3 Ų147.390%0.89679%0.786SS**  trans-147.8133.7152.3-69.2-163.5177.8-175.70111.4G373G373-K375 PolarHBondContact O-N 2.96Å
376K36.4Very low33.8Very low208 Ų208143.9 Ų143.990%0.90478%0.777SS**  trans-80.6143.8159.9-64.1-175.9177.4-175.30107.7
377P29Very low35.1Very low120 Ų120135.6 Ų135.678%0.77974%0.742SS**  -140.5178.98038.4-22.2000112.3
378S21.2Very low37.3Very low107 Ų107135.3 Ų135.375%0.74873%0.733SS**  cis-166.4150.8-18.543.30000107.9
379S25.8Very low40.1Very low119 Ų119130.3 Ų130.383%0.83271%0.708SS**  trans31.8113.7167.6-1540000119.1
380L28.8Very low42.6Very low152 Ų152124.3 Ų124.380%0.79668%0.678SS**  trans-65.9141.7167.2-168.571000110.9
381E26.9Very low45.6Very low162 Ų162117.1 Ų117.176%0.75765%0.646SS**  trans-137.3129.8169.6-163.7154.3-149.400107.1K421E381-K421 IonicContact OE1-NZ 3.06Å; E381-K421 IonicContact OE2-NZ 3.95Å
382S24.7Very low48.5Very low93 Ų93114 Ų11465%0.6562%0.622SS**  trans-99138.6-156.650.80000114.6E384S382-E384 PolarHBondContact O-N 2.9Å; S382-E384 VanDerWaalsContact O-N 3.08Å
383P36.9Very low51.1Low131 Ų131106.8 Ų106.885%0.85159%0.585SS**  trans-88.670-176.337.5-36.9000113.2
384E37.2Very low54.2Low122 Ų122104.4 Ų104.457%0.5756%0.555SS**SBendtrans-67.6165.2135.6-71.6-165.3129.500108.6S382 S386 R515S382-E384 PolarHBondContact O-N 2.9Å; S382-E384 VanDerWaalsContact O-N 3.08Å; E384-S386 PolarHBondContact O-N 3.2Å; E384-R515 IonicContact OE1-NH1 2.68Å; E384-R515 IonicContact OE2-CZ 2.65Å; E384-R515 IonicContact OE2-NH1 3.83Å; E384-R515 PolarHBondContact OE2-NH1 2.85Å; E384-R515 IonicContact OE2-NH2 2.84Å; E384-R515 PolarHBondContact OE2-NH2 3.25Å
385K43.8Very low56.5Low191 Ų19195 Ų9583%0.8351%0.514SS*.  trans-80.267.4168.2-70.2170.3-172.4148.20109.4
386S43.6Very low59.2Low79 Ų7987.7 Ų87.755%0.55248%0.484SS*.  trans-54138.2167.450.90000109.5E384 D388E384-S386 PolarHBondContact O-N 3.2Å; S386-D388 PolarHBondContact O-N 2.73Å
387V64.6Low61.8Low16 Ų1679 Ų7910%0.09745%0.449CS..  trans-55.6136.8157.3-162.80000106.7T389 L474 L511 M512V387-T389 HydrophobicContact CB-CG2 4.35Å; V387-T389 PolarHBondContact O-N 3.04Å; V387-L474 HydrophobicContact CG1-CD2 3.62Å; V387-L511 HydrophobicContact CB-CD2 4.49Å; V387-L511 HydrophobicContact CG1-CD2 4.28Å; V387-L511 HydrophobicContact CG2-CB 4.32Å; V387-L511 HydrophobicContact CG2-CD2 3.79Å; V387-L511 HydrophobicContact CG2-CG 3.71Å; V387-M512 HydrophobicContact CB-SD 3.93Å; V387-M512 HydrophobicContact CG1-CG 4.33Å; V387-M512 HydrophobicContact CG1-SD 4.23Å; V387-M512 HydrophobicContact CG2-CG 4.28Å; V387-M512 HydrophobicContact CG2-SD 3.87Å
388D77.3Confident64.6Low90 Ų9080.3 Ų80.348%0.48145%0.449SS..  trans-71.689.7171.9-160.8-9000107.7S386 S390 H470S386-D388 PolarHBondContact O-N 2.73Å; D388-S390 VanDerWaalsContact CG-O 3.27Å; D388-S390 PolarHBondContact O-N 3.45Å; D388-S390 VanDerWaalsContact O-N 3.07Å; D388-S390 PolarHBondContact OD1-N 3.31Å; D388-S390 PolarHBondContact OD1-OG 3.03Å; D388-H470 PolarHBondContact O-NE2 2.78Å
389T88.6Confident67.7Low35 Ų3580.7 Ų80.722%0.21545%0.452CS..  trans-75.316.2175.860.40000111.8V387 L407 I408 M512V387-T389 HydrophobicContact CB-CG2 4.35Å; V387-T389 PolarHBondContact O-N 3.04Å; T389-L407 CarbonylContact O-C 3.6Å; T389-L407 WeakPolarHBondContact O-CA 3.27Å; T389-I408 PolarHBondContact O-N 3.1Å; T389-I408 PolarHBondContact OG1-O 3.45Å; T389-M512 HydrophobicContact CG2-CE 3.92Å; T389-M512 HydrophobicContact CG2-SD 3.68Å
390S92Very high70.8Confident24 Ų2481.5 Ų81.517%0.16844%0.442CS..EExtended strand (participates in β ladder)trans-140.1151.8-171.776.10000112.4D388 W405 C406D388-S390 VanDerWaalsContact CG-O 3.27Å; D388-S390 PolarHBondContact O-N 3.45Å; D388-S390 VanDerWaalsContact O-N 3.07Å; D388-S390 PolarHBondContact OD1-N 3.31Å; D388-S390 PolarHBondContact OD1-OG 3.03Å; S390-W405 VanDerWaalsContact CB-CZ2 3.47Å; S390-W405 WeakPolarHBondContact OG-CZ2 3.42Å; S390-C406 WeakPolarHBondContact CA-O 3.46Å; S390-C406 WeakPolarHBondContact CB-O 3.34Å
391G93.7Very high73.8Confident12 Ų1277.1 Ų77.112%0.12442%0.415CS..EExtended strand (participates in β ladder)trans176.2177.4-173.900000112.6W405 C406G391-W405 CarbonylContact O-C 3.6Å; G391-W405 WeakPolarHBondContact O-CA 3.48Å; G391-W405 VanDerWaalsContact O-CE3 3.29Å; G391-C406 PolarHBondContact N-O 3.27Å; G391-C406 PolarHBondContact O-N 3.13Å
392Y95Very high76.9Confident101 Ų10174 Ų7440%0.39640%0.397SS..EExtended strand (participates in β ladder)trans-96.3119.8171-72.4-66.6000110.2T403 C404 W405 K419Y392-T403 HydrophobicContact CD1-CG2 3.92Å; Y392-T403 HydrophobicContact CG-CG2 4.26Å; Y392-C404 WeakPolarHBondContact CA-O 3.2Å; Y392-W405 HydrophobicContact CD1-CB 4.18Å; Y392-W405 AromaticContact CD1-CE3 3.8Å; Y392-W405 HydrophobicContact CD1-CE3 3.8Å; Y392-W405 AromaticContact CD2-CE3 3.9Å; Y392-W405 HydrophobicContact CD2-CE3 3.9Å; Y392-W405 HydrophobicContact CD2-CZ3 4.02Å; Y392-W405 HydrophobicContact CE1-CB 3.92Å; Y392-W405 HydrophobicContact CE1-CD2 4.47Å; Y392-W405 AromaticContact CE1-CE3 3.79Å; Y392-W405 HydrophobicContact CE1-CE3 3.79Å; Y392-W405 AromaticContact CE2-CE3 3.91Å; Y392-W405 HydrophobicContact CE2-CE3 3.91Å; Y392-W405 HydrophobicContact CE2-CZ3 4.15Å; Y392-W405 AromaticContact CG-CE3 3.86Å; Y392-W405 HydrophobicContact CG-CE3 3.86Å; Y392-W405 HydrophobicContact CG-CZ3 4.31Å; Y392-W405 AromaticContact CZ-CE3 3.86Å; Y392-K419 HydrophobicContact CE2-CD 4.26Å; Y392-K419 HydrophobicContact CE2-CG 4.41Å
393L96.1Very high80.2Confident0 Ų073 Ų730%039%0.387CS..EExtended strand (participates in β ladder)trans-111154164-72.8170.9000109.1T403 C404 C406 F448 L460 E461 A462 W471L393-T403 CarbonylContact O-C 3.49Å; L393-T403 WeakPolarHBondContact O-CA 3.19Å; L393-C404 PolarHBondContact N-O 3.25Å; L393-C404 VanDerWaalsContact N-O 3.16Å; L393-C404 PolarHBondContact O-N 3.26Å; L393-C406 HydrophobicContact CD1-CB 4.3Å; L393-F448 HydrophobicContact CD1-CZ 4.16Å; L393-F448 HydrophobicContact CD2-CE1 4.27Å; L393-F448 HydrophobicContact CD2-CZ 4.06Å; L393-L460 HydrophobicContact CD1-CB 4.42Å; L393-L460 HydrophobicContact CD1-CD1 4.18Å; L393-L460 HydrophobicContact CD1-CD2 4.5Å; L393-E461 WeakPolarHBondContact CD2-O 3.38Å; L393-A462 HydrophobicContact CD2-CB 4Å; L393-W471 HydrophobicContact CD1-CD2 3.72Å; L393-W471 HydrophobicContact CD1-CE3 4.01Å; L393-W471 HydrophobicContact CD1-CG 4.1Å; L393-W471 HydrophobicContact CD1-CH2 4.43Å; L393-W471 HydrophobicContact CD1-CZ2 4.15Å; L393-W471 HydrophobicContact CD1-CZ3 4.36Å; L393-W471 HydrophobicContact CD2-CD2 4.26Å; L393-W471 HydrophobicContact CD2-CG 3.91Å; L393-W471 HydrophobicContact CG-CD2 4.08Å; L393-W471 HydrophobicContact CG-CG 4.27Å; L393-W471 HydrophobicContact CG-CZ2 4.1Å
394N94.8Very high83Confident27 Ų2766.9 Ų66.914%0.14435%0.347CS..EExtended strand (participates in β ladder)trans-83.1138.8159.4-71.4-18.8000108.3W401 T403 L460 E461N394-W401 HydrophobicContact CB-CE3 3.92Å; N394-W401 HydrophobicContact CB-CZ3 4.48Å; N394-T403 WeakPolarHBondContact OD1-CA 3.04Å; N394-T403 WeakPolarHBondContact OD1-CB 3.34Å; N394-T403 PolarHBondContact OD1-OG1 2.84Å; N394-L460 CarbonylContact O-C 3.4Å; N394-L460 WeakPolarHBondContact O-CA 3.21Å; N394-E461 HydrophobicContact CB-CB 4.02Å; N394-E461 HydrophobicContact CB-CG 4.44Å; N394-E461 WeakPolarHBondContact CB-OE2 3.49Å; N394-E461 PolarHBondContact N-O 2.91Å; N394-E461 PolarHBondContact ND2-OE2 2.68Å; N394-E461 PolarHBondContact O-N 3.46Å
395V94.7Very high85.7Confident1 Ų161.7 Ų61.71%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-125.5128.4-177.7-172.70000108.7V397 W401 R402 C404 F415 L460V395-V397 HydrophobicContact CB-CG2 4.33Å; V395-V397 HydrophobicContact CG1-CG2 3.78Å; V395-V397 PolarHBondContact O-N 2.89Å; V395-W401 CarbonylContact O-C 3.57Å; V395-W401 WeakPolarHBondContact O-CA 3.27Å; V395-R402 PolarHBondContact N-O 3.12Å; V395-R402 PolarHBondContact O-N 3.46Å; V395-C404 HydrophobicContact CG2-CB 3.77Å; V395-F415 HydrophobicContact CG1-CE1 4.34Å; V395-F415 HydrophobicContact CG2-CD1 3.86Å; V395-F415 HydrophobicContact CG2-CE1 3.9Å; V395-L460 HydrophobicContact CB-CD2 4.26Å; V395-L460 HydrophobicContact CG1-CD2 3.96Å; V395-L460 HydrophobicContact CG2-CD2 3.81Å
396L93.2Very high88.1Confident52 Ų5252.6 Ų52.627%0.27228%0.283SS..EExtended strand (participates in β ladder)trans-81114.8177-172.662.9000109.4W401 I441 T459L396-W401 HydrophobicContact CB-CD2 4.1Å; L396-W401 HydrophobicContact CB-CE3 3.89Å; L396-W401 HydrophobicContact CB-CH2 4.08Å; L396-W401 HydrophobicContact CB-CZ2 4.28Å; L396-W401 HydrophobicContact CB-CZ3 3.86Å; L396-W401 HydrophobicContact CD1-CD2 4.04Å; L396-W401 HydrophobicContact CD1-CG 4.16Å; L396-I441 HydrophobicContact CD2-CD1 4.39Å; L396-T459 PolarHBondContact N-O 3.35Å
397V89.9Confident90.6Very high26 Ų2649.7 Ų49.716%0.15826%0.261CS..EExtended strand (participates in β ladder)trans-137.2130178.7-1640000109.5V395 S399 Q400V395-V397 HydrophobicContact CB-CG2 4.33Å; V395-V397 HydrophobicContact CG1-CG2 3.78Å; V395-V397 PolarHBondContact O-N 2.89Å; V397-S399 PolarHBondContact O-N 3.03Å; V397-Q400 PolarHBondContact N-O 3.09Å; V397-Q400 PolarHBondContact O-N 2.98Å; V397-Q400 VanDerWaalsContact O-O 3.09Å
398N87.2Confident92Very high146 Ų14649.2 Ų49.278%0.78126%0.258SS*.THydrogen-bonded Turntrans50.842.2-174.1-56.3-13.5000112.2Q400N398-Q400 PolarHBondContact O-N 2.69Å
399S87.6Confident92.6Very high115 Ų11550.6 Ų50.680%0.80426%0.259SS*.THydrogen-bonded Turntrans58.523.6-175.2-520000115.2V397V397-S399 PolarHBondContact O-N 3.03Å
400Q89.5Confident92.5Very high136 Ų13655.1 Ų55.164%0.63628%0.282SS*.EExtended strand (participates in β ladder)trans-127.1131.7173.9-64.8-175.1-6.700111.4V397 N398V397-Q400 PolarHBondContact N-O 3.09Å; V397-Q400 PolarHBondContact O-N 2.98Å; V397-Q400 VanDerWaalsContact O-O 3.09Å; N398-Q400 PolarHBondContact O-N 2.69Å
401W93.4Very high92.4Very high60 Ų6055 Ų5523%0.22729%0.285CS..EExtended strand (participates in β ladder)trans-73.9128.8173.9-70.5106.9000111.3N394 V395 L396 I441 H444 T459 E461N394-W401 HydrophobicContact CB-CE3 3.92Å; N394-W401 HydrophobicContact CB-CZ3 4.48Å; V395-W401 CarbonylContact O-C 3.57Å; V395-W401 WeakPolarHBondContact O-CA 3.27Å; L396-W401 HydrophobicContact CB-CD2 4.1Å; L396-W401 HydrophobicContact CB-CE3 3.89Å; L396-W401 HydrophobicContact CB-CH2 4.08Å; L396-W401 HydrophobicContact CB-CZ2 4.28Å; L396-W401 HydrophobicContact CB-CZ3 3.86Å; L396-W401 HydrophobicContact CD1-CD2 4.04Å; L396-W401 HydrophobicContact CD1-CG 4.16Å; W401-I441 HydrophobicContact CZ2-CD1 4.09Å; W401-H444 AromaticContact CD1-CE1 3.27Å; W401-H444 AromaticContact CD1-ND1 3.93Å; W401-H444 AromaticContact CD1-NE2 3.27Å; W401-H444 VanDerWaalsContact CD1-NE2 3.27Å; W401-H444 AromaticContact CE2-CD2 3.99Å; W401-H444 AromaticContact CE2-CE1 3.92Å; W401-H444 AromaticContact CE2-CG 3.83Å; W401-H444 AromaticContact CE2-ND1 3.8Å; W401-H444 AromaticContact CG-CE1 3.98Å; W401-H444 HydrophobicContact CZ2-CB 4.17Å; W401-H444 AromaticContact CZ2-CG 3.94Å; W401-H444 AromaticContact NE1-CD2 3.24Å; W401-H444 PolarHBondContact NE1-CD2 2.94Å; W401-H444 AromaticContact NE1-CE1 3.21Å; W401-H444 PolarHBondContact NE1-CE1 2.93Å; W401-H444 AromaticContact NE1-CG 3.52Å; W401-H444 AromaticContact NE1-ND1 3.5Å; W401-H444 AromaticContact NE1-NE2 3Å; W401-H444 PolarHBondContact NE1-NE2 3.45Å; W401-T459 HydrophobicContact CH2-CG2 4.11Å; W401-E461 HydrophobicContact CE3-CB 4.18Å; W401-E461 HydrophobicContact CH2-CB 3.73Å; W401-E461 HydrophobicContact CZ2-CB 4.42Å; W401-E461 HydrophobicContact CZ3-CB 3.6Å
402R91.7Very high92.4Very high97 Ų9757.1 Ų57.137%0.36629%0.291SS..EExtended strand (participates in β ladder)trans-133.3120.7-179.9-55.6-172.2-57.1176.49110V395 C404V395-R402 PolarHBondContact N-O 3.12Å; V395-R402 PolarHBondContact O-N 3.46Å; R402-C404 PolarHBondContact O-N 3.39Å; R402-C404 PolarHBondContact O-SG 3.38Å; R402-C404 VanDerWaalsContact O-SG 3.36Å
403T94.1Very high92.4Very high73 Ų7352.3 Ų52.345%0.44827%0.273SS..EExtended strand (participates in β ladder)trans-63.7118174.8-49.90000109.9Y392 L393 N394Y392-T403 HydrophobicContact CD1-CG2 3.92Å; Y392-T403 HydrophobicContact CG-CG2 4.26Å; L393-T403 CarbonylContact O-C 3.49Å; L393-T403 WeakPolarHBondContact O-CA 3.19Å; N394-T403 WeakPolarHBondContact OD1-CA 3.04Å; N394-T403 WeakPolarHBondContact OD1-CB 3.34Å; N394-T403 PolarHBondContact OD1-OG1 2.84Å
404C94.1Very high92.3Very high1 Ų156 Ų561%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-119.9145.8178.2-60.60000110.1Y392 L393 V395 R402 C406 Y416 S425Y392-C404 WeakPolarHBondContact CA-O 3.2Å; L393-C404 PolarHBondContact N-O 3.25Å; L393-C404 VanDerWaalsContact N-O 3.16Å; L393-C404 PolarHBondContact O-N 3.26Å; V395-C404 HydrophobicContact CG2-CB 3.77Å; R402-C404 PolarHBondContact O-N 3.39Å; R402-C404 PolarHBondContact O-SG 3.38Å; R402-C404 VanDerWaalsContact O-SG 3.36Å; C404-C406 PolarHBondContact O-N 3.11Å; C404-Y416 CarbonylContact C-O 3.51Å; C404-Y416 WeakPolarHBondContact CA-O 3.43Å; C404-S425 PolarHBondContact SG-OG 3.47Å
405W94.6Very high92.3Very high14 Ų1454.8 Ų54.85%0.05328%0.28CS..EExtended strand (participates in β ladder)trans-79.8108.4168.1-179.1-104.9000108.8S390 G391 Y392 Y416 K419S390-W405 VanDerWaalsContact CB-CZ2 3.47Å; S390-W405 WeakPolarHBondContact OG-CZ2 3.42Å; G391-W405 CarbonylContact O-C 3.6Å; G391-W405 WeakPolarHBondContact O-CA 3.48Å; G391-W405 VanDerWaalsContact O-CE3 3.29Å; Y392-W405 HydrophobicContact CD1-CB 4.18Å; Y392-W405 AromaticContact CD1-CE3 3.8Å; Y392-W405 HydrophobicContact CD1-CE3 3.8Å; Y392-W405 AromaticContact CD2-CE3 3.9Å; Y392-W405 HydrophobicContact CD2-CE3 3.9Å; Y392-W405 HydrophobicContact CD2-CZ3 4.02Å; Y392-W405 HydrophobicContact CE1-CB 3.92Å; Y392-W405 HydrophobicContact CE1-CD2 4.47Å; Y392-W405 AromaticContact CE1-CE3 3.79Å; Y392-W405 HydrophobicContact CE1-CE3 3.79Å; Y392-W405 AromaticContact CE2-CE3 3.91Å; Y392-W405 HydrophobicContact CE2-CE3 3.91Å; Y392-W405 HydrophobicContact CE2-CZ3 4.15Å; Y392-W405 AromaticContact CG-CE3 3.86Å; Y392-W405 HydrophobicContact CG-CE3 3.86Å; Y392-W405 HydrophobicContact CG-CZ3 4.31Å; Y392-W405 AromaticContact CZ-CE3 3.86Å; W405-Y416 PolarHBondContact N-O 3.18Å; W405-Y416 PolarHBondContact O-N 3.1Å; W405-K419 HydrophobicContact CD2-CB 4.35Å; W405-K419 HydrophobicContact CD2-CG 3.48Å; W405-K419 VanDerWaalsContact CD2-CG 3.48Å; W405-K419 HydrophobicContact CE3-CD 4.32Å; W405-K419 HydrophobicContact CE3-CG 3.48Å; W405-K419 VanDerWaalsContact CE3-CG 3.48Å; W405-K419 HydrophobicContact CG-CG 4.13Å; W405-K419 HydrophobicContact CH2-CD 4.48Å; W405-K419 HydrophobicContact CH2-CG 4.07Å; W405-K419 HydrophobicContact CZ2-CG 3.94Å; W405-K419 HydrophobicContact CZ3-CD 4.22Å; W405-K419 VanDerWaalsContact CZ3-CE 3.41Å; W405-K419 HydrophobicContact CZ3-CG 3.8Å
406C95.3Very high92.3Very high0 Ų056.2 Ų56.20%029%0.285CS..EExtended strand (participates in β ladder)trans-94.3147.7-177.5-61.20000110.5S390 G391 L393 C404 L413 W414 F415 W471S390-C406 WeakPolarHBondContact CA-O 3.46Å; S390-C406 WeakPolarHBondContact CB-O 3.34Å; G391-C406 PolarHBondContact N-O 3.27Å; G391-C406 PolarHBondContact O-N 3.13Å; L393-C406 HydrophobicContact CD1-CB 4.3Å; C404-C406 PolarHBondContact O-N 3.11Å; C406-L413 HydrophobicContact CB-CD1 4.12Å; C406-W414 CarbonylContact C-O 3.54Å; C406-W414 VanDerWaalsContact CA-O 3.29Å; C406-W414 WeakPolarHBondContact CA-O 3.33Å; C406-F415 VanDerWaalsContact SG-CD1 3.55Å; C406-W471 HydrophobicContact CB-CH2 3.54Å; C406-W471 HydrophobicContact CB-CZ2 3.98Å; C406-W471 HydrophobicContact CB-CZ3 4.25Å
407L94.5Very high92.1Very high18 Ų1859.7 Ų59.79%0.09430%0.3CS..EExtended strand (participates in β ladder)trans-147122.2179.1170.666.7000110.3T389 K409 W414 Y416T389-L407 CarbonylContact O-C 3.6Å; T389-L407 WeakPolarHBondContact O-CA 3.27Å; L407-K409 HydrophobicContact CG-CB 4.35Å; L407-W414 HydrophobicContact CB-CB 4.39Å; L407-W414 PolarHBondContact N-O 3.39Å; L407-W414 WeakPolarHBondContact O-CB 3.43Å; L407-W414 PolarHBondContact O-N 2.87Å; L407-Y416 HydrophobicContact CB-CE2 4.15Å; L407-Y416 HydrophobicContact CD2-CE2 4.13Å
408I94.1Very high92.1Very high6 Ų660.9 Ų60.93%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-87.1121.3169.7-66.6165.1000108.6T389 Q412 L413 L431 W471 L474 L475 Q478T389-I408 PolarHBondContact O-N 3.1Å; T389-I408 PolarHBondContact OG1-O 3.45Å; I408-Q412 WeakPolarHBondContact CA-O 3.37Å; I408-L413 HydrophobicContact CG1-CD1 3.74Å; I408-L431 HydrophobicContact CG1-CD1 4.25Å; I408-L431 HydrophobicContact CG2-CD1 4.27Å; I408-W471 HydrophobicContact CD1-CE3 4.15Å; I408-W471 HydrophobicContact CD1-CZ3 3.8Å; I408-W471 HydrophobicContact CG1-CZ3 4.11Å; I408-L474 HydrophobicContact CD1-CB 3.65Å; I408-L474 HydrophobicContact CD1-CD1 4.25Å; I408-L475 HydrophobicContact CD1-CD2 3.69Å; I408-L475 HydrophobicContact CD1-CG 4.17Å; I408-L475 HydrophobicContact CG1-CD2 4.24Å; I408-Q478 HydrophobicContact CG2-CG 3.9Å
409K90.7Very high92.2Very high118 Ų11859.3 Ų59.351%0.51329%0.292SS..EExtended strand (participates in β ladder)trans-151.8136.6178.5176.6170.6179.8179.50110.4L407 G411 Q412L407-K409 HydrophobicContact CG-CB 4.35Å; K409-G411 VanDerWaalsContact C-N 3.31Å; K409-G411 PolarHBondContact O-N 2.84Å; K409-Q412 PolarHBondContact N-O 3.05Å; K409-Q412 PolarHBondContact O-N 3.05Å; K409-Q412 VanDerWaalsContact O-O 3.09Å
410N87Confident92Very high131 Ų13155.9 Ų55.970%0.70128%0.275SS*.THydrogen-bonded Turntrans53.241.6177.3-59.419.1000113.3Q412N410-Q412 PolarHBondContact O-N 2.91Å
411G88.4Confident91.7Very high21 Ų2153.3 Ų53.322%0.21626%0.262CS..THydrogen-bonded Turntrans69.69.2-17600000115.1K409 L431K409-G411 VanDerWaalsContact C-N 3.31Å; K409-G411 PolarHBondContact O-N 2.84Å; G411-L431 WeakPolarHBondContact O-CB 3.42Å; G411-L431 PolarHBondContact O-N 3.37Å
412Q93.8Very high90.9Very high57 Ų5756.7 Ų56.727%0.26628%0.284SS..EExtended strand (participates in β ladder)trans-120.9141.6-179.9-54.4-170.5-5800112.1I408 K409 N410 V429 T430I408-Q412 WeakPolarHBondContact CA-O 3.37Å; K409-Q412 PolarHBondContact N-O 3.05Å; K409-Q412 PolarHBondContact O-N 3.05Å; K409-Q412 VanDerWaalsContact O-O 3.09Å; N410-Q412 PolarHBondContact O-N 2.91Å; Q412-V429 CarbonylContact C-O 3.6Å; Q412-V429 VanDerWaalsContact CA-O 3.27Å; Q412-V429 WeakPolarHBondContact CA-O 3.39Å; Q412-T430 PolarHBondContact NE2-OG1 3.4Å
413L95.4Very high90.7Very high0 Ų058.4 Ų58.40%029%0.294CS..EExtended strand (participates in β ladder)trans-91.4111170179.264.4000109.8C406 I408 F415 A428 V429 L431 I450 L460 W471 L475C406-L413 HydrophobicContact CB-CD1 4.12Å; I408-L413 HydrophobicContact CG1-CD1 3.74Å; L413-F415 HydrophobicContact CD2-CE1 3.98Å; L413-F415 HydrophobicContact CD2-CE2 4.07Å; L413-F415 HydrophobicContact CD2-CZ 3.38Å; L413-F415 HydrophobicContact CG-CE1 4.15Å; L413-F415 HydrophobicContact CG-CE2 3.92Å; L413-F415 HydrophobicContact CG-CZ 3.63Å; L413-F415 WeakPolarHBondContact O-CE2 3.23Å; L413-A428 WeakPolarHBondContact O-CA 3.43Å; L413-V429 HydrophobicContact CB-CB 4.49Å; L413-V429 PolarHBondContact N-O 2.95Å; L413-V429 PolarHBondContact O-N 3.33Å; L413-L431 HydrophobicContact CB-CD1 4.24Å; L413-L431 HydrophobicContact CB-CD2 3.94Å; L413-L431 HydrophobicContact CB-CG 4.24Å; L413-I450 HydrophobicContact CD2-CD1 3.67Å; L413-L460 HydrophobicContact CD2-CD1 3.93Å; L413-W471 HydrophobicContact CD1-CZ3 4.04Å; L413-L475 HydrophobicContact CD1-CD2 4.41Å; L413-L475 HydrophobicContact CD2-CD2 4.03Å
414W94.8Very high90.4Very high77 Ų7758.2 Ų58.229%0.29229%0.293SS..EExtended strand (participates in β ladder)trans-95.1142.1178.3-69.376.8000111.4C406 L407 Y416 A428C406-W414 CarbonylContact C-O 3.54Å; C406-W414 VanDerWaalsContact CA-O 3.29Å; C406-W414 WeakPolarHBondContact CA-O 3.33Å; L407-W414 HydrophobicContact CB-CB 4.39Å; L407-W414 PolarHBondContact N-O 3.39Å; L407-W414 WeakPolarHBondContact O-CB 3.43Å; L407-W414 PolarHBondContact O-N 2.87Å; W414-Y416 HydrophobicContact CB-CD2 4.37Å; W414-Y416 HydrophobicContact CB-CE2 3.54Å; W414-Y416 HydrophobicContact CG-CE2 4.42Å; W414-A428 HydrophobicContact CD2-CB 3.66Å; W414-A428 HydrophobicContact CE3-CB 3.9Å; W414-A428 HydrophobicContact CG-CB 4.08Å; W414-A428 HydrophobicContact CH2-CB 4.21Å; W414-A428 HydrophobicContact CZ2-CB 3.99Å; W414-A428 HydrophobicContact CZ3-CB 4.18Å
415F94.9Very high89.9Confident1 Ų159.9 Ų59.90%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-120.4116.4-178.7-60.7-86.1000110.9V395 C406 L413 V424 S425 Q426 P427 V429 L460V395-F415 HydrophobicContact CG1-CE1 4.34Å; V395-F415 HydrophobicContact CG2-CD1 3.86Å; V395-F415 HydrophobicContact CG2-CE1 3.9Å; C406-F415 VanDerWaalsContact SG-CD1 3.55Å; L413-F415 HydrophobicContact CD2-CE1 3.98Å; L413-F415 HydrophobicContact CD2-CE2 4.07Å; L413-F415 HydrophobicContact CD2-CZ 3.38Å; L413-F415 HydrophobicContact CG-CE1 4.15Å; L413-F415 HydrophobicContact CG-CE2 3.92Å; L413-F415 HydrophobicContact CG-CZ 3.63Å; L413-F415 WeakPolarHBondContact O-CE2 3.23Å; F415-V424 CarbonylContact O-C 3.52Å; F415-V424 WeakPolarHBondContact O-CA 3.47Å; F415-S425 PolarHBondContact O-N 2.94Å; F415-Q426 HydrophobicContact CB-CG 3.58Å; F415-Q426 HydrophobicContact CD1-CG 4.37Å; F415-Q426 HydrophobicContact CD2-CG 3.56Å; F415-Q426 VanDerWaalsContact CD2-NE2 3.34Å; F415-Q426 HydrophobicContact CE2-CG 4.31Å; F415-Q426 VanDerWaalsContact CE2-NE2 3.26Å; F415-Q426 HydrophobicContact CG-CG 3.58Å; F415-P427 WeakPolarHBondContact CD2-O 3.46Å; F415-V429 HydrophobicContact CE2-CB 4.43Å; F415-V429 HydrophobicContact CE2-CG2 3.92Å; F415-L460 HydrophobicContact CE1-CD2 3.7Å; F415-L460 HydrophobicContact CZ-CD2 4.13Å
416Y93.2Very high89.6Confident31 Ų3160.7 Ų60.712%0.12231%0.309CS..EExtended strand (participates in β ladder)trans-113.7154.5177.7-58.2-84.1000111.2C404 W405 L407 W414 D418 K421 K423 V424C404-Y416 CarbonylContact C-O 3.51Å; C404-Y416 WeakPolarHBondContact CA-O 3.43Å; W405-Y416 PolarHBondContact N-O 3.18Å; W405-Y416 PolarHBondContact O-N 3.1Å; L407-Y416 HydrophobicContact CB-CE2 4.15Å; L407-Y416 HydrophobicContact CD2-CE2 4.13Å; W414-Y416 HydrophobicContact CB-CD2 4.37Å; W414-Y416 HydrophobicContact CB-CE2 3.54Å; W414-Y416 HydrophobicContact CG-CE2 4.42Å; Y416-D418 PolarHBondContact O-N 3.04Å; Y416-K421 HydrophobicContact CD1-CB 3.87Å; Y416-K421 HydrophobicContact CD2-CG 4.3Å; Y416-K421 HydrophobicContact CE1-CB 3.86Å; Y416-K421 HydrophobicContact CE1-CG 4.49Å; Y416-K421 HydrophobicContact CE2-CG 4.29Å; Y416-K421 HydrophobicContact CG-CB 4.21Å; Y416-K421 HydrophobicContact CG-CG 4.4Å; Y416-K423 CarbonylContact C-O 3.31Å; Y416-K423 WeakPolarHBondContact CA-O 3.48Å; Y416-V424 HydrophobicContact CD1-CG2 4.11Å; Y416-V424 HydrophobicContact CE1-CG2 3.88Å
417Q90.6Very high89.3Confident126 Ų12666 Ų6659%0.58934%0.343SS*.SBendtrans-69.5-26.1172.6-170.3169.88.100111.8K423Q417-K423 HydrophobicContact CB-CB 4.41Å; Q417-K423 PolarHBondContact N-O 3.46Å
418D89.4Confident89.2Confident50 Ų5066.5 Ų66.527%0.26735%0.35SS..SBendtrans-150.9163.5-173.774.2-32.5000113.9Y416 G420 K421 N422Y416-D418 PolarHBondContact O-N 3.04Å; D418-G420 PolarHBondContact O-N 3.34Å; D418-G420 VanDerWaalsContact O-N 3.17Å; D418-G420 PolarHBondContact OD2-N 2.78Å; D418-K421 PolarHBondContact O-N 3.01Å; D418-K421 PolarHBondContact OD1-N 3.23Å; D418-N422 WeakPolarHBondContact OD1-CB 3.21Å; D418-N422 PolarHBondContact OD1-N 3.07Å; D418-N422 PolarHBondContact OD2-ND2 3.34Å
419K88Confident89.2Confident113 Ų11366.9 Ų66.949%0.49135%0.353SS..THydrogen-bonded Turntrans-57-24.9172.7-88175.9173.7-73.90113.9Y392 W405 K421Y392-K419 HydrophobicContact CE2-CD 4.26Å; Y392-K419 HydrophobicContact CE2-CG 4.41Å; W405-K419 HydrophobicContact CD2-CB 4.35Å; W405-K419 HydrophobicContact CD2-CG 3.48Å; W405-K419 VanDerWaalsContact CD2-CG 3.48Å; W405-K419 HydrophobicContact CE3-CD 4.32Å; W405-K419 HydrophobicContact CE3-CG 3.48Å; W405-K419 VanDerWaalsContact CE3-CG 3.48Å; W405-K419 HydrophobicContact CG-CG 4.13Å; W405-K419 HydrophobicContact CH2-CD 4.48Å; W405-K419 HydrophobicContact CH2-CG 4.07Å; W405-K419 HydrophobicContact CZ2-CG 3.94Å; W405-K419 HydrophobicContact CZ3-CD 4.22Å; W405-K419 VanDerWaalsContact CZ3-CE 3.41Å; W405-K419 HydrophobicContact CZ3-CG 3.8Å; K419-K421 PolarHBondContact O-N 2.59Å
420G83.8Confident89.3Confident44 Ų4464.4 Ų64.445%0.45435%0.348SS..THydrogen-bonded Turntrans-69.4-7.7176.700000114D418 N422D418-G420 PolarHBondContact O-N 3.34Å; D418-G420 VanDerWaalsContact O-N 3.17Å; D418-G420 PolarHBondContact OD2-N 2.78Å; G420-N422 PolarHBondContact O-N 2.84Å; G420-N422 VanDerWaalsContact O-N 3.16Å
421K84.6Confident89.6Confident81 Ų8158.2 Ų58.235%0.35231%0.314SS..  trans58.822.2-175.7-52.7166.2-170.4168.30111E381 Y416 D418 K419 K423E381-K421 IonicContact OE1-NZ 3.06Å; E381-K421 IonicContact OE2-NZ 3.95Å; Y416-K421 HydrophobicContact CD1-CB 3.87Å; Y416-K421 HydrophobicContact CD2-CG 4.3Å; Y416-K421 HydrophobicContact CE1-CB 3.86Å; Y416-K421 HydrophobicContact CE1-CG 4.49Å; Y416-K421 HydrophobicContact CE2-CG 4.29Å; Y416-K421 HydrophobicContact CG-CB 4.21Å; Y416-K421 HydrophobicContact CG-CG 4.4Å; D418-K421 PolarHBondContact O-N 3.01Å; D418-K421 PolarHBondContact OD1-N 3.23Å; K419-K421 PolarHBondContact O-N 2.59Å; K421-K423 PolarHBondContact O-N 3.21Å
422N76Confident89.7Confident131 Ų13164.4 Ų64.470%0.70134%0.338SS*.  trans-73.3-29.8-166.6-74.9-57.6000113.1D418 G420D418-N422 WeakPolarHBondContact OD1-CB 3.21Å; D418-N422 PolarHBondContact OD1-N 3.07Å; D418-N422 PolarHBondContact OD2-ND2 3.34Å; G420-N422 PolarHBondContact O-N 2.84Å; G420-N422 VanDerWaalsContact O-N 3.16Å
423K86.6Confident89.4Confident133 Ų13364.1 Ų64.158%0.57835%0.35SS*.SBendtrans-144.2129.4178-171.1175177.9-175.20110.3Y416 Q417 K421Y416-K423 CarbonylContact C-O 3.31Å; Y416-K423 WeakPolarHBondContact CA-O 3.48Å; Q417-K423 HydrophobicContact CB-CB 4.41Å; Q417-K423 PolarHBondContact N-O 3.46Å; K421-K423 PolarHBondContact O-N 3.21Å
424V87.9Confident89.3Confident70 Ų7064.1 Ų64.142%0.42435%0.35SS..EExtended strand (participates in β ladder)trans-70.7131.6171175.50000109F415 Y416 Q426F415-V424 CarbonylContact O-C 3.52Å; F415-V424 WeakPolarHBondContact O-CA 3.47Å; Y416-V424 HydrophobicContact CD1-CG2 4.11Å; Y416-V424 HydrophobicContact CE1-CG2 3.88Å; V424-Q426 WeakPolarHBondContact CG1-O 3.46Å
425S84.9Confident89.2Confident36 Ų3662.7 Ų62.725%0.25235%0.352SS..EExtended strand (participates in β ladder)trans-86.2-35.7-176.3-169.20000112.3C404 F415C404-S425 PolarHBondContact SG-OG 3.47Å; F415-S425 PolarHBondContact O-N 2.94Å
426Q88.1Confident89.2Confident31 Ų3162.8 Ų62.815%0.14535%0.352CS..EExtended strand (participates in β ladder)trans-159.7166.117865.5-17930.700109.5F415 V424F415-Q426 HydrophobicContact CB-CG 3.58Å; F415-Q426 HydrophobicContact CD1-CG 4.37Å; F415-Q426 HydrophobicContact CD2-CG 3.56Å; F415-Q426 VanDerWaalsContact CD2-NE2 3.34Å; F415-Q426 HydrophobicContact CE2-CG 4.31Å; F415-Q426 VanDerWaalsContact CE2-NE2 3.26Å; F415-Q426 HydrophobicContact CG-CG 3.58Å; V424-Q426 WeakPolarHBondContact CG1-O 3.46Å
427P88.9Confident89.2Confident111 Ų11164 Ų6472%0.72136%0.361SS*.EExtended strand (participates in β ladder)trans-52.8150.5178.3-26.936.3000113.6F415F415-P427 WeakPolarHBondContact CD2-O 3.46Å
428A92.4Very high89.3Confident29 Ų2959 Ų5924%0.2434%0.339CS..EExtended strand (participates in β ladder)trans-72.3140.4172.300000110.4L413 W414L413-A428 WeakPolarHBondContact O-CA 3.43Å; W414-A428 HydrophobicContact CD2-CB 3.66Å; W414-A428 HydrophobicContact CE3-CB 3.9Å; W414-A428 HydrophobicContact CG-CB 4.08Å; W414-A428 HydrophobicContact CH2-CB 4.21Å; W414-A428 HydrophobicContact CZ2-CB 3.99Å; W414-A428 HydrophobicContact CZ3-CB 4.18Å
429V93.7Very high89.5Confident13 Ų1358.1 Ų58.18%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-101.5116.6179.8172.90000108.7Q412 L413 F415 L431 I450 I457Q412-V429 CarbonylContact C-O 3.6Å; Q412-V429 VanDerWaalsContact CA-O 3.27Å; Q412-V429 WeakPolarHBondContact CA-O 3.39Å; L413-V429 HydrophobicContact CB-CB 4.49Å; L413-V429 PolarHBondContact N-O 2.95Å; L413-V429 PolarHBondContact O-N 3.33Å; F415-V429 HydrophobicContact CE2-CB 4.43Å; F415-V429 HydrophobicContact CE2-CG2 3.92Å; V429-L431 HydrophobicContact CG1-CD2 4.45Å; V429-L431 PolarHBondContact O-N 3.27Å; V429-I450 HydrophobicContact CG1-CG2 4.32Å; V429-I457 HydrophobicContact CB-CG2 4.4Å; V429-I457 HydrophobicContact CG1-CG2 3.9Å; V429-I457 HydrophobicContact CG2-CG2 3.61Å
430T93.6Very high89.7Confident67 Ų6755.6 Ų55.641%0.41133%0.33SS..EExtended strand (participates in β ladder)trans-65.5126.4168.1-59.90000108.8Q412 E432 C434Q412-T430 PolarHBondContact NE2-OG1 3.4Å; T430-E432 HydrophobicContact CG2-CB 4.25Å; T430-C434 PolarHBondContact O-SG 3.05Å
431L93.1Very high89.8Confident0 Ų056.4 Ų56.40%032%0.323CS..  trans-89.2-28.3-173.5-62.9173.1000112.8I408 G411 L413 V429 G433 C434 I450 L475 Q478 T479I408-L431 HydrophobicContact CG1-CD1 4.25Å; I408-L431 HydrophobicContact CG2-CD1 4.27Å; G411-L431 WeakPolarHBondContact O-CB 3.42Å; G411-L431 PolarHBondContact O-N 3.37Å; L413-L431 HydrophobicContact CB-CD1 4.24Å; L413-L431 HydrophobicContact CB-CD2 3.94Å; L413-L431 HydrophobicContact CB-CG 4.24Å; V429-L431 HydrophobicContact CG1-CD2 4.45Å; V429-L431 PolarHBondContact O-N 3.27Å; L431-G433 PolarHBondContact O-N 2.85Å; L431-C434 VanDerWaalsContact O-CB 3.25Å; L431-C434 WeakPolarHBondContact O-CB 3.43Å; L431-C434 PolarHBondContact O-N 3.04Å; L431-I450 HydrophobicContact CD2-CD1 4.12Å; L431-L475 HydrophobicContact CD1-CD2 3.77Å; L431-L475 HydrophobicContact CD2-CD2 3.72Å; L431-L475 HydrophobicContact CG-CD2 4.42Å; L431-Q478 HydrophobicContact CB-CB 4.04Å; L431-Q478 HydrophobicContact CD1-CB 3.74Å; L431-Q478 HydrophobicContact CD1-CG 4.22Å; L431-T479 WeakPolarHBondContact O-CA 3.25Å
432E91.3Very high89.7Confident152 Ų15258 Ų5871%0.7134%0.341SS*.THydrogen-bonded Turntrans-53.5125.6176.6-174.3172.6-163.800110.8T430 C434T430-E432 HydrophobicContact CG2-CB 4.25Å; E432-C434 VanDerWaalsContact C-N 3.28Å; E432-C434 PolarHBondContact O-N 3.37Å
433G87.1Confident90Very high50 Ų5061 Ų6152%0.51535%0.351SS..THydrogen-bonded Turntrans81.3-10-176.300000115.9L431 T479L431-G433 PolarHBondContact O-N 2.85Å; G433-T479 PolarHBondContact N-O 3.02Å
434C92.8Very high90.2Very high1 Ų156.6 Ų56.61%0.00733%0.333CS..  trans-72.1149175.9-66.40000112.3T430 L431 E432 I450 D451 T479T430-C434 PolarHBondContact O-SG 3.05Å; L431-C434 VanDerWaalsContact O-CB 3.25Å; L431-C434 WeakPolarHBondContact O-CB 3.43Å; L431-C434 PolarHBondContact O-N 3.04Å; E432-C434 VanDerWaalsContact C-N 3.28Å; E432-C434 PolarHBondContact O-N 3.37Å; C434-I450 HydrophobicContact CB-CG2 3.65Å; C434-D451 CarbonylContact C-O 3.51Å; C434-D451 VanDerWaalsContact CA-O 3.25Å; C434-D451 WeakPolarHBondContact CA-O 3.38Å; C434-D451 WeakPolarHBondContact CB-O 3.44Å; C434-T479 HydrophobicContact CB-CG2 4.31Å; C434-T479 VanDerWaalsContact O-CB 3.25Å; C434-T479 WeakPolarHBondContact O-CB 3.45Å; C434-T479 WeakPolarHBondContact O-CG2 3.48Å
435S92.2Very high90.4Very high46 Ų4656.4 Ų56.432%0.32233%0.329SS..EExtended strand (participates in β ladder)trans-96.6143.3159.557.50000110.1I450 D451S435-I450 WeakPolarHBondContact O-CA 3.48Å; S435-D451 PolarHBondContact N-O 3.39Å; S435-D451 PolarHBondContact O-N 3.06Å
436V94.6Very high90.9Very high3 Ų356.6 Ų56.62%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-122.2121.2179-176.70000107.8F448 R449 I450 L472 L475 L476 T479V436-F448 HydrophobicContact CG1-CD2 4.17Å; V436-R449 WeakPolarHBondContact CA-O 3.5Å; V436-I450 HydrophobicContact CG2-CG1 4.31Å; V436-I450 HydrophobicContact CG2-CG2 4.46Å; V436-L472 HydrophobicContact CG1-CD2 3.66Å; V436-L475 HydrophobicContact CG1-CB 4.44Å; V436-L475 HydrophobicContact CG1-CD1 4.27Å; V436-L475 HydrophobicContact CG2-CB 4.08Å; V436-L476 HydrophobicContact CB-CD2 4.36Å; V436-T479 HydrophobicContact CG2-CG2 3.8Å
437L93.1Very high91.3Very high58 Ų5855.1 Ų55.130%0.30432%0.317SS..EExtended strand (participates in β ladder)trans-135.3137.4-167.6-64.2172.9000110.7F448 R449 L488L437-F448 CarbonylContact O-C 3.59Å; L437-F448 VanDerWaalsContact O-CA 3.23Å; L437-F448 WeakPolarHBondContact O-CA 3.45Å; L437-F448 VanDerWaalsContact O-CB 3.31Å; L437-F448 WeakPolarHBondContact O-CB 3.47Å; L437-R449 HydrophobicContact CB-CG 4.44Å; L437-R449 PolarHBondContact N-O 2.84Å; L437-R449 PolarHBondContact O-N 3.4Å; L437-L488 HydrophobicContact CD2-CD2 4.05Å
438P94.2Very high91.6Very high19 Ų1949.8 Ų49.812%0.12328%0.283CS..EExtended strand (participates in β ladder)trans-56.3137.7165.3-22.634.4000110.8M468 L488 Y490 Y492P438-M468 HydrophobicContact CB-CE 4.15Å; P438-L488 HydrophobicContact CG-CB 4.01Å; P438-L488 HydrophobicContact CG-CD1 4.4Å; P438-Y490 HydrophobicContact CG-CD1 4.02Å; P438-Y490 HydrophobicContact CG-CE1 3.7Å; P438-Y492 HydrophobicContact CB-CE1 4.05Å
439D92.8Very high91.7Very high32 Ų3251.6 Ų51.617%0.17128%0.284CS..  trans-143.860.2-169.2-161.745.7000110.5I441 S447 R449 Q456D439-I441 PolarHBondContact O-N 2.7Å; D439-S447 PolarHBondContact N-O 3.42Å; D439-S447 PolarHBondContact O-OG 3.03Å; D439-R449 HydrophobicContact CB-CB 4.04Å; D439-R449 HydrophobicContact CB-CG 3.93Å; D439-R449 IonicContact OD1-CZ 3.76Å; D439-R449 IonicContact OD1-NH1 2.74Å; D439-R449 PolarHBondContact OD1-NH1 2.9Å; D439-R449 WeakPolarHBondContact OD2-CD 3.4Å; D439-Q456 PolarHBondContact OD2-NE2 3.28Å
440P91.5Very high91.8Very high61 Ų6151 Ų5140%0.39628%0.28SS..  trans-67.697-16530.4-39.7000113Y492P440-Y492 HydrophobicContact CB-CD1 4.04Å; P440-Y492 HydrophobicContact CB-CD2 3.71Å; P440-Y492 HydrophobicContact CB-CE1 4.18Å; P440-Y492 HydrophobicContact CB-CE2 3.89Å; P440-Y492 HydrophobicContact CB-CG 3.8Å; P440-Y492 HydrophobicContact CG-CD1 3.58Å; P440-Y492 HydrophobicContact CG-CD2 4.18Å; P440-Y492 HydrophobicContact CG-CE1 3.85Å; P440-Y492 HydrophobicContact CG-CE2 4.44Å; P440-Y492 HydrophobicContact CG-CG 3.75Å
441I87.3Confident91.8Very high61 Ų6148.4 Ų48.431%0.31326%0.264SS..BIsolated β-bridgetrans-77.2143170.6-64.1162.7000109.1L396 W401 D439 E443 H444 S447 T459L396-I441 HydrophobicContact CD2-CD1 4.39Å; W401-I441 HydrophobicContact CZ2-CD1 4.09Å; D439-I441 PolarHBondContact O-N 2.7Å; I441-E443 PolarHBondContact O-N 3.48Å; I441-H444 HydrophobicContact CB-CB 4.21Å; I441-H444 CarbonylContact O-C 3.58Å; I441-H444 WeakPolarHBondContact O-CA 3.45Å; I441-H444 PolarHBondContact O-N 2.62Å; I441-S447 PolarHBondContact N-OG 3.3Å; I441-T459 HydrophobicContact CD1-CG2 4.1Å
442P81.1Confident91.8Very high114 Ų11451.1 Ų51.174%0.7428%0.278SS*.THydrogen-bonded Turntrans-49.3141.4172-29.536.5000112.7H444P442-H444 PolarHBondContact O-CD2 2.69Å; P442-H444 PolarHBondContact O-N 2.97Å
443E83.4Confident91.7Very high194 Ų19451.2 Ų51.291%0.90728%0.283SS*.THydrogen-bonded Turntrans67.2-22-168.9-52.3-172.5-179.800115.7I441I441-E443 PolarHBondContact O-N 3.48Å
444H90.5Very high91.6Very high40 Ų4052.3 Ų52.319%0.18530%0.295CS..BIsolated β-bridgetrans-107.660.7-175.3-63.4-71.6000112.8W401 I441 P442 Y446 S447 E461W401-H444 AromaticContact CD1-CE1 3.27Å; W401-H444 AromaticContact CD1-ND1 3.93Å; W401-H444 AromaticContact CD1-NE2 3.27Å; W401-H444 VanDerWaalsContact CD1-NE2 3.27Å; W401-H444 AromaticContact CE2-CD2 3.99Å; W401-H444 AromaticContact CE2-CE1 3.92Å; W401-H444 AromaticContact CE2-CG 3.83Å; W401-H444 AromaticContact CE2-ND1 3.8Å; W401-H444 AromaticContact CG-CE1 3.98Å; W401-H444 HydrophobicContact CZ2-CB 4.17Å; W401-H444 AromaticContact CZ2-CG 3.94Å; W401-H444 AromaticContact NE1-CD2 3.24Å; W401-H444 PolarHBondContact NE1-CD2 2.94Å; W401-H444 AromaticContact NE1-CE1 3.21Å; W401-H444 PolarHBondContact NE1-CE1 2.93Å; W401-H444 AromaticContact NE1-CG 3.52Å; W401-H444 AromaticContact NE1-ND1 3.5Å; W401-H444 AromaticContact NE1-NE2 3Å; W401-H444 PolarHBondContact NE1-NE2 3.45Å; I441-H444 HydrophobicContact CB-CB 4.21Å; I441-H444 CarbonylContact O-C 3.58Å; I441-H444 WeakPolarHBondContact O-CA 3.45Å; I441-H444 PolarHBondContact O-N 2.62Å; P442-H444 PolarHBondContact O-CD2 2.69Å; P442-H444 PolarHBondContact O-N 2.97Å; H444-Y446 PolarHBondContact O-N 3.14Å; H444-S447 WeakPolarHBondContact O-CB 3.47Å; H444-S447 PolarHBondContact O-N 3.27Å; H444-S447 VanDerWaalsContact O-N 3.1Å; H444-S447 PolarHBondContact O-OG 2.95Å; H444-E461 WeakPolarHBondContact CA-OE1 3.45Å; H444-E461 IonicContact CE1-OE1 3.17Å; H444-E461 IonicContact CG-OE1 3.86Å; H444-E461 IonicContact ND1-OE1 2.75Å; H444-E461 PolarHBondContact ND1-OE1 2.97Å; H444-E461 IonicContact ND1-OE2 3.49Å
445L92Very high91.5Very high66 Ų6656.6 Ų56.635%0.34632%0.321SS..THydrogen-bonded Turntrans-55.8-28.4-170.3-168.268.2000115.1Y492 V493L445-Y492 HydrophobicContact CD1-CD2 3.8Å; L445-Y492 HydrophobicContact CD1-CE2 4.31Å; L445-Y492 VanDerWaalsContact O-CE2 3.24Å; L445-Y492 WeakPolarHBondContact O-CE2 3.39Å; L445-V493 HydrophobicContact CD1-CG1 3.96Å; L445-V493 HydrophobicContact CD2-CG1 3.89Å; L445-V493 HydrophobicContact CG-CG1 3.81Å
446Y95.2Very high91.5Very high40 Ų4059.2 Ų59.216%0.15733%0.328CS..THydrogen-bonded Turntrans-106.134.9-178.5-53.3-57.2000112.5H444 A462 M468 R497H444-Y446 PolarHBondContact O-N 3.14Å; Y446-A462 WeakPolarHBondContact CB-O 3.09Å; Y446-A462 PolarHBondContact O-N 3.01Å; Y446-A462 VanDerWaalsContact O-N 3.09Å; Y446-M468 HydrophobicContact CD1-SD 4.05Å; Y446-M468 HydrophobicContact CG-SD 4.49Å; Y446-R497 WeakPolarHBondContact OH-CD 3.49Å
447S95.7Very high91.4Very high0 Ų062.6 Ų62.60%035%0.345CS..EExtended strand (participates in β ladder)trans-88.2146.5175.2500000113.1D439 I441 H444 L460 M468D439-S447 PolarHBondContact N-O 3.42Å; D439-S447 PolarHBondContact O-OG 3.03Å; I441-S447 PolarHBondContact N-OG 3.3Å; H444-S447 WeakPolarHBondContact O-CB 3.47Å; H444-S447 PolarHBondContact O-N 3.27Å; H444-S447 VanDerWaalsContact O-N 3.1Å; H444-S447 PolarHBondContact O-OG 2.95Å; S447-L460 CarbonylContact C-O 3.54Å; S447-L460 WeakPolarHBondContact CA-O 3.2Å; S447-L460 WeakPolarHBondContact CB-O 3.26Å; S447-M468 WeakPolarHBondContact O-CE 3.42Å
448F96Very high91.5Very high0 Ų060.2 Ų60.20%033%0.334CS..EExtended strand (participates in β ladder)trans-150.6151.5-179.757.5-82.9000109.4L393 V436 L437 L460 A462 M468 W471 L472 L475L393-F448 HydrophobicContact CD1-CZ 4.16Å; L393-F448 HydrophobicContact CD2-CE1 4.27Å; L393-F448 HydrophobicContact CD2-CZ 4.06Å; V436-F448 HydrophobicContact CG1-CD2 4.17Å; L437-F448 CarbonylContact O-C 3.59Å; L437-F448 VanDerWaalsContact O-CA 3.23Å; L437-F448 WeakPolarHBondContact O-CA 3.45Å; L437-F448 VanDerWaalsContact O-CB 3.31Å; L437-F448 WeakPolarHBondContact O-CB 3.47Å; F448-L460 HydrophobicContact CD1-CB 4.5Å; F448-L460 HydrophobicContact CD2-CB 4.1Å; F448-L460 HydrophobicContact CD2-CD1 4.34Å; F448-L460 HydrophobicContact CE1-CB 4.11Å; F448-L460 HydrophobicContact CE2-CB 3.68Å; F448-L460 HydrophobicContact CE2-CD1 3.62Å; F448-L460 HydrophobicContact CE2-CG 4.25Å; F448-L460 HydrophobicContact CG-CB 4.49Å; F448-L460 HydrophobicContact CZ-CB 3.68Å; F448-L460 HydrophobicContact CZ-CD1 4.17Å; F448-L460 PolarHBondContact N-O 3.03Å; F448-L460 PolarHBondContact O-N 3.23Å; F448-L460 VanDerWaalsContact O-O 3.1Å; F448-A462 HydrophobicContact CE1-CB 4.27Å; F448-M468 HydrophobicContact CB-CE 4.14Å; F448-M468 HydrophobicContact CD1-CE 4.26Å; F448-M468 HydrophobicContact CD1-CG 4.19Å; F448-W471 HydrophobicContact CZ-CB 3.94Å; F448-L472 HydrophobicContact CB-CD2 4.26Å; F448-L472 HydrophobicContact CD2-CD2 4.15Å; F448-L472 HydrophobicContact CG-CD2 4.19Å; F448-L475 HydrophobicContact CD2-CD1 4.4Å; F448-L475 HydrophobicContact CE2-CD1 3.61Å; F448-L475 HydrophobicContact CZ-CD1 4.43Å
449R95.1Very high91.6Very high67 Ų6759.7 Ų59.725%0.25333%0.33SS..EExtended strand (participates in β ladder)trans-116.5157.1179.870.2-179.1-165.8-97.9-7.8112.3V436 L437 D439 D451 Q456 A458 T459V436-R449 WeakPolarHBondContact CA-O 3.5Å; L437-R449 HydrophobicContact CB-CG 4.44Å; L437-R449 PolarHBondContact N-O 2.84Å; L437-R449 PolarHBondContact O-N 3.4Å; D439-R449 HydrophobicContact CB-CB 4.04Å; D439-R449 HydrophobicContact CB-CG 3.93Å; D439-R449 IonicContact OD1-CZ 3.76Å; D439-R449 IonicContact OD1-NH1 2.74Å; D439-R449 PolarHBondContact OD1-NH1 2.9Å; D439-R449 WeakPolarHBondContact OD2-CD 3.4Å; R449-D451 WeakPolarHBondContact CD-OD1 3.2Å; R449-D451 WeakPolarHBondContact CG-OD1 3.28Å; R449-D451 IonicContact CZ-OD2 3.42Å; R449-D451 VanDerWaalsContact NE-CG 3.35Å; R449-D451 IonicContact NE-OD1 2.75Å; R449-D451 PolarHBondContact NE-OD1 3.4Å; R449-D451 IonicContact NE-OD2 3.78Å; R449-D451 PolarHBondContact NE-OD2 2.79Å; R449-D451 IonicContact NH2-OD2 3.14Å; R449-D451 PolarHBondContact NH2-OD2 3.16Å; R449-D451 VanDerWaalsContact NH2-OD2 3.14Å; R449-Q456 HydrophobicContact CB-CG 4.37Å; R449-A458 CarbonylContact C-O 3.54Å; R449-A458 VanDerWaalsContact CA-O 3.29Å; R449-A458 WeakPolarHBondContact CA-O 3.29Å; R449-T459 HydrophobicContact CB-CG2 4.4Å
450I95.4Very high91.7Very high0 Ų058.2 Ų58.20%032%0.322CS..EExtended strand (participates in β ladder)trans-115.1114.5171.6-52.5-176.6000106.6L413 V429 L431 C434 S435 V436 I457 A458 L460 L475L413-I450 HydrophobicContact CD2-CD1 3.67Å; V429-I450 HydrophobicContact CG1-CG2 4.32Å; L431-I450 HydrophobicContact CD2-CD1 4.12Å; C434-I450 HydrophobicContact CB-CG2 3.65Å; S435-I450 WeakPolarHBondContact O-CA 3.48Å; V436-I450 HydrophobicContact CG2-CG1 4.31Å; V436-I450 HydrophobicContact CG2-CG2 4.46Å; I450-I457 PolarHBondContact O-N 3.4Å; I450-A458 PolarHBondContact N-O 2.93Å; I450-A458 PolarHBondContact O-N 3.08Å; I450-L460 HydrophobicContact CD1-CD1 3.66Å; I450-L460 HydrophobicContact CG1-CD1 4.08Å; I450-L475 HydrophobicContact CD1-CD1 4.19Å; I450-L475 HydrophobicContact CD1-CD2 4.25Å
451D93.9Very high92Very high13 Ų1356.5 Ų56.57%0.0731%0.309CS..EExtended strand (participates in β ladder)trans-108.8140.6177.6-54.5-25.7000109.3C434 S435 R449 T455 Q456C434-D451 CarbonylContact C-O 3.51Å; C434-D451 VanDerWaalsContact CA-O 3.25Å; C434-D451 WeakPolarHBondContact CA-O 3.38Å; C434-D451 WeakPolarHBondContact CB-O 3.44Å; S435-D451 PolarHBondContact N-O 3.39Å; S435-D451 PolarHBondContact O-N 3.06Å; R449-D451 WeakPolarHBondContact CD-OD1 3.2Å; R449-D451 WeakPolarHBondContact CG-OD1 3.28Å; R449-D451 IonicContact CZ-OD2 3.42Å; R449-D451 VanDerWaalsContact NE-CG 3.35Å; R449-D451 IonicContact NE-OD1 2.75Å; R449-D451 PolarHBondContact NE-OD1 3.4Å; R449-D451 IonicContact NE-OD2 3.78Å; R449-D451 PolarHBondContact NE-OD2 2.79Å; R449-D451 IonicContact NH2-OD2 3.14Å; R449-D451 PolarHBondContact NH2-OD2 3.16Å; R449-D451 VanDerWaalsContact NH2-OD2 3.14Å; D451-T455 CarbonylContact C-O 3.59Å; D451-T455 VanDerWaalsContact CA-O 3.29Å; D451-T455 WeakPolarHBondContact CA-O 3.44Å; D451-Q456 WeakPolarHBondContact OD1-CA 3.41Å
452L93.1Very high92.4Very high56 Ų5653.6 Ų53.629%0.29329%0.294SS..EExtended strand (participates in β ladder)trans-124.2126.1172.3-179.964.2000108.3G454 T455 I457L452-G454 PolarHBondContact O-N 2.91Å; L452-G454 VanDerWaalsContact O-N 3.09Å; L452-T455 PolarHBondContact N-O 3.31Å; L452-T455 WeakPolarHBondContact O-CA 3.43Å; L452-T455 WeakPolarHBondContact O-CB 3.43Å; L452-T455 PolarHBondContact O-N 2.98Å; L452-I457 HydrophobicContact CB-CD1 4.02Å; L452-I457 HydrophobicContact CB-CG1 3.62Å
453D87.8Confident93Very high155 Ų15554 Ų5483%0.82928%0.284SS*.THydrogen-bonded Turntrans4934.5-174.3-59.7-42.8000113.8T455D453-T455 VanDerWaalsContact C-N 3.27Å; D453-T455 PolarHBondContact O-N 2.83Å
454G85.4Confident93.6Very high73 Ų7347.5 Ų47.575%0.75326%0.258SS*.THydrogen-bonded Turntrans781.7-176.700000115.4L452L452-G454 PolarHBondContact O-N 2.91Å; L452-G454 VanDerWaalsContact O-N 3.09Å
455T91.2Very high93.8Very high90 Ų9046.5 Ų46.555%0.55226%0.255SS*.EExtended strand (participates in β ladder)trans-94.1123.5174-56.30000110.1D451 L452 D453 I457D451-T455 CarbonylContact C-O 3.59Å; D451-T455 VanDerWaalsContact CA-O 3.29Å; D451-T455 WeakPolarHBondContact CA-O 3.44Å; L452-T455 PolarHBondContact N-O 3.31Å; L452-T455 WeakPolarHBondContact O-CA 3.43Å; L452-T455 WeakPolarHBondContact O-CB 3.43Å; L452-T455 PolarHBondContact O-N 2.98Å; D453-T455 VanDerWaalsContact C-N 3.27Å; D453-T455 PolarHBondContact O-N 2.83Å; T455-I457 HydrophobicContact CG2-CD1 4.11Å; T455-I457 WeakPolarHBondContact O-CD1 3.47Å; T455-I457 WeakPolarHBondContact O-CG1 3.03Å; T455-I457 PolarHBondContact O-N 2.7Å
456Q93Very high94Very high102 Ų10245.3 Ų45.348%0.47726%0.255SS..EExtended strand (participates in β ladder)trans-65.5118.7174.8-175.1-179.36200110.4D439 R449 D451 T459D439-Q456 PolarHBondContact OD2-NE2 3.28Å; R449-Q456 HydrophobicContact CB-CG 4.37Å; D451-Q456 WeakPolarHBondContact OD1-CA 3.41Å; Q456-T459 PolarHBondContact NE2-OG1 2.93Å; Q456-T459 VanDerWaalsContact NE2-OG1 3.12Å
457I92.7Very high94Very high74 Ų7446.5 Ų46.538%0.37926%0.264SS..EExtended strand (participates in β ladder)trans-98.8-35.3-178.6-50.8-55.7000111.4V429 I450 L452 T455V429-I457 HydrophobicContact CB-CG2 4.4Å; V429-I457 HydrophobicContact CG1-CG2 3.9Å; V429-I457 HydrophobicContact CG2-CG2 3.61Å; I450-I457 PolarHBondContact O-N 3.4Å; L452-I457 HydrophobicContact CB-CD1 4.02Å; L452-I457 HydrophobicContact CB-CG1 3.62Å; T455-I457 HydrophobicContact CG2-CD1 4.11Å; T455-I457 WeakPolarHBondContact O-CD1 3.47Å; T455-I457 WeakPolarHBondContact O-CG1 3.03Å; T455-I457 PolarHBondContact O-N 2.7Å
458A94.4Very high94Very high8 Ų846.5 Ų46.57%0.06626%0.264CS..EExtended strand (participates in β ladder)trans-153.3143.9175.300000112.1R449 I450 L460R449-A458 CarbonylContact C-O 3.54Å; R449-A458 VanDerWaalsContact CA-O 3.29Å; R449-A458 WeakPolarHBondContact CA-O 3.29Å; I450-A458 PolarHBondContact N-O 2.93Å; I450-A458 PolarHBondContact O-N 3.08Å; A458-L460 HydrophobicContact CB-CD2 4.4Å; A458-L460 HydrophobicContact CB-CG 4.42Å
459T95.4Very high94Very high8 Ų846.5 Ų46.55%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-111.6131164.5-330000109L396 W401 I441 R449 Q456L396-T459 PolarHBondContact N-O 3.35Å; W401-T459 HydrophobicContact CH2-CG2 4.11Å; I441-T459 HydrophobicContact CD1-CG2 4.1Å; R449-T459 HydrophobicContact CB-CG2 4.4Å; Q456-T459 PolarHBondContact NE2-OG1 2.93Å; Q456-T459 VanDerWaalsContact NE2-OG1 3.12Å
460L96.3Very high94Very high0 Ų045.5 Ų45.50%026%0.262CS..EExtended strand (participates in β ladder)trans-129.4151.1-168.5-58.2174.7000109.6L393 N394 V395 L413 F415 S447 F448 I450 A458L393-L460 HydrophobicContact CD1-CB 4.42Å; L393-L460 HydrophobicContact CD1-CD1 4.18Å; L393-L460 HydrophobicContact CD1-CD2 4.5Å; N394-L460 CarbonylContact O-C 3.4Å; N394-L460 WeakPolarHBondContact O-CA 3.21Å; V395-L460 HydrophobicContact CB-CD2 4.26Å; V395-L460 HydrophobicContact CG1-CD2 3.96Å; V395-L460 HydrophobicContact CG2-CD2 3.81Å; L413-L460 HydrophobicContact CD2-CD1 3.93Å; F415-L460 HydrophobicContact CE1-CD2 3.7Å; F415-L460 HydrophobicContact CZ-CD2 4.13Å; S447-L460 CarbonylContact C-O 3.54Å; S447-L460 WeakPolarHBondContact CA-O 3.2Å; S447-L460 WeakPolarHBondContact CB-O 3.26Å; F448-L460 HydrophobicContact CD1-CB 4.5Å; F448-L460 HydrophobicContact CD2-CB 4.1Å; F448-L460 HydrophobicContact CD2-CD1 4.34Å; F448-L460 HydrophobicContact CE1-CB 4.11Å; F448-L460 HydrophobicContact CE2-CB 3.68Å; F448-L460 HydrophobicContact CE2-CD1 3.62Å; F448-L460 HydrophobicContact CE2-CG 4.25Å; F448-L460 HydrophobicContact CG-CB 4.49Å; F448-L460 HydrophobicContact CZ-CB 3.68Å; F448-L460 HydrophobicContact CZ-CD1 4.17Å; F448-L460 PolarHBondContact N-O 3.03Å; F448-L460 PolarHBondContact O-N 3.23Å; F448-L460 VanDerWaalsContact O-O 3.1Å; I450-L460 HydrophobicContact CD1-CD1 3.66Å; I450-L460 HydrophobicContact CG1-CD1 4.08Å; A458-L460 HydrophobicContact CB-CD2 4.4Å; A458-L460 HydrophobicContact CB-CG 4.42Å
461E96.4Very high94.1Very high25 Ų2545.9 Ų45.912%0.11726%0.264CS..EExtended strand (participates in β ladder)trans-135.7133.4174.9167.2-166.6-122.400110.2L393 N394 W401 H444L393-E461 WeakPolarHBondContact CD2-O 3.38Å; N394-E461 HydrophobicContact CB-CB 4.02Å; N394-E461 HydrophobicContact CB-CG 4.44Å; N394-E461 WeakPolarHBondContact CB-OE2 3.49Å; N394-E461 PolarHBondContact N-O 2.91Å; N394-E461 PolarHBondContact ND2-OE2 2.68Å; N394-E461 PolarHBondContact O-N 3.46Å; W401-E461 HydrophobicContact CE3-CB 4.18Å; W401-E461 HydrophobicContact CH2-CB 3.73Å; W401-E461 HydrophobicContact CZ2-CB 4.42Å; W401-E461 HydrophobicContact CZ3-CB 3.6Å; H444-E461 WeakPolarHBondContact CA-OE1 3.45Å; H444-E461 IonicContact CE1-OE1 3.17Å; H444-E461 IonicContact CG-OE1 3.86Å; H444-E461 IonicContact ND1-OE1 2.75Å; H444-E461 PolarHBondContact ND1-OE1 2.97Å; H444-E461 IonicContact ND1-OE2 3.49Å
462A96.9Very high94.2Very high1 Ų145.2 Ų45.21%0.00826%0.26CS..  trans-97.1158.6171.200000111.7L393 Y446 F448 D467 M468L393-A462 HydrophobicContact CD2-CB 4Å; Y446-A462 WeakPolarHBondContact CB-O 3.09Å; Y446-A462 PolarHBondContact O-N 3.01Å; Y446-A462 VanDerWaalsContact O-N 3.09Å; F448-A462 HydrophobicContact CE1-CB 4.27Å; A462-D467 HydrophobicContact CB-CB 3.84Å; A462-M468 HydrophobicContact CB-CB 3.87Å
463K93.9Very high94.2Very high122 Ų12242.6 Ų42.653%0.5325%0.246SC..SBendtrans-83.6-19.5-174.7-64.9-173.9179.6-175.80114.1
464T94.8Very high94.5Very high58 Ų5835.2 Ų35.236%0.35621%0.207SC..SBendtrans-145.2164.6179.968.50000110.7A466 D467 M468T464-A466 VanDerWaalsContact C-N 3.26Å; T464-A466 PolarHBondContact O-N 3.46Å; T464-A466 PolarHBondContact OG1-N 3.3Å; T464-D467 WeakPolarHBondContact CB-OD2 3.36Å; T464-D467 WeakPolarHBondContact CG2-OD2 3.46Å; T464-D467 PolarHBondContact N-OD2 3.27Å; T464-D467 PolarHBondContact O-N 3.14Å; T464-D467 PolarHBondContact OG1-N 3.18Å; T464-D467 PolarHBondContact OG1-OD2 3.43Å; T464-M468 WeakPolarHBondContact O-CB 3.37Å; T464-M468 PolarHBondContact O-N 3.23Å
465S95.5Very high94.9Very high18 Ų1831.7 Ų31.713%0.12617%0.171CC..Hα-helixtrans-56.5-3817044.80000112.8M468 G469 I501S465-M468 PolarHBondContact O-N 3.46Å; S465-G469 PolarHBondContact O-N 3.49Å; S465-I501 VanDerWaalsContact O-CG1 3.28Å; S465-I501 WeakPolarHBondContact O-CG1 3.49Å
466A95.7Very high95Very high42 Ų4227.6 Ų27.635%0.34715%0.146SC..Hα-helixtrans-69.4-42.3177.100000112.1T464 H470 T500 A504T464-A466 VanDerWaalsContact C-N 3.26Å; T464-A466 PolarHBondContact O-N 3.46Å; T464-A466 PolarHBondContact OG1-N 3.3Å; A466-H470 WeakPolarHBondContact O-CB 3.5Å; A466-H470 PolarHBondContact O-N 3.17Å; A466-T500 HydrophobicContact CB-CG2 3.97Å; A466-A504 WeakPolarHBondContact O-CB 3.46Å
467D95.7Very high95Very high64 Ų6423.6 Ų23.634%0.34213%0.129SC..Hα-helixtrans-63.2-42.6174.1-61.9-51000110.9A462 T464 H470 W471A462-D467 HydrophobicContact CB-CB 3.84Å; T464-D467 WeakPolarHBondContact CB-OD2 3.36Å; T464-D467 WeakPolarHBondContact CG2-OD2 3.46Å; T464-D467 PolarHBondContact N-OD2 3.27Å; T464-D467 PolarHBondContact O-N 3.14Å; T464-D467 PolarHBondContact OG1-N 3.18Å; T464-D467 PolarHBondContact OG1-OD2 3.43Å; D467-H470 PolarHBondContact O-N 3.1Å; D467-W471 VanDerWaalsContact O-CD1 3.24Å; D467-W471 PolarHBondContact O-N 3.45Å
468M95.9Very high94.9Very high0 Ų021.2 Ų21.20%012%0.116CC..Hα-helixtrans-59.8-51.4177.6-173.2-179.9-174.500110.9P438 Y446 S447 F448 A462 T464 S465 H470 W471 L472 Y492 I501P438-M468 HydrophobicContact CB-CE 4.15Å; Y446-M468 HydrophobicContact CD1-SD 4.05Å; Y446-M468 HydrophobicContact CG-SD 4.49Å; S447-M468 WeakPolarHBondContact O-CE 3.42Å; F448-M468 HydrophobicContact CB-CE 4.14Å; F448-M468 HydrophobicContact CD1-CE 4.26Å; F448-M468 HydrophobicContact CD1-CG 4.19Å; A462-M468 HydrophobicContact CB-CB 3.87Å; T464-M468 WeakPolarHBondContact O-CB 3.37Å; T464-M468 PolarHBondContact O-N 3.23Å; S465-M468 PolarHBondContact O-N 3.46Å; M468-H470 PolarHBondContact O-N 2.98Å; M468-W471 PolarHBondContact O-N 3.15Å; M468-L472 HydrophobicContact CE-CD1 4.23Å; M468-L472 HydrophobicContact CG-CD1 4.07Å; M468-L472 HydrophobicContact CG-CG 4.45Å; M468-L472 VanDerWaalsContact O-CG 3.32Å; M468-L472 WeakPolarHBondContact O-CG 3.37Å; M468-L472 PolarHBondContact O-N 2.72Å; M468-Y492 WeakPolarHBondContact CE-OH 3.39Å; M468-I501 HydrophobicContact SD-CD1 4.07Å; M468-I501 HydrophobicContact SD-CG1 4.49Å
469G95.8Very high94.5Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-57.4-48.217600000112.1S465 W471 L472 G473 I501 A505S465-G469 PolarHBondContact O-N 3.49Å; G469-W471 PolarHBondContact O-N 3.18Å; G469-L472 PolarHBondContact O-N 3.34Å; G469-G473 PolarHBondContact O-N 2.7Å; G469-I501 WeakPolarHBondContact CA-O 3.26Å; G469-A505 WeakPolarHBondContact O-CA 3.35Å; G469-A505 WeakPolarHBondContact O-CB 3.39Å; G469-A505 PolarHBondContact O-N 3.32Å
470H95.7Very high93.7Very high47 Ų4724.1 Ų24.122%0.21815%0.148CC..Hα-helixtrans-53.2-51.9176.9177.350.5000112D388 A466 D467 M468 G473 L474 S508D388-H470 PolarHBondContact O-NE2 2.78Å; A466-H470 WeakPolarHBondContact O-CB 3.5Å; A466-H470 PolarHBondContact O-N 3.17Å; D467-H470 PolarHBondContact O-N 3.1Å; M468-H470 PolarHBondContact O-N 2.98Å; H470-G473 PolarHBondContact O-N 2.77Å; H470-L474 WeakPolarHBondContact O-CG 3.44Å; H470-L474 PolarHBondContact O-N 3.05Å; H470-S508 PolarHBondContact ND1-OG 3.46Å
471W96.2Very high92.8Very high7 Ų726.3 Ų26.33%0.02716%0.162CC..Hα-helixtrans-65-41.5178.6-81.3105.5000113.7L393 C406 I408 L413 F448 D467 M468 G469 G473 L474 L475L393-W471 HydrophobicContact CD1-CD2 3.72Å; L393-W471 HydrophobicContact CD1-CE3 4.01Å; L393-W471 HydrophobicContact CD1-CG 4.1Å; L393-W471 HydrophobicContact CD1-CH2 4.43Å; L393-W471 HydrophobicContact CD1-CZ2 4.15Å; L393-W471 HydrophobicContact CD1-CZ3 4.36Å; L393-W471 HydrophobicContact CD2-CD2 4.26Å; L393-W471 HydrophobicContact CD2-CG 3.91Å; L393-W471 HydrophobicContact CG-CD2 4.08Å; L393-W471 HydrophobicContact CG-CG 4.27Å; L393-W471 HydrophobicContact CG-CZ2 4.1Å; C406-W471 HydrophobicContact CB-CH2 3.54Å; C406-W471 HydrophobicContact CB-CZ2 3.98Å; C406-W471 HydrophobicContact CB-CZ3 4.25Å; I408-W471 HydrophobicContact CD1-CE3 4.15Å; I408-W471 HydrophobicContact CD1-CZ3 3.8Å; I408-W471 HydrophobicContact CG1-CZ3 4.11Å; L413-W471 HydrophobicContact CD1-CZ3 4.04Å; F448-W471 HydrophobicContact CZ-CB 3.94Å; D467-W471 VanDerWaalsContact O-CD1 3.24Å; D467-W471 PolarHBondContact O-N 3.45Å; M468-W471 PolarHBondContact O-N 3.15Å; G469-W471 PolarHBondContact O-N 3.18Å; W471-G473 VanDerWaalsContact C-N 3.33Å; W471-G473 PolarHBondContact O-N 2.88Å; W471-L474 HydrophobicContact CD2-CD1 4.44Å; W471-L474 HydrophobicContact CE3-CD1 4.06Å; W471-L474 HydrophobicContact CZ3-CD1 4.27Å; W471-L474 PolarHBondContact O-N 3.09Å; W471-L475 WeakPolarHBondContact O-CB 3.25Å; W471-L475 WeakPolarHBondContact O-CG 3.48Å; W471-L475 PolarHBondContact O-N 3.15Å
472L95.4Very high91.8Very high0 Ų035.1 Ų35.10%020%0.2CC..Hα-helixtrans-57.9-46.6173.8-71.5173.5000110.9V436 F448 M468 G469 L474 L475 L476 L488 Y490 I501 A505V436-L472 HydrophobicContact CG1-CD2 3.66Å; F448-L472 HydrophobicContact CB-CD2 4.26Å; F448-L472 HydrophobicContact CD2-CD2 4.15Å; F448-L472 HydrophobicContact CG-CD2 4.19Å; M468-L472 HydrophobicContact CE-CD1 4.23Å; M468-L472 HydrophobicContact CG-CD1 4.07Å; M468-L472 HydrophobicContact CG-CG 4.45Å; M468-L472 VanDerWaalsContact O-CG 3.32Å; M468-L472 WeakPolarHBondContact O-CG 3.37Å; M468-L472 PolarHBondContact O-N 2.72Å; G469-L472 PolarHBondContact O-N 3.34Å; L472-L474 PolarHBondContact O-N 2.92Å; L472-L475 PolarHBondContact O-N 3.23Å; L472-L476 VanDerWaalsContact O-CB 3.32Å; L472-L476 WeakPolarHBondContact O-CB 3.49Å; L472-L476 VanDerWaalsContact O-CG 3.24Å; L472-L476 WeakPolarHBondContact O-CG 3.44Å; L472-L476 PolarHBondContact O-N 2.89Å; L472-L488 HydrophobicContact CD1-CD1 4.27Å; L472-L488 HydrophobicContact CD2-CD1 4.39Å; L472-Y490 HydrophobicContact CD1-CE1 4.21Å; L472-I501 HydrophobicContact CD1-CG2 3.95Å; L472-A505 HydrophobicContact CB-CB 4.47Å
473G94.1Very high91.2Very high0 Ų037.3 Ų37.30%021%0.213CC..Hα-helixtrans-63.6-38.7177.600000113.8G469 H470 W471 S477 A505 F509G469-G473 PolarHBondContact O-N 2.7Å; H470-G473 PolarHBondContact O-N 2.77Å; W471-G473 VanDerWaalsContact C-N 3.33Å; W471-G473 PolarHBondContact O-N 2.88Å; G473-S477 WeakPolarHBondContact O-CB 3.5Å; G473-S477 PolarHBondContact O-N 3.44Å; G473-A505 WeakPolarHBondContact CA-O 3.35Å; G473-F509 WeakPolarHBondContact O-CA 3.3Å
474L94.1Very high90.8Very high0 Ų033.9 Ų33.90%020%0.2CC..Hα-helixtrans-63.5-49172.7-68.4-179.7000111.6V387 I408 H470 W471 L472 S477 M512V387-L474 HydrophobicContact CG1-CD2 3.62Å; I408-L474 HydrophobicContact CD1-CB 3.65Å; I408-L474 HydrophobicContact CD1-CD1 4.25Å; H470-L474 WeakPolarHBondContact O-CG 3.44Å; H470-L474 PolarHBondContact O-N 3.05Å; W471-L474 HydrophobicContact CD2-CD1 4.44Å; W471-L474 HydrophobicContact CE3-CD1 4.06Å; W471-L474 HydrophobicContact CZ3-CD1 4.27Å; W471-L474 PolarHBondContact O-N 3.09Å; L472-L474 PolarHBondContact O-N 2.92Å; L474-S477 PolarHBondContact O-N 3.3Å; L474-S477 PolarHBondContact O-OG 3.28Å; L474-M512 HydrophobicContact CD2-CE 4.5Å; L474-M512 HydrophobicContact CD2-CG 3.52Å; L474-M512 HydrophobicContact CD2-SD 3.9Å
475L94.6Very high90.3Very high0 Ų031.1 Ų31.10%018%0.183CC..Hα-helixtrans-69.1-47.4-174-66.8166.2000111.7I408 L413 L431 V436 F448 I450 W471 L472 S477 Q478 T479I408-L475 HydrophobicContact CD1-CD2 3.69Å; I408-L475 HydrophobicContact CD1-CG 4.17Å; I408-L475 HydrophobicContact CG1-CD2 4.24Å; L413-L475 HydrophobicContact CD1-CD2 4.41Å; L413-L475 HydrophobicContact CD2-CD2 4.03Å; L431-L475 HydrophobicContact CD1-CD2 3.77Å; L431-L475 HydrophobicContact CD2-CD2 3.72Å; L431-L475 HydrophobicContact CG-CD2 4.42Å; V436-L475 HydrophobicContact CG1-CB 4.44Å; V436-L475 HydrophobicContact CG1-CD1 4.27Å; V436-L475 HydrophobicContact CG2-CB 4.08Å; F448-L475 HydrophobicContact CD2-CD1 4.4Å; F448-L475 HydrophobicContact CE2-CD1 3.61Å; F448-L475 HydrophobicContact CZ-CD1 4.43Å; I450-L475 HydrophobicContact CD1-CD1 4.19Å; I450-L475 HydrophobicContact CD1-CD2 4.25Å; W471-L475 WeakPolarHBondContact O-CB 3.25Å; W471-L475 WeakPolarHBondContact O-CG 3.48Å; W471-L475 PolarHBondContact O-N 3.15Å; L472-L475 PolarHBondContact O-N 3.23Å; L475-S477 PolarHBondContact O-N 2.89Å; L475-Q478 WeakPolarHBondContact O-CA 3.19Å; L475-Q478 PolarHBondContact O-N 3.31Å; L475-T479 PolarHBondContact O-N 2.87Å
476L93.2Very high89.9Confident3 Ų335.8 Ų35.82%0.01620%0.203CC..Hα-helixtrans-57.6-30175.3-70.1170.4000112.4V436 L472 Q478 T479 P485 L488 F509V436-L476 HydrophobicContact CB-CD2 4.36Å; L472-L476 VanDerWaalsContact O-CB 3.32Å; L472-L476 WeakPolarHBondContact O-CB 3.49Å; L472-L476 VanDerWaalsContact O-CG 3.24Å; L472-L476 WeakPolarHBondContact O-CG 3.44Å; L472-L476 PolarHBondContact O-N 2.89Å; L476-Q478 PolarHBondContact O-N 3.14Å; L476-T479 PolarHBondContact O-OG1 2.76Å; L476-T479 VanDerWaalsContact O-OG1 3.09Å; L476-P485 HydrophobicContact CD1-CG 3.98Å; L476-L488 HydrophobicContact CD1-CD1 4.25Å; L476-F509 HydrophobicContact CB-CD2 3.9Å; L476-F509 HydrophobicContact CB-CE2 3.89Å
477S92Very high89.5Confident19 Ų1939.2 Ų39.213%0.13322%0.216CC..Hα-helixtrans-69.9-9175.480.40000114G473 L474 L475 M512G473-S477 WeakPolarHBondContact O-CB 3.5Å; G473-S477 PolarHBondContact O-N 3.44Å; L474-S477 PolarHBondContact O-N 3.3Å; L474-S477 PolarHBondContact O-OG 3.28Å; L475-S477 PolarHBondContact O-N 2.89Å; S477-M512 WeakPolarHBondContact OG-CB 3.42Å
478Q90.3Very high89.2Confident23 Ų2336.8 Ų36.811%0.10720%0.203CC..Hα-helixtrans-120.2-8.7-177.1-54.8-68-108.200113.6I408 L431 L475 L476 M512 Y516I408-Q478 HydrophobicContact CG2-CG 3.9Å; L431-Q478 HydrophobicContact CB-CB 4.04Å; L431-Q478 HydrophobicContact CD1-CB 3.74Å; L431-Q478 HydrophobicContact CD1-CG 4.22Å; L475-Q478 WeakPolarHBondContact O-CA 3.19Å; L475-Q478 PolarHBondContact O-N 3.31Å; L476-Q478 PolarHBondContact O-N 3.14Å; Q478-M512 HydrophobicContact CG-CE 4.28Å; Q478-Y516 PolarHBondContact OE1-OH 2.98Å
479T87.1Confident88.9Confident3 Ų341.3 Ų41.32%0.01823%0.231CC..Hα-helixtrans-75.9-25.9178.651.60000113.9L431 G433 C434 V436 L475 L476 T481L431-T479 WeakPolarHBondContact O-CA 3.25Å; G433-T479 PolarHBondContact N-O 3.02Å; C434-T479 HydrophobicContact CB-CG2 4.31Å; C434-T479 VanDerWaalsContact O-CB 3.25Å; C434-T479 WeakPolarHBondContact O-CB 3.45Å; C434-T479 WeakPolarHBondContact O-CG2 3.48Å; V436-T479 HydrophobicContact CG2-CG2 3.8Å; L475-T479 PolarHBondContact O-N 2.87Å; L476-T479 PolarHBondContact O-OG1 2.76Å; L476-T479 VanDerWaalsContact O-OG1 3.09Å; T479-T481 PolarHBondContact O-N 2.89Å; T479-T481 PolarHBondContact OG1-N 2.84Å; T479-T481 PolarHBondContact OG1-OG1 2.71Å
480G78.4Confident88.7Confident75 Ų7542.1 Ų42.177%0.77323%0.234SC*.  trans74.60.7-168.700000113.9
481T77.4Confident88.3Confident45 Ų4546.5 Ų46.528%0.27626%0.259SS..  trans-75151.8175.459.80000111.1T479 T483T479-T481 PolarHBondContact O-N 2.89Å; T479-T481 PolarHBondContact OG1-N 2.84Å; T479-T481 PolarHBondContact OG1-OG1 2.71Å; T481-T483 VanDerWaalsContact C-N 3.28Å; T481-T483 PolarHBondContact O-N 2.65Å
482K75.4Confident88Confident211 Ų21148.8 Ų48.892%0.91727%0.268SS*.  trans-90.618.9179.5-65.5-173.6177.7-179.80113.8D484K482-D484 PolarHBondContact O-N 3.21Å
483T84.4Confident87.7Confident46 Ų4649.6 Ų49.628%0.28227%0.273SS..  trans-74.6120.4-176.8-47.60000110.2T481 D487 L488T481-T483 VanDerWaalsContact C-N 3.28Å; T481-T483 PolarHBondContact O-N 2.65Å; T483-D487 HydrophobicContact CG2-CB 4.14Å; T483-L488 HydrophobicContact CG2-CD2 3.9Å; T483-L488 HydrophobicContact CG2-CG 4.38Å
484D84.2Confident87.5Confident50 Ų5052.6 Ų52.627%0.26729%0.289SS..  trans-75.7143.7169.5-170.9-65.2000109.3K482 E486 D487 K506K482-D484 PolarHBondContact O-N 3.21Å; D484-E486 PolarHBondContact O-N 2.95Å; D484-E486 WeakPolarHBondContact OD1-CB 3.44Å; D484-E486 PolarHBondContact OD1-N 2.79Å; D484-D487 WeakPolarHBondContact CB-OD2 3.37Å; D484-D487 PolarHBondContact N-OD2 3.45Å; D484-D487 WeakPolarHBondContact O-CB 3.49Å; D484-D487 PolarHBondContact O-N 3.11Å; D484-K506 VanDerWaalsContact CG-CE 3.47Å; D484-K506 WeakPolarHBondContact OD1-CE 3.46Å; D484-K506 IonicContact OD1-NZ 2.68Å; D484-K506 PolarHBondContact OD1-NZ 2.77Å; D484-K506 WeakPolarHBondContact OD2-CE 2.79Å; D484-K506 IonicContact OD2-NZ 3.44Å; D484-K506 PolarHBondContact OD2-NZ 2.85Å; D484-K506 VanDerWaalsContact OD2-NZ 3.08Å
485P85.9Confident87.3Confident0 Ų057.5 Ų57.50%032%0.323CS..THydrogen-bonded Turntrans-52-19.4170.2-29.235.5000116.5L476 Y490 A505 K506L476-P485 HydrophobicContact CD1-CG 3.98Å; P485-Y490 VanDerWaalsContact O-CE2 3.31Å; P485-Y490 WeakPolarHBondContact O-CE2 3.4Å; P485-Y490 PolarHBondContact O-OH 3.08Å; P485-A505 HydrophobicContact CB-CB 3.51Å; P485-A505 HydrophobicContact CG-CB 3.73Å; P485-K506 HydrophobicContact CB-CG 4.35Å; P485-K506 HydrophobicContact CG-CG 4.16Å
486E86.7Confident87.2Confident117 Ų11764.5 Ų64.555%0.54736%0.356SS..THydrogen-bonded Turntrans-82.7-19.3172.2-77166.3-163.400114.3D484 L488 V502 K506D484-E486 PolarHBondContact O-N 2.95Å; D484-E486 WeakPolarHBondContact OD1-CB 3.44Å; D484-E486 PolarHBondContact OD1-N 2.79Å; E486-L488 PolarHBondContact O-N 2.91Å; E486-V502 HydrophobicContact CG-CB 4.42Å; E486-V502 HydrophobicContact CG-CG1 3.46Å; E486-V502 VanDerWaalsContact CG-CG1 3.46Å; E486-V502 HydrophobicContact CG-CG2 4.04Å; E486-V502 WeakPolarHBondContact OE1-CG1 3.44Å; E486-K506 VanDerWaalsContact CD-CE 3.48Å; E486-K506 VanDerWaalsContact OE1-CE 3.27Å; E486-K506 WeakPolarHBondContact OE1-CE 3.49Å; E486-K506 IonicContact OE1-NZ 3.65Å; E486-K506 PolarHBondContact OE1-NZ 2.94Å; E486-K506 IonicContact OE2-NZ 2.8Å; E486-K506 PolarHBondContact OE2-NZ 2.85Å
487D87Confident87.2Confident114 Ų11468.2 Ų68.261%0.6137%0.37SS*.SBendtrans-74.5-13.3176.3-62.9-39.3000112.4T483 D484T483-D487 HydrophobicContact CG2-CB 4.14Å; D484-D487 WeakPolarHBondContact CB-OD2 3.37Å; D484-D487 PolarHBondContact N-OD2 3.45Å; D484-D487 WeakPolarHBondContact O-CB 3.49Å; D484-D487 PolarHBondContact O-N 3.11Å
488L89.8Confident87.3Confident12 Ų1269.2 Ų69.26%0.06338%0.375CS..SBendtrans-78.6140.4-178.7-62.8-179.9000111.3L437 P438 L472 L476 T483 E486 Y490L437-L488 HydrophobicContact CD2-CD2 4.05Å; P438-L488 HydrophobicContact CG-CB 4.01Å; P438-L488 HydrophobicContact CG-CD1 4.4Å; L472-L488 HydrophobicContact CD1-CD1 4.27Å; L472-L488 HydrophobicContact CD2-CD1 4.39Å; L476-L488 HydrophobicContact CD1-CD1 4.25Å; T483-L488 HydrophobicContact CG2-CD2 3.9Å; T483-L488 HydrophobicContact CG2-CG 4.38Å; E486-L488 PolarHBondContact O-N 2.91Å; L488-Y490 HydrophobicContact CB-CE1 4.3Å; L488-Y490 HydrophobicContact CB-CE2 3.81Å; L488-Y490 WeakPolarHBondContact O-CD2 2.96Å; L488-Y490 VanDerWaalsContact O-CE2 3.23Å; L488-Y490 WeakPolarHBondContact O-CE2 3.29Å
489T88.8Confident87.4Confident96 Ų9671.9 Ų71.959%0.58940%0.395SS*.  trans-80.9127.2-178.8-56.80000111.4D491T489-D491 HydrophobicContact CG2-CB 4.3Å
490Y92Very high87.8Confident16 Ų1674.2 Ų74.26%0.06341%0.409CS..  trans-132.831.7-179.8-51.2-78000112.7P438 L472 P485 L488 Y492 V493 V498 I501 V502P438-Y490 HydrophobicContact CG-CD1 4.02Å; P438-Y490 HydrophobicContact CG-CE1 3.7Å; L472-Y490 HydrophobicContact CD1-CE1 4.21Å; P485-Y490 VanDerWaalsContact O-CE2 3.31Å; P485-Y490 WeakPolarHBondContact O-CE2 3.4Å; P485-Y490 PolarHBondContact O-OH 3.08Å; L488-Y490 HydrophobicContact CB-CE1 4.3Å; L488-Y490 HydrophobicContact CB-CE2 3.81Å; L488-Y490 WeakPolarHBondContact O-CD2 2.96Å; L488-Y490 VanDerWaalsContact O-CE2 3.23Å; L488-Y490 WeakPolarHBondContact O-CE2 3.29Å; Y490-Y492 PolarHBondContact O-N 3.41Å; Y490-Y492 VanDerWaalsContact O-N 3.13Å; Y490-V493 VanDerWaalsContact O-CG2 3.26Å; Y490-V493 WeakPolarHBondContact O-CG2 3.35Å; Y490-V493 PolarHBondContact O-N 2.73Å; Y490-V498 HydrophobicContact CD2-CG1 4.01Å; Y490-V498 HydrophobicContact CG-CG1 4.46Å; Y490-I501 HydrophobicContact CD1-CD1 4.29Å; Y490-I501 HydrophobicContact CD1-CG2 4.45Å; Y490-I501 HydrophobicContact CE1-CD1 4.46Å; Y490-I501 HydrophobicContact CE1-CG2 3.63Å; Y490-V502 HydrophobicContact CE2-CG2 4.03Å
491D88.1Confident88.6Confident140 Ų14070.6 Ų70.675%0.74937%0.372SS*.THydrogen-bonded Turntrans-60.1-20.3-177.764.7-27.9000114.5T489T489-D491 HydrophobicContact CG2-CB 4.3Å
492Y88.4Confident89.5Confident54 Ų5469.2 Ų69.221%0.21236%0.364CS..THydrogen-bonded Turntrans-83.9-3.8179.365.3-90.7000114.9P438 P440 L445 M468 Y490P438-Y492 HydrophobicContact CB-CE1 4.05Å; P440-Y492 HydrophobicContact CB-CD1 4.04Å; P440-Y492 HydrophobicContact CB-CD2 3.71Å; P440-Y492 HydrophobicContact CB-CE1 4.18Å; P440-Y492 HydrophobicContact CB-CE2 3.89Å; P440-Y492 HydrophobicContact CB-CG 3.8Å; P440-Y492 HydrophobicContact CG-CD1 3.58Å; P440-Y492 HydrophobicContact CG-CD2 4.18Å; P440-Y492 HydrophobicContact CG-CE1 3.85Å; P440-Y492 HydrophobicContact CG-CE2 4.44Å; P440-Y492 HydrophobicContact CG-CG 3.75Å; L445-Y492 HydrophobicContact CD1-CD2 3.8Å; L445-Y492 HydrophobicContact CD1-CE2 4.31Å; L445-Y492 VanDerWaalsContact O-CE2 3.24Å; L445-Y492 WeakPolarHBondContact O-CE2 3.39Å; M468-Y492 WeakPolarHBondContact CE-OH 3.39Å; Y490-Y492 PolarHBondContact O-N 3.41Å; Y490-Y492 VanDerWaalsContact O-N 3.13Å
493V88.9Confident90.4Very high17 Ų1762.9 Ų62.910%0.10334%0.343CS..SBendtrans-123.9157.2176.8-85.10000112.2L445 Y490 R497 V498 I501L445-V493 HydrophobicContact CD1-CG1 3.96Å; L445-V493 HydrophobicContact CD2-CG1 3.89Å; L445-V493 HydrophobicContact CG-CG1 3.81Å; Y490-V493 VanDerWaalsContact O-CG2 3.26Å; Y490-V493 WeakPolarHBondContact O-CG2 3.35Å; Y490-V493 PolarHBondContact O-N 2.73Å; V493-R497 HydrophobicContact CB-CB 4.11Å; V493-R497 HydrophobicContact CG1-CB 4.4Å; V493-V498 HydrophobicContact CG2-CG2 3.76Å; V493-I501 HydrophobicContact CG2-CD1 4.33Å
494D90.5Very high90.9Very high64 Ų6461.7 Ų61.734%0.34234%0.337SS..  trans-73.2155.917652.729.1000112.6E496 R497 V498D494-E496 PolarHBondContact O-N 3.47Å; D494-E496 VanDerWaalsContact O-N 3.11Å; D494-R497 VanDerWaalsContact CG-CZ 3.49Å; D494-R497 PolarHBondContact O-N 3.48Å; D494-R497 WeakPolarHBondContact OD1-CB 3.48Å; D494-R497 WeakPolarHBondContact OD1-CD 3.43Å; D494-R497 WeakPolarHBondContact OD1-CG 3.41Å; D494-R497 IonicContact OD1-CZ 3.56Å; D494-R497 VanDerWaalsContact OD1-CZ 3.23Å; D494-R497 PolarHBondContact OD1-N 2.64Å; D494-R497 IonicContact OD1-NE 3.23Å; D494-R497 IonicContact OD1-NH1 2.75Å; D494-R497 PolarHBondContact OD1-NH1 2.95Å; D494-R497 IonicContact OD1-NH2 2.69Å; D494-R497 PolarHBondContact OD1-NH2 2.82Å; D494-R497 IonicContact OD2-CZ 3.26Å; D494-R497 IonicContact OD2-NH1 3.49Å; D494-R497 PolarHBondContact OD2-NH1 3.08Å; D494-R497 IonicContact OD2-NH2 3.01Å; D494-R497 PolarHBondContact OD2-NH2 2.97Å; D494-V498 WeakPolarHBondContact O-CG2 3.17Å; D494-V498 PolarHBondContact O-N 3.15Å
495S90.9Very high91.4Very high103 Ų10359.3 Ų59.372%0.7233%0.325SS*.Hα-helixtrans-59.1-26.5-174.350.70000114C499S495-C499 VanDerWaalsContact O-CB 3.23Å; S495-C499 WeakPolarHBondContact O-CB 3.29Å; S495-C499 PolarHBondContact O-N 3.03Å
496E91.5Very high91.8Very high146 Ų14661.3 Ų61.368%0.68233%0.333SS*.Hα-helixtrans-65.6-45.9172.2-170-175.8159.100111.4D494 T500D494-E496 PolarHBondContact O-N 3.47Å; D494-E496 VanDerWaalsContact O-N 3.11Å; E496-T500 PolarHBondContact O-N 3.38Å; E496-T500 PolarHBondContact O-OG1 3.49Å
497R93.3Very high92Very high82 Ų8260 Ų6031%0.30933%0.333SS..Hα-helixtrans-69.2-39.9174.3-72.7173.4-160.5102.146.1112Y446 V493 D494 T500 I501Y446-R497 WeakPolarHBondContact OH-CD 3.49Å; V493-R497 HydrophobicContact CB-CB 4.11Å; V493-R497 HydrophobicContact CG1-CB 4.4Å; D494-R497 VanDerWaalsContact CG-CZ 3.49Å; D494-R497 PolarHBondContact O-N 3.48Å; D494-R497 WeakPolarHBondContact OD1-CB 3.48Å; D494-R497 WeakPolarHBondContact OD1-CD 3.43Å; D494-R497 WeakPolarHBondContact OD1-CG 3.41Å; D494-R497 IonicContact OD1-CZ 3.56Å; D494-R497 VanDerWaalsContact OD1-CZ 3.23Å; D494-R497 PolarHBondContact OD1-N 2.64Å; D494-R497 IonicContact OD1-NE 3.23Å; D494-R497 IonicContact OD1-NH1 2.75Å; D494-R497 PolarHBondContact OD1-NH1 2.95Å; D494-R497 IonicContact OD1-NH2 2.69Å; D494-R497 PolarHBondContact OD1-NH2 2.82Å; D494-R497 IonicContact OD2-CZ 3.26Å; D494-R497 IonicContact OD2-NH1 3.49Å; D494-R497 PolarHBondContact OD2-NH1 3.08Å; D494-R497 IonicContact OD2-NH2 3.01Å; D494-R497 PolarHBondContact OD2-NH2 2.97Å; R497-T500 WeakPolarHBondContact O-CB 3.47Å; R497-T500 PolarHBondContact O-N 2.77Å; R497-I501 WeakPolarHBondContact O-CD1 3.4Å; R497-I501 VanDerWaalsContact O-CG1 3.25Å; R497-I501 WeakPolarHBondContact O-CG1 3.26Å; R497-I501 PolarHBondContact O-N 2.88Å
498V94.1Very high92.3Very high39 Ų3955 Ų5524%0.23631%0.308CS..Hα-helixtrans-57.4-50.7174.2179.60000110.6Y490 V493 D494 T500 I501 V502Y490-V498 HydrophobicContact CD2-CG1 4.01Å; Y490-V498 HydrophobicContact CG-CG1 4.46Å; V493-V498 HydrophobicContact CG2-CG2 3.76Å; D494-V498 WeakPolarHBondContact O-CG2 3.17Å; D494-V498 PolarHBondContact O-N 3.15Å; V498-T500 VanDerWaalsContact C-N 3.27Å; V498-T500 PolarHBondContact O-N 3.41Å; V498-I501 PolarHBondContact O-N 3.38Å; V498-V502 HydrophobicContact CG1-CG2 4.27Å; V498-V502 WeakPolarHBondContact O-CB 3.28Å; V498-V502 WeakPolarHBondContact O-CG2 3.35Å; V498-V502 PolarHBondContact O-N 2.9Å
499C92.8Very high92.4Very high79 Ų7955.5 Ų55.553%0.53431%0.309SS..Hα-helixtrans-57-41.1176.4-175.60000112S495 T503S495-C499 VanDerWaalsContact O-CB 3.23Å; S495-C499 WeakPolarHBondContact O-CB 3.29Å; S495-C499 PolarHBondContact O-N 3.03Å; C499-T503 WeakPolarHBondContact O-CB 3.33Å; C499-T503 PolarHBondContact O-N 3.48Å; C499-T503 PolarHBondContact O-OG1 3.38Å
500T95.1Very high92.4Very high52 Ų5254.9 Ų54.932%0.31930%0.3SS..Hα-helixtrans-64-47.4176.3-55.30000112.3A466 E496 R497 V498 A504A466-T500 HydrophobicContact CB-CG2 3.97Å; E496-T500 PolarHBondContact O-N 3.38Å; E496-T500 PolarHBondContact O-OG1 3.49Å; R497-T500 WeakPolarHBondContact O-CB 3.47Å; R497-T500 PolarHBondContact O-N 2.77Å; V498-T500 VanDerWaalsContact C-N 3.27Å; V498-T500 PolarHBondContact O-N 3.41Å; T500-A504 WeakPolarHBondContact O-CB 3.26Å; T500-A504 PolarHBondContact O-N 3.47Å
501I95.9Very high92.2Very high0 Ų058 Ų580%032%0.317CS..Hα-helixtrans-61.4-54.3179.2-67.1159.8000109.6S465 M468 G469 L472 Y490 V493 R497 V498 T503 A504 A505S465-I501 VanDerWaalsContact O-CG1 3.28Å; S465-I501 WeakPolarHBondContact O-CG1 3.49Å; M468-I501 HydrophobicContact SD-CD1 4.07Å; M468-I501 HydrophobicContact SD-CG1 4.49Å; G469-I501 WeakPolarHBondContact CA-O 3.26Å; L472-I501 HydrophobicContact CD1-CG2 3.95Å; Y490-I501 HydrophobicContact CD1-CD1 4.29Å; Y490-I501 HydrophobicContact CD1-CG2 4.45Å; Y490-I501 HydrophobicContact CE1-CD1 4.46Å; Y490-I501 HydrophobicContact CE1-CG2 3.63Å; V493-I501 HydrophobicContact CG2-CD1 4.33Å; R497-I501 WeakPolarHBondContact O-CD1 3.4Å; R497-I501 VanDerWaalsContact O-CG1 3.25Å; R497-I501 WeakPolarHBondContact O-CG1 3.26Å; R497-I501 PolarHBondContact O-N 2.88Å; V498-I501 PolarHBondContact O-N 3.38Å; I501-T503 PolarHBondContact O-N 2.93Å; I501-A504 PolarHBondContact O-N 2.97Å; I501-A505 VanDerWaalsContact O-CB 3.27Å; I501-A505 WeakPolarHBondContact O-CB 3.44Å; I501-A505 PolarHBondContact O-N 3.35Å
502V95.6Very high92Very high15 Ų1551.6 Ų51.69%0.09128%0.283CS..Hα-helixtrans-58.4-46.6-179.4166.20000111.5E486 Y490 V498 A504 A505 K506E486-V502 HydrophobicContact CG-CB 4.42Å; E486-V502 HydrophobicContact CG-CG1 3.46Å; E486-V502 VanDerWaalsContact CG-CG1 3.46Å; E486-V502 HydrophobicContact CG-CG2 4.04Å; E486-V502 WeakPolarHBondContact OE1-CG1 3.44Å; Y490-V502 HydrophobicContact CE2-CG2 4.03Å; V498-V502 HydrophobicContact CG1-CG2 4.27Å; V498-V502 WeakPolarHBondContact O-CB 3.28Å; V498-V502 WeakPolarHBondContact O-CG2 3.35Å; V498-V502 PolarHBondContact O-N 2.9Å; V502-A504 PolarHBondContact O-N 3.03Å; V502-A505 PolarHBondContact O-N 2.88Å; V502-K506 HydrophobicContact CG1-CD 4.3Å; V502-K506 HydrophobicContact CG1-CG 4.5Å; V502-K506 PolarHBondContact O-N 2.85Å
503T93.5Very high91.6Very high79 Ų7953 Ų5349%0.48529%0.291SS..Hα-helixtrans-64.8-43-178.8-58.40000111.7C499 I501 T507C499-T503 WeakPolarHBondContact O-CB 3.33Å; C499-T503 PolarHBondContact O-N 3.48Å; C499-T503 PolarHBondContact O-OG1 3.38Å; I501-T503 PolarHBondContact O-N 2.93Å; T503-T507 VanDerWaalsContact O-CB 3.28Å; T503-T507 WeakPolarHBondContact O-CB 3.27Å; T503-T507 PolarHBondContact O-N 3.25Å; T503-T507 PolarHBondContact O-OG1 3.27Å
504A95.8Very high90.8Very high20 Ų2059.7 Ų59.717%0.16531%0.314CS..Hα-helixtrans-67.2-37.2176.400000112.1A466 T500 I501 V502 S508A466-A504 WeakPolarHBondContact O-CB 3.46Å; T500-A504 WeakPolarHBondContact O-CB 3.26Å; T500-A504 PolarHBondContact O-N 3.47Å; I501-A504 PolarHBondContact O-N 2.97Å; V502-A504 PolarHBondContact O-N 3.03Å; A504-S508 WeakPolarHBondContact O-CB 3.49Å; A504-S508 PolarHBondContact O-N 3.35Å; A504-S508 PolarHBondContact O-OG 3.37Å
505A95.3Very high89.4Confident0 Ų062.3 Ų62.30%032%0.319CS..Hα-helixtrans-65.9-54.5176.400000112.1G469 L472 G473 P485 I501 V502 T507 S508 F509G469-A505 WeakPolarHBondContact O-CA 3.35Å; G469-A505 WeakPolarHBondContact O-CB 3.39Å; G469-A505 PolarHBondContact O-N 3.32Å; L472-A505 HydrophobicContact CB-CB 4.47Å; G473-A505 WeakPolarHBondContact CA-O 3.35Å; P485-A505 HydrophobicContact CB-CB 3.51Å; P485-A505 HydrophobicContact CG-CB 3.73Å; I501-A505 VanDerWaalsContact O-CB 3.27Å; I501-A505 WeakPolarHBondContact O-CB 3.44Å; I501-A505 PolarHBondContact O-N 3.35Å; V502-A505 PolarHBondContact O-N 2.88Å; A505-T507 VanDerWaalsContact C-N 3.29Å; A505-T507 PolarHBondContact O-N 2.98Å; A505-S508 PolarHBondContact O-N 3.08Å; A505-S508 VanDerWaalsContact O-N 3.08Å; A505-F509 WeakPolarHBondContact O-CB 3.48Å; A505-F509 PolarHBondContact O-N 3.48Å
506K93.4Very high87.7Confident42 Ų4264.1 Ų64.118%0.18331%0.311CS..Hα-helixtrans-58.1-41.6177.1-70.7-167171.3-167.30112D484 P485 E486 V502 S508 H510D484-K506 VanDerWaalsContact CG-CE 3.47Å; D484-K506 WeakPolarHBondContact OD1-CE 3.46Å; D484-K506 IonicContact OD1-NZ 2.68Å; D484-K506 PolarHBondContact OD1-NZ 2.77Å; D484-K506 WeakPolarHBondContact OD2-CE 2.79Å; D484-K506 IonicContact OD2-NZ 3.44Å; D484-K506 PolarHBondContact OD2-NZ 2.85Å; D484-K506 VanDerWaalsContact OD2-NZ 3.08Å; P485-K506 HydrophobicContact CB-CG 4.35Å; P485-K506 HydrophobicContact CG-CG 4.16Å; E486-K506 VanDerWaalsContact CD-CE 3.48Å; E486-K506 VanDerWaalsContact OE1-CE 3.27Å; E486-K506 WeakPolarHBondContact OE1-CE 3.49Å; E486-K506 IonicContact OE1-NZ 3.65Å; E486-K506 PolarHBondContact OE1-NZ 2.94Å; E486-K506 IonicContact OE2-NZ 2.8Å; E486-K506 PolarHBondContact OE2-NZ 2.85Å; V502-K506 HydrophobicContact CG1-CD 4.3Å; V502-K506 HydrophobicContact CG1-CG 4.5Å; V502-K506 PolarHBondContact O-N 2.85Å; K506-S508 VanDerWaalsContact C-N 3.34Å; K506-S508 PolarHBondContact O-N 3.34Å; K506-H510 WeakPolarHBondContact O-CB 3.33Å; K506-H510 PolarHBondContact O-CD2 3.3Å; K506-H510 VanDerWaalsContact O-CG 3.31Å; K506-H510 PolarHBondContact O-N 3.02Å
507T91.6Very high85.7Confident89 Ų8961.3 Ų61.355%0.54631%0.308SS..Hα-helixtrans-58.5-44.9175.3-59.70000112T503 A505 L511T503-T507 VanDerWaalsContact O-CB 3.28Å; T503-T507 WeakPolarHBondContact O-CB 3.27Å; T503-T507 PolarHBondContact O-N 3.25Å; T503-T507 PolarHBondContact O-OG1 3.27Å; A505-T507 VanDerWaalsContact C-N 3.29Å; A505-T507 PolarHBondContact O-N 2.98Å; T507-L511 VanDerWaalsContact O-CB 3.26Å; T507-L511 WeakPolarHBondContact O-CB 3.36Å; T507-L511 PolarHBondContact O-N 2.83Å
508S93.3Very high83Confident10 Ų1064.2 Ų64.27%0.0733%0.325CS..Hα-helixtrans-75.7-41-176.7-53.30000112.3H470 A504 A505 K506 L511 M512H470-S508 PolarHBondContact ND1-OG 3.46Å; A504-S508 WeakPolarHBondContact O-CB 3.49Å; A504-S508 PolarHBondContact O-N 3.35Å; A504-S508 PolarHBondContact O-OG 3.37Å; A505-S508 PolarHBondContact O-N 3.08Å; A505-S508 VanDerWaalsContact O-N 3.08Å; K506-S508 VanDerWaalsContact C-N 3.34Å; K506-S508 PolarHBondContact O-N 3.34Å; S508-L511 PolarHBondContact O-N 2.87Å; S508-M512 WeakPolarHBondContact O-CB 3.47Å; S508-M512 WeakPolarHBondContact O-CG 3.46Å; S508-M512 PolarHBondContact O-N 3.47Å
509F91.3Very high79.9Confident22 Ų2266.9 Ų66.910%0.09635%0.346CS..Hα-helixtrans-60.3-52.5177.6-179.1-107.9000111.9G473 L476 A505 L511 M512 Q513G473-F509 WeakPolarHBondContact O-CA 3.3Å; L476-F509 HydrophobicContact CB-CD2 3.9Å; L476-F509 HydrophobicContact CB-CE2 3.89Å; A505-F509 WeakPolarHBondContact O-CB 3.48Å; A505-F509 PolarHBondContact O-N 3.48Å; F509-L511 VanDerWaalsContact C-N 3.32Å; F509-L511 PolarHBondContact O-N 2.92Å; F509-M512 PolarHBondContact O-N 3.09Å; F509-Q513 VanDerWaalsContact CE1-NE2 3.3Å; F509-Q513 WeakPolarHBondContact O-CG 3.46Å; F509-Q513 PolarHBondContact O-N 2.91Å
510H88.7Confident77.3Confident84 Ų8468 Ų6839%0.38935%0.346SS..Hα-helixtrans-66.9-31.8178.2-63.4-44.8000112.9K506 R514K506-H510 WeakPolarHBondContact O-CB 3.33Å; K506-H510 PolarHBondContact O-CD2 3.3Å; K506-H510 VanDerWaalsContact O-CG 3.31Å; K506-H510 PolarHBondContact O-N 3.02Å; H510-R514 WeakPolarHBondContact O-CG 3.39Å; H510-R514 PolarHBondContact O-N 3.19Å
511L87.3Confident74.8Confident80 Ų8072.3 Ų72.342%0.41937%0.373SS..Hα-helixtrans-72.1-36.3177.4-167.867.3000111.8V387 T507 S508 F509V387-L511 HydrophobicContact CB-CD2 4.49Å; V387-L511 HydrophobicContact CG1-CD2 4.28Å; V387-L511 HydrophobicContact CG2-CB 4.32Å; V387-L511 HydrophobicContact CG2-CD2 3.79Å; V387-L511 HydrophobicContact CG2-CG 3.71Å; T507-L511 VanDerWaalsContact O-CB 3.26Å; T507-L511 WeakPolarHBondContact O-CB 3.36Å; T507-L511 PolarHBondContact O-N 2.83Å; S508-L511 PolarHBondContact O-N 2.87Å; F509-L511 VanDerWaalsContact C-N 3.32Å; F509-L511 PolarHBondContact O-N 2.92Å
512M83.8Confident72.5Confident7 Ų782.5 Ų82.53%0.03441%0.413CS..Hα-helixtrans-67.6-46.4171.4-77.3-68.8-7700112.4V387 T389 L474 S477 Q478 S508 F509 R514 R515 Y516V387-M512 HydrophobicContact CB-SD 3.93Å; V387-M512 HydrophobicContact CG1-CG 4.33Å; V387-M512 HydrophobicContact CG1-SD 4.23Å; V387-M512 HydrophobicContact CG2-CG 4.28Å; V387-M512 HydrophobicContact CG2-SD 3.87Å; T389-M512 HydrophobicContact CG2-CE 3.92Å; T389-M512 HydrophobicContact CG2-SD 3.68Å; L474-M512 HydrophobicContact CD2-CE 4.5Å; L474-M512 HydrophobicContact CD2-CG 3.52Å; L474-M512 HydrophobicContact CD2-SD 3.9Å; S477-M512 WeakPolarHBondContact OG-CB 3.42Å; Q478-M512 HydrophobicContact CG-CE 4.28Å; S508-M512 WeakPolarHBondContact O-CB 3.47Å; S508-M512 WeakPolarHBondContact O-CG 3.46Å; S508-M512 PolarHBondContact O-N 3.47Å; F509-M512 PolarHBondContact O-N 3.09Å; M512-R514 VanDerWaalsContact C-N 3.27Å; M512-R514 PolarHBondContact O-N 2.88Å; M512-R515 WeakPolarHBondContact O-CB 3.3Å; M512-R515 PolarHBondContact O-N 3.11Å; M512-Y516 HydrophobicContact CE-CE2 4.17Å; M512-Y516 WeakPolarHBondContact O-CD2 3.2Å
513Q81.2Confident70Confident82 Ų8287.6 Ų87.638%0.38344%0.438SS..Hα-helixtrans-56.7-38.6-179.2-79.7-175.2-13.500113F509 R515 Y516 S517F509-Q513 VanDerWaalsContact CE1-NE2 3.3Å; F509-Q513 WeakPolarHBondContact O-CG 3.46Å; F509-Q513 PolarHBondContact O-N 2.91Å; Q513-R515 VanDerWaalsContact C-N 3.29Å; Q513-R515 PolarHBondContact O-N 3.03Å; Q513-Y516 CarbonylContact O-C 3.56Å; Q513-Y516 PolarHBondContact O-N 2.85Å; Q513-Y516 VanDerWaalsContact O-N 3.1Å; Q513-S517 WeakPolarHBondContact O-CB 3.41Å; Q513-S517 PolarHBondContact O-N 3.07Å; Q513-S517 PolarHBondContact O-OG 3.41Å
514R71.6Confident67.2Low158 Ų15890.8 Ų90.860%0.59645%0.452SS*.Hα-helixtrans-57.1-40.7175.6-72.4175.3-172.5173.73.4112.6H510 M512 Y516 S517 E518H510-R514 WeakPolarHBondContact O-CG 3.39Å; H510-R514 PolarHBondContact O-N 3.19Å; M512-R514 VanDerWaalsContact C-N 3.27Å; M512-R514 PolarHBondContact O-N 2.88Å; R514-Y516 PolarHBondContact O-N 2.94Å; R514-S517 PolarHBondContact O-N 3.15Å; R514-E518 PolarHBondContact O-N 3.31Å
515R60.6Low64.6Low119 Ų11994.1 Ų94.145%0.44948%0.48SS..Hα-helixtrans-65.9-17.4179.6-63.6-73.3-84.7176.7-8.2113.6E384 M512 Q513E384-R515 IonicContact OE1-NH1 2.68Å; E384-R515 IonicContact OE2-CZ 2.65Å; E384-R515 IonicContact OE2-NH1 3.83Å; E384-R515 PolarHBondContact OE2-NH1 2.85Å; E384-R515 IonicContact OE2-NH2 2.84Å; E384-R515 PolarHBondContact OE2-NH2 3.25Å; M512-R515 WeakPolarHBondContact O-CB 3.3Å; M512-R515 PolarHBondContact O-N 3.11Å; Q513-R515 VanDerWaalsContact C-N 3.29Å; Q513-R515 PolarHBondContact O-N 3.03Å
516Y55.6Low61.8Low141 Ų141101.8 Ų101.855%0.55352%0.52SS*.Hα-helixtrans-107.1-2.6173.6-65.2-74.9000113.7Q478 M512 Q513 R514Q478-Y516 PolarHBondContact OE1-OH 2.98Å; M512-Y516 HydrophobicContact CE-CE2 4.17Å; M512-Y516 WeakPolarHBondContact O-CD2 3.2Å; Q513-Y516 CarbonylContact O-C 3.56Å; Q513-Y516 PolarHBondContact O-N 2.85Å; Q513-Y516 VanDerWaalsContact O-N 3.1Å; R514-Y516 PolarHBondContact O-N 2.94Å
517S49.9Very low59Low87 Ų87105.8 Ų105.861%0.60855%0.55SS**Hα-helixtrans-103.3-18.1-179.6-55.40000113.9Q513 R514 S519Q513-S517 WeakPolarHBondContact O-CB 3.41Å; Q513-S517 PolarHBondContact O-N 3.07Å; Q513-S517 PolarHBondContact O-OG 3.41Å; R514-S517 PolarHBondContact O-N 3.15Å; S517-S519 PolarHBondContact O-N 3.48Å
518E36.1Very low56.2Low144 Ų144107 Ų10767%0.67356%0.562SS**  trans-77.966.6178.2-73.3177.317700112.2R514 N520R514-E518 PolarHBondContact O-N 3.31Å; E518-N520 PolarHBondContact O-N 3.36Å
519S30Very low53.3Low95 Ų95113.9 Ų113.966%0.66460%0.597SS**  trans-73.1112.9159.748.50000109S517 T521S517-S519 PolarHBondContact O-N 3.48Å; S519-T521 PolarHBondContact O-N 3.32Å
520N38.1Very low50.7Low103 Ų103118.9 Ų118.955%0.55163%0.631SS**  trans-74.888.1-176.9-96.8-49.9000110.9E518 Y522 I523E518-N520 PolarHBondContact O-N 3.36Å; N520-Y522 PolarHBondContact O-N 3.45Å; N520-I523 PolarHBondContact O-N 3.31Å; N520-I523 VanDerWaalsContact O-N 3.11Å
521T42.7Very low48.1Very low142 Ų142123.1 Ų123.187%0.87165%0.652SS**THydrogen-bonded Turntrans-62.611.8177.953.40000115.5S519S519-T521 PolarHBondContact O-N 3.32Å
522Y47.8Very low45.4Very low214 Ų214127.1 Ų127.184%0.83967%0.673SS**THydrogen-bonded Turntrans-117.6-7.2178.6-167.9-102.5000113.6N520N520-Y522 PolarHBondContact O-N 3.45Å
523I42.4Very low43.1Very low122 Ų122131.7 Ų131.763%0.62671%0.706SS**THydrogen-bonded Turntrans-127.2-39.6-171-52.6-177.1000113.4N520 A525N520-I523 PolarHBondContact O-N 3.31Å; N520-I523 VanDerWaalsContact O-N 3.11Å; I523-A525 PolarHBondContact O-N 2.87Å
524D35.3Very low40.9Very low145 Ų145134.5 Ų134.578%0.77572%0.723SS**  trans-80.2120-178.5-69.5-41.3000112.1
525A40.4Very low39.5Very low91 Ų91136 Ų13675%0.75274%0.738SS**  trans-98.9135.5-172.500000113.2I523I523-A525 PolarHBondContact O-N 2.87Å
526L37.4Very low38.5Very low160 Ų160137.1 Ų137.184%0.83875%0.751SS**  trans49.3121.7160.7-63.6173.8000118.4S528L526-S528 PolarHBondContact O-N 3.31Å
527P34.8Very low37.6Very low127 Ų127139.7 Ų139.783%0.82576%0.761SS**PPolyproline II helixtrans-67.6123.7175.229.2-34000111.4
528S32.1Very low37Very low114 Ų114143.6 Ų143.680%0.79778%0.775SS**PPolyproline II helixtrans-79.2120.317240.90000110.9L526L526-S528 PolarHBondContact O-N 3.31Å
529I32.6Very low37.1Very low154 Ų154142.1 Ų142.179%0.7977%0.771SS**PPolyproline II helixtrans-72.7125172.8-60.8171.8000108.2Q531I529-Q531 PolarHBondContact O-N 3.35Å
530P35.7Very low37.3Very low127 Ų127144.1 Ų144.183%0.82578%0.78SS**PPolyproline II helixtrans-76.9117175.230.1-32.1000110.2
531Q33.7Very low37.1Very low174 Ų174143.7 Ų143.781%0.81379%0.79SS**  trans-116.6113.8177.3-172.5172.5-5.900110.9I529I529-Q531 PolarHBondContact O-N 3.35Å
532N31.7Very low36.7Very low163 Ų163142.1 Ų142.187%0.87279%0.785SS**  trans-161.2143163.7-94-60.6000105.7
533S35.5Very low36Very low104 Ų104139.4 Ų139.473%0.72778%0.784SS**  cis-145.6161.17.850.10000111.1
534D34.1Very low35.5Very low140 Ų140138.1 Ų138.175%0.74979%0.791SS**  trans-77.4130-177.9-51.3-84.1000114.5
535E42.2Very low35.7Very low191 Ų191138.8 Ų138.889%0.89380%0.795SS**  trans-126.996.8146.9-74.5-173.3138.600105.5
536I41.4Very low35.7Very low141 Ų141138.5 Ų138.572%0.72379%0.785SS**  65.89281.9-62.7179.2000112.3
537Y35.2Very low35.3Very low196 Ų196140.6 Ų140.677%0.76979%0.791SS**  trans28.5118.8151-63.5-89000119.6
538D37.8Very low35.1Very low169 Ų169141.7 Ų141.790%0.90479%0.789SS**  -129.5152.9102.4-151-5.1000109.3
539D39.3Very low35.1Very low112 Ų112139.7 Ų139.760%0.59978%0.779SS**  trans-122.7176.9-166.1-133.9-40.4000110.9
540V32.9Very low35.1Very low138 Ų138140.5 Ų140.584%0.83678%0.78SS**  trans72.3120176.6-165.80000113.7
541A34Very low34.8Very low93 Ų93142.7 Ų142.777%0.76978%0.779SS**  cis-141.4166.240.900000115
542S34.9Very low34.6Very low110 Ų110140.4 Ų140.477%0.76977%0.773SS**  trans-91.2-171.1174.7-45.40000112.6
543I32Very low34.3Very low157 Ų157138.1 Ų138.181%0.80577%0.765SS**  trans87.8108.7-176-53.9156000109.5
544A33Very low33.9Very low94 Ų94140.9 Ų140.978%0.77777%0.766SS**  cis75.8144.949.300000113.5
545D38.3Very low33.9Very low160 Ų160139.4 Ų139.486%0.85676%0.764SS**  trans-51.4151175-75.1-53.7000112
546P41.3Very low32.9Very low85 Ų85135.3 Ų135.355%0.55276%0.757SS**  cis-137.3-174.931.643.9-27.9000116.2
547E29.7Very low32.2Very low204 Ų204133.6 Ų133.695%0.95376%0.756SS**  trans-104.2131.6138.1-76.9-161.5116.700108.8
548D29.9Very low31.8Very low150 Ų150132.8 Ų132.880%0.80276%0.759SS**  trans-88.9164.4-161.9-96.5-51.6000115.1
549A31.3Very low31.4Very low71 Ų71131.4 Ų131.459%0.58775%0.747SS**  trans-91.4174.9175.500000113.1
550E32.4Very low30.8Very low172 Ų172133 Ų13380%0.80475%0.749SS**  trans69.9154170.3-40.2-54.7150.600115.6
551E30.7Very low30.3Very low173 Ų173133.6 Ų133.681%0.80875%0.748SS**  cis-147.41515.7-148.1-175.1162.100112.9
552D28Very low30Very low126 Ų126136.4 Ų136.467%0.67475%0.75SS**  trans37.2129.8156.1-15217.4000123.6Q554D552-Q554 PolarHBondContact OD1-N 2.93Å
553T26.3Very low30.6Very low115 Ų115135.4 Ų135.471%0.70674%0.741SS**  -163.198.1110.5-66.20000110.6
554Q26.9Very low30.2Very low162 Ų162135.5 Ų135.576%0.75774%0.737SS**  trans65.6162162-58.1-177.6-99.400118.9D552D552-Q554 PolarHBondContact OD1-N 2.93Å
555P35.4Very low29.9Very low109 Ų109136 Ų13671%0.70873%0.727SS**  cis-132.7155.8-46.137.6-23000114.4
556S20.8Very low29.6Very low105 Ų105136 Ų13673%0.73472%0.722SS**  trans15.7110.4146.7-173.70000118.3
557C26.2Very low28.9Very low105 Ų105139.5 Ų139.571%0.70974%0.736SS**  cis109.8178.231.378.60000113.2
558E26.9Very low28.8Very low178 Ų178133.2 Ų133.283%0.83272%0.719SS**  trans76.8151.2-179.6-60.1-174.4-177.500118.9
559E28.7Very low28.8Very low141 Ų141132.6 Ų132.666%0.65972%0.72SS**  cis-160.9161.3-49.9-128.7-155.5165.700111.6
560K26.2Very low28.6Very low145 Ų145136.9 Ų136.963%0.6373%0.728SS**  trans38.7122.8152.1-71.6178.5-174.2119.60122.1
561N24.1Very low29.2Very low151 Ų151133.6 Ų133.681%0.80772%0.722SS**  trans80.3139.9132.8-62.1-23.9000123.2
562N26.1Very low29.1Very low152 Ų152131.4 Ų131.481%0.81372%0.716SS**  trans-29.5166148.1-129.113.2000116
563P47.7Very low29.1Very low89 Ų89132 Ų13258%0.57872%0.719SS**  cis-149.5-163.116.944.1-22.1000117.9
564Q24.9Very low29.3Very low158 Ų158130.1 Ų130.174%0.73872%0.715SS**  trans89.2122.7145.3-87.4177.5-98.900123.3
565D26.7Very low29.6Very low105 Ų105127.9 Ų127.956%0.56171%0.712SS**  90.5127.3125.4-77.6-27.5000126.6
566H30.4Very low29.4Very low160 Ų160131 Ų13174%0.74172%0.718SS**  trans82.594.2131.3-70.614000122.1
567N26.8Very low29.9Very low158 Ų158134 Ų13485%0.84572%0.72SS**  101147.8107.4-157.820.2000120.7
568A28.2Very low30.2Very low72 Ų72136.4 Ų136.460%0.59573%0.726SS**  trans61.9106.6158.400000120.7
569T29.6Very low30.5Very low137 Ų137132.2 Ų132.284%0.8472%0.716SS**  172.4127.393.5-66.10000112.2
570Q28.6Very low30.6Very low162 Ų162132.3 Ų132.376%0.75772%0.721SS**  trans-99.4158.4164.3-95.5-99.4-18.800107.8
571P43.2Very low30.9Very low102 Ų102132.7 Ų132.766%0.66273%0.73SS**  -153.3171.457.943.1-22.9000119.3
572D29.1Very low31.3Very low127 Ų127137.5 Ų137.568%0.67974%0.737SS**  trans61.1142.3146.7-64.2-10.7000120.5
573N29Very low31.7Very low140 Ų140136.5 Ų136.575%0.74973%0.73SS**  cis-153.7154.211.4-138.6-44.1000114
574A30.6Very low30.9Very low74 Ų74142.8 Ų142.861%0.61274%0.744SS**  trans52101.7154.600000122.8
575T32Very low31.1Very low116 Ų116141.2 Ų141.271%0.71274%0.74SS**  74.8107121.4-48.60000122
576E32.5Very low31.5Very low174 Ų174143.7 Ų143.781%0.81375%0.753SS**  trans52.7149.5139.5-60.6166.7-150.900122.4
577Q30.9Very low31.7Very low169 Ų169142.2 Ų142.279%0.7975%0.75SS**  cis-158.7130-31.8172.8166-11.800109.1
578D31.4Very low32.4Very low154 Ų154141.3 Ų141.382%0.82475%0.75SS**  trans64.2156.2168.3-146.3-0.8000118.6
579S33.5Very low32.8Very low90 Ų90143.1 Ų143.163%0.62976%0.756SS**  trans-156.3157.4-168.868.40000114.5
580N32.1Very low33Very low144 Ų144144.7 Ų144.777%0.7776%0.756SS**  trans6985.7166.5-63.4-24.5000118.4
581N30.9Very low33.1Very low153 Ų153148.7 Ų148.782%0.81876%0.764SS**  14.7112.8113.9-78.3-28.4000116.6
582R34.1Very low32.5Very low251 Ų251148.4 Ų148.495%0.94776%0.764SS**  trans-137.6137141-157.9167.7-174.7130.80.2110
583I34.6Very low33Very low132 Ų132151.3 Ų151.368%0.67777%0.771SS**  trans-108.8127-163.8-62165.2000110.5L585I583-L585 HydrophobicContact CG2-CB 4.4Å
584Y29.7Very low33.3Very low220 Ų220151 Ų15186%0.86377%0.769SS**  trans-165.890.3143.3-125.9-88.9000106.3
585L29.9Very low33.4Very low125 Ų125154.6 Ų154.665%0.65477%0.773SS**  68.799.473.7-162.384.7000112.3I583I583-L585 HydrophobicContact CG2-CB 4.4Å
586D34.6Very low33.3Very low157 Ų157155.2 Ų155.284%0.8478%0.777SS**  trans-126.6157.4164.6-159.2-4.9000109.2
587L35.1Very low33.2Very low129 Ų129152.2 Ų152.268%0.67578%0.781SS**  trans-115116.8-150-72.1164.5000114.7
588V40.1Very low33Very low139 Ų139150.6 Ų150.684%0.84279%0.787SS**  trans-129.896.6163-175.30000110.8M590V588-M590 PolarHBondContact O-N 3.36Å
589P37.4Very low32.8Very low111 Ų111147 Ų14772%0.72179%0.787SS**  trans-85.8106.2176.4-10.128.4000112.4
590M33.7Very low32.6Very low169 Ų169147.1 Ų147.183%0.83379%0.793SS**  trans-78.4152.4149.1-66.2-147.8-53.700109.7V588V588-M590 PolarHBondContact O-N 3.36Å
591R30.5Very low32.4Very low246 Ų246149.9 Ų149.993%0.92880%0.798SS**  trans-142.5143.2163.6-83-161.9169171.4-1113.7
592S32Very low32.3Very low96 Ų96146.7 Ų146.767%0.67179%0.793SS**  trans-136.7125.9178.7-53.30000109.8
593F38.8Very low31.8Very low188 Ų188140 Ų14083%0.82578%0.784SS**  trans46.8110.7147.2-56.9-60.8000123.1
594L35.2Very low32.6Very low135 Ų135139.2 Ų139.271%0.70779%0.788SS**  94.6135.9119.4-66176.3000125.3
595H32.9Very low33.7Very low149 Ų149133.6 Ų133.669%0.6978%0.778SS**  trans78.2103.1144.9-64.4-44.6000125.8
596T30.2Very low33.5Very low129 Ų129135.2 Ų135.279%0.79179%0.787SS**  52.6126126.662.60000124.6
597A28.8Very low33.1Very low110 Ų110136.1 Ų136.191%0.90978%0.784SS**  175.4165.1126.900000114
598C27.8Very low32.4Very low136 Ų136137.2 Ų137.292%0.91979%0.785SS**  trans-108.9155.8-167.11790000115.1
599G27.5Very low32.7Very low79 Ų79135.6 Ų135.681%0.81478%0.777SS**  trans-175.993.8174.400000119.1
600A29.7Very low33.2Very low91 Ų91135 Ų13575%0.75277%0.774SS**  trans-75.8158.3-170.500000120.7
601K27.7Very low32.8Very low202 Ų202137.9 Ų137.988%0.87878%0.775SS**  148.1104.4129.2-84.3-174.3174.4-177.60118.7
602A28Very low32.6Very low86 Ų86132.2 Ų132.271%0.71177%0.768SS**  65.1109.1115.700000126.3
603S24.7Very low32.3Very low110 Ų110133.4 Ų133.477%0.76977%0.774SS**  71.4166.3122.873.90000121.2
604P49.6Very low32.1Very low117 Ų117130.4 Ų130.476%0.7677%0.774SS**  cis-118.8-142-6.144.3-29000110.1
605P52.6Low31.8Very low101 Ų101131.5 Ų131.566%0.65678%0.779SS**  cis-133.2-170.3-23.439.5-20.9000115.1
606L26.5Very low32Very low159 Ų159130.5 Ų130.583%0.83279%0.785SS**  trans71.2166.8153.5-10768000117.9
607K26.2Very low31.8Very low177 Ų177127.3 Ų127.377%0.7778%0.778SS**  cis-149.1-167.1-7.1-155.5-132.8163.3-155.60110.8
608E20.9Very low31.8Very low152 Ų152131.3 Ų131.371%0.7178%0.778SS**  trans-150.6176.3-169.2-80.4-167.4127.300112.9
609P46.5Very low31.7Very low104 Ų104128.2 Ų128.268%0.67577%0.769SS**  cis-131.4-134.7-40.538.3-18000107.2
610P46.3Very low31.7Very low100 Ų100131.8 Ų131.865%0.64977%0.765SS**  cis-136.7-171-3041.1-22.5000116.1
611R27.2Very low31.6Very low229 Ų229134.6 Ų134.686%0.86476%0.76SS**  trans92.7123.1141.7-84-176.6-175.2-179.11.5123.9
612V24.7Very low31.5Very low127 Ų127130.7 Ų130.777%0.7775%0.749SS**  trans88134.8132.8171.80000120.9
613C26.7Very low31.3Very low120 Ų120132.3 Ų132.381%0.81176%0.755SS**  trans-112157.1164.4-49.10000110.1
614P34.7Very low31.2Very low126 Ų126132 Ų13282%0.81875%0.753SS**  -148.6177.2122.538-21.8000116.1
615I28.6Very low30Very low158 Ų158131.4 Ų131.481%0.8175%0.75SS**  trans-96.3156.9179.2-60.6156.8000110.7
616P36.3Very low28.7Very low127 Ų127135 Ų13583%0.82576%0.758SS**  -135.1155.7129.737.6-27.8000113
617G25.8Very low28.6Very low62 Ų62132.7 Ų132.764%0.63975%0.75SS**  cis154.3114-10.500000114.3
618E29.1Very low28.6Very low194 Ų194133.2 Ų133.291%0.90775%0.752SS**  trans61.7161.8162.5-49.2-170.510800117.5
619G25.5Very low28.9Very low71 Ų71133.5 Ų133.573%0.73275%0.754SS**  cis175.6177.6-2.900000108.9
620Q28.6Very low27.9Very low154 Ų154135 Ų13572%0.7276%0.761SS**  cis-169.7164.9-10.4-147.7-172.396.600110.1
621K27.5Very low26.9Very low151 Ų151135.2 Ų135.266%0.65776%0.76SS**  trans78.2120.3153.6-78.6178.5155.6-77.60125.7
622D24.4Very low26.8Very low120 Ų120128.9 Ų128.964%0.64275%0.751SS**  81.7140.1121.5-59.4-11.7000126.4
623S25.6Very low26.9Very low119 Ų119128.4 Ų128.483%0.83275%0.749SS**  trans79.4149.4153-69.20000121.6
624S22.8Very low26.9Very low104 Ų104128.8 Ų128.873%0.72774%0.743SS**  cis-166.6149.5-23.6-167.40000113.2
625C22.6Very low26.6Very low104 Ų104133 Ų13370%0.70374%0.742SS**  trans23.8120.3158.5-66.10000125.3
626Q25.2Very low26.4Very low177 Ų177131 Ų13183%0.82774%0.738SS**  48143.8125.8-55.9-175.73.800124
627V25.6Very low26Very low110 Ų110131.7 Ų131.767%0.66773%0.73SS**  160.6140.6110.4160.20000113.7
628K26.9Very low27Very low188 Ų188134.3 Ų134.382%0.81774%0.736SS**  trans67.9133.3169.9-74.6157.5-168.3173.30118.2
629E26.1Very low26.7Very low158 Ų158132.9 Ų132.974%0.73873%0.729SS**  cis93.1118.812.4-157.2-157.715700117.8
630V25.3Very low26.7Very low135 Ų135135.3 Ų135.382%0.81874%0.735SS**  trans174.9124.2136.8151.90000105.3
631T26Very low26.8Very low105 Ų105133.1 Ų133.164%0.64474%0.737SS**  cis103.8108.120.8-60.50000113.6
632S25.6Very low27.6Very low96 Ų96131.2 Ų131.267%0.67174%0.74SS**  165.7118.4128.3-171.40000115.6
633T26.1Very low27.9Very low118 Ų118131 Ų13172%0.72474%0.742SS**  trans42.9164.5136.278.30000122.5
634N27.4Very low28.1Very low127 Ų127132 Ų13268%0.67974%0.738SS**  cis-167154.214.8-142.5-31.6000113.8
635R27.2Very low28.4Very low215 Ų215134.2 Ų134.281%0.81174%0.742SS**  trans60.3158.2145.1-101.4-176.3177-158.4-2.7121.4
636T25.7Very low28.6Very low116 Ų116132.5 Ų132.571%0.71274%0.741SS**  cis-152.2163.6-10.2-27.30000110.3
637E27.8Very low29.7Very low141 Ų141129.3 Ų129.366%0.65974%0.736SS**  trans-83177.7162-145.5-160.2116.200111.8E639E637-E639 WeakPolarHBondContact OE1-CG 3.33Å; E637-E639 PolarHBondContact OE1-N 2.88Å
638P45.2Very low29.9Very low118 Ų118131.2 Ų131.277%0.76674%0.742SS**  -153.2161.575.341-20.8000119.6
639E24.4Very low30.1Very low163 Ų163127.2 Ų127.276%0.76274%0.738SS**  trans-21.3154.9156.2-52.8-174.499.300120.7E637E637-E639 WeakPolarHBondContact OE1-CG 3.33Å; E637-E639 PolarHBondContact OE1-N 2.88Å
640S25.4Very low30.1Very low123 Ų123124.4 Ų124.486%0.8674%0.741SS**  -178.515210640.40000115.7
641S29.5Very low30.3Very low108 Ų108123.4 Ų123.476%0.75574%0.741SS**  trans-133.5179161.472.50000107.2
642P45.5Very low30.5Very low110 Ų110123.8 Ų123.871%0.71475%0.748SS**  -163.8-15958.543.1-17.5000117.6
643V28.9Very low31.4Very low116 Ų116125.4 Ų125.470%0.70376%0.756SS**  trans89.8105.6142.1156.80000122.8
644L29.8Very low31.7Very low141 Ų141124.9 Ų124.974%0.73876%0.757SS**  trans47.7140.5130.7-54.3166.2000121.6
645N29.1Very low31.8Very low150 Ų150127.5 Ų127.580%0.80276%0.762SS**  cis-157.9166.147.9-85.4-72.6000114.4
646G26.8Very low31.9Very low67 Ų67121 Ų12169%0.69175%0.754SS**  trans-106.5-149.3161.500000112
647P48.4Very low32Very low110 Ų110123.5 Ų123.571%0.71476%0.758SS**  cis-143.6174.70.244.4-27.1000117.2
648N30.2Very low32Very low151 Ų151124.3 Ų124.381%0.80776%0.762SS**  trans57.9159.7142.6-68.11.8000121.7
649S30.9Very low31.2Very low103 Ų103126.7 Ų126.772%0.7276%0.763SS**  cis-164.7151.9-2.2-118.30000113.7
650A27.6Very low31.2Very low99 Ų99130.2 Ų130.282%0.81877%0.769SS**  trans57.5169.5150.900000120
651S28.4Very low31.1Very low115 Ų115129.8 Ų129.880%0.80477%0.766SS**  cis-154.8158.8154.50000112.5
652S30.5Very low30.9Very low113 Ų113136.4 Ų136.479%0.7977%0.774SS**  trans-83.8174.6172-43.90000113.9
653P45.2Very low29.8Very low129 Ų129136.1 Ų136.184%0.83878%0.775SS**  -153.8-17093.741.1-20.9000117.6
654S31.1Very low30.3Very low108 Ų108136.7 Ų136.776%0.75578%0.781SS**  trans-75.2-173.3-176.357.60000116.4
655K31.1Very low30Very low182 Ų182135.1 Ų135.179%0.79178%0.782SS**  cis-173.416025.3-154-167.6176.8-169.60112.9
656A28.5Very low29.8Very low77 Ų77135.6 Ų135.664%0.63678%0.779SS**  trans64.7164.6150.800000119.4
657E27Very low30Very low170 Ų170138.5 Ų138.579%0.79479%0.786SS**  cis-151.3-145.5-15.6-125.9171.990.600113.1
658Q28.9Very low28.9Very low157 Ų157140.6 Ų140.673%0.73479%0.786SS**  trans-105172.9-155.2-51.2177.1-100119.4
659Q27.2Very low29.4Very low169 Ų169138.1 Ų138.179%0.7978%0.779SS**  trans88.296.9147-74.8-172.55.300124.7
660R25.6Very low29.2Very low236 Ų236139.5 Ų139.589%0.89178%0.783SS**  52.9108.1111.4-164-169-155.3-169.28.8122.8
661S22.3Very low29Very low114 Ų114143.7 Ų143.780%0.79778%0.782SS**  trans170.813813041.80000109.2
662R26.1Very low28.9Very low247 Ų247144 Ų14493%0.93278%0.78SS**  92.2131.353.5-151-179-165.2-154.94113.1
663S22.6Very low28.8Very low105 Ų105146.8 Ų146.873%0.73478%0.78SS**  trans-78.6162.3-164.953.80000117.3
664P38.5Very low28Very low128 Ų128144.8 Ų144.883%0.83177%0.769SS**  trans-128.7-168.6133.338.7-28.3000113.6
665S23.4Very low27.9Very low108 Ų108147.5 Ų147.576%0.75577%0.77SS**  trans-152.3154.1-153.655.40000117.1
666Q26.1Very low27.7Very low159 Ų159146.5 Ų146.574%0.74377%0.768SS**  trans69.5155160-110-179.40.400118.2
667P31.1Very low27.6Very low128 Ų128149.2 Ų149.283%0.83178%0.777SS**  -137.4-1546338.8-18.4000116.4
668Q24.4Very low27.5Very low154 Ų154146.8 Ų146.872%0.7278%0.779SS**  trans-132.7-157.6-168.4-40.6177.6-5000112.2
669P40.4Very low27.4Very low100 Ų100149.1 Ų149.165%0.64979%0.787SS**  cis-134.6-168-41.127-3.6000115.1
670V26.7Very low27.4Very low132 Ų132152.2 Ų152.280%0.879%0.791SS**  trans67.3144.6160-94.40000120.1
671K24.9Very low27.4Very low186 Ų186145 Ų14581%0.80978%0.777SS**  cis-137.9146.920.4-73.8-174176.9177.50116.1
672T26.1Very low27.5Very low123 Ų123144.5 Ų144.576%0.75577%0.773SS**  trans39.2129.6130.7-36.30000119.8
673Q27.4Very low27.5Very low170 Ų170141.3 Ų141.379%0.79477%0.774SS**  -167.514966.7-171.9166.1-0.100114.6
674S27.9Very low27.6Very low88 Ų88139.6 Ų139.662%0.61577%0.773SS**  trans37.4115.4162.5-60.20000120.5
675Q29.2Very low27.5Very low165 Ų165140.4 Ų140.477%0.77178%0.775SS**  65.7130.281-83.5-174.4-69.900115.2
676E27.5Very low27.9Very low160 Ų160140.2 Ų140.275%0.74877%0.771SS**  cis-149.1161.3-2.2-166.1158.111600111.7
677T27.1Very low27.7Very low134 Ų134141.6 Ų141.682%0.82278%0.778SS**  trans-133.3148.9-169.755.70000113
678S24.6Very low27.4Very low120 Ų120139.1 Ų139.184%0.83977%0.768SS**  trans-125.1106.9169.3-93.40000111.5
679K26.5Very low27.8Very low206 Ų206141 Ų14190%0.89677%0.774SS**  trans178.8128144.6-104.1160.4-175.3173.90114.2
680R26.9Very low27.1Very low234 Ų234140.7 Ų140.788%0.88377%0.774SS**  118.8133.4123.5-137.9-166.1-177.7161.32.6119.5
681S25.7Very low27.4Very low84 Ų84141.4 Ų141.459%0.58777%0.772SS**  trans63.2103.4141.749.90000121.4
682S25.3Very low28.1Very low104 Ų104138.8 Ų138.873%0.72777%0.774SS**  41.4125.7119.265.50000120.9
683L26.1Very low28.1Very low179 Ų179136 Ų13694%0.93777%0.771SS**  -178.4156.8106.4-97.4166.5000111.6
684G23.5Very low28.3Very low69 Ų69132.5 Ų132.571%0.71177%0.771SS**  trans91.7122.1156.500000117.9
685V36.4Very low28.3Very low146 Ų146135.4 Ų135.489%0.88578%0.775SS**  trans-103131.3159.5168.40000108.3
686P31.5Very low28.3Very low103 Ų103136.2 Ų136.267%0.66978%0.776SS**  trans-146142.5134.635.5-19.9000115.2
687Q23.2Very low28.1Very low189 Ų189133.9 Ų133.988%0.88378%0.777SS**  trans65.8140.8131.9-161.3171.63.600120.1
688A25.2Very low28.8Very low75 Ų75133 Ų13362%0.6277%0.773SS**  cis-170.7148.2-20.500000113.5
689F31.2Very low29Very low195 Ų195132.3 Ų132.386%0.85578%0.775SS**  trans27.8137.3146.6-65.9-77.3000125.4
690S25.8Very low28.9Very low92 Ų92126.3 Ų126.364%0.64377%0.771SS**  -168.6138.8121.7-78.70000110.1
691L33.7Very low29.4Very low147 Ų147125.1 Ų125.177%0.7777%0.773SS**  74143.254.5-81.8166.2000113.8
692P38.6Very low30.1Very low131 Ų131126.2 Ų126.285%0.85178%0.778SS**  cis-120.7-178.645.841.5-30.2000114.6
693G27.9Very low30.3Very low66 Ų66129.9 Ų129.968%0.6878%0.783SS**  cis146.4166.21.500000109.1
694A29.9Very low30.8Very low96 Ų96126.6 Ų126.679%0.79378%0.776SS**  cis-161.3-168.2-12.500000105.9
695Q29.2Very low31.5Very low149 Ų149129.1 Ų129.170%0.69678%0.779SS**  cis-157.7-178.720-55.8174.6-9.100110.1
696K29.3Very low31.4Very low182 Ų182130.8 Ų130.879%0.79178%0.777SS**  trans76.5105.6148.9-77.2160.5178146.10121.7
697S22.4Very low31.5Very low110 Ų110132.2 Ų132.277%0.76979%0.787SS**  trans-69-173.2145-25.50000111.7
698P41.6Very low31.8Very low115 Ų115127.9 Ų127.975%0.74778%0.783SS**  cis-139.4172.81.642-24000117.8
699A28.2Very low32.4Very low107 Ų107135 Ų13588%0.88479%0.794SS**  trans50.8126.7143.400000122.6
700G25.5Very low32.7Very low79 Ų79131.3 Ų131.381%0.81479%0.79SS**  trans163.7123.2157.700000115.4
701F36.4Very low33.1Very low210 Ų210136.2 Ų136.292%0.92180%0.799SS**  trans-79.5163.7147-69.6-92.4000108.1
702P41.7Very low33.2Very low106 Ų106133.2 Ų133.269%0.68880%0.796SS**  cis-134.3-168.17.943.1-25.5000114.5
703H28.7Very low32.8Very low181 Ų181138 Ų13884%0.83880%0.799SS**  trans49.4138.5154.2-79.5-69.6000123.3
704S36.1Very low33.2Very low111 Ų111140.5 Ų140.578%0.77680%0.801SS**  trans-48.2142.1165.6-168.30000113.8
705P39.4Very low33.3Very low121 Ų121144 Ų14479%0.78681%0.805SS**  -143.3-173.595.139.7-24.3000116
706Q34.2Very low33.3Very low181 Ų181140.3 Ų140.385%0.84681%0.807SS**PPolyproline II helixtrans-60.2154.2-172-60.3171-42.700116.2
707P33.3Very low33.3Very low133 Ų133137.7 Ų137.786%0.86481%0.811SS**PPolyproline II helixtrans-76.8140.1167.532.5-34.2000112.6
708A29.8Very low34.3Very low99 Ų99138.4 Ų138.482%0.81882%0.816SS**PPolyproline II helixtrans-93.8161.1177.600000113.4
709R38.8Very low33.9Very low224 Ų224137.8 Ų137.885%0.84581%0.814SS**PPolyproline II helixtrans-93124.6-173.2171.2-174.7-173.6-178.87.4113.6
710P35.8Very low34.5Very low118 Ų118137.8 Ų137.877%0.76682%0.815SS**PPolyproline II helixtrans-81.1164.3155.6-14.732.1000112.4
711K34.4Very low35.2Very low194 Ų194139.3 Ų139.384%0.84381%0.808SS**  trans-109.3159.7-174.5-69.3180-179175.60113
712A35.3Very low35.5Very low85 Ų85135.7 Ų135.770%0.70279%0.794SS**  trans-73.1163.6-171.700000115.5
713Y32Very low35.6Very low232 Ų232135.4 Ų135.491%0.9179%0.79SS**  trans-120.6173.1142.6-92.6-87.8000109.1
714T36.1Very low36.5Very low118 Ų118132.1 Ų132.172%0.72477%0.773SS**  trans-129.6159.3-136.6-36.70000114.4
715I31.6Very low36.9Very low169 Ų169134.6 Ų134.687%0.86778%0.777SS**  trans76.3128.2168.9-42.9175.9000114.4
716G28Very low37.5Very low72 Ų72131 Ų13174%0.74276%0.762SS**  cis154.1132.9-11.700000114.3
717S29.7Very low38.6Very low126 Ų126129.3 Ų129.388%0.88175%0.752SS**  trans-171.9150.5151.7-170.10000108.4
718S44.8Very low40.3Very low125 Ų125128 Ų12887%0.87474%0.737SS**  trans-97118-175.8-630000112.3
719S32.8Very low42.5Very low102 Ų102132.1 Ų132.171%0.71373%0.732SS**  trans-107.2131.7144.656.80000108.1V721S719-V721 PolarHBondContact O-N 3.17Å
720A40.1Very low44.5Very low108 Ų108124.5 Ų124.589%0.89371%0.71SS**  trans-7792.3-179.200000109.5E722A720-E722 VanDerWaalsContact C-N 3.33Å; A720-E722 PolarHBondContact O-N 3.38Å
721V40.8Very low46.7Very low110 Ų110124.4 Ų124.467%0.66770%0.699SS**  trans-70.494.2170.1-173.50000108S719 V723S719-V721 PolarHBondContact O-N 3.17Å; V721-V723 VanDerWaalsContact C-N 3.32Å; V721-V723 HydrophobicContact CB-CG2 4.46Å; V721-V723 HydrophobicContact CG1-CG2 3.78Å; V721-V723 PolarHBondContact O-N 2.79Å
722E42Very low49.2Very low134 Ų134117.8 Ų117.863%0.62668%0.681SS**  trans-66.994.1166.5-167.8-164.3157.200108.2A720 K724A720-E722 VanDerWaalsContact C-N 3.33Å; A720-E722 PolarHBondContact O-N 3.38Å; E722-K724 PolarHBondContact O-N 2.84Å; E722-K724 WeakPolarHBondContact OE1-CD 3.19Å; E722-K724 WeakPolarHBondContact OE1-CE 3.22Å; E722-K724 WeakPolarHBondContact OE1-CG 3.31Å; E722-K724 IonicContact OE1-NZ 3.29Å; E722-K724 PolarHBondContact OE1-NZ 3.4Å
723V43.3Very low51.7Low101 Ų101115.4 Ų115.461%0.61266%0.656SS**  trans-73.568.7178.3-172.40000110V721 L725V721-V723 VanDerWaalsContact C-N 3.32Å; V721-V723 HydrophobicContact CB-CG2 4.46Å; V721-V723 HydrophobicContact CG1-CG2 3.78Å; V721-V723 PolarHBondContact O-N 2.79Å; V723-L725 HydrophobicContact CG1-CB 4.49Å; V723-L725 HydrophobicContact CG1-CD1 3.98Å; V723-L725 HydrophobicContact CG1-CG 3.87Å; V723-L725 PolarHBondContact O-N 3.19Å
724K47.3Very low54.6Low112 Ų112106.8 Ų106.849%0.48763%0.625SS.*  trans-71.683.6166-113.3-173.3179.889.70107.9E722 G726 K727E722-K724 PolarHBondContact O-N 2.84Å; E722-K724 WeakPolarHBondContact OE1-CD 3.19Å; E722-K724 WeakPolarHBondContact OE1-CE 3.22Å; E722-K724 WeakPolarHBondContact OE1-CG 3.31Å; E722-K724 IonicContact OE1-NZ 3.29Å; E722-K724 PolarHBondContact OE1-NZ 3.4Å; K724-G726 PolarHBondContact O-N 2.84Å; K724-K727 HydrophobicContact CD-CD 4.34Å; K724-K727 PolarHBondContact O-N 3.25Å
725L44.3Very low57.3Low162 Ų162106.1 Ų106.185%0.84862%0.617SS**THydrogen-bonded Turntrans-6016.3-167.1-121.4152.7000117V723V723-L725 HydrophobicContact CG1-CB 4.49Å; V723-L725 HydrophobicContact CG1-CD1 3.98Å; V723-L725 HydrophobicContact CG1-CG 3.87Å; V723-L725 PolarHBondContact O-N 3.19Å
726G54Low60.4Low45 Ų45103.5 Ų103.546%0.46460%0.596SS.*THydrogen-bonded Turntrans-125.8-25.8171.100000115.3K724K724-G726 PolarHBondContact O-N 2.84Å
727K57.1Low63.6Low147 Ų147102.9 Ų102.964%0.63957%0.572SS**Hα-helixtrans-67.8-51.7-174.8-78.1-164.6169.4-1660112.3K724 R729 T730 E731K724-K727 HydrophobicContact CD-CD 4.34Å; K724-K727 PolarHBondContact O-N 3.25Å; K727-R729 PolarHBondContact O-N 3.4Å; K727-T730 PolarHBondContact O-N 2.92Å; K727-E731 PolarHBondContact O-N 3.05Å
728N68.3Low66.7Low104 Ų10499.3 Ų99.356%0.55654%0.542SS*.Hα-helixtrans-63.6-16.7-176.4-51.922.8000112.9A732N728-A732 VanDerWaalsContact O-CB 3.27Å; N728-A732 WeakPolarHBondContact O-CB 3.13Å; N728-A732 PolarHBondContact O-N 3.08Å; N728-A732 VanDerWaalsContact O-N 3.11Å
729R76.4Confident69.2Low187 Ų18798.5 Ų98.571%0.70653%0.528SS*.Hα-helixtrans-77-50.7176.5-157-177.392.4-1745.2111K727 E731 A732 D733K727-R729 PolarHBondContact O-N 3.4Å; R729-E731 PolarHBondContact O-N 3.36Å; R729-A732 PolarHBondContact O-N 3.47Å; R729-D733 IonicContact NE-OD2 2.69Å; R729-D733 WeakPolarHBondContact O-CB 3.28Å; R729-D733 VanDerWaalsContact O-CG 3.23Å; R729-D733 PolarHBondContact O-N 3.46Å
730T80.6Confident72.2Confident64 Ų6495.8 Ų95.839%0.39350%0.504SS..Hα-helixtrans-58.4-38.5175.1-50.60000111.5K727 D733 L734 V816K727-T730 PolarHBondContact O-N 2.92Å; T730-D733 PolarHBondContact O-N 2.75Å; T730-L734 WeakPolarHBondContact O-CB 3.5Å; T730-L734 PolarHBondContact O-N 2.89Å; T730-V816 HydrophobicContact CG2-CG1 3.73Å; T730-V816 WeakPolarHBondContact O-CG1 3.23Å
731E82Confident74.9Confident116 Ų11693.7 Ų93.754%0.54247%0.473SS..Hα-helixtrans-66.4-44.6175.1-171.9178.7178.300112.8K727 R729 D733 L734 L735K727-E731 PolarHBondContact O-N 3.05Å; R729-E731 PolarHBondContact O-N 3.36Å; E731-D733 VanDerWaalsContact C-N 3.35Å; E731-L734 WeakPolarHBondContact O-CB 3.36Å; E731-L734 PolarHBondContact O-N 3.35Å; E731-L735 WeakPolarHBondContact O-CG 3.25Å; E731-L735 PolarHBondContact O-N 2.98Å
732A86.8Confident77.6Confident54 Ų5492 Ų9245%0.44646%0.461SS..Hα-helixtrans-68.7-32.1174.900000113N728 R729 R736N728-A732 VanDerWaalsContact O-CB 3.27Å; N728-A732 WeakPolarHBondContact O-CB 3.13Å; N728-A732 PolarHBondContact O-N 3.08Å; N728-A732 VanDerWaalsContact O-N 3.11Å; R729-A732 PolarHBondContact O-N 3.47Å; A732-R736 WeakPolarHBondContact O-CB 3.4Å; A732-R736 PolarHBondContact O-N 3.27Å; A732-R736 VanDerWaalsContact O-N 3.1Å
733D88.6Confident80.2Confident35 Ų3591.3 Ų91.319%0.18745%0.452CS..Hα-helixtrans-65.4-45.4171.5-71.2-37.7000110.6R729 T730 E731 R736 Y737 V816R729-D733 IonicContact NE-OD2 2.69Å; R729-D733 WeakPolarHBondContact O-CB 3.28Å; R729-D733 VanDerWaalsContact O-CG 3.23Å; R729-D733 PolarHBondContact O-N 3.46Å; T730-D733 PolarHBondContact O-N 2.75Å; E731-D733 VanDerWaalsContact C-N 3.35Å; D733-R736 PolarHBondContact O-N 2.68Å; D733-R736 IonicContact OD1-CZ 3.41Å; D733-R736 IonicContact OD1-NH1 3.77Å; D733-R736 PolarHBondContact OD1-NH1 3.46Å; D733-R736 IonicContact OD1-NH2 3.14Å; D733-R736 PolarHBondContact OD1-NH2 3.24Å; D733-Y737 HydrophobicContact CB-CE2 4.41Å; D733-Y737 WeakPolarHBondContact O-CD2 3.29Å; D733-Y737 PolarHBondContact O-N 3.36Å; D733-V816 HydrophobicContact CB-CG1 4.48Å; D733-V816 HydrophobicContact CB-CG2 4.29Å
734L92.1Very high82.8Confident51 Ų5186.5 Ų86.527%0.26742%0.423SS..Hα-helixtrans-58.3-52.3175.9-171.978.4000111.6T730 E731 R736 Y737 I738 L813 V816 E817T730-L734 WeakPolarHBondContact O-CB 3.5Å; T730-L734 PolarHBondContact O-N 2.89Å; E731-L734 WeakPolarHBondContact O-CB 3.36Å; E731-L734 PolarHBondContact O-N 3.35Å; L734-R736 VanDerWaalsContact C-N 3.3Å; L734-R736 PolarHBondContact O-N 3.36Å; L734-Y737 PolarHBondContact O-N 3.37Å; L734-I738 HydrophobicContact CG-CD1 4.15Å; L734-I738 WeakPolarHBondContact O-CG1 2.76Å; L734-I738 PolarHBondContact O-N 2.86Å; L734-L813 HydrophobicContact CD1-CD1 3.62Å; L734-L813 HydrophobicContact CD1-CG 4.42Å; L734-L813 HydrophobicContact CG-CD1 4.28Å; L734-V816 HydrophobicContact CB-CG1 3.8Å; L734-V816 HydrophobicContact CD1-CB 4.44Å; L734-V816 HydrophobicContact CD1-CG1 3.92Å; L734-V816 HydrophobicContact CG-CG1 4.49Å; L734-E817 HydrophobicContact CD1-CG 3.56Å
735L93.5Very high85.1Confident105 Ų10583.7 Ų83.755%0.5541%0.412SS..Hα-helixtrans-60.8-38179.9-71.1171.4000112.2E731 I738 D739E731-L735 WeakPolarHBondContact O-CG 3.25Å; E731-L735 PolarHBondContact O-N 2.98Å; L735-I738 PolarHBondContact O-N 3.07Å; L735-D739 PolarHBondContact O-N 2.99Å
736R95.1Very high87.6Confident114 Ų11482.1 Ų82.143%0.4340%0.398SS..Hα-helixtrans-65-42.7174.8-176.1-176.764.3-106.2-0.1112.1A732 D733 L734 I738 D739 E740A732-R736 WeakPolarHBondContact O-CB 3.4Å; A732-R736 PolarHBondContact O-N 3.27Å; A732-R736 VanDerWaalsContact O-N 3.1Å; D733-R736 PolarHBondContact O-N 2.68Å; D733-R736 IonicContact OD1-CZ 3.41Å; D733-R736 IonicContact OD1-NH1 3.77Å; D733-R736 PolarHBondContact OD1-NH1 3.46Å; D733-R736 IonicContact OD1-NH2 3.14Å; D733-R736 PolarHBondContact OD1-NH2 3.24Å; L734-R736 VanDerWaalsContact C-N 3.3Å; L734-R736 PolarHBondContact O-N 3.36Å; R736-I738 VanDerWaalsContact C-N 3.29Å; R736-I738 PolarHBondContact O-N 3.41Å; R736-D739 PolarHBondContact O-N 3.18Å; R736-E740 VanDerWaalsContact O-CB 3.22Å; R736-E740 WeakPolarHBondContact O-CB 3.48Å; R736-E740 PolarHBondContact O-N 2.84Å
737Y95.9Very high89.6Confident59 Ų5983.3 Ų83.323%0.23139%0.391CS..Hα-helixtrans-70.1-25.5177.2-69-58.2000112.8D733 L734 R741 V809 V816D733-Y737 HydrophobicContact CB-CE2 4.41Å; D733-Y737 WeakPolarHBondContact O-CD2 3.29Å; D733-Y737 PolarHBondContact O-N 3.36Å; L734-Y737 PolarHBondContact O-N 3.37Å; Y737-R741 WeakPolarHBondContact O-CB 3.46Å; Y737-R741 PolarHBondContact O-N 2.92Å; Y737-V809 HydrophobicContact CD1-CG1 4.24Å; Y737-V809 VanDerWaalsContact O-CG1 3.3Å; Y737-V809 WeakPolarHBondContact O-CG1 3.27Å; Y737-V816 HydrophobicContact CD2-CG2 4Å; Y737-V816 HydrophobicContact CE2-CG2 3.89Å
738I94.1Very high91.5Very high50 Ų5079 Ų7926%0.25637%0.371SS..Hα-helixtrans-68.5-51.4170.5-69.9167.6000111L734 L735 R736 E740 R741 D742 L813L734-I738 HydrophobicContact CG-CD1 4.15Å; L734-I738 WeakPolarHBondContact O-CG1 2.76Å; L734-I738 PolarHBondContact O-N 2.86Å; L735-I738 PolarHBondContact O-N 3.07Å; R736-I738 VanDerWaalsContact C-N 3.29Å; R736-I738 PolarHBondContact O-N 3.41Å; I738-E740 PolarHBondContact O-N 3.47Å; I738-R741 WeakPolarHBondContact O-CB 3.44Å; I738-R741 PolarHBondContact O-N 3.29Å; I738-D742 PolarHBondContact O-N 3.42Å; I738-L813 HydrophobicContact CD1-CD1 4.5Å; I738-L813 HydrophobicContact CG1-CD1 3.77Å
739D97Very high92.9Very high108 Ų10878.5 Ų78.558%0.57837%0.365SS*.Hα-helixtrans-61.9-43.1178.1-17873.6000112.2L735 R736 R741 D742 R743L735-D739 PolarHBondContact O-N 2.99Å; R736-D739 PolarHBondContact O-N 3.18Å; D739-R741 PolarHBondContact O-N 3.31Å; D739-D742 PolarHBondContact O-N 3.45Å; D739-R743 WeakPolarHBondContact O-CB 3.43Å; D739-R743 PolarHBondContact O-N 2.95Å
740E96.4Very high93.9Very high45 Ų4574.5 Ų74.521%0.2136%0.355CS..Hα-helixtrans-60.9-44.5174.8-177.368.1-144.700111.8R736 I738 R743 L744 V809R736-E740 VanDerWaalsContact O-CB 3.22Å; R736-E740 WeakPolarHBondContact O-CB 3.48Å; R736-E740 PolarHBondContact O-N 2.84Å; I738-E740 PolarHBondContact O-N 3.47Å; E740-R743 PolarHBondContact O-N 3.43Å; E740-R743 IonicContact OE1-CZ 3.63Å; E740-R743 IonicContact OE1-NH1 2.57Å; E740-R743 IonicContact OE1-NH2 2.77Å; E740-R743 PolarHBondContact OE1-NH2 2.89Å; E740-R743 IonicContact OE2-CZ 2.65Å; E740-R743 IonicContact OE2-NH1 2.77Å; E740-R743 PolarHBondContact OE2-NH1 2.96Å; E740-R743 IonicContact OE2-NH2 3.48Å; E740-R743 PolarHBondContact OE2-NH2 2.68Å; E740-L744 HydrophobicContact CG-CD1 4.11Å; E740-L744 WeakPolarHBondContact O-CB 3.3Å; E740-L744 VanDerWaalsContact O-CG 3.28Å; E740-L744 WeakPolarHBondContact O-CG 3.16Å; E740-L744 PolarHBondContact O-N 3.45Å; E740-V809 HydrophobicContact CB-CG1 4.19Å; E740-V809 HydrophobicContact CG-CB 4.47Å; E740-V809 HydrophobicContact CG-CG1 4.06Å; E740-V809 HydrophobicContact CG-CG2 3.57Å
741R96.8Very high94.6Very high65 Ų6572.1 Ų72.125%0.24534%0.34CS..Hα-helixtrans-58.6-50.1174.7178.9-159.669.5-152-1.4110.5Y737 I738 D739 R743 L744 E745 V809 K810Y737-R741 WeakPolarHBondContact O-CB 3.46Å; Y737-R741 PolarHBondContact O-N 2.92Å; I738-R741 WeakPolarHBondContact O-CB 3.44Å; I738-R741 PolarHBondContact O-N 3.29Å; D739-R741 PolarHBondContact O-N 3.31Å; R741-R743 VanDerWaalsContact C-N 3.31Å; R741-R743 PolarHBondContact O-N 3.29Å; R741-L744 CarbonylContact O-C 3.55Å; R741-L744 PolarHBondContact O-N 3.37Å; R741-L744 VanDerWaalsContact O-N 3.17Å; R741-E745 HydrophobicContact CG-CG 4.08Å; R741-E745 WeakPolarHBondContact O-CB 3.36Å; R741-E745 WeakPolarHBondContact O-CG 3.36Å; R741-E745 PolarHBondContact O-N 3.46Å; R741-V809 HydrophobicContact CB-CG1 3.95Å; R741-K810 HydrophobicContact CG-CG 4.41Å
742D97.1Very high95.3Very high75 Ų7572.1 Ų72.140%0.40134%0.335SS..Hα-helixtrans-69.9-31.1-174.1-67.4-15.1000111.7I738 D739 K746I738-D742 PolarHBondContact O-N 3.42Å; D739-D742 PolarHBondContact O-N 3.45Å; D742-K746 PolarHBondContact O-N 3.44Å; D742-K746 VanDerWaalsContact O-N 3.16Å
743R97.9Very high95.8Very high119 Ų11972.5 Ų72.545%0.44933%0.334SS..Hα-helixtrans-64.1-46.1168.6-163.3-179.379.2-119.9-2.9112D739 E740 R741 K746 E747D739-R743 WeakPolarHBondContact O-CB 3.43Å; D739-R743 PolarHBondContact O-N 2.95Å; E740-R743 PolarHBondContact O-N 3.43Å; E740-R743 IonicContact OE1-CZ 3.63Å; E740-R743 IonicContact OE1-NH1 2.57Å; E740-R743 IonicContact OE1-NH2 2.77Å; E740-R743 PolarHBondContact OE1-NH2 2.89Å; E740-R743 IonicContact OE2-CZ 2.65Å; E740-R743 IonicContact OE2-NH1 2.77Å; E740-R743 PolarHBondContact OE2-NH1 2.96Å; E740-R743 IonicContact OE2-NH2 3.48Å; E740-R743 PolarHBondContact OE2-NH2 2.68Å; R741-R743 VanDerWaalsContact C-N 3.31Å; R741-R743 PolarHBondContact O-N 3.29Å; R743-K746 PolarHBondContact O-N 3.41Å; R743-E747 PolarHBondContact O-N 2.94Å
744L97.3Very high96.1Very high0 Ų073.2 Ų73.20%034%0.343CS..Hα-helixtrans-68.6-35.1177.5-69.4165.8000112.4E740 R741 K746 E747 R748 V802 R805 L806 V809E740-L744 HydrophobicContact CG-CD1 4.11Å; E740-L744 WeakPolarHBondContact O-CB 3.3Å; E740-L744 VanDerWaalsContact O-CG 3.28Å; E740-L744 WeakPolarHBondContact O-CG 3.16Å; E740-L744 PolarHBondContact O-N 3.45Å; R741-L744 CarbonylContact O-C 3.55Å; R741-L744 PolarHBondContact O-N 3.37Å; R741-L744 VanDerWaalsContact O-N 3.17Å; L744-K746 VanDerWaalsContact C-N 3.26Å; L744-K746 PolarHBondContact O-N 2.83Å; L744-E747 PolarHBondContact O-N 2.89Å; L744-R748 VanDerWaalsContact O-CB 3.25Å; L744-R748 WeakPolarHBondContact O-CB 3.39Å; L744-R748 PolarHBondContact O-N 2.98Å; L744-V802 HydrophobicContact CB-CG1 4.37Å; L744-V802 HydrophobicContact CD2-CG1 4.2Å; L744-V802 WeakPolarHBondContact O-CG1 3.27Å; L744-R805 HydrophobicContact CD1-CB 3.78Å; L744-R805 HydrophobicContact CD2-CB 3.97Å; L744-L806 HydrophobicContact CB-CB 4.34Å; L744-L806 HydrophobicContact CB-CD1 4.4Å; L744-V809 HydrophobicContact CD1-CB 4.41Å; L744-V809 HydrophobicContact CD1-CG2 3.91Å
745E94.8Very high96.3Very high53 Ų5371.4 Ų71.425%0.24833%0.333CS..Hα-helixtrans-63.2-33.4174.4-67.9-112.3170.500111.7R741 R748 E749 L806R741-E745 HydrophobicContact CG-CG 4.08Å; R741-E745 WeakPolarHBondContact O-CB 3.36Å; R741-E745 WeakPolarHBondContact O-CG 3.36Å; R741-E745 PolarHBondContact O-N 3.46Å; E745-R748 VanDerWaalsContact CD-NH1 3.25Å; E745-R748 PolarHBondContact O-NE 3.44Å; E745-R748 PolarHBondContact O-NH2 3.12Å; E745-R748 IonicContact OE1-NH1 3.32Å; E745-R748 IonicContact OE2-CZ 2.84Å; E745-R748 IonicContact OE2-NH1 2.71Å; E745-R748 PolarHBondContact OE2-NH1 3.08Å; E745-R748 IonicContact OE2-NH2 2.65Å; E745-R748 PolarHBondContact OE2-NH2 3.47Å; E745-E749 PolarHBondContact O-N 3.21Å; E745-L806 HydrophobicContact CG-CD1 3.97Å
746K97.8Very high96.5Very high128 Ų12869.1 Ų69.156%0.55733%0.329SS*.Hα-helixtrans-75.5-45.2172.4-179.8173.1178.4-71.20112.4D742 R743 L744 R748 E749 E750D742-K746 PolarHBondContact O-N 3.44Å; D742-K746 VanDerWaalsContact O-N 3.16Å; R743-K746 PolarHBondContact O-N 3.41Å; L744-K746 VanDerWaalsContact C-N 3.26Å; L744-K746 PolarHBondContact O-N 2.83Å; K746-R748 VanDerWaalsContact C-N 3.27Å; K746-R748 PolarHBondContact O-N 3.17Å; K746-E749 WeakPolarHBondContact O-CA 3.38Å; K746-E749 WeakPolarHBondContact O-CB 3.37Å; K746-E749 PolarHBondContact O-N 2.86Å; K746-E750 IonicContact NZ-OE1 2.64Å; K746-E750 PolarHBondContact NZ-OE1 2.89Å; K746-E750 PolarHBondContact O-N 3.08Å
747E96.5Very high96.5Very high70 Ų7068 Ų6833%0.32733%0.332SS..Hα-helixtrans-59.9-38.7175.9-167177.7171.500111.5R743 L744 E749 E750 V751 V802R743-E747 PolarHBondContact O-N 2.94Å; L744-E747 PolarHBondContact O-N 2.89Å; E747-E749 VanDerWaalsContact C-N 3.29Å; E747-E749 PolarHBondContact O-N 2.8Å; E747-E750 PolarHBondContact O-N 2.67Å; E747-V751 WeakPolarHBondContact O-CB 3.37Å; E747-V751 WeakPolarHBondContact O-CG2 3.38Å; E747-V751 PolarHBondContact O-N 3.07Å; E747-V802 HydrophobicContact CB-CG1 4.29Å; E747-V802 HydrophobicContact CB-CG2 4.36Å; E747-V802 HydrophobicContact CG-CG2 3.82Å
748R97Very high96.5Very high56 Ų5666.1 Ų66.121%0.21133%0.326CS..Hα-helixtrans-58.1-37.3171.7176.8-160.363.3-162.1-10.2112.7L744 E745 K746 R752 V802L744-R748 VanDerWaalsContact O-CB 3.25Å; L744-R748 WeakPolarHBondContact O-CB 3.39Å; L744-R748 PolarHBondContact O-N 2.98Å; E745-R748 VanDerWaalsContact CD-NH1 3.25Å; E745-R748 PolarHBondContact O-NE 3.44Å; E745-R748 PolarHBondContact O-NH2 3.12Å; E745-R748 IonicContact OE1-NH1 3.32Å; E745-R748 IonicContact OE2-CZ 2.84Å; E745-R748 IonicContact OE2-NH1 2.71Å; E745-R748 PolarHBondContact OE2-NH1 3.08Å; E745-R748 IonicContact OE2-NH2 2.65Å; E745-R748 PolarHBondContact OE2-NH2 3.47Å; K746-R748 VanDerWaalsContact C-N 3.27Å; K746-R748 PolarHBondContact O-N 3.17Å; R748-R752 WeakPolarHBondContact O-CB 3.41Å; R748-R752 PolarHBondContact O-N 3.3Å; R748-V802 HydrophobicContact CB-CG1 3.89Å
749E96.9Very high96.6Very high94 Ų9469.7 Ų69.744%0.43934%0.339SS..Hα-helixtrans-71.4-44.1176-163.462.7-111.600111.3E745 K746 E747 V751 R752 S753E745-E749 PolarHBondContact O-N 3.21Å; K746-E749 WeakPolarHBondContact O-CA 3.38Å; K746-E749 WeakPolarHBondContact O-CB 3.37Å; K746-E749 PolarHBondContact O-N 2.86Å; E747-E749 VanDerWaalsContact C-N 3.29Å; E747-E749 PolarHBondContact O-N 2.8Å; E749-V751 PolarHBondContact O-N 3.24Å; E749-R752 PolarHBondContact O-N 3.14Å; E749-R752 IonicContact OE1-CZ 3.2Å; E749-R752 IonicContact OE1-NH1 3.66Å; E749-R752 PolarHBondContact OE1-NH1 3.13Å; E749-R752 IonicContact OE2-CZ 2.77Å; E749-R752 IonicContact OE2-NH1 3.66Å; E749-R752 PolarHBondContact OE2-NH1 3.27Å; E749-S753 WeakPolarHBondContact O-CB 3.37Å; E749-S753 PolarHBondContact O-N 3.32Å
750E97Very high96.6Very high103 Ų10370.1 Ų70.148%0.48134%0.336SS..Hα-helixtrans-61.3-42.4176.5-69.6174.2-169.700111.7K746 E747 S753 S754K746-E750 IonicContact NZ-OE1 2.64Å; K746-E750 PolarHBondContact NZ-OE1 2.89Å; K746-E750 PolarHBondContact O-N 3.08Å; E747-E750 PolarHBondContact O-N 2.67Å; E750-S753 PolarHBondContact O-N 2.91Å; E750-S754 VanDerWaalsContact O-CB 3.29Å; E750-S754 WeakPolarHBondContact O-CB 3.37Å; E750-S754 PolarHBondContact O-N 3.5Å
751V96.9Very high96.5Very high14 Ų1471.3 Ų71.39%0.08534%0.342CS..Hα-helixtrans-65.9-39.1173.7172.70000111.7E747 E749 S754 L755 A795 R798 R799E747-V751 WeakPolarHBondContact O-CB 3.37Å; E747-V751 WeakPolarHBondContact O-CG2 3.38Å; E747-V751 PolarHBondContact O-N 3.07Å; E749-V751 PolarHBondContact O-N 3.24Å; V751-S754 PolarHBondContact O-N 3.06Å; V751-L755 HydrophobicContact CG1-CD1 4.05Å; V751-L755 WeakPolarHBondContact O-CB 3.3Å; V751-L755 WeakPolarHBondContact O-CG 3.45Å; V751-L755 PolarHBondContact O-N 2.8Å; V751-A795 WeakPolarHBondContact CG1-O 3.37Å; V751-R798 HydrophobicContact CG2-CB 4.26Å; V751-R799 HydrophobicContact CG1-CB 3.7Å; V751-R799 HydrophobicContact CG1-CG 4.02Å
752R95.4Very high96.4Very high116 Ų11671.5 Ų71.544%0.43834%0.344SS..Hα-helixtrans-64-44.9176-168.7-175.3-57.3118.10.7111.7R748 E749 L755 A756R748-R752 WeakPolarHBondContact O-CB 3.41Å; R748-R752 PolarHBondContact O-N 3.3Å; E749-R752 PolarHBondContact O-N 3.14Å; E749-R752 IonicContact OE1-CZ 3.2Å; E749-R752 IonicContact OE1-NH1 3.66Å; E749-R752 PolarHBondContact OE1-NH1 3.13Å; E749-R752 IonicContact OE2-CZ 2.77Å; E749-R752 IonicContact OE2-NH1 3.66Å; E749-R752 PolarHBondContact OE2-NH1 3.27Å; R752-L755 PolarHBondContact O-N 3.41Å; R752-A756 PolarHBondContact O-N 3.05Å
753S96.9Very high96.4Very high62 Ų6276.5 Ų76.543%0.43436%0.358SS..Hα-helixtrans-62.1-43.9174.4-177.50000111.5E749 E750 L755 A756 N757E749-S753 WeakPolarHBondContact O-CB 3.37Å; E749-S753 PolarHBondContact O-N 3.32Å; E750-S753 PolarHBondContact O-N 2.91Å; S753-L755 PolarHBondContact O-N 2.7Å; S753-A756 PolarHBondContact O-N 3.04Å; S753-N757 PolarHBondContact O-N 3.49Å; S753-N757 PolarHBondContact O-ND2 3.04Å
754S96.6Very high96.3Very high51 Ų5174.7 Ų74.736%0.35735%0.354SS..Hα-helixtrans-59.1-46.2174.3-173.40000112.1E750 V751 A756 N757 L758E750-S754 VanDerWaalsContact O-CB 3.29Å; E750-S754 WeakPolarHBondContact O-CB 3.37Å; E750-S754 PolarHBondContact O-N 3.5Å; V751-S754 PolarHBondContact O-N 3.06Å; S754-A756 PolarHBondContact O-N 2.76Å; S754-N757 PolarHBondContact O-N 3.04Å; S754-L758 WeakPolarHBondContact O-CB 3.34Å; S754-L758 VanDerWaalsContact O-CG 3.26Å; S754-L758 WeakPolarHBondContact O-CG 3.29Å; S754-L758 PolarHBondContact O-N 2.84Å
755L96.3Very high96.2Very high12 Ų1275.2 Ų75.26%0.06336%0.357CS..Hα-helixtrans-62.7-38.3176.3-83.2167.1000113V751 R752 S753 K759 A795 E796 R799V751-L755 HydrophobicContact CG1-CD1 4.05Å; V751-L755 WeakPolarHBondContact O-CB 3.3Å; V751-L755 WeakPolarHBondContact O-CG 3.45Å; V751-L755 PolarHBondContact O-N 2.8Å; R752-L755 PolarHBondContact O-N 3.41Å; S753-L755 PolarHBondContact O-N 2.7Å; L755-K759 VanDerWaalsContact O-CB 3.29Å; L755-K759 WeakPolarHBondContact O-CB 3.46Å; L755-K759 WeakPolarHBondContact O-CD 3.03Å; L755-K759 WeakPolarHBondContact O-CG 3.39Å; L755-K759 PolarHBondContact O-N 2.68Å; L755-A795 HydrophobicContact CD2-CB 3.73Å; L755-A795 HydrophobicContact CG-CB 3.86Å; L755-E796 WeakPolarHBondContact CD1-OE2 3.23Å; L755-E796 HydrophobicContact CD2-CB 4.29Å; L755-R799 HydrophobicContact CD1-CB 4.2Å; L755-R799 HydrophobicContact CD1-CG 4.33Å
756A95.9Very high96.3Very high58 Ų5879.1 Ų79.148%0.47937%0.374SS..Hα-helixtrans-64.7-47.8175.400000111.3R752 S753 S754 K759 K760R752-A756 PolarHBondContact O-N 3.05Å; S753-A756 PolarHBondContact O-N 3.04Å; S754-A756 PolarHBondContact O-N 2.76Å; A756-K759 PolarHBondContact O-N 3.33Å; A756-K760 PolarHBondContact O-N 3.46Å
757N96.5Very high96.2Very high89 Ų8979.1 Ų79.148%0.47638%0.376SS..Hα-helixtrans-63.2-46.6177.9-70.8-41000111.9S753 S754 K759 K760 E761S753-N757 PolarHBondContact O-N 3.49Å; S753-N757 PolarHBondContact O-ND2 3.04Å; S754-N757 PolarHBondContact O-N 3.04Å; N757-K759 VanDerWaalsContact C-N 3.32Å; N757-K759 PolarHBondContact O-N 2.91Å; N757-K760 WeakPolarHBondContact O-CA 3.22Å; N757-K760 WeakPolarHBondContact O-CB 3.21Å; N757-K760 PolarHBondContact O-N 2.81Å; N757-K760 VanDerWaalsContact O-N 3.08Å; N757-E761 WeakPolarHBondContact O-CG 3.13Å; N757-E761 PolarHBondContact O-N 3.37Å
758L96.1Very high96.1Very high20 Ų2081 Ų8111%0.10538%0.384CS..Hα-helixtrans-63.1-35.5177.6-72.1168.3000112.5S754 K762 K788 A791 A795S754-L758 WeakPolarHBondContact O-CB 3.34Å; S754-L758 VanDerWaalsContact O-CG 3.26Å; S754-L758 WeakPolarHBondContact O-CG 3.29Å; S754-L758 PolarHBondContact O-N 2.84Å; L758-K762 WeakPolarHBondContact O-CB 3.48Å; L758-K762 PolarHBondContact O-N 2.65Å; L758-K788 HydrophobicContact CD2-CD 4.46Å; L758-A791 HydrophobicContact CD1-CB 4.15Å; L758-A791 HydrophobicContact CD2-CB 3.69Å; L758-A795 HydrophobicContact CD1-CB 3.8Å
759K94.6Very high96Very high125 Ų12579.8 Ų79.854%0.54338%0.382SS..Hα-helixtrans-69.4-32.4173.2-75.4170.6-176.6175.80112.5L755 A756 N757 R763L755-K759 VanDerWaalsContact O-CB 3.29Å; L755-K759 WeakPolarHBondContact O-CB 3.46Å; L755-K759 WeakPolarHBondContact O-CD 3.03Å; L755-K759 WeakPolarHBondContact O-CG 3.39Å; L755-K759 PolarHBondContact O-N 2.68Å; A756-K759 PolarHBondContact O-N 3.33Å; N757-K759 VanDerWaalsContact C-N 3.32Å; N757-K759 PolarHBondContact O-N 2.91Å; K759-R763 PolarHBondContact O-N 3.47Å
760K97Very high95.7Very high118 Ų11880 Ų8051%0.51339%0.393SS..Hα-helixtrans-68.3-55.5172177.2-177.4165179.40110.8A756 N757 K762 R763 E764A756-K760 PolarHBondContact O-N 3.46Å; N757-K760 WeakPolarHBondContact O-CA 3.22Å; N757-K760 WeakPolarHBondContact O-CB 3.21Å; N757-K760 PolarHBondContact O-N 2.81Å; N757-K760 VanDerWaalsContact O-N 3.08Å; K760-K762 VanDerWaalsContact C-N 3.26Å; K760-K762 PolarHBondContact O-N 3.45Å; K760-R763 WeakPolarHBondContact O-CA 3.26Å; K760-R763 VanDerWaalsContact O-CB 3.26Å; K760-R763 WeakPolarHBondContact O-CB 3.26Å; K760-R763 PolarHBondContact O-N 3.35Å; K760-E764 WeakPolarHBondContact CE-OE1 3.34Å; K760-E764 IonicContact NZ-OE1 2.7Å; K760-E764 PolarHBondContact O-N 3.04Å
761E95Very high95.6Very high70 Ų7078.7 Ų78.733%0.32740%0.401SS..Hα-helixtrans-56.9-40178.2-67.2-177.3117.200111.9N757 R763 E764 T765 K788N757-E761 WeakPolarHBondContact O-CG 3.13Å; N757-E761 PolarHBondContact O-N 3.37Å; E761-R763 VanDerWaalsContact C-N 3.27Å; E761-R763 PolarHBondContact O-N 3.02Å; E761-E764 WeakPolarHBondContact CA-OE2 3.49Å; E761-E764 PolarHBondContact O-N 3.17Å; E761-T765 PolarHBondContact O-N 3.49Å; E761-T765 PolarHBondContact O-OG1 3.35Å; E761-K788 HydrophobicContact CB-CD 4.19Å; E761-K788 IonicContact OE1-NZ 3.54Å; E761-K788 PolarHBondContact OE1-NZ 3.24Å; E761-K788 WeakPolarHBondContact OE2-CE 3.26Å; E761-K788 IonicContact OE2-NZ 3.66Å; E761-K788 PolarHBondContact OE2-NZ 3.31Å
762K95.8Very high95.3Very high68 Ų6879.1 Ų79.130%0.29640%0.404SS..Hα-helixtrans-58.5-37.7173.5179-178.4177.2171.40112.4L758 K760 K766 L785 E789L758-K762 WeakPolarHBondContact O-CB 3.48Å; L758-K762 PolarHBondContact O-N 2.65Å; K760-K762 VanDerWaalsContact C-N 3.26Å; K760-K762 PolarHBondContact O-N 3.45Å; K762-K766 VanDerWaalsContact O-CB 3.25Å; K762-K766 WeakPolarHBondContact O-CB 3.38Å; K762-K766 PolarHBondContact O-N 2.93Å; K762-L785 HydrophobicContact CG-CD1 3.79Å; K762-L785 WeakPolarHBondContact O-CD1 3.39Å; K762-E789 HydrophobicContact CD-CG 3.93Å; K762-E789 WeakPolarHBondContact CE-OE1 3.18Å; K762-E789 HydrophobicContact CG-CG 4.45Å; K762-E789 IonicContact NZ-OE1 2.67Å; K762-E789 PolarHBondContact NZ-OE1 3.21Å
763R95.9Very high95.1Very high181 Ų18182.4 Ų82.468%0.68342%0.424SS*.Hα-helixtrans-68-49.1176.5-171.1-169.2-59.7178.50.4109.9K759 K760 E761 K766 E767K759-R763 PolarHBondContact O-N 3.47Å; K760-R763 WeakPolarHBondContact O-CA 3.26Å; K760-R763 VanDerWaalsContact O-CB 3.26Å; K760-R763 WeakPolarHBondContact O-CB 3.26Å; K760-R763 PolarHBondContact O-N 3.35Å; E761-R763 VanDerWaalsContact C-N 3.27Å; E761-R763 PolarHBondContact O-N 3.02Å; R763-K766 WeakPolarHBondContact O-CB 3.42Å; R763-K766 PolarHBondContact O-N 3.27Å; R763-K766 VanDerWaalsContact O-N 3.15Å; R763-E767 WeakPolarHBondContact O-CB 3.35Å; R763-E767 PolarHBondContact O-N 3.17Å
764E96.1Very high95Very high81 Ų8182.4 Ų82.438%0.37942%0.419SS..Hα-helixtrans-60.1-50.8-179-66.8166.6149.700111.3K760 E761 K766 E767 E768K760-E764 WeakPolarHBondContact CE-OE1 3.34Å; K760-E764 IonicContact NZ-OE1 2.7Å; K760-E764 PolarHBondContact O-N 3.04Å; E761-E764 WeakPolarHBondContact CA-OE2 3.49Å; E761-E764 PolarHBondContact O-N 3.17Å; E764-K766 VanDerWaalsContact C-N 3.27Å; E764-K766 PolarHBondContact O-N 2.8Å; E764-E767 WeakPolarHBondContact O-CB 3.47Å; E764-E767 PolarHBondContact O-N 3.01Å; E764-E767 VanDerWaalsContact O-N 3.09Å; E764-E768 WeakPolarHBondContact O-CG 3.25Å; E764-E768 PolarHBondContact O-N 3.5Å
765T94.9Very high94.7Very high11 Ų1184.3 Ų84.37%0.06743%0.431CS..Hα-helixtrans-63.8-30176-52.40000112.8E761 L769 L781 C784 L785E761-T765 PolarHBondContact O-N 3.49Å; E761-T765 PolarHBondContact O-OG1 3.35Å; T765-L769 WeakPolarHBondContact O-CB 3.27Å; T765-L769 PolarHBondContact O-N 2.99Å; T765-L781 HydrophobicContact CG2-CD2 4.21Å; T765-C784 HydrophobicContact CG2-CB 3.96Å; T765-L785 HydrophobicContact CG2-CB 4.04Å
766K96.1Very high94.5Very high135 Ų13592.1 Ų92.159%0.58746%0.464SS*.Hα-helixtrans-72.5-35173.9-175.2-175.3174.7-168.70111.9K762 R763 E764 S770 L785K762-K766 VanDerWaalsContact O-CB 3.25Å; K762-K766 WeakPolarHBondContact O-CB 3.38Å; K762-K766 PolarHBondContact O-N 2.93Å; R763-K766 WeakPolarHBondContact O-CB 3.42Å; R763-K766 PolarHBondContact O-N 3.27Å; R763-K766 VanDerWaalsContact O-N 3.15Å; E764-K766 VanDerWaalsContact C-N 3.27Å; E764-K766 PolarHBondContact O-N 2.8Å; K766-S770 PolarHBondContact O-N 2.9Å; K766-S770 VanDerWaalsContact O-N 3.14Å; K766-L785 HydrophobicContact CB-CD1 4.12Å; K766-L785 HydrophobicContact CB-CD2 4.32Å; K766-L785 HydrophobicContact CG-CD2 4.47Å
767E96.1Very high94.4Very high128 Ų12894.2 Ų94.260%0.59846%0.464SS*.Hα-helixtrans-68.6-48.6175.5-167.8170.3160.400110.5R763 E764 L769 S770 A771R763-E767 WeakPolarHBondContact O-CB 3.35Å; R763-E767 PolarHBondContact O-N 3.17Å; E764-E767 WeakPolarHBondContact O-CB 3.47Å; E764-E767 PolarHBondContact O-N 3.01Å; E764-E767 VanDerWaalsContact O-N 3.09Å; E767-L769 VanDerWaalsContact C-N 3.31Å; E767-L769 PolarHBondContact O-N 3.43Å; E767-S770 CarbonylContact O-C 3.57Å; E767-S770 WeakPolarHBondContact O-CA 3.46Å; E767-S770 PolarHBondContact O-N 3.16Å; E767-S770 PolarHBondContact O-OG 3.31Å; E767-A771 PolarHBondContact O-N 3.46Å
768E94.9Very high94.2Very high108 Ų10894.1 Ų94.151%0.50546%0.46SS..Hα-helixtrans-53.3-45.5170-70.6177.9163.700112E764 S770 A771 C772 L781E764-E768 WeakPolarHBondContact O-CG 3.25Å; E764-E768 PolarHBondContact O-N 3.5Å; E768-S770 PolarHBondContact O-N 2.95Å; E768-A771 PolarHBondContact O-N 2.92Å; E768-C772 VanDerWaalsContact O-CB 3.26Å; E768-C772 WeakPolarHBondContact O-CB 3.43Å; E768-C772 PolarHBondContact O-N 3Å; E768-L781 HydrophobicContact CB-CD1 4.15Å; E768-L781 HydrophobicContact CB-CD2 4.03Å; E768-L781 WeakPolarHBondContact OE2-CD2 3.34Å
769L94.6Very high94.1Very high32 Ų3295.8 Ų95.817%0.16848%0.477CS..Hα-helixtrans-62-27.6176.9-177.866.1000113T765 E767 Q778 L781 E782 L785T765-L769 WeakPolarHBondContact O-CB 3.27Å; T765-L769 PolarHBondContact O-N 2.99Å; E767-L769 VanDerWaalsContact C-N 3.31Å; E767-L769 PolarHBondContact O-N 3.43Å; L769-Q778 HydrophobicContact CD1-CB 4.42Å; L769-Q778 HydrophobicContact CD1-CG 3.59Å; L769-Q778 VanDerWaalsContact CD1-O 3.25Å; L769-Q778 WeakPolarHBondContact CD1-O 3.26Å; L769-L781 HydrophobicContact CB-CB 4.2Å; L769-L781 HydrophobicContact CD1-CB 3.75Å; L769-E782 HydrophobicContact CD1-CB 4.25Å; L769-L785 HydrophobicContact CD2-CD2 3.69Å
770S91.8Very high94.1Very high97 Ų9796.8 Ų96.868%0.67848%0.484SS*.Hα-helixtrans-87.7-26.1176.6720000113.9K766 E767 E768K766-S770 PolarHBondContact O-N 2.9Å; K766-S770 VanDerWaalsContact O-N 3.14Å; E767-S770 CarbonylContact O-C 3.57Å; E767-S770 WeakPolarHBondContact O-CA 3.46Å; E767-S770 PolarHBondContact O-N 3.16Å; E767-S770 PolarHBondContact O-OG 3.31Å; E768-S770 PolarHBondContact O-N 2.95Å
771A93.3Very high94Very high77 Ų7792.7 Ų92.764%0.63647%0.467SS*.Hα-helixtrans-83.1-25.2174.800000112.8E767 E768E767-A771 PolarHBondContact O-N 3.46Å; E768-A771 PolarHBondContact O-N 2.92Å
772C91.7Very high94Very high22 Ų2295.3 Ų95.315%0.14948%0.48CS..  trans-74.6132.8-177.9-169.70000113E768 Q777 L781E768-C772 VanDerWaalsContact O-CB 3.26Å; E768-C772 WeakPolarHBondContact O-CB 3.43Å; E768-C772 PolarHBondContact O-N 3Å; C772-Q777 WeakPolarHBondContact SG-CB 3.37Å; C772-L781 HydrophobicContact CB-CD1 3.83Å
773Q90.5Very high94Very high186 Ų18694.9 Ų94.987%0.86949%0.489SS*.  trans-113.7-2177.5-59.5-175.212.400114.2P775Q773-P775 WeakPolarHBondContact O-CD 3.32Å
774D94.5Very high94Very high61 Ų6188.3 Ų88.333%0.32647%0.47SS..  trans-89.9115.4174.7171.44.5000109.8K776 Q777 Q778D774-K776 PolarHBondContact O-N 3.32Å; D774-K776 WeakPolarHBondContact OD1-CB 3.29Å; D774-K776 PolarHBondContact OD1-N 3.49Å; D774-Q777 HydrophobicContact CB-CB 4.13Å; D774-Q777 HydrophobicContact CB-CG 4.2Å; D774-Q777 PolarHBondContact O-N 3.19Å; D774-Q777 WeakPolarHBondContact OD2-CG 3.41Å; D774-Q777 PolarHBondContact OD2-NE2 3Å; D774-Q778 WeakPolarHBondContact O-CB 3.46Å; D774-Q778 PolarHBondContact O-N 2.73Å
775P91.3Very high94Very high92 Ų9285.5 Ų85.560%0.59746%0.458SS*.Hα-helixtrans-56.2-26.1-179-27.235.9000114.8Q773 A779Q773-P775 WeakPolarHBondContact O-CD 3.32Å; P775-A779 WeakPolarHBondContact O-CB 3.27Å; P775-A779 PolarHBondContact O-N 3.4Å; P775-A779 VanDerWaalsContact O-N 3.1Å
776K92.7Very high94.1Very high175 Ų17591.7 Ų91.776%0.76148%0.484SS*.Hα-helixtrans-75.4-40.2177.4-67.8179.6178.7174.70112.1D774 Q780D774-K776 PolarHBondContact O-N 3.32Å; D774-K776 WeakPolarHBondContact OD1-CB 3.29Å; D774-K776 PolarHBondContact OD1-N 3.49Å; K776-Q780 PolarHBondContact O-N 3.01Å
777Q92.6Very high94.1Very high102 Ų10292 Ų9248%0.47749%0.487SS..Hα-helixtrans-71.5-39.3173.9-70.9171.844.700110.7C772 D774 A779 Q780 L781C772-Q777 WeakPolarHBondContact SG-CB 3.37Å; D774-Q777 HydrophobicContact CB-CB 4.13Å; D774-Q777 HydrophobicContact CB-CG 4.2Å; D774-Q777 PolarHBondContact O-N 3.19Å; D774-Q777 WeakPolarHBondContact OD2-CG 3.41Å; D774-Q777 PolarHBondContact OD2-NE2 3Å; Q777-A779 PolarHBondContact O-N 3.1Å; Q777-Q780 WeakPolarHBondContact O-CB 3.37Å; Q777-Q780 PolarHBondContact O-N 3.32Å; Q777-Q780 VanDerWaalsContact O-N 3.11Å; Q777-L781 WeakPolarHBondContact O-CB 3.44Å; Q777-L781 WeakPolarHBondContact O-CG 3.41Å; Q777-L781 PolarHBondContact O-N 3.07Å
778Q92.1Very high94Very high87 Ų8788.1 Ų88.141%0.40747%0.468SS..Hα-helixtrans-56.4-48.4174.7-164.3-179.922.700111.6L769 D774 Q780 L781 E782L769-Q778 HydrophobicContact CD1-CB 4.42Å; L769-Q778 HydrophobicContact CD1-CG 3.59Å; L769-Q778 VanDerWaalsContact CD1-O 3.25Å; L769-Q778 WeakPolarHBondContact CD1-O 3.26Å; D774-Q778 WeakPolarHBondContact O-CB 3.46Å; D774-Q778 PolarHBondContact O-N 2.73Å; Q778-Q780 VanDerWaalsContact C-N 3.31Å; Q778-Q780 PolarHBondContact O-N 3.1Å; Q778-L781 PolarHBondContact O-N 2.61Å; Q778-E782 WeakPolarHBondContact O-CB 3.38Å; Q778-E782 PolarHBondContact O-N 2.95Å
779A94.2Very high94Very high55 Ų5586.6 Ų86.646%0.45546%0.461SS..Hα-helixtrans-63.7-33.2175.800000113.4P775 Q777 A783P775-A779 WeakPolarHBondContact O-CB 3.27Å; P775-A779 PolarHBondContact O-N 3.4Å; P775-A779 VanDerWaalsContact O-N 3.1Å; Q777-A779 PolarHBondContact O-N 3.1Å; A779-A783 WeakPolarHBondContact O-CB 3.46Å; A779-A783 PolarHBondContact O-N 3.38Å; A779-A783 VanDerWaalsContact O-N 3.13Å
780Q95.3Very high94.2Very high147 Ų14789.8 Ų89.869%0.68748%0.475SS*.Hα-helixtrans-71.3-39.6174.9-175.2177-16.900112K776 Q777 Q778 A783 C784K776-Q780 PolarHBondContact O-N 3.01Å; Q777-Q780 WeakPolarHBondContact O-CB 3.37Å; Q777-Q780 PolarHBondContact O-N 3.32Å; Q777-Q780 VanDerWaalsContact O-N 3.11Å; Q778-Q780 VanDerWaalsContact C-N 3.31Å; Q778-Q780 PolarHBondContact O-N 3.1Å; Q780-A783 PolarHBondContact O-N 3.13Å; Q780-C784 WeakPolarHBondContact O-CB 3.39Å; Q780-C784 PolarHBondContact O-N 3.18Å
781L94Very high94.4Very high31 Ų3186.9 Ų86.916%0.16246%0.457CS..Hα-helixtrans-69.8-36.6176-72.3167.5000111.7T765 E768 L769 C772 Q777 Q778 C784 L785T765-L781 HydrophobicContact CG2-CD2 4.21Å; E768-L781 HydrophobicContact CB-CD1 4.15Å; E768-L781 HydrophobicContact CB-CD2 4.03Å; E768-L781 WeakPolarHBondContact OE2-CD2 3.34Å; L769-L781 HydrophobicContact CB-CB 4.2Å; L769-L781 HydrophobicContact CD1-CB 3.75Å; C772-L781 HydrophobicContact CB-CD1 3.83Å; Q777-L781 WeakPolarHBondContact O-CB 3.44Å; Q777-L781 WeakPolarHBondContact O-CG 3.41Å; Q777-L781 PolarHBondContact O-N 3.07Å; Q778-L781 PolarHBondContact O-N 2.61Å; L781-C784 PolarHBondContact O-N 2.78Å; L781-L785 VanDerWaalsContact O-CB 3.29Å; L781-L785 WeakPolarHBondContact O-CB 3.4Å; L781-L785 PolarHBondContact O-N 2.85Å
782E94.9Very high94.5Very high125 Ų12584 Ų8458%0.58443%0.432SS*.Hα-helixtrans-64-42.8173.2-172.6-177.7179.500111.3L769 Q778 L785 K786L769-E782 HydrophobicContact CD1-CB 4.25Å; Q778-E782 WeakPolarHBondContact O-CB 3.38Å; Q778-E782 PolarHBondContact O-N 2.95Å; E782-L785 PolarHBondContact O-N 2.88Å; E782-K786 WeakPolarHBondContact O-CB 3.39Å; E782-K786 PolarHBondContact O-N 2.84Å
783A96.4Very high94.7Very high60 Ų6088.8 Ų88.850%0.49645%0.447SS..Hα-helixtrans-63.2-41173.600000112.3A779 Q780 Q787A779-A783 WeakPolarHBondContact O-CB 3.46Å; A779-A783 PolarHBondContact O-N 3.38Å; A779-A783 VanDerWaalsContact O-N 3.13Å; Q780-A783 PolarHBondContact O-N 3.13Å; A783-Q787 PolarHBondContact O-N 2.91Å
784C95.6Very high95Very high42 Ų4283 Ų8328%0.28442%0.42SS..Hα-helixtrans-63.4-47174.4-170.90000111.7T765 Q780 L781 K786 Q787 K788T765-C784 HydrophobicContact CG2-CB 3.96Å; Q780-C784 WeakPolarHBondContact O-CB 3.39Å; Q780-C784 PolarHBondContact O-N 3.18Å; L781-C784 PolarHBondContact O-N 2.78Å; C784-K786 VanDerWaalsContact C-N 3.33Å; C784-K786 PolarHBondContact O-N 2.88Å; C784-Q787 WeakPolarHBondContact O-CA 3.27Å; C784-Q787 WeakPolarHBondContact O-CB 3.42Å; C784-Q787 PolarHBondContact O-N 2.85Å; C784-Q787 VanDerWaalsContact O-N 3.08Å; C784-K788 WeakPolarHBondContact O-CG 3.3Å; C784-K788 PolarHBondContact O-N 2.91Å
785L95.9Very high95Very high22 Ų2280.5 Ų80.512%0.11541%0.408CS..Hα-helixtrans-57.9-46.5177.5-178.961.6000110.8K762 T765 K766 L769 L781 E782 Q787 K788 E789K762-L785 HydrophobicContact CG-CD1 3.79Å; K762-L785 WeakPolarHBondContact O-CD1 3.39Å; T765-L785 HydrophobicContact CG2-CB 4.04Å; K766-L785 HydrophobicContact CB-CD1 4.12Å; K766-L785 HydrophobicContact CB-CD2 4.32Å; K766-L785 HydrophobicContact CG-CD2 4.47Å; L769-L785 HydrophobicContact CD2-CD2 3.69Å; L781-L785 VanDerWaalsContact O-CB 3.29Å; L781-L785 WeakPolarHBondContact O-CB 3.4Å; L781-L785 PolarHBondContact O-N 2.85Å; E782-L785 PolarHBondContact O-N 2.88Å; L785-Q787 VanDerWaalsContact C-N 3.31Å; L785-Q787 PolarHBondContact O-N 3.18Å; L785-K788 PolarHBondContact O-N 2.96Å; L785-K788 VanDerWaalsContact O-N 3.16Å; L785-E789 WeakPolarHBondContact O-CG 3.4Å; L785-E789 PolarHBondContact O-N 3.17Å
786K96.9Very high95.1Very high142 Ų14279.8 Ų79.862%0.61740%0.397SS*.Hα-helixtrans-59.8-38.9175.1-175.3177.4178.8179.20112.5E782 C784 E789 E790E782-K786 WeakPolarHBondContact O-CB 3.39Å; E782-K786 PolarHBondContact O-N 2.84Å; C784-K786 VanDerWaalsContact C-N 3.33Å; C784-K786 PolarHBondContact O-N 2.88Å; K786-E789 PolarHBondContact O-N 3.19Å; K786-E790 PolarHBondContact O-N 3.04Å
787Q97.5Very high95.3Very high141 Ų14177.6 Ų77.666%0.65938%0.384SS*.Hα-helixtrans-66-42174.3-172.2-177.73.300111.9A783 C784 L785 E789 E790 A791A783-Q787 PolarHBondContact O-N 2.91Å; C784-Q787 WeakPolarHBondContact O-CA 3.27Å; C784-Q787 WeakPolarHBondContact O-CB 3.42Å; C784-Q787 PolarHBondContact O-N 2.85Å; C784-Q787 VanDerWaalsContact O-N 3.08Å; L785-Q787 VanDerWaalsContact C-N 3.31Å; L785-Q787 PolarHBondContact O-N 3.18Å; Q787-E789 VanDerWaalsContact C-N 3.35Å; Q787-E790 PolarHBondContact O-N 3.19Å; Q787-A791 PolarHBondContact O-N 2.76Å
788K94.1Very high95.5Very high47 Ų4779.1 Ų79.120%0.20439%0.385CS..Hα-helixtrans-65.6-35.5174.2-64.6-62.4-170.1177.60112.1L758 E761 C784 L785 A791 C792L758-K788 HydrophobicContact CD2-CD 4.46Å; E761-K788 HydrophobicContact CB-CD 4.19Å; E761-K788 IonicContact OE1-NZ 3.54Å; E761-K788 PolarHBondContact OE1-NZ 3.24Å; E761-K788 WeakPolarHBondContact OE2-CE 3.26Å; E761-K788 IonicContact OE2-NZ 3.66Å; E761-K788 PolarHBondContact OE2-NZ 3.31Å; C784-K788 WeakPolarHBondContact O-CG 3.3Å; C784-K788 PolarHBondContact O-N 2.91Å; L785-K788 PolarHBondContact O-N 2.96Å; L785-K788 VanDerWaalsContact O-N 3.16Å; K788-A791 PolarHBondContact O-N 2.99Å; K788-C792 PolarHBondContact O-N 3.36Å; K788-C792 PolarHBondContact O-SG 2.72Å
789E94.6Very high95.7Very high75 Ų7578 Ų7835%0.3538%0.377SS..Hα-helixtrans-67.8-35.8172.4-73.2-166.2143.400113.4K762 L785 K786 Q787 R793K762-E789 HydrophobicContact CD-CG 3.93Å; K762-E789 WeakPolarHBondContact CE-OE1 3.18Å; K762-E789 HydrophobicContact CG-CG 4.45Å; K762-E789 IonicContact NZ-OE1 2.67Å; K762-E789 PolarHBondContact NZ-OE1 3.21Å; L785-E789 WeakPolarHBondContact O-CG 3.4Å; L785-E789 PolarHBondContact O-N 3.17Å; K786-E789 PolarHBondContact O-N 3.19Å; Q787-E789 VanDerWaalsContact C-N 3.35Å; E789-R793 WeakPolarHBondContact O-CG 3.34Å; E789-R793 PolarHBondContact O-N 3.11Å; E789-R793 VanDerWaalsContact O-N 3.1Å; E789-R793 PolarHBondContact O-NE 3.23Å
790E97.4Very high95.9Very high99 Ų9979.2 Ų79.246%0.46338%0.378SS..Hα-helixtrans-66.2-44.4171.3-170.9124.8-104.100111.9K786 Q787 C792 R793 E794K786-E790 PolarHBondContact O-N 3.04Å; Q787-E790 PolarHBondContact O-N 3.19Å; E790-C792 VanDerWaalsContact C-N 3.34Å; E790-C792 PolarHBondContact O-N 3.34Å; E790-R793 VanDerWaalsContact CD-NH2 3.26Å; E790-R793 PolarHBondContact O-N 3.38Å; E790-R793 IonicContact OE1-CZ 2.92Å; E790-R793 IonicContact OE1-NH1 2.66Å; E790-R793 PolarHBondContact OE1-NH1 3.3Å; E790-R793 IonicContact OE1-NH2 2.8Å; E790-R793 PolarHBondContact OE1-NH2 3.04Å; E790-E794 PolarHBondContact O-N 3.23Å
791A96.3Very high96Very high36 Ų3676.1 Ų76.130%0.29836%0.364SS..Hα-helixtrans-61.1-40.2173.900000112.2L758 Q787 K788 R793 E794 A795L758-A791 HydrophobicContact CD1-CB 4.15Å; L758-A791 HydrophobicContact CD2-CB 3.69Å; Q787-A791 PolarHBondContact O-N 2.76Å; K788-A791 PolarHBondContact O-N 2.99Å; A791-R793 PolarHBondContact O-N 2.98Å; A791-E794 PolarHBondContact O-N 3.13Å; A791-A795 WeakPolarHBondContact O-CB 3.45Å; A791-A795 PolarHBondContact O-N 2.89Å
792C95.4Very high96.1Very high18 Ų1874.8 Ų74.812%0.12236%0.357CS..Hα-helixtrans-58-47171.9-710000111.8K788 E790 E794 A795 E796K788-C792 PolarHBondContact O-N 3.36Å; K788-C792 PolarHBondContact O-SG 2.72Å; E790-C792 VanDerWaalsContact C-N 3.34Å; E790-C792 PolarHBondContact O-N 3.34Å; C792-E794 VanDerWaalsContact C-N 3.32Å; C792-E794 PolarHBondContact O-N 3.04Å; C792-A795 PolarHBondContact O-N 2.92Å; C792-E796 WeakPolarHBondContact O-CB 3.49Å; C792-E796 PolarHBondContact O-N 2.85Å
793R96.5Very high96.1Very high122 Ų12272.2 Ų72.246%0.4635%0.345SS..Hα-helixtrans-65.1-34.3178.8-73.4-178.8-68.9124.22112.4E789 E790 A791 R797E789-R793 WeakPolarHBondContact O-CG 3.34Å; E789-R793 PolarHBondContact O-N 3.11Å; E789-R793 VanDerWaalsContact O-N 3.1Å; E789-R793 PolarHBondContact O-NE 3.23Å; E790-R793 VanDerWaalsContact CD-NH2 3.26Å; E790-R793 PolarHBondContact O-N 3.38Å; E790-R793 IonicContact OE1-CZ 2.92Å; E790-R793 IonicContact OE1-NH1 2.66Å; E790-R793 PolarHBondContact OE1-NH1 3.3Å; E790-R793 IonicContact OE1-NH2 2.8Å; E790-R793 PolarHBondContact OE1-NH2 3.04Å; A791-R793 PolarHBondContact O-N 2.98Å; R793-R797 WeakPolarHBondContact O-CG 3.32Å; R793-R797 PolarHBondContact O-N 3.13Å; R793-R797 VanDerWaalsContact O-N 3.14Å
794E97.1Very high96.1Very high64 Ų6474.7 Ų74.730%0.29935%0.349SS..Hα-helixtrans-72.4-43.6175.9176.458.9-167.600112.6E790 A791 C792 E796 R797 R798E790-E794 PolarHBondContact O-N 3.23Å; A791-E794 PolarHBondContact O-N 3.13Å; C792-E794 VanDerWaalsContact C-N 3.32Å; C792-E794 PolarHBondContact O-N 3.04Å; E794-E796 VanDerWaalsContact C-N 3.32Å; E794-E796 PolarHBondContact O-N 2.87Å; E794-R797 WeakPolarHBondContact O-CB 3.44Å; E794-R797 PolarHBondContact O-N 3.18Å; E794-R797 IonicContact OE2-CZ 3.74Å; E794-R797 VanDerWaalsContact OE2-CZ 3.24Å; E794-R797 IonicContact OE2-NE 2.81Å; E794-R797 PolarHBondContact OE2-NE 3.15Å; E794-R797 IonicContact OE2-NH2 3.08Å; E794-R797 PolarHBondContact OE2-NH2 2.82Å; E794-R798 WeakPolarHBondContact O-CG 3.4Å; E794-R798 PolarHBondContact O-N 3.15Å; E794-R798 IonicContact OE1-CZ 3.35Å; E794-R798 VanDerWaalsContact OE1-CZ 3.23Å; E794-R798 IonicContact OE1-NE 2.69Å; E794-R798 PolarHBondContact OE1-NE 3.46Å; E794-R798 IonicContact OE1-NH2 3.42Å; E794-R798 PolarHBondContact OE1-NH2 2.86Å
795A95.1Very high96.1Very high9 Ų977.8 Ų77.87%0.07436%0.355CS..Hα-helixtrans-64.6-36.9175.700000111.9V751 L755 L758 A791 C792 R798 R799V751-A795 WeakPolarHBondContact CG1-O 3.37Å; L755-A795 HydrophobicContact CD2-CB 3.73Å; L755-A795 HydrophobicContact CG-CB 3.86Å; L758-A795 HydrophobicContact CD1-CB 3.8Å; A791-A795 WeakPolarHBondContact O-CB 3.45Å; A791-A795 PolarHBondContact O-N 2.89Å; C792-A795 PolarHBondContact O-N 2.92Å; A795-R798 PolarHBondContact O-N 3.21Å; A795-R799 PolarHBondContact O-N 2.95Å
796E93.6Very high96.2Very high77 Ų7777.6 Ų77.636%0.3635%0.354SS..Hα-helixtrans-65.6-41.8174.6-173.972.217400111.6L755 C792 E794 R798 R799 V800L755-E796 WeakPolarHBondContact CD1-OE2 3.23Å; L755-E796 HydrophobicContact CD2-CB 4.29Å; C792-E796 WeakPolarHBondContact O-CB 3.49Å; C792-E796 PolarHBondContact O-N 2.85Å; E794-E796 VanDerWaalsContact C-N 3.32Å; E794-E796 PolarHBondContact O-N 2.87Å; E796-R798 VanDerWaalsContact C-N 3.33Å; E796-R798 PolarHBondContact O-N 2.89Å; E796-R799 WeakPolarHBondContact O-CB 3.49Å; E796-R799 PolarHBondContact O-N 3.49Å; E796-R799 IonicContact OE1-CZ 3.65Å; E796-R799 IonicContact OE1-NH1 3.13Å; E796-R799 PolarHBondContact OE1-NH1 2.86Å; E796-R799 IonicContact OE2-NH1 2.7Å; E796-R799 PolarHBondContact OE2-NH1 3.08Å; E796-R799 VanDerWaalsContact OE2-NH1 3.08Å; E796-V800 PolarHBondContact O-N 3.32Å
797R95.9Very high96.1Very high128 Ų12874.6 Ų74.648%0.48335%0.348SS..Hα-helixtrans-57.5-44.4171.4-79.8-173.1-65.7-95.17.3112.1R793 E794 R799 V800 E801R793-R797 WeakPolarHBondContact O-CG 3.32Å; R793-R797 PolarHBondContact O-N 3.13Å; R793-R797 VanDerWaalsContact O-N 3.14Å; E794-R797 WeakPolarHBondContact O-CB 3.44Å; E794-R797 PolarHBondContact O-N 3.18Å; E794-R797 IonicContact OE2-CZ 3.74Å; E794-R797 VanDerWaalsContact OE2-CZ 3.24Å; E794-R797 IonicContact OE2-NE 2.81Å; E794-R797 PolarHBondContact OE2-NE 3.15Å; E794-R797 IonicContact OE2-NH2 3.08Å; E794-R797 PolarHBondContact OE2-NH2 2.82Å; R797-R799 VanDerWaalsContact C-N 3.31Å; R797-R799 PolarHBondContact O-N 2.87Å; R797-V800 PolarHBondContact O-N 2.81Å; R797-E801 PolarHBondContact O-N 3.12Å
798R96.4Very high96.1Very high134 Ų13473.7 Ų73.751%0.50634%0.343SS..Hα-helixtrans-66.3-32.3177.5-68-177.5-161.7177.25.3112.6V751 E794 A795 E796 V800 E801 V802V751-R798 HydrophobicContact CG2-CB 4.26Å; E794-R798 WeakPolarHBondContact O-CG 3.4Å; E794-R798 PolarHBondContact O-N 3.15Å; E794-R798 IonicContact OE1-CZ 3.35Å; E794-R798 VanDerWaalsContact OE1-CZ 3.23Å; E794-R798 IonicContact OE1-NE 2.69Å; E794-R798 PolarHBondContact OE1-NE 3.46Å; E794-R798 IonicContact OE1-NH2 3.42Å; E794-R798 PolarHBondContact OE1-NH2 2.86Å; A795-R798 PolarHBondContact O-N 3.21Å; E796-R798 VanDerWaalsContact C-N 3.33Å; E796-R798 PolarHBondContact O-N 2.89Å; R798-V800 VanDerWaalsContact C-N 3.32Å; R798-V800 PolarHBondContact O-N 2.85Å; R798-E801 PolarHBondContact O-N 2.84Å; R798-V802 WeakPolarHBondContact O-CB 3.37Å; R798-V802 VanDerWaalsContact O-CG2 3.28Å; R798-V802 WeakPolarHBondContact O-CG2 3.45Å; R798-V802 PolarHBondContact O-N 2.94Å
799R97.5Very high96.2Very high65 Ų6572 Ų7225%0.24534%0.337CS..Hα-helixtrans-59.3-46.8173.7-155.4-154.778.5-124-8.5110.6V751 L755 A795 E796 R797 V802 E803V751-R799 HydrophobicContact CG1-CB 3.7Å; V751-R799 HydrophobicContact CG1-CG 4.02Å; L755-R799 HydrophobicContact CD1-CB 4.2Å; L755-R799 HydrophobicContact CD1-CG 4.33Å; A795-R799 PolarHBondContact O-N 2.95Å; E796-R799 WeakPolarHBondContact O-CB 3.49Å; E796-R799 PolarHBondContact O-N 3.49Å; E796-R799 IonicContact OE1-CZ 3.65Å; E796-R799 IonicContact OE1-NH1 3.13Å; E796-R799 PolarHBondContact OE1-NH1 2.86Å; E796-R799 IonicContact OE2-NH1 2.7Å; E796-R799 PolarHBondContact OE2-NH1 3.08Å; E796-R799 VanDerWaalsContact OE2-NH1 3.08Å; R797-R799 VanDerWaalsContact C-N 3.31Å; R797-R799 PolarHBondContact O-N 2.87Å; R799-V802 PolarHBondContact O-N 2.98Å; R799-E803 WeakPolarHBondContact CD-OE1 3.4Å; R799-E803 IonicContact CZ-OE1 2.69Å; R799-E803 IonicContact CZ-OE2 2.73Å; R799-E803 VanDerWaalsContact CZ-OE2 3.29Å; R799-E803 IonicContact NE-OE1 3.88Å; R799-E803 PolarHBondContact NE-OE1 3.41Å; R799-E803 IonicContact NE-OE2 2.84Å; R799-E803 PolarHBondContact NE-OE2 3.12Å; R799-E803 IonicContact NH2-OE1 2.97Å; R799-E803 IonicContact NH2-OE2 2.61Å; R799-E803 PolarHBondContact NH2-OE2 2.57Å; R799-E803 VanDerWaalsContact O-CB 3.29Å; R799-E803 WeakPolarHBondContact O-CB 3.48Å; R799-E803 WeakPolarHBondContact O-CG 3.48Å; R799-E803 PolarHBondContact O-N 2.86Å
800V96.9Very high96.3Very high79 Ų7973.5 Ų73.548%0.47934%0.342SS..Hα-helixtrans-65.4-43178178.10000111.9E796 R797 R798 E803 L804E796-V800 PolarHBondContact O-N 3.32Å; R797-V800 PolarHBondContact O-N 2.81Å; R798-V800 VanDerWaalsContact C-N 3.32Å; R798-V800 PolarHBondContact O-N 2.85Å; V800-E803 PolarHBondContact O-N 3.3Å; V800-L804 WeakPolarHBondContact O-CB 3.41Å; V800-L804 PolarHBondContact O-N 2.76Å
801E97Very high96.2Very high83 Ų8373.7 Ų73.739%0.38834%0.343SS..Hα-helixtrans-60-46.6176178.666.5-168.500112.1R797 R798 L804 R805R797-E801 PolarHBondContact O-N 3.12Å; R798-E801 PolarHBondContact O-N 2.84Å; E801-L804 PolarHBondContact O-N 2.94Å; E801-R805 WeakPolarHBondContact O-CG 3.2Å; E801-R805 PolarHBondContact O-N 3.12Å; E801-R805 IonicContact OE1-CZ 2.7Å; E801-R805 IonicContact OE1-NE 3.86Å; E801-R805 PolarHBondContact OE1-NE 2.83Å; E801-R805 IonicContact OE1-NH2 2.76Å; E801-R805 PolarHBondContact OE1-NH2 3.49Å
802V97.1Very high96Very high3 Ų373 Ų732%0.01834%0.336CS..Hα-helixtrans-67.8-40.2178.1174.10000111.1L744 E747 R748 R798 R799 L804 L806L744-V802 HydrophobicContact CB-CG1 4.37Å; L744-V802 HydrophobicContact CD2-CG1 4.2Å; L744-V802 WeakPolarHBondContact O-CG1 3.27Å; E747-V802 HydrophobicContact CB-CG1 4.29Å; E747-V802 HydrophobicContact CB-CG2 4.36Å; E747-V802 HydrophobicContact CG-CG2 3.82Å; R748-V802 HydrophobicContact CB-CG1 3.89Å; R798-V802 WeakPolarHBondContact O-CB 3.37Å; R798-V802 VanDerWaalsContact O-CG2 3.28Å; R798-V802 WeakPolarHBondContact O-CG2 3.45Å; R798-V802 PolarHBondContact O-N 2.94Å; R799-V802 PolarHBondContact O-N 2.98Å; V802-L804 VanDerWaalsContact C-N 3.35Å; V802-L804 PolarHBondContact O-N 3.12Å; V802-L806 WeakPolarHBondContact O-CB 3.22Å; V802-L806 PolarHBondContact O-N 2.92Å
803E94.6Very high95.9Very high71 Ų7172.6 Ų72.633%0.33233%0.333SS..Hα-helixtrans-61.6-40.7174.4-77.5167.3172.400112R799 V800 L806 V807R799-E803 WeakPolarHBondContact CD-OE1 3.4Å; R799-E803 IonicContact CZ-OE1 2.69Å; R799-E803 IonicContact CZ-OE2 2.73Å; R799-E803 VanDerWaalsContact CZ-OE2 3.29Å; R799-E803 IonicContact NE-OE1 3.88Å; R799-E803 PolarHBondContact NE-OE1 3.41Å; R799-E803 IonicContact NE-OE2 2.84Å; R799-E803 PolarHBondContact NE-OE2 3.12Å; R799-E803 IonicContact NH2-OE1 2.97Å; R799-E803 IonicContact NH2-OE2 2.61Å; R799-E803 PolarHBondContact NH2-OE2 2.57Å; R799-E803 VanDerWaalsContact O-CB 3.29Å; R799-E803 WeakPolarHBondContact O-CB 3.48Å; R799-E803 WeakPolarHBondContact O-CG 3.48Å; R799-E803 PolarHBondContact O-N 2.86Å; V800-E803 PolarHBondContact O-N 3.3Å; E803-L806 PolarHBondContact O-N 3.49Å; E803-V807 WeakPolarHBondContact O-CG2 3.45Å; E803-V807 PolarHBondContact O-N 3.4Å; E803-V807 VanDerWaalsContact O-N 3.08Å
804L96.6Very high95.7Very high111 Ų11173.8 Ų73.858%0.58134%0.341SS*.Hα-helixtrans-65.8-49177.3-177.262.7000111.9V800 E801 V802 L806 V807 E808V800-L804 WeakPolarHBondContact O-CB 3.41Å; V800-L804 PolarHBondContact O-N 2.76Å; E801-L804 PolarHBondContact O-N 2.94Å; V802-L804 VanDerWaalsContact C-N 3.35Å; V802-L804 PolarHBondContact O-N 3.12Å; L804-L806 VanDerWaalsContact C-N 3.3Å; L804-L806 PolarHBondContact O-N 3.24Å; L804-V807 WeakPolarHBondContact O-CB 3.5Å; L804-V807 PolarHBondContact O-N 2.77Å; L804-V807 VanDerWaalsContact O-N 3.15Å; L804-E808 PolarHBondContact O-N 2.84Å
805R96.4Very high95.5Very high108 Ų10876.3 Ų76.341%0.40835%0.351SS..Hα-helixtrans-61-39.5175.7-69.2178-172.5-156.32112.1L744 E801 V807 E808 V809L744-R805 HydrophobicContact CD1-CB 3.78Å; L744-R805 HydrophobicContact CD2-CB 3.97Å; E801-R805 WeakPolarHBondContact O-CG 3.2Å; E801-R805 PolarHBondContact O-N 3.12Å; E801-R805 IonicContact OE1-CZ 2.7Å; E801-R805 IonicContact OE1-NE 3.86Å; E801-R805 PolarHBondContact OE1-NE 2.83Å; E801-R805 IonicContact OE1-NH2 2.76Å; E801-R805 PolarHBondContact OE1-NH2 3.49Å; R805-V807 VanDerWaalsContact C-N 3.27Å; R805-V807 PolarHBondContact O-N 2.82Å; R805-E808 PolarHBondContact O-N 2.77Å; R805-V809 VanDerWaalsContact O-CB 3.31Å; R805-V809 WeakPolarHBondContact O-CB 3.41Å; R805-V809 WeakPolarHBondContact O-CG2 3.35Å; R805-V809 PolarHBondContact O-N 2.78Å
806L97.2Very high95.2Very high17 Ų1777.2 Ų77.29%0.08936%0.356CS..Hα-helixtrans-64.8-32.6177.9-171.1157.3000111.3L744 E745 V802 E803 L804 K810L744-L806 HydrophobicContact CB-CB 4.34Å; L744-L806 HydrophobicContact CB-CD1 4.4Å; E745-L806 HydrophobicContact CG-CD1 3.97Å; V802-L806 WeakPolarHBondContact O-CB 3.22Å; V802-L806 PolarHBondContact O-N 2.92Å; E803-L806 PolarHBondContact O-N 3.49Å; L804-L806 VanDerWaalsContact C-N 3.3Å; L804-L806 PolarHBondContact O-N 3.24Å; L806-K810 HydrophobicContact CD2-CD 3.6Å; L806-K810 HydrophobicContact CG-CD 4.46Å; L806-K810 WeakPolarHBondContact O-CB 3.36Å; L806-K810 WeakPolarHBondContact O-CD 3.46Å; L806-K810 WeakPolarHBondContact O-CG 3.38Å; L806-K810 PolarHBondContact O-N 2.9Å
807V95.7Very high94.8Very high80 Ų8079.4 Ų79.449%0.48537%0.366SS..Hα-helixtrans-69.2-50.2169.8170.30000111.5E803 L804 R805 V809 K810 E811E803-V807 WeakPolarHBondContact O-CG2 3.45Å; E803-V807 PolarHBondContact O-N 3.4Å; E803-V807 VanDerWaalsContact O-N 3.08Å; L804-V807 WeakPolarHBondContact O-CB 3.5Å; L804-V807 PolarHBondContact O-N 2.77Å; L804-V807 VanDerWaalsContact O-N 3.15Å; R805-V807 VanDerWaalsContact C-N 3.27Å; R805-V807 PolarHBondContact O-N 2.82Å; V807-V809 VanDerWaalsContact C-N 3.32Å; V807-V809 PolarHBondContact O-N 3.17Å; V807-K810 PolarHBondContact O-N 2.65Å; V807-E811 PolarHBondContact O-N 3.14Å
808E96.6Very high94.2Very high121 Ų12177.7 Ų77.757%0.56537%0.374SS*.Hα-helixtrans-57.8-43.2179.2-178-176.7-167.400112.3L804 R805 E811 S812L804-E808 PolarHBondContact O-N 2.84Å; R805-E808 PolarHBondContact O-N 2.77Å; E808-E811 PolarHBondContact O-N 2.94Å; E808-S812 WeakPolarHBondContact O-CB 3.47Å; E808-S812 PolarHBondContact O-N 3.25Å; E808-S812 PolarHBondContact O-OG 3.26Å
809V96.9Very high93.1Very high12 Ų1272.7 Ų72.77%0.07336%0.364CS..Hα-helixtrans-68.4-36.3178.6169.60000111.3Y737 E740 R741 L744 R805 V807 S812 L813Y737-V809 HydrophobicContact CD1-CG1 4.24Å; Y737-V809 VanDerWaalsContact O-CG1 3.3Å; Y737-V809 WeakPolarHBondContact O-CG1 3.27Å; E740-V809 HydrophobicContact CB-CG1 4.19Å; E740-V809 HydrophobicContact CG-CB 4.47Å; E740-V809 HydrophobicContact CG-CG1 4.06Å; E740-V809 HydrophobicContact CG-CG2 3.57Å; R741-V809 HydrophobicContact CB-CG1 3.95Å; L744-V809 HydrophobicContact CD1-CB 4.41Å; L744-V809 HydrophobicContact CD1-CG2 3.91Å; R805-V809 VanDerWaalsContact O-CB 3.31Å; R805-V809 WeakPolarHBondContact O-CB 3.41Å; R805-V809 WeakPolarHBondContact O-CG2 3.35Å; R805-V809 PolarHBondContact O-N 2.78Å; V807-V809 VanDerWaalsContact C-N 3.32Å; V807-V809 PolarHBondContact O-N 3.17Å; V809-S812 PolarHBondContact O-N 3.31Å; V809-L813 VanDerWaalsContact O-CB 3.29Å; V809-L813 WeakPolarHBondContact O-CB 3.47Å; V809-L813 PolarHBondContact O-N 2.71Å
810K95Very high91.5Very high107 Ų10775.1 Ų75.147%0.46539%0.388SS..Hα-helixtrans-72.6-32.8174.3-73.417173.9164.70112.8R741 L806 V807 K814R741-K810 HydrophobicContact CG-CG 4.41Å; L806-K810 HydrophobicContact CD2-CD 3.6Å; L806-K810 HydrophobicContact CG-CD 4.46Å; L806-K810 WeakPolarHBondContact O-CB 3.36Å; L806-K810 WeakPolarHBondContact O-CD 3.46Å; L806-K810 WeakPolarHBondContact O-CG 3.38Å; L806-K810 PolarHBondContact O-N 2.9Å; V807-K810 PolarHBondContact O-N 2.65Å; K810-K814 WeakPolarHBondContact O-CB 3.43Å; K810-K814 PolarHBondContact O-N 3.24Å
811E95.4Very high89.5Confident102 Ų10280 Ų8048%0.47740%0.403SS..Hα-helixtrans-67.7-41.1170.4-159.7-162.1150.800111V807 E808 K814 K815V807-E811 PolarHBondContact O-N 3.14Å; E808-E811 PolarHBondContact O-N 2.94Å; E811-K814 PolarHBondContact O-N 3.26Å; E811-K815 VanDerWaalsContact O-CG 3.3Å; E811-K815 WeakPolarHBondContact O-CG 3.05Å; E811-K815 PolarHBondContact O-N 3.17Å; E811-K815 WeakPolarHBondContact OE1-CE 3.33Å; E811-K815 IonicContact OE1-NZ 3.24Å; E811-K815 PolarHBondContact OE1-NZ 2.62Å; E811-K815 IonicContact OE2-NZ 2.62Å
812S93.1Very high87.2Confident21 Ų2182.2 Ų82.215%0.14742%0.422CS..Hα-helixtrans-65.7-42.7176.6-60.10000112.3E808 V809 K815 V816E808-S812 WeakPolarHBondContact O-CB 3.47Å; E808-S812 PolarHBondContact O-N 3.25Å; E808-S812 PolarHBondContact O-OG 3.26Å; V809-S812 PolarHBondContact O-N 3.31Å; S812-K815 PolarHBondContact O-N 3.07Å; S812-V816 WeakPolarHBondContact O-CG2 3.36Å; S812-V816 PolarHBondContact O-N 3.35Å
813L93.8Very high84.6Confident11 Ų1189.4 Ų89.46%0.05846%0.46CS..Hα-helixtrans-57.2-50.6171.9-171.173.5000110.2L734 I738 V809 K815 V816 E817L734-L813 HydrophobicContact CD1-CD1 3.62Å; L734-L813 HydrophobicContact CD1-CG 4.42Å; L734-L813 HydrophobicContact CG-CD1 4.28Å; I738-L813 HydrophobicContact CD1-CD1 4.5Å; I738-L813 HydrophobicContact CG1-CD1 3.77Å; V809-L813 VanDerWaalsContact O-CB 3.29Å; V809-L813 WeakPolarHBondContact O-CB 3.47Å; V809-L813 PolarHBondContact O-N 2.71Å; L813-K815 VanDerWaalsContact C-N 3.32Å; L813-K815 PolarHBondContact O-N 3.12Å; L813-V816 PolarHBondContact O-N 2.89Å; L813-E817 HydrophobicContact CG-CG 4.42Å; L813-E817 WeakPolarHBondContact O-CG 3.37Å; L813-E817 PolarHBondContact O-N 3.27Å
814K92.2Very high82.5Confident146 Ų14689.4 Ų89.464%0.63548%0.479SS*.Hα-helixtrans-59.6-37.6177.8-173.5176.4-179.9-1800113.1K810 E811 V816 E817 S818K810-K814 WeakPolarHBondContact O-CB 3.43Å; K810-K814 PolarHBondContact O-N 3.24Å; E811-K814 PolarHBondContact O-N 3.26Å; K814-V816 VanDerWaalsContact C-N 3.33Å; K814-E817 PolarHBondContact O-N 3.36Å; K814-S818 WeakPolarHBondContact O-CB 3.35Å; K814-S818 PolarHBondContact O-N 2.85Å; K814-S818 PolarHBondContact O-OG 3.21Å; K814-S818 VanDerWaalsContact O-OG 3.13Å
815K91.5Very high79.7Confident117 Ų11790.7 Ų90.751%0.50949%0.491SS..Hα-helixtrans-65.5-33.8174.6-74.2164.2-177.5163.30112.7E811 S812 L813 S818E811-K815 VanDerWaalsContact O-CG 3.3Å; E811-K815 WeakPolarHBondContact O-CG 3.05Å; E811-K815 PolarHBondContact O-N 3.17Å; E811-K815 WeakPolarHBondContact OE1-CE 3.33Å; E811-K815 IonicContact OE1-NZ 3.24Å; E811-K815 PolarHBondContact OE1-NZ 2.62Å; E811-K815 IonicContact OE2-NZ 2.62Å; S812-K815 PolarHBondContact O-N 3.07Å; L813-K815 VanDerWaalsContact C-N 3.32Å; L813-K815 PolarHBondContact O-N 3.12Å; K815-S818 PolarHBondContact O-OG 3.29Å; K815-S818 VanDerWaalsContact O-OG 3.05Å
816V88.8Confident77.2Confident28 Ų2892.3 Ų92.317%0.1751%0.513CS..Hα-helixtrans-76.6-42.5175.6173.70000110.7T730 D733 L734 Y737 S812 L813 K814 G819T730-V816 HydrophobicContact CG2-CG1 3.73Å; T730-V816 WeakPolarHBondContact O-CG1 3.23Å; D733-V816 HydrophobicContact CB-CG1 4.48Å; D733-V816 HydrophobicContact CB-CG2 4.29Å; L734-V816 HydrophobicContact CB-CG1 3.8Å; L734-V816 HydrophobicContact CD1-CB 4.44Å; L734-V816 HydrophobicContact CD1-CG1 3.92Å; L734-V816 HydrophobicContact CG-CG1 4.49Å; Y737-V816 HydrophobicContact CD2-CG2 4Å; Y737-V816 HydrophobicContact CE2-CG2 3.89Å; S812-V816 WeakPolarHBondContact O-CG2 3.36Å; S812-V816 PolarHBondContact O-N 3.35Å; L813-V816 PolarHBondContact O-N 2.89Å; K814-V816 VanDerWaalsContact C-N 3.33Å; V816-G819 PolarHBondContact O-N 3.1Å
817E85.4Confident74.3Confident124 Ų12499.1 Ų99.158%0.57955%0.549SS*.Hα-helixtrans-62.8-38.1175.8-71.2172.516400112.8L734 L813 K814 G819L734-E817 HydrophobicContact CD1-CG 3.56Å; L813-E817 HydrophobicContact CG-CG 4.42Å; L813-E817 WeakPolarHBondContact O-CG 3.37Å; L813-E817 PolarHBondContact O-N 3.27Å; K814-E817 PolarHBondContact O-N 3.36Å; E817-G819 PolarHBondContact O-N 3.31Å
818S84.9Confident71.6Confident92 Ų92102 Ų10264%0.64356%0.562SS**THydrogen-bonded Turntrans-68.9-10.4176.560.70000114.3K814 K815K814-S818 WeakPolarHBondContact O-CB 3.35Å; K814-S818 PolarHBondContact O-N 2.85Å; K814-S818 PolarHBondContact O-OG 3.21Å; K814-S818 VanDerWaalsContact O-OG 3.13Å; K815-S818 PolarHBondContact O-OG 3.29Å; K815-S818 VanDerWaalsContact O-OG 3.05Å
819G72.4Confident68.9Low28 Ų28101.6 Ų101.629%0.28957%0.573SS.*  trans67.1-174.4-175.800000114V816 E817 F821V816-G819 PolarHBondContact O-N 3.1Å; E817-G819 PolarHBondContact O-N 3.31Å; G819-F821 PolarHBondContact O-N 3.31Å
820P64.8Low66.2Low116 Ų116105 Ų10575%0.75360%0.597SS**SBendtrans-68.8125.4175.928.7-33.4000110.8T822P820-T822 PolarHBondContact O-N 3.15Å; P820-T822 VanDerWaalsContact O-N 3.07Å
821F53.5Low63.8Low182 Ų182107.7 Ų107.780%0.79862%0.615SS**  trans-57.1107.4-177.8-179.4-104.8000112.7G819 L823G819-F821 PolarHBondContact O-N 3.31Å; F821-L823 HydrophobicContact CD1-CD2 4.48Å; F821-L823 HydrophobicContact CD1-CG 4.15Å; F821-L823 HydrophobicContact CE1-CD2 3.62Å; F821-L823 HydrophobicContact CE1-CG 3.78Å; F821-L823 HydrophobicContact CZ-CD2 4.32Å; F821-L823 PolarHBondContact O-N 2.95Å
822T50Low60.9Low129 Ų129112 Ų11279%0.79164%0.635SS**  trans-85.3108.1176.945.50000111.4P820 G824P820-T822 PolarHBondContact O-N 3.15Å; P820-T822 VanDerWaalsContact O-N 3.07Å; T822-G824 PolarHBondContact O-N 3.02Å; T822-G824 VanDerWaalsContact O-N 3.08Å
823L43Very low58.3Low155 Ų155118.4 Ų118.481%0.81267%0.668SS**  trans-67.6101.4172.8-84.7167.3000111.7F821F821-L823 HydrophobicContact CD1-CD2 4.48Å; F821-L823 HydrophobicContact CD1-CG 4.15Å; F821-L823 HydrophobicContact CE1-CD2 3.62Å; F821-L823 HydrophobicContact CE1-CG 3.78Å; F821-L823 HydrophobicContact CZ-CD2 4.32Å; F821-L823 PolarHBondContact O-N 2.95Å
824G49.6Very low55.3Low71 Ų71122.4 Ų122.473%0.73270%0.697SS**SBendtrans75.866.4143.700000118.3T822T822-G824 PolarHBondContact O-N 3.02Å; T822-G824 VanDerWaalsContact O-N 3.08Å
825T36.9Very low53.3Low137 Ų137121.6 Ų121.684%0.8471%0.707SS**  trans-135.6119.9147.453.20000110.1L827T825-L827 PolarHBondContact O-N 2.69Å
826T45Very low50.3Low142 Ų142120.6 Ų120.687%0.87172%0.72SS**  trans-79.4104176.848.40000111.1
827L36.6Very low47.5Very low160 Ų160125.1 Ų125.184%0.83875%0.748SS**  trans-135.2134.4154.2-78.9179000109.3T825T825-L827 PolarHBondContact O-N 2.69Å
828D39Very low45.1Very low141 Ų141128.9 Ų128.975%0.75476%0.763SS**  trans-60.2150.7165.4-177.211.1000109.5S830D828-S830 PolarHBondContact OD1-N 3.03Å
829S39.8Very low42.2Very low113 Ų113129.7 Ų129.779%0.7978%0.775SS**  trans-138.836.1176.1-68.10000112.1
830S40.2Very low40.3Very low84 Ų84133 Ų13359%0.58780%0.799SS**  trans-54.2146.8139.2-170.30000110.4D828D828-S830 PolarHBondContact OD1-N 3.03Å
831L44.8Very low38.4Very low162 Ų162134.4 Ų134.485%0.84881%0.806SS**  trans68.380.6177.5-51.3177.9000117.5
832Q34.1Very low37.2Very low192 Ų192133.2 Ų133.290%0.89781%0.807SS**  trans-132.282.5138.9-75.9-160.3-1.600111.2
833D37.4Very low36.8Very low156 Ų156132.8 Ų132.883%0.83481%0.806SS**  trans-90.4146.6148.8-165.4-5.6000107.6
834S32Very low36Very low96 Ų96132.5 Ų132.567%0.67180%0.801SS**  trans-156.1112.6-170.9-80.40000113.6
835P49Very low35.9Very low129 Ų129134.3 Ų134.384%0.83880%0.799SS**  trans-96.6144.9-174.635.9-34.3000114.1
836A30Very low35.5Very low95 Ų95134.3 Ų134.379%0.78579%0.79SS**  trans-151.9100.5164.900000114.4
837T29.7Very low34.6Very low124 Ų124133.4 Ų133.476%0.76179%0.785SS**  trans9121150.7390000122.8
838K33.5Very low34.3Very low203 Ų203130.5 Ų130.588%0.88378%0.778SS**  44.9128116.2-61.1179.1-179.8177.10120.6
839A25.7Very low33.8Very low109 Ų109128.3 Ų128.390%0.90177%0.773SS**  trans-122.6155.1138.400000109.2
840A31.7Very low33.4Very low97 Ų97130.8 Ų130.880%0.80278%0.777SS**  trans-143.9153.9-173.900000112.1
841T24.1Very low33Very low145 Ų145131 Ų13189%0.8978%0.778SS**  trans-154139.7162.2-77.60000110.5
842L28.8Very low32.4Very low157 Ų157130.8 Ų130.882%0.82278%0.776SS**  trans-103.5174.2174.7-88.1165.2000109
843P41.8Very low32.3Very low120 Ų120126.4 Ų126.478%0.77977%0.767SS**  cis-147.7-172.83142.3-19.5000119.1
844H25.9Very low31.9Very low150 Ų150124.8 Ų124.869%0.69476%0.763SS**  trans-69.5-172.8173.2-141.727.5000112.7Q846H844-Q846 PolarHBondContact CE1-O 3.38Å; H844-Q846 PolarHBondContact NE2-O 2.74Å
845P48.4Very low31.9Very low108 Ų108128.9 Ų128.970%0.70177%0.771SS**  cis-130.6-173.518.445.4-26000115.6
846Q27.4Very low30.9Very low138 Ų138127 Ų12765%0.64577%0.767SS**  cis-126-139.18.6-48174.314.100111.8H844H844-Q846 PolarHBondContact CE1-O 3.38Å; H844-Q846 PolarHBondContact NE2-O 2.74Å
847T27Very low30.8Very low123 Ų123126.6 Ų126.676%0.75576%0.763SS**  cis-163.8157.231.7-44.50000113.9
848S29.8Very low30.8Very low99 Ų99125.8 Ų125.869%0.69276%0.762SS**  trans-43.8157.1163.4-58.10000116.1
849S28.2Very low30.5Very low94 Ų94124.4 Ų124.466%0.65776%0.764SS**  cis-177.2152.9-4.246.60000113
850L31.9Very low30.8Very low166 Ų166126.3 Ų126.387%0.86976%0.758SS**  trans67.1148.2156.6-66.3164.2000118.1
851S32.3Very low31.4Very low88 Ų88127.4 Ų127.462%0.61576%0.757SS**  cis-168.1146.7-7.447.90000114
852I31.8Very low31.6Very low158 Ų158124.9 Ų124.981%0.8175%0.746SS**  trans63.9123143.3-69167.1000117.3
853S31.3Very low31.6Very low99 Ų99122.8 Ų122.869%0.69274%0.744SS**  cis-160.1-156.21.4-98.50000108.3
854T28.8Very low31.1Very low123 Ų123122.9 Ų122.976%0.75575%0.747SS**  cis-153.5-115.719.4-40.50000113.7
855Q32.7Very low31.3Very low181 Ų181121 Ų12185%0.84675%0.752SS**  trans-158.3167-158.7-63.4-178.157.200108.7
856A28.1Very low31.2Very low90 Ų90121.3 Ų121.374%0.74475%0.753SS**  cis-169.3174.3-0.800000108.1
857A28.6Very low31.3Very low87 Ų87120.2 Ų120.272%0.71976%0.761SS**  cis-174.8171.7-27.500000110.3
858S28.2Very low31.3Very low106 Ų106119.7 Ų119.774%0.74176%0.762SS**  trans66.4110.5152.8-62.30000123.8
859L28.7Very low31.4Very low174 Ų174120.7 Ų120.791%0.91177%0.769SS**  87.7143126.5-63.7172.8000123.8
860L31.4Very low31.4Very low149 Ų149121.6 Ų121.678%0.7878%0.776SS**  trans-83.4161.5170.8-68.9158.3000111.1
861P43.9Very low32.1Very low120 Ų120119.3 Ų119.378%0.77977%0.77SS**  -128167.571.98.915.8000112.9
862S28.4Very low32.1Very low93 Ų93119.4 Ų119.465%0.6578%0.777SS**  cis108.6115.222.1-59.60000114.4
863S29.3Very low33.2Very low112 Ų112117.7 Ų117.778%0.78378%0.776SS**  trans53.8120.4153.560.10000122
864S30Very low33Very low122 Ų122118.7 Ų118.785%0.85378%0.783SS**  173162.5105.245.30000113.8
865S31.6Very low32.9Very low112 Ų112121.3 Ų121.378%0.78379%0.786SS**  trans-92.2-171.3179.3-45.80000110.5
866P45.6Very low33.8Very low114 Ų114117.1 Ų117.174%0.7478%0.775SS**  cis-146.9-152.910.545.1-22.8000115.5
867S29.8Very low33.8Very low114 Ų114117.8 Ų117.880%0.79777%0.774SS**  trans96122.5151.472.50000120.2
868S27.3Very low33.7Very low113 Ų113120.3 Ų120.379%0.7978%0.776SS**  trans-69149.2170.649.20000114.7
869S31.1Very low33.7Very low120 Ų120122.1 Ų122.184%0.83978%0.777SS**  -164.9133.8127.346.70000113.4
870S27.9Very low33.6Very low113 Ų113118.8 Ų118.879%0.7977%0.768SS**  trans-78.1-173.7160.1-34.40000110.2
871P48.2Very low33.4Very low117 Ų117116 Ų11676%0.7677%0.767SS**  cis-139.2-163.4-12.533.8-11.2000113.8
872A30.9Very low32.8Very low90 Ų90115.9 Ų115.974%0.74477%0.769SS**  trans89.9156.4135.500000120.5
873P56.2Low32.8Very low123 Ų123115.7 Ų115.780%0.79977%0.773SS**  trans-133.3177.3-151.843.4-26.9000115.9
874S27.4Very low32.9Very low119 Ų119117.9 Ų117.983%0.83278%0.776SS**  trans-156.8128.3150.157.90000115.2
875Q26.6Very low32.9Very low178 Ų178118 Ų11883%0.83278%0.775SS**  trans-46.7-175.9149.8-97-171.1-400115.2
876P50.3Low33.4Very low94 Ų94117.9 Ų117.961%0.6177%0.772SS**  cis-141.7-167.5-27.635.4-15.7000113.8
877S27.8Very low32.5Very low104 Ų104118.1 Ų118.173%0.72777%0.771SS**  trans74.5160.3143.686.10000117.7
878N26.6Very low32.5Very low139 Ų139119.9 Ų119.974%0.74377%0.771SS**  cis-160.3177.9-29.2-127.9-2.8000107.9
879N28.5Very low32.4Very low145 Ų145118.9 Ų118.978%0.77577%0.77SS**  trans69.1157.4161.1-65.6-6.1000115.7
880S26.1Very low32.2Very low104 Ų104117.8 Ų117.873%0.72777%0.768SS**  cis-167.8156.7-9.3400000112.9
881A28Very low32.3Very low91 Ų91118 Ų11875%0.75277%0.769SS**  trans71.7168.5145.900000120.7
882S30.6Very low31.4Very low117 Ų117116.8 Ų116.882%0.81877%0.77SS**  trans58.1118.2-170.749.50000115.2
883A29Very low31.5Very low89 Ų89119.7 Ų119.774%0.73677%0.772SS**  cis83.7136.827.300000116
884D32.1Very low30.5Very low158 Ų158122 Ų12285%0.84577%0.769SS**  trans66.485.5162.8-53-22.6000120.4
885C29.2Very low31Very low124 Ų124123.6 Ų123.684%0.83877%0.769SS**  trans-58.1163.7139.3-950000111.2
886P43.2Very low31.4Very low110 Ų110125.7 Ų125.771%0.71477%0.769SS**  cis-150.8-162.339.640.5-17.1000117.3
887V26.6Very low31Very low118 Ų118126.6 Ų126.672%0.71578%0.775SS**  trans73.9104.4156.2-65.40000123
888N28.2Very low31.1Very low152 Ų152126.4 Ų126.481%0.81377%0.769SS**  83.3117.1121-71.2-22.8000123.9
889A25.6Very low31.2Very low91 Ų91123.9 Ų123.975%0.75276%0.763SS**  89.4112.2119.900000122.4
890A26.8Very low31.4Very low97 Ų97124.5 Ų124.580%0.80276%0.764SS**  trans65.4156.6136.700000118.8
891S30.1Very low31.7Very low117 Ų117126.9 Ų126.982%0.81877%0.767SS**  cis-153.8152.314.8-500000112.1
892A30.5Very low32.3Very low93 Ų93127 Ų12777%0.76977%0.768SS**  trans-160.8110.3148.200000113.5
893L33.2Very low32.4Very low150 Ų150128.3 Ų128.379%0.78577%0.771SS**  trans30.6140132.2-47.2-177.5000120
894K34.9Very low33.2Very low171 Ų171134.2 Ų134.274%0.74378%0.78SS**  cis-166.3165.47.2-130.3170.1-176.8175.60113.3
895N38Very low34Very low154 Ų154130.2 Ų130.282%0.82478%0.776SS**  trans97.5135.7159.3-58.6-12.5000119.3
896R34.1Very low35Very low221 Ų221128.9 Ų128.983%0.83476%0.761SS**  trans-123.6178.3-170.8-100.5-178.5-175.9171.4-0.5107.9
897P41.4Very low35.3Very low114 Ų114130 Ų13074%0.7477%0.766SS**  cis-119.116916.943.5-30.2000113.7
898T30.7Very low36.3Very low99 Ų99131.7 Ų131.761%0.60777%0.77SS**  cis69.2134.737.253.80000115.6
899S29.1Very low37.5Very low87 Ų87129.9 Ų129.961%0.60876%0.756SS**  cis-178.5159.3-7.151.20000112.7
900I31.7Very low38.8Very low158 Ų158132.4 Ų132.481%0.8175%0.751SS**  trans69.6143.8147-71.8159.2000114.8
901I33.2Very low40Very low154 Ų154130.4 Ų130.479%0.7973%0.734SS**  cis-120153.821.5-61.6172.8000111.9
902A39.2Very low40.8Very low94 Ų94132 Ų13278%0.77773%0.726SS**  trans-103.6146.7170.200000112.9
903T34Very low41.8Very low143 Ų143132.3 Ų132.388%0.87771%0.712SS**  trans-113.4142.7166.745.40000111.3
904K45.1Very low42.6Very low213 Ų213135.5 Ų135.593%0.92671%0.714SS**  trans-76.1128.5-179.3-80178.4174.2174.90111.4
905G49.1Very low43.5Very low74 Ų74134 Ų13476%0.76371%0.709SS**  trans70.2129.4137.100000118.8
906N51.3Low44.3Very low97 Ų97135.3 Ų135.352%0.51971%0.707SS.*  trans-145.90.4160.6-137.9-12.9000114.6Q909 K910N906-Q909 PolarHBondContact O-N 3.32Å; N906-Q909 WeakPolarHBondContact OD1-CB 3.49Å; N906-K910 PolarHBondContact O-N 3.14Å
907V49.4Very low45.1Very low133 Ų133134 Ų13481%0.80671%0.708SS**Hα-helixtrans-65.7-42.8-178.6-175.40000111.7Q909 A911V907-Q909 VanDerWaalsContact C-N 3.28Å; V907-Q909 PolarHBondContact O-N 3.44Å; V907-A911 PolarHBondContact O-N 3.41Å
908L46.8Very low45.3Very low153 Ų153133.3 Ų133.380%0.80171%0.706SS**Hα-helixtrans-73-21.2-179.4-158.670.9000112.9K912L908-K912 PolarHBondContact O-N 3.35Å
909Q52.6Low46Very low114 Ų114134.3 Ų134.353%0.53371%0.712SS.*Hα-helixtrans-83.1-42.7179.7-170.3166.8-34.900111.3N906 V907 A911 K912 E913N906-Q909 PolarHBondContact O-N 3.32Å; N906-Q909 WeakPolarHBondContact OD1-CB 3.49Å; V907-Q909 VanDerWaalsContact C-N 3.28Å; V907-Q909 PolarHBondContact O-N 3.44Å; Q909-A911 VanDerWaalsContact C-N 3.26Å; Q909-A911 PolarHBondContact O-N 2.88Å; Q909-K912 CarbonylContact O-C 3.59Å; Q909-K912 PolarHBondContact O-N 3.37Å; Q909-E913 WeakPolarHBondContact O-CG 3.32Å; Q909-E913 PolarHBondContact O-N 3.05Å
910K52.7Low46.6Very low145 Ų145140.4 Ų140.463%0.6375%0.745SS**Hα-helixtrans-58.5-36.3170.3-81.8-162.8170.4-170.10113.1N906 K912 E913 W914N906-K910 PolarHBondContact O-N 3.14Å; K910-K912 VanDerWaalsContact C-N 3.34Å; K910-E913 PolarHBondContact O-N 3.49Å; K910-W914 PolarHBondContact O-N 3.23Å; K910-W914 VanDerWaalsContact O-N 3.14Å
911A51.9Low47.3Very low55 Ų55139.5 Ų139.546%0.45574%0.742SS.*Hα-helixtrans-61.2-42.2172.500000112V907 Q909 W914 E915V907-A911 PolarHBondContact O-N 3.41Å; Q909-A911 VanDerWaalsContact C-N 3.26Å; Q909-A911 PolarHBondContact O-N 2.88Å; A911-W914 WeakPolarHBondContact O-CB 3.44Å; A911-W914 PolarHBondContact O-N 3.01Å; A911-E915 PolarHBondContact O-N 3.1Å
912K47.2Very low48.1Very low149 Ų149138.7 Ų138.765%0.64874%0.74SS**Hα-helixtrans-77.7-24.2-178.4-146.8169.4-170.4175.90113.9L908 Q909 K910 K916L908-K912 PolarHBondContact O-N 3.35Å; Q909-K912 CarbonylContact O-C 3.59Å; Q909-K912 PolarHBondContact O-N 3.37Å; K910-K912 VanDerWaalsContact C-N 3.34Å; K912-K916 PolarHBondContact O-N 3.15Å
913E51.2Low48.6Very low101 Ų101141.2 Ų141.247%0.47274%0.738SS.*Hα-helixtrans-73.4-31.1169.5-74.5172.6-179.400112.3Q909 K910 K917Q909-E913 WeakPolarHBondContact O-CG 3.32Å; Q909-E913 PolarHBondContact O-N 3.05Å; K910-E913 PolarHBondContact O-N 3.49Å; E913-K917 PolarHBondContact O-N 3.24Å
914W50.9Low49.4Very low217 Ų217141.1 Ų141.182%0.82273%0.729SS**Hα-helixtrans-65.7-49.4171-103.659.7000111.9K910 A911 K916 K917K910-W914 PolarHBondContact O-N 3.23Å; K910-W914 VanDerWaalsContact O-N 3.14Å; A911-W914 WeakPolarHBondContact O-CB 3.44Å; A911-W914 PolarHBondContact O-N 3.01Å; W914-K916 VanDerWaalsContact C-N 3.28Å; W914-K916 PolarHBondContact O-N 3.36Å; W914-K917 PolarHBondContact O-N 3.09Å; W914-K917 VanDerWaalsContact O-N 3.1Å
915E53.6Low49.7Very low139 Ų139136.6 Ų136.665%0.6572%0.717SS**Hα-helixtrans-58.1-40176.1-68.4-176.7143.200111.9A911 K917 S918A911-E915 PolarHBondContact O-N 3.1Å; E915-K917 VanDerWaalsContact C-N 3.27Å; E915-K917 PolarHBondContact O-N 2.62Å; E915-S918 WeakPolarHBondContact O-CB 3.33Å; E915-S918 PolarHBondContact O-N 2.78Å; E915-S918 VanDerWaalsContact O-N 3.12Å
916K54.2Low49.7Very low181 Ų181140.8 Ų140.879%0.78771%0.714SS**Hα-helixtrans-70.7-13.8178.2-103.2-166171.5-165.60115.5K912 W914K912-K916 PolarHBondContact O-N 3.15Å; W914-K916 VanDerWaalsContact C-N 3.28Å; W914-K916 PolarHBondContact O-N 3.36Å
917K52.7Low49.6Very low195 Ų195143.9 Ų143.985%0.84873%0.728SS**THydrogen-bonded Turntrans-92.6-1.6171.2-74.3-173.6174.2-171.60113.3E913 W914 E915E913-K917 PolarHBondContact O-N 3.24Å; W914-K917 PolarHBondContact O-N 3.09Å; W914-K917 VanDerWaalsContact O-N 3.1Å; E915-K917 VanDerWaalsContact C-N 3.27Å; E915-K917 PolarHBondContact O-N 2.62Å
918S44.3Very low49.6Very low99 Ų99144.8 Ų144.869%0.69272%0.722SS**SBendtrans-99.516.4178.7-170.50000113.3E915E915-S918 WeakPolarHBondContact O-CB 3.33Å; E915-S918 PolarHBondContact O-N 2.78Å; E915-S918 VanDerWaalsContact O-N 3.12Å
919T45.8Very low49.9Very low120 Ų120144.1 Ų144.174%0.73672%0.715SS**  trans-150.982.2178.4-460000111.8
920T41.3Very low49.6Very low214 Ų214146.8 Ų146.8100%1.31373%0.732SS**  trans-1470155.1-62.10000106.5

Retrieved 920 of 920 residues in 284.5 ms (Link to these results)

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