A0A096NSA4_PAPAN Loading...

Protein phosphatase 1F

Dephosphorylates and concomitantly deactivates CaM-kinase II activated upon autophosphorylation, and CaM-kinases IV and I activated upon phosphorylation by CaM-kinase kinase. Promotes apoptosis.

AlphaFold DB , UniProt , Accession A0A096NSA4, Species PAPAN (Papio anubis, Olive baboon), Gene PPM1F, Length 455 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
1M34.5Very low30.6Very low249 Ų249139.5 Ų139.5100%1.22784%0.835SS**  0109.80-70.1-167.6-172.300108.4
2S29Very low30.8Very low125 Ų125144.4 Ų144.487%0.87485%0.847SS**  trans170.698.4139.3-172.80000106.7
3S28.1Very low30.8Very low117 Ų117137.8 Ų137.882%0.81882%0.819SS**  trans-76115.9175.248.70000109.6
4G27.6Very low31.7Very low78 Ų78132.3 Ų132.380%0.80479%0.791SS**  trans-82.4111.3166.100000109.6
5A28.3Very low32.5Very low89 Ų89126.1 Ų126.174%0.73677%0.765SS**  trans-74.1144.8171.100000110.3
6P31.5Very low33.5Very low123 Ų123122.6 Ų122.680%0.79975%0.754SS**  trans-74.9132.1173.312.7-2000110.5K8P6-K8 PolarHBondContact O-N 2.8Å; P6-K8 VanDerWaalsContact O-N 3.16Å
7Q29.6Very low34.5Very low198 Ų198124.9 Ų124.993%0.92575%0.753SS**  trans-60112.4169.5-82.3171.7-42.800109.5S9Q7-S9 PolarHBondContact O-N 2.74Å
8K30.1Very low36.1Very low200 Ų200124.3 Ų124.387%0.8774%0.741SS**  trans-67.5124.9164.9-79.2-179.2172.6-177.80108.8P6 S10P6-K8 PolarHBondContact O-N 2.8Å; P6-K8 VanDerWaalsContact O-N 3.16Å; K8-S10 PolarHBondContact O-N 2.77Å
9S32.1Very low37.8Very low94 Ų94118.1 Ų118.166%0.65770%0.704SS**  trans-43.3124.4166.5158.80000111.4Q7Q7-S9 PolarHBondContact O-N 2.74Å
10S30.4Very low39.4Very low109 Ų109115.1 Ų115.176%0.76269%0.688SS**  trans-98.139.1-176.667.50000112.8K8K8-S10 PolarHBondContact O-N 2.77Å
11Q35.4Very low41.5Very low153 Ų153111.4 Ų111.472%0.71567%0.674SS**THydrogen-bonded Turntrans-87.1-7.7179.3-87.2179.6-17.800114.6A13Q11-A13 VanDerWaalsContact C-N 3.29Å; Q11-A13 PolarHBondContact O-N 3.44Å
12M33.1Very low44.1Very low198 Ų198100.2 Ų100.298%0.97562%0.619SS**THydrogen-bonded Turntrans-77.5-7-179.1-74.8-154.4-103.400115
13A31.3Very low47.1Very low58 Ų5894.3 Ų94.348%0.47958%0.577SS.*SBendtrans-105.1-14-173.100000115.5Q11Q11-A13 VanDerWaalsContact C-N 3.29Å; Q11-A13 PolarHBondContact O-N 3.44Å
14S43.4Very low49.9Very low61 Ų6191.6 Ų91.643%0.42755%0.554SS.*Hα-helixtrans-76.4-38.2-166.2640000114.9A16 E17 E18S14-A16 PolarHBondContact O-N 2.74Å; S14-E17 PolarHBondContact O-N 2.91Å; S14-E18 VanDerWaalsContact O-CG 3.31Å; S14-E18 WeakPolarHBondContact O-CG 3.42Å; S14-E18 PolarHBondContact O-N 2.9Å
15G43.9Very low52.9Low39 Ų3992.8 Ų92.840%0.40254%0.539SS..Hα-helixtrans-70.2-29.1-173.900000115.2T19G15-T19 PolarHBondContact O-OG1 3.48Å
16A48.6Very low55.9Low71 Ų7189 Ų8959%0.58751%0.507SS*.Hα-helixtrans-79.1-29.7-179.100000112.8S14S14-A16 PolarHBondContact O-N 2.74Å
17E49.5Very low58.7Low161 Ų16184.3 Ų84.375%0.75248%0.475SS*.Hα-helixtrans-80.6-25.8177.2-69-172.9164.800112.6S14 T19S14-E17 PolarHBondContact O-N 2.91Å; E17-T19 VanDerWaalsContact C-N 3.35Å
18E63.2Low61.5Low114 Ų11482 Ų8253%0.53346%0.464SS..Hα-helixtrans-75.2-21.2177.5-73172.2-166.100113.7S14 F22 P72S14-E18 VanDerWaalsContact O-CG 3.31Å; S14-E18 WeakPolarHBondContact O-CG 3.42Å; S14-E18 PolarHBondContact O-N 2.9Å; E18-F22 PolarHBondContact O-N 2.8Å; E18-F22 VanDerWaalsContact O-N 3.1Å; E18-P72 HydrophobicContact CB-CG 4.42Å
19T69.3Low64.1Low6 Ų677.4 Ų77.44%0.03745%0.449CS..Hα-helixtrans-67.5-49.8-172.3-62.10000113.5G15 E17 G21 F22 L23 L75 V145G15-T19 PolarHBondContact O-OG1 3.48Å; E17-T19 VanDerWaalsContact C-N 3.35Å; T19-G21 PolarHBondContact O-N 2.81Å; T19-F22 PolarHBondContact O-N 2.81Å; T19-L23 PolarHBondContact O-N 3.25Å; T19-L75 HydrophobicContact CG2-CD1 3.89Å; T19-L75 HydrophobicContact CG2-CD2 3.78Å; T19-L75 HydrophobicContact CG2-CG 4.29Å; T19-V145 HydrophobicContact CG2-CB 4.49Å; T19-V145 HydrophobicContact CG2-CG1 4.02Å; T19-V145 HydrophobicContact CG2-CG2 3.94Å
20P69.8Low66.7Low58 Ų5874.6 Ų74.638%0.37743%0.425SS..Hα-helixtrans-64-39.6177.6-21.535.1000112.5F22 L23 D24P20-F22 VanDerWaalsContact C-N 3.32Å; P20-F22 PolarHBondContact O-N 2.73Å; P20-L23 PolarHBondContact O-N 3.35Å; P20-D24 PolarHBondContact O-N 3.43Å; P20-D24 VanDerWaalsContact O-N 3.09Å
21G83.6Confident69.4Low39 Ų3974.3 Ų74.340%0.40242%0.421SS..Hα-helixtrans-63.9-34.9178.700000113.4T19 M25T19-G21 PolarHBondContact O-N 2.81Å; G21-M25 WeakPolarHBondContact O-CB 3.38Å; G21-M25 PolarHBondContact O-N 2.85Å; G21-M25 VanDerWaalsContact O-N 3.15Å
22F89.3Confident72.1Confident14 Ų1469.6 Ų69.66%0.06141%0.407CS..Hα-helixtrans-65.9-45.8173.9175.7-94.7000112.4E18 T19 P20 D24 M25 L26 L66 R69 A71 L75 L79E18-F22 PolarHBondContact O-N 2.8Å; E18-F22 VanDerWaalsContact O-N 3.1Å; T19-F22 PolarHBondContact O-N 2.81Å; P20-F22 VanDerWaalsContact C-N 3.32Å; P20-F22 PolarHBondContact O-N 2.73Å; F22-D24 VanDerWaalsContact C-N 3.31Å; F22-D24 PolarHBondContact O-N 3.28Å; F22-M25 PolarHBondContact O-N 2.85Å; F22-L26 HydrophobicContact CE1-CB 4.34Å; F22-L26 HydrophobicContact CE1-CD2 4.04Å; F22-L26 HydrophobicContact CZ-CB 4.46Å; F22-L26 HydrophobicContact CZ-CD2 4.4Å; F22-L26 WeakPolarHBondContact O-CB 3.3Å; F22-L26 PolarHBondContact O-N 2.89Å; F22-L66 HydrophobicContact CE1-CD2 4.2Å; F22-L66 HydrophobicContact CZ-CD2 3.98Å; F22-R69 HydrophobicContact CE2-CB 3.92Å; F22-R69 HydrophobicContact CZ-CB 4.42Å; F22-A71 HydrophobicContact CD1-CB 4.42Å; F22-A71 HydrophobicContact CD2-CB 4.23Å; F22-A71 HydrophobicContact CE1-CB 3.81Å; F22-A71 HydrophobicContact CE2-CB 3.6Å; F22-A71 HydrophobicContact CZ-CB 3.38Å; F22-L75 HydrophobicContact CB-CD2 4.36Å; F22-L75 HydrophobicContact CD1-CD2 3.57Å; F22-L75 HydrophobicContact CE1-CD2 4.3Å; F22-L75 HydrophobicContact CG-CD2 4.25Å; F22-L79 HydrophobicContact CE1-CD1 4.37Å
23L90.3Very high74.9Confident0 Ų062.6 Ų62.60%038%0.377CS..Hα-helixtrans-63.3-39.3-179.7-67.7176.2000111.7T19 P20 L26 L27 L75 L79 A138 W141 V145T19-L23 PolarHBondContact O-N 3.25Å; P20-L23 PolarHBondContact O-N 3.35Å; L23-L26 PolarHBondContact O-N 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.42Å; L23-L27 PolarHBondContact O-N 2.98Å; L23-L27 VanDerWaalsContact O-N 3.1Å; L23-L75 HydrophobicContact CD2-CD2 4.44Å; L23-L75 HydrophobicContact CG-CD2 4.45Å; L23-L79 HydrophobicContact CD2-CD1 3.97Å; L23-L79 HydrophobicContact CD2-CD2 4.33Å; L23-A138 HydrophobicContact CD2-CB 4.14Å; L23-W141 HydrophobicContact CD1-CB 3.92Å; L23-V145 HydrophobicContact CD1-CG2 3.71Å
24D88.5Confident77.8Confident61 Ų6160.7 Ų60.733%0.32636%0.358SS..Hα-helixtrans-61-45.9174.4-70.9-23.6000111.6P20 F22 L27 Q28 Q142P20-D24 PolarHBondContact O-N 3.43Å; P20-D24 VanDerWaalsContact O-N 3.09Å; F22-D24 VanDerWaalsContact C-N 3.31Å; F22-D24 PolarHBondContact O-N 3.28Å; D24-L27 PolarHBondContact O-N 2.83Å; D24-Q28 WeakPolarHBondContact O-CB 3.38Å; D24-Q28 VanDerWaalsContact O-CG 3.23Å; D24-Q28 WeakPolarHBondContact O-CG 3.37Å; D24-Q28 PolarHBondContact O-N 3.49Å; D24-Q142 WeakPolarHBondContact OD1-CG 3.29Å; D24-Q142 PolarHBondContact OD1-NE2 3.35Å
25M89.6Confident80.1Confident102 Ų10262.5 Ų62.550%0.50236%0.363SS..Hα-helixtrans-63.1-45.1177.5-173.5-173.3-54.900111.8G21 F22 L27 Q28 D29G21-M25 WeakPolarHBondContact O-CB 3.38Å; G21-M25 PolarHBondContact O-N 2.85Å; G21-M25 VanDerWaalsContact O-N 3.15Å; F22-M25 PolarHBondContact O-N 2.85Å; M25-L27 VanDerWaalsContact C-N 3.32Å; M25-L27 PolarHBondContact O-N 2.81Å; M25-Q28 PolarHBondContact O-N 2.82Å; M25-D29 PolarHBondContact O-N 2.92Å
26L90.8Very high82.1Confident10 Ų1065.4 Ų65.45%0.05238%0.375CS..Hα-helixtrans-59.7-43-180-178.265.4000111.8F22 L23 F30 F65 L66 A138F22-L26 HydrophobicContact CE1-CB 4.34Å; F22-L26 HydrophobicContact CE1-CD2 4.04Å; F22-L26 HydrophobicContact CZ-CB 4.46Å; F22-L26 HydrophobicContact CZ-CD2 4.4Å; F22-L26 WeakPolarHBondContact O-CB 3.3Å; F22-L26 PolarHBondContact O-N 2.89Å; L23-L26 PolarHBondContact O-N 3.29Å; L26-F30 WeakPolarHBondContact O-CB 3.47Å; L26-F30 PolarHBondContact O-N 3Å; L26-F65 HydrophobicContact CD1-CE1 3.9Å; L26-F65 HydrophobicContact CD1-CZ 3.99Å; L26-L66 HydrophobicContact CD2-CD2 4.18Å; L26-A138 HydrophobicContact CD2-CB 4.04Å
27L91.1Very high83.9Confident25 Ų2570.4 Ų70.413%0.13139%0.387CS..Hα-helixtrans-76.8-22.5179.6-65.7169.2000113L23 D24 M25 F30 P31 W135 A138 Q142L23-L27 WeakPolarHBondContact O-CG 3.42Å; L23-L27 PolarHBondContact O-N 2.98Å; L23-L27 VanDerWaalsContact O-N 3.1Å; D24-L27 PolarHBondContact O-N 2.83Å; M25-L27 VanDerWaalsContact C-N 3.32Å; M25-L27 PolarHBondContact O-N 2.81Å; L27-F30 CarbonylContact O-C 3.23Å; L27-F30 VanDerWaalsContact O-C 3.23Å; L27-F30 VanDerWaalsContact O-O 3.12Å; L27-P31 VanDerWaalsContact O-CA 3.28Å; L27-P31 WeakPolarHBondContact O-CA 3.38Å; L27-W135 HydrophobicContact CD2-CG 4.3Å; L27-A138 HydrophobicContact CD2-CB 4.07Å; L27-A138 HydrophobicContact CG-CB 4.42Å; L27-Q142 HydrophobicContact CD1-CB 4.1Å; L27-Q142 HydrophobicContact CD1-CG 4.34Å
28Q88.7Confident85.9Confident148 Ų14865.4 Ų65.469%0.69237%0.365SS*.Hα-helixtrans-72.7-43.4170.6-76.1171.726.800111.6D24 M25 F30D24-Q28 WeakPolarHBondContact O-CB 3.38Å; D24-Q28 VanDerWaalsContact O-CG 3.23Å; D24-Q28 WeakPolarHBondContact O-CG 3.37Å; D24-Q28 PolarHBondContact O-N 3.49Å; M25-Q28 PolarHBondContact O-N 2.82Å; Q28-F30 PolarHBondContact O-N 2.8Å
29D84.9Confident87.2Confident105 Ų10565.2 Ų65.256%0.56137%0.373SS*.Hα-helixtrans-69.9-23.6176.1-73-9.9000112.2M25M25-D29 PolarHBondContact O-N 2.92Å
30F87Confident88.2Confident35 Ų3566.7 Ų66.715%0.15438%0.381CS..SBendtrans-130.875.5-179.1-146.3-112.2000110.4L26 L27 Q28 A32 L34 P41 W135L26-F30 WeakPolarHBondContact O-CB 3.47Å; L26-F30 PolarHBondContact O-N 3Å; L27-F30 CarbonylContact O-C 3.23Å; L27-F30 VanDerWaalsContact O-C 3.23Å; L27-F30 VanDerWaalsContact O-O 3.12Å; Q28-F30 PolarHBondContact O-N 2.8Å; F30-A32 VanDerWaalsContact C-N 3.31Å; F30-A32 PolarHBondContact O-N 3.03Å; F30-L34 HydrophobicContact CE1-CD2 4.33Å; F30-L34 HydrophobicContact CE1-CG 4.06Å; F30-L34 HydrophobicContact CE2-CD2 3.8Å; F30-L34 HydrophobicContact CE2-CG 4.37Å; F30-L34 HydrophobicContact CZ-CD1 3.92Å; F30-L34 HydrophobicContact CZ-CD2 3.35Å; F30-L34 HydrophobicContact CZ-CG 3.43Å; F30-L34 VanDerWaalsContact CZ-CG 3.43Å; F30-P41 HydrophobicContact CE2-CB 3.92Å; F30-P41 HydrophobicContact CE2-CG 4.01Å; F30-P41 HydrophobicContact CZ-CB 4.44Å; F30-P41 HydrophobicContact CZ-CG 4.01Å; F30-W135 HydrophobicContact CD1-CB 4.23Å; F30-W135 AromaticContact CD1-CD1 3.67Å; F30-W135 HydrophobicContact CD1-CG 4.18Å; F30-W135 HydrophobicContact CE1-CB 4.49Å; F30-W135 PolarHBondContact O-NE1 3.41Å
31P86.4Confident89.2Confident103 Ų10365.5 Ų65.567%0.66937%0.373SS*.  trans-76.6-14.4-167.429.6-36.3000114.5L27L27-P31 VanDerWaalsContact O-CA 3.28Å; L27-P31 WeakPolarHBondContact O-CA 3.38Å
32A90.9Very high89.6Confident53 Ų5368.2 Ų68.244%0.43837%0.372SS..SBendtrans-146.3157.9-178.800000111.1F30F30-A32 VanDerWaalsContact C-N 3.31Å; F30-A32 PolarHBondContact O-N 3.03Å
33P92.1Very high89.4Confident51 Ų5176.5 Ų76.533%0.33141%0.407SS..PPolyproline II helixtrans-57.1151.1168.1-21.432.3000112.2N132 W135P33-N132 HydrophobicContact CB-CB 4.44Å; P33-W135 HydrophobicContact CG-CD2 4.27Å; P33-W135 HydrophobicContact CG-CE3 3.71Å; P33-W135 HydrophobicContact CG-CH2 4.13Å; P33-W135 HydrophobicContact CG-CZ3 3.64Å
34L92.6Very high88.8Confident18 Ų1877.3 Ų77.39%0.09441%0.414CS..PPolyproline II helixtrans-67.3130.5173.4-63.1171.6000111.3F30 D38 L40 R128 F131 N132F30-L34 HydrophobicContact CE1-CD2 4.33Å; F30-L34 HydrophobicContact CE1-CG 4.06Å; F30-L34 HydrophobicContact CE2-CD2 3.8Å; F30-L34 HydrophobicContact CE2-CG 4.37Å; F30-L34 HydrophobicContact CZ-CD1 3.92Å; F30-L34 HydrophobicContact CZ-CD2 3.35Å; F30-L34 HydrophobicContact CZ-CG 3.43Å; F30-L34 VanDerWaalsContact CZ-CG 3.43Å; L34-D38 HydrophobicContact CB-CB 4.36Å; L34-D38 HydrophobicContact CD2-CB 3.8Å; L34-L40 HydrophobicContact CD1-CD2 4.17Å; L34-R128 HydrophobicContact CB-CG 3.8Å; L34-R128 HydrophobicContact CD1-CG 3.95Å; L34-F131 HydrophobicContact CD1-CB 3.74Å; L34-F131 HydrophobicContact CD1-CD2 4.44Å; L34-F131 HydrophobicContact CD1-CG 4.41Å; L34-N132 WeakPolarHBondContact CB-OD1 3.47Å; L34-N132 PolarHBondContact N-OD1 2.7Å; L34-N132 PolarHBondContact O-ND2 2.9Å; L34-N132 VanDerWaalsContact O-ND2 3.1Å
35N91.4Very high87.9Confident99 Ų9975.6 Ų75.653%0.52941%0.406SS..PPolyproline II helixtrans-77.7164.3164.1-56.9-72.3000110.6E37 D38 R128N35-E37 PolarHBondContact O-N 3.03Å; N35-D38 VanDerWaalsContact CB-OD2 3.3Å; N35-D38 WeakPolarHBondContact CB-OD2 3.48Å; N35-D38 PolarHBondContact N-OD2 3.18Å; N35-D38 PolarHBondContact ND2-OD2 3.21Å; N35-D38 PolarHBondContact O-N 2.85Å; N35-D38 VanDerWaalsContact O-N 3.09Å; N35-R128 WeakPolarHBondContact O-CD 3.38Å; N35-R128 PolarHBondContact O-NE 3.27Å
36P86.3Confident87.4Confident100 Ų10073.2 Ų73.265%0.64941%0.408SS*.THydrogen-bonded Turntrans-54.7-37.2179.1-28.536.6000114.3R128P36-R128 VanDerWaalsContact O-CZ 3.28Å; P36-R128 PolarHBondContact O-NE 3.34Å; P36-R128 PolarHBondContact O-NH2 2.97Å
37E86.9Confident86.9Confident177 Ų17778.7 Ų78.783%0.82744%0.435SS*.THydrogen-bonded Turntrans-84.7-10.9-177.9-56.3-54.1139.700113.7N35N35-E37 PolarHBondContact O-N 3.03Å
38D90.3Very high86.9Confident56 Ų5679.2 Ų79.230%0.29944%0.437SS..SBendtrans-70.9138.8-176.7-68.7-27.4000110.4L34 N35 R128L34-D38 HydrophobicContact CB-CB 4.36Å; L34-D38 HydrophobicContact CD2-CB 3.8Å; N35-D38 VanDerWaalsContact CB-OD2 3.3Å; N35-D38 WeakPolarHBondContact CB-OD2 3.48Å; N35-D38 PolarHBondContact N-OD2 3.18Å; N35-D38 PolarHBondContact ND2-OD2 3.21Å; N35-D38 PolarHBondContact O-N 2.85Å; N35-D38 VanDerWaalsContact O-N 3.09Å; D38-R128 PolarHBondContact O-NH2 3.11Å
39P90.9Very high87.1Confident109 Ų10972.2 Ų72.271%0.70841%0.405SS*.PPolyproline II helixtrans-66.2143.5174.528.7-34000110.1
40L91.6Very high87.5Confident38 Ų3867.8 Ų67.820%0.19938%0.382CS..PPolyproline II helixtrans-64.9138.4175.5-66.6175000110.4L34 W42 A44 Q124 A127 R128 F131L34-L40 HydrophobicContact CD1-CD2 4.17Å; L40-W42 WeakPolarHBondContact CB-O 3.29Å; L40-W42 PolarHBondContact O-N 3.4Å; L40-A44 HydrophobicContact CD1-CB 3.77Å; L40-Q124 HydrophobicContact CD1-CB 4.34Å; L40-Q124 HydrophobicContact CD1-CG 4.47Å; L40-A127 HydrophobicContact CD1-CB 3.88Å; L40-A127 HydrophobicContact CD2-CB 4.26Å; L40-R128 HydrophobicContact CD2-CB 3.8Å; L40-R128 HydrophobicContact CD2-CG 4.47Å; L40-F131 HydrophobicContact CD2-CD2 4.26Å
41P89.8Confident87.8Confident33 Ų3370.7 Ų70.721%0.21440%0.396CS..SBendtrans-74-7.7-178.632.7-38.3000113F30 F65 F131F30-P41 HydrophobicContact CE2-CB 3.92Å; F30-P41 HydrophobicContact CE2-CG 4.01Å; F30-P41 HydrophobicContact CZ-CB 4.44Å; F30-P41 HydrophobicContact CZ-CG 4.01Å; P41-F65 HydrophobicContact CB-CD2 4.4Å; P41-F65 HydrophobicContact CB-CE2 3.78Å; P41-F65 HydrophobicContact CG-CE2 4.14Å; P41-F131 HydrophobicContact CG-CB 4.42Å; P41-F131 HydrophobicContact CG-CD1 3.64Å; P41-F131 HydrophobicContact CG-CD2 3.65Å; P41-F131 HydrophobicContact CG-CE1 3.73Å; P41-F131 HydrophobicContact CG-CE2 3.73Å; P41-F131 HydrophobicContact CG-CG 3.63Å; P41-F131 HydrophobicContact CG-CZ 3.78Å
42W91.3Very high88.1Confident96 Ų9669.4 Ų69.436%0.36438%0.381SS..SBendtrans-145.8158.7173.1-157.2-102000110.6L40 A44 L61 F65 S68 F131L40-W42 WeakPolarHBondContact CB-O 3.29Å; L40-W42 PolarHBondContact O-N 3.4Å; W42-A44 PolarHBondContact O-N 3.07Å; W42-L61 HydrophobicContact CB-CD1 3.88Å; W42-L61 HydrophobicContact CG-CD1 4.1Å; W42-F65 HydrophobicContact CB-CB 4.1Å; W42-F65 HydrophobicContact CB-CD2 4.1Å; W42-F65 HydrophobicContact CD2-CB 4.09Å; W42-F65 HydrophobicContact CE3-CB 4.34Å; W42-F65 HydrophobicContact CE3-CD2 4.16Å; W42-F65 HydrophobicContact CG-CB 4.02Å; W42-S68 VanDerWaalsContact CZ3-CB 3.49Å; W42-S68 WeakPolarHBondContact CZ3-OG 3.37Å; W42-F131 HydrophobicContact CB-CE2 4.27Å; W42-F131 HydrophobicContact CB-CZ 3.71Å
43K86.6Confident88.4Confident187 Ų18767 Ų6781%0.81336%0.36SS*.  trans-68.6124.2-179.9-172.5178.6179.91800110.5L61K43-L61 WeakPolarHBondContact O-CD1 3.47Å
44A77.9Confident88.6Confident18 Ų1864.5 Ų64.515%0.14934%0.344CS..  trans-66.3151.417800000113.2L40 W42 G46 Q124 A127L40-A44 HydrophobicContact CD1-CB 3.77Å; W42-A44 PolarHBondContact O-N 3.07Å; A44-G46 VanDerWaalsContact C-N 3.35Å; A44-G46 PolarHBondContact O-N 3.32Å; A44-Q124 HydrophobicContact CB-CG 4.28Å; A44-A127 HydrophobicContact CB-CB 4.31Å
45P68.3Low88.8Confident24 Ų2465.4 Ų65.416%0.15635%0.348CS..SBendtrans-74.182.2175.330.1-33.9000111.1L49 E57P45-L49 HydrophobicContact CG-CD1 4.15Å; P45-E57 HydrophobicContact CB-CB 3.86Å; P45-E57 HydrophobicContact CB-CG 4.23Å; P45-E57 WeakPolarHBondContact CB-OE2 3.39Å; P45-E57 HydrophobicContact CG-CB 3.82Å
46G78.8Confident89.1Confident52 Ų5260.7 Ų60.754%0.53632%0.323SS..  trans70.3-158.3176.800000114.3A44A44-G46 VanDerWaalsContact C-N 3.35Å; A44-G46 PolarHBondContact O-N 3.32Å
47M82.1Confident89.6Confident126 Ų12657.1 Ų57.162%0.62130%0.298SS*.SBendtrans-101-41.7-178.4-65.3-176.767.300112.7A123M47-A123 WeakPolarHBondContact O-CB 3.43Å; M47-A123 PolarHBondContact O-N 3.44Å
48M90.8Very high90.1Very high35 Ų3548.8 Ų48.817%0.17226%0.259CS..EExtended strand (participates in β ladder)trans-129144.6-177.3-61.4-55.1130.500110.9K97 L120 L121M48-K97 HydrophobicContact CE-CD 3.11Å; M48-K97 HydrophobicContact SD-CB 4.02Å; M48-K97 HydrophobicContact SD-CD 3.37Å; M48-K97 WeakPolarHBondContact SD-CD 3.37Å; M48-K97 HydrophobicContact SD-CG 4.34Å; M48-L120 HydrophobicContact CB-CB 4.46Å; M48-L121 WeakPolarHBondContact CA-O 3.36Å
49L92.6Very high90.4Very high2 Ų246.3 Ų46.31%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-125.9141.7171.6-60-178.8000110.1P45 E53 E57 L120 L121 A123 L126P45-L49 HydrophobicContact CG-CD1 4.15Å; L49-E53 HydrophobicContact CB-CB 4.39Å; L49-E53 HydrophobicContact CD2-CB 4.34Å; L49-E57 HydrophobicContact CD1-CB 3.88Å; L49-E57 HydrophobicContact CD1-CG 4.25Å; L49-E57 HydrophobicContact CD2-CB 4.2Å; L49-E57 HydrophobicContact CD2-CG 3.7Å; L49-L120 CarbonylContact O-C 3.58Å; L49-L120 WeakPolarHBondContact O-CA 3.5Å; L49-L121 PolarHBondContact N-O 3.15Å; L49-L121 PolarHBondContact O-N 2.84Å; L49-A123 HydrophobicContact CD1-CB 4.32Å; L49-A123 HydrophobicContact CG-CB 3.94Å; L49-L126 HydrophobicContact CD1-CD1 4.24Å
50S93.1Very high90.7Very high12 Ų1245.9 Ų45.98%0.08424%0.235CC..EExtended strand (participates in β ladder)trans-76.4160.2160.265.80000110.5E52 E53 V54S50-E52 PolarHBondContact O-N 3.44Å; S50-E53 WeakPolarHBondContact CB-OE2 3.49Å; S50-E53 PolarHBondContact N-OE2 2.77Å; S50-E53 WeakPolarHBondContact O-CB 3.39Å; S50-E53 PolarHBondContact O-N 3.38Å; S50-E53 WeakPolarHBondContact OG-CG 3.4Å; S50-E53 PolarHBondContact OG-OE2 3.32Å; S50-V54 PolarHBondContact O-N 3.2Å
51Q92.5Very high90.9Very high95 Ų9544.4 Ų44.444%0.44423%0.227SC..G310 helixtrans-54.3-37.1177.1-172.37323.900112.7E53 V54Q51-E53 PolarHBondContact O-N 2.81Å; Q51-V54 PolarHBondContact O-N 3.5Å
52E93.8Very high91.3Very high76 Ų7642.9 Ų42.936%0.35522%0.217SC..G310 helixtrans-69.8-22.1-179.7-60.1-167.985.200112.8S50 R238 M242 R245S50-E52 PolarHBondContact O-N 3.44Å; E52-R238 IonicContact OE1-CZ 3.01Å; E52-R238 IonicContact OE1-NE 3.92Å; E52-R238 IonicContact OE1-NH2 3.89Å; E52-R238 PolarHBondContact OE1-NH2 3.41Å; E52-M242 HydrophobicContact CB-CE 3.77Å; E52-M242 HydrophobicContact CB-SD 4.26Å; E52-M242 WeakPolarHBondContact O-CE 3.45Å; E52-R245 IonicContact OE2-NH1 3.51Å; E52-R245 PolarHBondContact OE2-NH1 2.79Å
53E95.9Very high91.5Very high2 Ų240.6 Ų40.61%0.00921%0.211CC..G310 helixtrans-86.6-20.2-179-71.4163.3143.900112.8L49 S50 Q51 E55 G56 E57 Y209 M242 K246 R249L49-E53 HydrophobicContact CB-CB 4.39Å; L49-E53 HydrophobicContact CD2-CB 4.34Å; S50-E53 WeakPolarHBondContact CB-OE2 3.49Å; S50-E53 PolarHBondContact N-OE2 2.77Å; S50-E53 WeakPolarHBondContact O-CB 3.39Å; S50-E53 PolarHBondContact O-N 3.38Å; S50-E53 WeakPolarHBondContact OG-CG 3.4Å; S50-E53 PolarHBondContact OG-OE2 3.32Å; Q51-E53 PolarHBondContact O-N 2.81Å; E53-E55 PolarHBondContact O-N 3.43Å; E53-G56 PolarHBondContact O-N 2.94Å; E53-E57 HydrophobicContact CB-CG 4.12Å; E53-E57 WeakPolarHBondContact O-CB 3.26Å; E53-E57 WeakPolarHBondContact O-CG 3.37Å; E53-E57 PolarHBondContact O-N 3.36Å; E53-Y209 HydrophobicContact CG-CE2 4.07Å; E53-Y209 WeakPolarHBondContact CG-OH 3.22Å; E53-Y209 WeakPolarHBondContact OE1-CE2 3.41Å; E53-Y209 PolarHBondContact OE1-OH 3.17Å; E53-M242 HydrophobicContact CG-CE 4.16Å; E53-K246 WeakPolarHBondContact OE1-CD 3.46Å; E53-R249 IonicContact OE2-NH2 2.78Å
54V96.2Very high91.9Very high0 Ų032.8 Ų32.80%018%0.184CC..Hα-helixtrans-56.5-47.5-169.11780000112.5S50 Q51 L58 L88 L92 L121 L126S50-V54 PolarHBondContact O-N 3.2Å; Q51-V54 PolarHBondContact O-N 3.5Å; V54-L58 HydrophobicContact CG1-CD1 3.61Å; V54-L58 HydrophobicContact CG1-CG 4.19Å; V54-L58 VanDerWaalsContact O-CB 3.32Å; V54-L58 WeakPolarHBondContact O-CB 3.23Å; V54-L58 VanDerWaalsContact O-CG 3.22Å; V54-L58 WeakPolarHBondContact O-CG 3.34Å; V54-L58 PolarHBondContact O-N 2.59Å; V54-L88 HydrophobicContact CB-CD2 4.2Å; V54-L88 HydrophobicContact CG1-CD2 3.72Å; V54-L92 HydrophobicContact CG1-CD1 4.16Å; V54-L92 HydrophobicContact CG2-CD1 4.25Å; V54-L121 HydrophobicContact CG2-CD1 3.65Å; V54-L126 HydrophobicContact CG2-CD1 4.13Å
55E97.4Very high92.7Very high36 Ų3632.2 Ų32.217%0.16818%0.178CC..Hα-helixtrans-61.4-51.7-176.3-177.8168.1-157.200111.7E53 A59 V84 L88 T216 R220E53-E55 PolarHBondContact O-N 3.43Å; E55-A59 VanDerWaalsContact O-CB 3.28Å; E55-A59 WeakPolarHBondContact O-CB 3.15Å; E55-A59 PolarHBondContact O-N 2.83Å; E55-V84 HydrophobicContact CG-CG1 4.07Å; E55-L88 HydrophobicContact CB-CD1 3.94Å; E55-L88 HydrophobicContact CG-CD1 4.09Å; E55-T216 HydrophobicContact CB-CG2 4.21Å; E55-T216 HydrophobicContact CG-CG2 3.94Å; E55-R220 IonicContact OE1-CZ 3.55Å; E55-R220 IonicContact OE1-NE 3.76Å; E55-R220 PolarHBondContact OE1-NE 3.29Å; E55-R220 IonicContact OE1-NH2 2.64Å; E55-R220 PolarHBondContact OE1-NH2 3.44Å; E55-R220 IonicContact OE2-NE 3.82Å; E55-R220 PolarHBondContact OE2-NE 2.82Å
56G97.3Very high94Very high1 Ų131.1 Ų31.11%0.0117%0.171CC..Hα-helixtrans-64.9-45.3-178.100000112.1E53 L58 A59 E60 V212E53-G56 PolarHBondContact O-N 2.94Å; G56-L58 PolarHBondContact O-N 2.91Å; G56-A59 PolarHBondContact O-N 3.06Å; G56-E60 WeakPolarHBondContact O-CB 3.43Å; G56-E60 PolarHBondContact O-N 3.21Å; G56-V212 WeakPolarHBondContact O-CG1 3.45Å
57E97.4Very high94.7Very high25 Ų2530.7 Ų30.712%0.11717%0.167CC..Hα-helixtrans-68.3-36.3-176.7-65.3-69.8168.400112.4P45 L49 E53 L61 V212 H213P45-E57 HydrophobicContact CB-CB 3.86Å; P45-E57 HydrophobicContact CB-CG 4.23Å; P45-E57 WeakPolarHBondContact CB-OE2 3.39Å; P45-E57 HydrophobicContact CG-CB 3.82Å; L49-E57 HydrophobicContact CD1-CB 3.88Å; L49-E57 HydrophobicContact CD1-CG 4.25Å; L49-E57 HydrophobicContact CD2-CB 4.2Å; L49-E57 HydrophobicContact CD2-CG 3.7Å; E53-E57 HydrophobicContact CB-CG 4.12Å; E53-E57 WeakPolarHBondContact O-CB 3.26Å; E53-E57 WeakPolarHBondContact O-CG 3.37Å; E53-E57 PolarHBondContact O-N 3.36Å; E57-L61 VanDerWaalsContact O-CB 3.22Å; E57-L61 WeakPolarHBondContact O-CB 3.28Å; E57-L61 PolarHBondContact O-N 3.4Å; E57-V212 HydrophobicContact CG-CG1 4.48Å; E57-H213 IonicContact OE1-CD2 3.65Å; E57-H213 IonicContact OE1-CE1 2.89Å; E57-H213 IonicContact OE1-NE2 2.73Å; E57-H213 PolarHBondContact OE1-NE2 2.77Å
58L97.6Very high95.2Very high1 Ų127.7 Ų27.71%0.00516%0.158CC..Hα-helixtrans-73.4-35.9173.7-66.8-179000112.2V54 G56 L61 A62 V84 L87 F130V54-L58 HydrophobicContact CG1-CD1 3.61Å; V54-L58 HydrophobicContact CG1-CG 4.19Å; V54-L58 VanDerWaalsContact O-CB 3.32Å; V54-L58 WeakPolarHBondContact O-CB 3.23Å; V54-L58 VanDerWaalsContact O-CG 3.22Å; V54-L58 WeakPolarHBondContact O-CG 3.34Å; V54-L58 PolarHBondContact O-N 2.59Å; G56-L58 PolarHBondContact O-N 2.91Å; L58-L61 HydrophobicContact CD2-CD2 4.01Å; L58-L61 PolarHBondContact O-N 3.18Å; L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.29Å; L58-A62 PolarHBondContact O-N 3.3Å; L58-V84 HydrophobicContact CB-CG2 3.84Å; L58-L87 HydrophobicContact CD1-CD2 3.58Å; L58-F130 HydrophobicContact CB-CD2 4.29Å; L58-F130 HydrophobicContact CD1-CB 4.24Å; L58-F130 HydrophobicContact CD1-CD2 4.27Å; L58-F130 HydrophobicContact CD1-CG 4.44Å; L58-F130 HydrophobicContact CD2-CB 3.81Å; L58-F130 HydrophobicContact CD2-CD1 4.47Å; L58-F130 HydrophobicContact CD2-CD2 4.48Å; L58-F130 HydrophobicContact CD2-CG 3.98Å
59A97.5Very high95.2Very high5 Ų529.8 Ų29.84%0.04116%0.164CC..Hα-helixtrans-62.9-45.9174.100000111.4E55 G56 A62 M63 T80 L183E55-A59 VanDerWaalsContact O-CB 3.28Å; E55-A59 WeakPolarHBondContact O-CB 3.15Å; E55-A59 PolarHBondContact O-N 2.83Å; G56-A59 PolarHBondContact O-N 3.06Å; A59-A62 PolarHBondContact O-N 3.33Å; A59-M63 WeakPolarHBondContact O-CB 3.43Å; A59-M63 VanDerWaalsContact O-CG 3.25Å; A59-M63 WeakPolarHBondContact O-CG 3.48Å; A59-M63 PolarHBondContact O-N 2.89Å; A59-T80 HydrophobicContact CB-CG2 4.05Å; A59-L183 HydrophobicContact CB-CD1 4.4Å
60E96.6Very high95.2Very high100 Ų10038.7 Ų38.747%0.46720%0.203SC..Hα-helixtrans-61.4-46175.3-18064.3-16600111.6G56 A62 M63 G64 V212G56-E60 WeakPolarHBondContact O-CB 3.43Å; G56-E60 PolarHBondContact O-N 3.21Å; E60-A62 VanDerWaalsContact C-N 3.32Å; E60-A62 PolarHBondContact O-N 3.42Å; E60-M63 PolarHBondContact O-N 3.33Å; E60-G64 PolarHBondContact O-N 2.74Å; E60-V212 HydrophobicContact CB-CG1 4.21Å; E60-V212 HydrophobicContact CB-CG2 4.03Å; E60-V212 HydrophobicContact CG-CG2 3.83Å
61L96.4Very high95.1Very high7 Ų738.5 Ų38.54%0.03720%0.202CC..Hα-helixtrans-54.4-48.4175174.665.6000111.6W42 K43 E57 L58 F65 A127 F130 F131W42-L61 HydrophobicContact CB-CD1 3.88Å; W42-L61 HydrophobicContact CG-CD1 4.1Å; K43-L61 WeakPolarHBondContact O-CD1 3.47Å; E57-L61 VanDerWaalsContact O-CB 3.22Å; E57-L61 WeakPolarHBondContact O-CB 3.28Å; E57-L61 PolarHBondContact O-N 3.4Å; L58-L61 HydrophobicContact CD2-CD2 4.01Å; L58-L61 PolarHBondContact O-N 3.18Å; L61-F65 VanDerWaalsContact O-CB 3.31Å; L61-F65 WeakPolarHBondContact O-CB 3.14Å; L61-F65 PolarHBondContact O-N 2.85Å; L61-A127 HydrophobicContact CD2-CB 3.67Å; L61-F130 HydrophobicContact CD2-CD1 3.98Å; L61-F130 HydrophobicContact CD2-CE1 4.5Å; L61-F131 HydrophobicContact CD1-CE2 4.07Å; L61-F131 HydrophobicContact CD1-CZ 3.97Å; L61-F131 HydrophobicContact CD2-CE2 3.89Å; L61-F131 HydrophobicContact CD2-CZ 4.17Å; L61-F131 HydrophobicContact CG-CE2 4.12Å; L61-F131 HydrophobicContact CG-CZ 3.94Å
62A96.4Very high94.9Very high0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-67.4-48.4-178.100000112.3L58 A59 E60 G64 F65 L66 T80 F130L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.29Å; L58-A62 PolarHBondContact O-N 3.3Å; A59-A62 PolarHBondContact O-N 3.33Å; E60-A62 VanDerWaalsContact C-N 3.32Å; E60-A62 PolarHBondContact O-N 3.42Å; A62-G64 VanDerWaalsContact C-N 3.32Å; A62-G64 PolarHBondContact O-N 2.94Å; A62-F65 PolarHBondContact O-N 2.78Å; A62-L66 WeakPolarHBondContact O-CB 3.49Å; A62-L66 VanDerWaalsContact O-CG 3.3Å; A62-L66 WeakPolarHBondContact O-CG 3.3Å; A62-L66 PolarHBondContact O-N 3.48Å; A62-T80 HydrophobicContact CB-CG2 3.53Å; A62-T80 VanDerWaalsContact CB-OG1 3.28Å; A62-T80 WeakPolarHBondContact CB-OG1 3.47Å; A62-F130 HydrophobicContact CB-CE1 3.82Å; A62-F130 HydrophobicContact CB-CE2 4.33Å; A62-F130 HydrophobicContact CB-CZ 3.36Å
63M96Very high94.7Very high48 Ų4835.2 Ų35.224%0.23620%0.196CC..Hα-helixtrans-64-38.8-178.9-70.2-59.5-67.700111.2A59 E60 G67 A76 T80 L183A59-M63 WeakPolarHBondContact O-CB 3.43Å; A59-M63 VanDerWaalsContact O-CG 3.25Å; A59-M63 WeakPolarHBondContact O-CG 3.48Å; A59-M63 PolarHBondContact O-N 2.89Å; E60-M63 PolarHBondContact O-N 3.33Å; M63-G67 WeakPolarHBondContact O-CA 3.23Å; M63-G67 PolarHBondContact O-N 3.28Å; M63-A76 HydrophobicContact CE-CB 4.3Å; M63-A76 HydrophobicContact SD-CB 4.13Å; M63-T80 HydrophobicContact CG-CG2 4.44Å; M63-L183 HydrophobicContact CG-CD1 3.96Å; M63-L183 HydrophobicContact SD-CD1 3.97Å
64G94.9Very high94.3Very high24 Ų2436.9 Ų36.925%0.24721%0.207CC..Hα-helixtrans-62.1-48.7171.800000112.8E60 A62 S68E60-G64 PolarHBondContact O-N 2.74Å; A62-G64 VanDerWaalsContact C-N 3.32Å; A62-G64 PolarHBondContact O-N 2.94Å; G64-S68 WeakPolarHBondContact O-CB 3.46Å; G64-S68 PolarHBondContact O-N 2.98Å
65F95.1Very high94.1Very high6 Ų637 Ų373%0.02621%0.207CC..Hα-helixtrans-64.6-44-179.5168.8-100.6000113.9L26 P41 W42 L61 A62 S68 R69 F131 L134L26-F65 HydrophobicContact CD1-CE1 3.9Å; L26-F65 HydrophobicContact CD1-CZ 3.99Å; P41-F65 HydrophobicContact CB-CD2 4.4Å; P41-F65 HydrophobicContact CB-CE2 3.78Å; P41-F65 HydrophobicContact CG-CE2 4.14Å; W42-F65 HydrophobicContact CB-CB 4.1Å; W42-F65 HydrophobicContact CB-CD2 4.1Å; W42-F65 HydrophobicContact CD2-CB 4.09Å; W42-F65 HydrophobicContact CE3-CB 4.34Å; W42-F65 HydrophobicContact CE3-CD2 4.16Å; W42-F65 HydrophobicContact CG-CB 4.02Å; L61-F65 VanDerWaalsContact O-CB 3.31Å; L61-F65 WeakPolarHBondContact O-CB 3.14Å; L61-F65 PolarHBondContact O-N 2.85Å; A62-F65 PolarHBondContact O-N 2.78Å; F65-S68 PolarHBondContact O-OG 2.87Å; F65-R69 VanDerWaalsContact CE2-NH2 3.33Å; F65-R69 PolarHBondContact O-NH1 3.4Å; F65-R69 VanDerWaalsContact O-NH1 3.16Å; F65-F131 HydrophobicContact CB-CE1 4.14Å; F65-F131 HydrophobicContact CB-CZ 4.29Å; F65-F131 AromaticContact CD1-CE1 3.71Å; F65-F131 HydrophobicContact CD1-CE1 3.71Å; F65-F131 AromaticContact CD2-CE1 3.92Å; F65-F131 HydrophobicContact CD2-CE1 3.92Å; F65-F131 HydrophobicContact CD2-CZ 4.29Å; F65-F131 HydrophobicContact CE1-CD1 4.46Å; F65-F131 HydrophobicContact CE1-CE1 4.05Å; F65-F131 HydrophobicContact CE2-CE1 4.23Å; F65-F131 AromaticContact CG-CE1 3.65Å; F65-F131 HydrophobicContact CG-CE1 3.65Å; F65-F131 HydrophobicContact CG-CZ 4.16Å; F65-F131 HydrophobicContact CZ-CE1 4.31Å; F65-L134 HydrophobicContact CD1-CD2 4.01Å; F65-L134 HydrophobicContact CE1-CD2 3.99Å
66L95.4Very high93.9Very high0 Ų035.5 Ų35.50%020%0.201CC..Hα-helixtrans-73.7-40.7179.4-67.6172.1000110.6F22 L26 A62 S68 R69 K70 A71 A76 L79 L134F22-L66 HydrophobicContact CE1-CD2 4.2Å; F22-L66 HydrophobicContact CZ-CD2 3.98Å; L26-L66 HydrophobicContact CD2-CD2 4.18Å; A62-L66 WeakPolarHBondContact O-CB 3.49Å; A62-L66 VanDerWaalsContact O-CG 3.3Å; A62-L66 WeakPolarHBondContact O-CG 3.3Å; A62-L66 PolarHBondContact O-N 3.48Å; L66-S68 VanDerWaalsContact C-N 3.33Å; L66-S68 PolarHBondContact O-N 3.09Å; L66-R69 CarbonylContact O-C 3.49Å; L66-R69 PolarHBondContact O-N 2.82Å; L66-K70 PolarHBondContact O-N 2.91Å; L66-A71 HydrophobicContact CB-CB 3.82Å; L66-A71 VanDerWaalsContact O-CB 3.29Å; L66-A71 WeakPolarHBondContact O-CB 3.4Å; L66-A71 PolarHBondContact O-N 3.3Å; L66-A71 VanDerWaalsContact O-N 3.07Å; L66-A76 HydrophobicContact CB-CB 4.04Å; L66-A76 HydrophobicContact CD1-CB 4.16Å; L66-L79 HydrophobicContact CD1-CB 4.2Å; L66-L79 HydrophobicContact CD2-CD1 4.49Å; L66-L134 HydrophobicContact CD1-CD1 4.45Å; L66-L134 HydrophobicContact CD2-CD2 4.36Å
67G93.2Very high93.8Very high44 Ų4435.5 Ų35.545%0.45420%0.201SC..Hα-helixtrans-61.1-39.1175.100000112.7M63 R69 K70M63-G67 WeakPolarHBondContact O-CA 3.23Å; M63-G67 PolarHBondContact O-N 3.28Å; G67-R69 PolarHBondContact O-N 3.49Å; G67-R69 VanDerWaalsContact O-N 3.1Å; G67-K70 PolarHBondContact O-N 3.47Å
68S92.6Very high93.7Very high63 Ų6334.7 Ų34.744%0.44120%0.199SC..THydrogen-bonded Turntrans-62.9-18.8175.8890000113.5W42 G64 F65 L66W42-S68 VanDerWaalsContact CZ3-CB 3.49Å; W42-S68 WeakPolarHBondContact CZ3-OG 3.37Å; G64-S68 WeakPolarHBondContact O-CB 3.46Å; G64-S68 PolarHBondContact O-N 2.98Å; F65-S68 PolarHBondContact O-OG 2.87Å; L66-S68 VanDerWaalsContact C-N 3.33Å; L66-S68 PolarHBondContact O-N 3.09Å
69R92.1Very high93.6Very high78 Ų7834.7 Ų34.729%0.29420%0.199SC..THydrogen-bonded Turntrans-102.710.4176.1-70.6168.9175.567.32.9112.7F22 F65 L66 G67 A71F22-R69 HydrophobicContact CE2-CB 3.92Å; F22-R69 HydrophobicContact CZ-CB 4.42Å; F65-R69 VanDerWaalsContact CE2-NH2 3.33Å; F65-R69 PolarHBondContact O-NH1 3.4Å; F65-R69 VanDerWaalsContact O-NH1 3.16Å; L66-R69 CarbonylContact O-C 3.49Å; L66-R69 PolarHBondContact O-N 2.82Å; G67-R69 PolarHBondContact O-N 3.49Å; G67-R69 VanDerWaalsContact O-N 3.1Å; R69-A71 PolarHBondContact O-N 2.8Å
70K91.2Very high93.6Very high189 Ų18934.5 Ų34.582%0.82220%0.197SC*.THydrogen-bonded Turntrans58.236.2-180-53.3177.7178.4-178.30112.8L66 G67L66-K70 PolarHBondContact O-N 2.91Å; G67-K70 PolarHBondContact O-N 3.47Å
71A91.4Very high93.6Very high9 Ų931.7 Ų31.77%0.07418%0.184CC..  trans-55.5134.9170.800000110.1F22 L66 R69 A76F22-A71 HydrophobicContact CD1-CB 4.42Å; F22-A71 HydrophobicContact CD2-CB 4.23Å; F22-A71 HydrophobicContact CE1-CB 3.81Å; F22-A71 HydrophobicContact CE2-CB 3.6Å; F22-A71 HydrophobicContact CZ-CB 3.38Å; L66-A71 HydrophobicContact CB-CB 3.82Å; L66-A71 VanDerWaalsContact O-CB 3.29Å; L66-A71 WeakPolarHBondContact O-CB 3.4Å; L66-A71 PolarHBondContact O-N 3.3Å; L66-A71 VanDerWaalsContact O-N 3.07Å; R69-A71 PolarHBondContact O-N 2.8Å; A71-A76 HydrophobicContact CB-CB 3.83Å
72P89.3Confident93.6Very high18 Ų1833.8 Ų33.812%0.11719%0.193CC..  trans-53.6129.6171-26.434.3000110.2E18 L75 A76E18-P72 HydrophobicContact CB-CG 4.42Å; P72-L75 HydrophobicContact CB-CB 4.18Å; P72-L75 HydrophobicContact CG-CD2 4.49Å; P72-L75 WeakPolarHBondContact O-CA 3.32Å; P72-L75 WeakPolarHBondContact O-CB 3.19Å; P72-L75 PolarHBondContact O-N 3.08Å; P72-A76 PolarHBondContact O-N 2.89Å
73P88.4Confident93.7Very high84 Ų8433.8 Ų33.855%0.54519%0.193SC..Hα-helixtrans-55.8-42.5-169.7-25.732000115.4L75 A76 A77P73-L75 VanDerWaalsContact C-N 3.32Å; P73-L75 PolarHBondContact O-N 3.01Å; P73-A76 PolarHBondContact O-N 3.02Å; P73-A77 WeakPolarHBondContact O-CB 3.37Å; P73-A77 PolarHBondContact O-N 3.42Å
74P88.8Confident93.8Very high37 Ų3731.7 Ų31.724%0.2418%0.183CC..Hα-helixtrans-64.3-36.2176.6-22.634.8000112.9A78P74-A78 VanDerWaalsContact O-CB 3.29Å; P74-A78 WeakPolarHBondContact O-CB 3.18Å; P74-A78 PolarHBondContact O-N 3.43Å
75L91.1Very high93.9Very high2 Ų232.1 Ų32.11%0.0118%0.182CC..Hα-helixtrans-68-44.6175.4178.164.6000110.7T19 F22 L23 P72 P73 A77 A78 L79 W141 V145 A149T19-L75 HydrophobicContact CG2-CD1 3.89Å; T19-L75 HydrophobicContact CG2-CD2 3.78Å; T19-L75 HydrophobicContact CG2-CG 4.29Å; F22-L75 HydrophobicContact CB-CD2 4.36Å; F22-L75 HydrophobicContact CD1-CD2 3.57Å; F22-L75 HydrophobicContact CE1-CD2 4.3Å; F22-L75 HydrophobicContact CG-CD2 4.25Å; L23-L75 HydrophobicContact CD2-CD2 4.44Å; L23-L75 HydrophobicContact CG-CD2 4.45Å; P72-L75 HydrophobicContact CB-CB 4.18Å; P72-L75 HydrophobicContact CG-CD2 4.49Å; P72-L75 WeakPolarHBondContact O-CA 3.32Å; P72-L75 WeakPolarHBondContact O-CB 3.19Å; P72-L75 PolarHBondContact O-N 3.08Å; P73-L75 VanDerWaalsContact C-N 3.32Å; P73-L75 PolarHBondContact O-N 3.01Å; L75-A77 VanDerWaalsContact C-N 3.35Å; L75-A77 PolarHBondContact O-N 2.88Å; L75-A78 PolarHBondContact O-N 3.28Å; L75-L79 HydrophobicContact CD1-CD1 4.07Å; L75-L79 HydrophobicContact CD1-CG 4.03Å; L75-L79 HydrophobicContact CD2-CD1 4.48Å; L75-L79 HydrophobicContact CG-CD1 3.9Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 WeakPolarHBondContact O-CB 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.19Å; L75-L79 PolarHBondContact O-N 3.15Å; L75-W141 HydrophobicContact CD1-CE3 4.09Å; L75-W141 HydrophobicContact CD1-CZ3 4.16Å; L75-V145 HydrophobicContact CD1-CG1 4.43Å; L75-A149 HydrophobicContact CD1-CB 4.4Å
76A94.1Very high93.9Very high4 Ų433 Ų333%0.03319%0.187CC..Hα-helixtrans-59.7-46.8178.600000111.4M63 L66 A71 P72 P73 T80M63-A76 HydrophobicContact CE-CB 4.3Å; M63-A76 HydrophobicContact SD-CB 4.13Å; L66-A76 HydrophobicContact CB-CB 4.04Å; L66-A76 HydrophobicContact CD1-CB 4.16Å; A71-A76 HydrophobicContact CB-CB 3.83Å; P72-A76 PolarHBondContact O-N 2.89Å; P73-A76 PolarHBondContact O-N 3.02Å; A76-T80 VanDerWaalsContact O-CB 3.26Å; A76-T80 WeakPolarHBondContact O-CB 3.48Å; A76-T80 PolarHBondContact O-N 3.33Å; A76-T80 PolarHBondContact O-OG1 3.13Å
77A94.9Very high94Very high1 Ų133.2 Ų33.21%0.00819%0.188CC..Hα-helixtrans-61.7-46.4177.100000111.8P73 L75 T80 H81 Q182 L183P73-A77 WeakPolarHBondContact O-CB 3.37Å; P73-A77 PolarHBondContact O-N 3.42Å; L75-A77 VanDerWaalsContact C-N 3.35Å; L75-A77 PolarHBondContact O-N 2.88Å; A77-T80 WeakPolarHBondContact O-CB 3.13Å; A77-T80 PolarHBondContact O-N 3.15Å; A77-H81 WeakPolarHBondContact O-CB 3.24Å; A77-H81 PolarHBondContact O-N 3.33Å; A77-Q182 HydrophobicContact CB-CB 3.8Å; A77-L183 HydrophobicContact CB-CB 4.09Å
78A94.6Very high94.1Very high9 Ų933.9 Ų33.97%0.07418%0.18CC..Hα-helixtrans-68.6-40.9-17900000113.2P74 L75 T80 H81 E82 W141 A149P74-A78 VanDerWaalsContact O-CB 3.29Å; P74-A78 WeakPolarHBondContact O-CB 3.18Å; P74-A78 PolarHBondContact O-N 3.43Å; L75-A78 PolarHBondContact O-N 3.28Å; A78-T80 VanDerWaalsContact C-N 3.33Å; A78-H81 PolarHBondContact O-N 2.98Å; A78-E82 WeakPolarHBondContact O-CB 3.3Å; A78-E82 PolarHBondContact O-N 3.29Å; A78-W141 HydrophobicContact CB-CH2 3.8Å; A78-W141 HydrophobicContact CB-CZ3 3.9Å; A78-W141 WeakPolarHBondContact O-CH2 3.47Å; A78-A149 HydrophobicContact CB-CB 3.62Å
79L95.8Very high94.2Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-61.3-44.4173.8-78.2172.9000111.1F22 L23 L66 L75 E82 A83 L134 V137 W141F22-L79 HydrophobicContact CE1-CD1 4.37Å; L23-L79 HydrophobicContact CD2-CD1 3.97Å; L23-L79 HydrophobicContact CD2-CD2 4.33Å; L66-L79 HydrophobicContact CD1-CB 4.2Å; L66-L79 HydrophobicContact CD2-CD1 4.49Å; L75-L79 HydrophobicContact CD1-CD1 4.07Å; L75-L79 HydrophobicContact CD1-CG 4.03Å; L75-L79 HydrophobicContact CD2-CD1 4.48Å; L75-L79 HydrophobicContact CG-CD1 3.9Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 WeakPolarHBondContact O-CB 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.19Å; L75-L79 PolarHBondContact O-N 3.15Å; L79-E82 PolarHBondContact O-N 3.44Å; L79-A83 WeakPolarHBondContact O-CB 3.46Å; L79-A83 PolarHBondContact O-N 2.94Å; L79-L134 HydrophobicContact CB-CD1 3.96Å; L79-V137 HydrophobicContact CD2-CG1 3.72Å; L79-W141 HydrophobicContact CD2-CD2 3.98Å; L79-W141 HydrophobicContact CD2-CE3 3.43Å; L79-W141 VanDerWaalsContact CD2-CE3 3.43Å; L79-W141 HydrophobicContact CD2-CH2 4.43Å; L79-W141 HydrophobicContact CD2-CZ3 3.69Å; L79-W141 HydrophobicContact CG-CE3 4Å; L79-W141 HydrophobicContact CG-CZ3 3.86Å
80T97.3Very high94.3Very high1 Ų137 Ų371%0.00620%0.196CC..Hα-helixtrans-58.4-52.7176.9-62.40000110.3A59 A62 M63 A76 A77 A78 E82 A83 V84 L183A59-T80 HydrophobicContact CB-CG2 4.05Å; A62-T80 HydrophobicContact CB-CG2 3.53Å; A62-T80 VanDerWaalsContact CB-OG1 3.28Å; A62-T80 WeakPolarHBondContact CB-OG1 3.47Å; M63-T80 HydrophobicContact CG-CG2 4.44Å; A76-T80 VanDerWaalsContact O-CB 3.26Å; A76-T80 WeakPolarHBondContact O-CB 3.48Å; A76-T80 PolarHBondContact O-N 3.33Å; A76-T80 PolarHBondContact O-OG1 3.13Å; A77-T80 WeakPolarHBondContact O-CB 3.13Å; A77-T80 PolarHBondContact O-N 3.15Å; A78-T80 VanDerWaalsContact C-N 3.33Å; T80-E82 PolarHBondContact O-N 2.78Å; T80-A83 PolarHBondContact O-N 2.88Å; T80-V84 HydrophobicContact CG2-CG2 4.2Å; T80-V84 WeakPolarHBondContact O-CB 3.49Å; T80-V84 VanDerWaalsContact O-CG2 3.29Å; T80-V84 WeakPolarHBondContact O-CG2 3.4Å; T80-V84 PolarHBondContact O-N 3.43Å; T80-L183 HydrophobicContact CG2-CD1 3.58Å
81H97.1Very high94.3Very high42 Ų4233.3 Ų33.319%0.19419%0.185CC..Hα-helixtrans-55.1-52178.8175.758.9000112.5A77 A78 A83 V84 S85 Q182 L183 G185A77-H81 WeakPolarHBondContact O-CB 3.24Å; A77-H81 PolarHBondContact O-N 3.33Å; A78-H81 PolarHBondContact O-N 2.98Å; H81-A83 PolarHBondContact O-N 2.88Å; H81-V84 PolarHBondContact O-N 3.14Å; H81-S85 WeakPolarHBondContact O-CB 3.34Å; H81-S85 PolarHBondContact O-N 3.34Å; H81-Q182 WeakPolarHBondContact CB-O 3.43Å; H81-L183 WeakPolarHBondContact CB-O 3.38Å; H81-G185 WeakPolarHBondContact CE1-CA 3.39Å; H81-G185 PolarHBondContact ND1-N 3.05Å; H81-G185 WeakPolarHBondContact NE2-CA 3.46Å
82E97Very high94.3Very high50 Ų5033.2 Ų33.223%0.23418%0.183CC..Hα-helixtrans-61.8-44-176.9179.373.9179.800111.1A78 L79 T80 Q86 V137 R140 W141A78-E82 WeakPolarHBondContact O-CB 3.3Å; A78-E82 PolarHBondContact O-N 3.29Å; L79-E82 PolarHBondContact O-N 3.44Å; T80-E82 PolarHBondContact O-N 2.78Å; E82-Q86 VanDerWaalsContact O-CB 3.31Å; E82-Q86 WeakPolarHBondContact O-CB 3.39Å; E82-Q86 WeakPolarHBondContact O-CG 3.25Å; E82-Q86 PolarHBondContact O-N 3.24Å; E82-Q86 PolarHBondContact OE1-NE2 3.38Å; E82-V137 HydrophobicContact CB-CG1 4Å; E82-V137 HydrophobicContact CB-CG2 4.41Å; E82-V137 HydrophobicContact CG-CB 4.34Å; E82-V137 HydrophobicContact CG-CG1 3.61Å; E82-V137 HydrophobicContact CG-CG2 3.67Å; E82-R140 IonicContact OE1-CZ 3.33Å; E82-R140 IonicContact OE1-NH1 3.21Å; E82-R140 IonicContact OE1-NH2 2.8Å; E82-R140 PolarHBondContact OE1-NH2 3.16Å; E82-W141 HydrophobicContact CB-CH2 4.24Å; E82-W141 HydrophobicContact CB-CZ2 3.82Å; E82-W141 HydrophobicContact CG-CZ2 3.89Å
83A97.4Very high94.3Very high0 Ų034.5 Ų34.50%019%0.192CC..Hα-helixtrans-67.8-45.3179.900000112.4L79 T80 H81 L87 F130 R133 L134 V137L79-A83 WeakPolarHBondContact O-CB 3.46Å; L79-A83 PolarHBondContact O-N 2.94Å; T80-A83 PolarHBondContact O-N 2.88Å; H81-A83 PolarHBondContact O-N 2.88Å; A83-L87 PolarHBondContact O-N 3.42Å; A83-L87 VanDerWaalsContact O-N 3.13Å; A83-F130 HydrophobicContact CB-CD2 4.29Å; A83-F130 HydrophobicContact CB-CE2 3.61Å; A83-F130 HydrophobicContact CB-CZ 4.25Å; A83-R133 HydrophobicContact CB-CG 4.48Å; A83-L134 HydrophobicContact CB-CB 4.08Å; A83-L134 HydrophobicContact CB-CD1 4.09Å; A83-V137 HydrophobicContact CB-CG2 4.35Å
84V97.8Very high94.3Very high4 Ų436.9 Ų36.92%0.02420%0.196CC..Hα-helixtrans-64.6-49.9177.6173.50000110.6E55 L58 T80 H81 Q86 L87 L88 F130E55-V84 HydrophobicContact CG-CG1 4.07Å; L58-V84 HydrophobicContact CB-CG2 3.84Å; T80-V84 HydrophobicContact CG2-CG2 4.2Å; T80-V84 WeakPolarHBondContact O-CB 3.49Å; T80-V84 VanDerWaalsContact O-CG2 3.29Å; T80-V84 WeakPolarHBondContact O-CG2 3.4Å; T80-V84 PolarHBondContact O-N 3.43Å; H81-V84 PolarHBondContact O-N 3.14Å; V84-Q86 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 2.92Å; V84-L87 PolarHBondContact O-N 3.11Å; V84-L87 VanDerWaalsContact O-N 3.1Å; V84-L88 HydrophobicContact CG1-CD1 3.73Å; V84-L88 HydrophobicContact CG1-CG 4.12Å; V84-L88 WeakPolarHBondContact O-CG 3.21Å; V84-L88 PolarHBondContact O-N 3.42Å; V84-F130 HydrophobicContact CG2-CD2 4.08Å; V84-F130 HydrophobicContact CG2-CE2 3.63Å
85S96.9Very high94.5Very high33 Ų3336 Ų3623%0.23119%0.189CC..Hα-helixtrans-57-43179.8179.10000111.7H81 L88 Q89H81-S85 WeakPolarHBondContact O-CB 3.34Å; H81-S85 PolarHBondContact O-N 3.34Å; S85-L88 PolarHBondContact O-N 2.92Å; S85-Q89 VanDerWaalsContact O-CG 3.27Å; S85-Q89 WeakPolarHBondContact O-CG 3.25Å; S85-Q89 PolarHBondContact O-N 3.24Å; S85-Q89 PolarHBondContact O-NE2 3.36Å; S85-Q89 PolarHBondContact OG-NE2 2.85Å
86Q96.6Very high94.4Very high25 Ų2543.4 Ų43.412%0.11722%0.216CC..Hα-helixtrans-68.2-34.5178-75-175.11.700113.5E82 V84 R133E82-Q86 VanDerWaalsContact O-CB 3.31Å; E82-Q86 WeakPolarHBondContact O-CB 3.39Å; E82-Q86 WeakPolarHBondContact O-CG 3.25Å; E82-Q86 PolarHBondContact O-N 3.24Å; E82-Q86 PolarHBondContact OE1-NE2 3.38Å; V84-Q86 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 2.92Å; Q86-R133 HydrophobicContact CB-CG 4.08Å; Q86-R133 VanDerWaalsContact OE1-NH2 3.07Å
87L95.9Very high93.8Very high4 Ų447 Ų472%0.02123%0.232CC..Hα-helixtrans-71.5-40.1174.8-178.462.4000111.4L58 A83 V84 Q89 T90 L92 F95 S129 F130L58-L87 HydrophobicContact CD1-CD2 3.58Å; A83-L87 PolarHBondContact O-N 3.42Å; A83-L87 VanDerWaalsContact O-N 3.13Å; V84-L87 PolarHBondContact O-N 3.11Å; V84-L87 VanDerWaalsContact O-N 3.1Å; L87-Q89 PolarHBondContact O-N 3.34Å; L87-Q89 VanDerWaalsContact O-N 3.14Å; L87-T90 PolarHBondContact O-N 3.06Å; L87-T90 PolarHBondContact O-OG1 3.46Å; L87-L92 HydrophobicContact CD1-CD2 4.34Å; L87-L92 HydrophobicContact CG-CD2 4.31Å; L87-F95 HydrophobicContact CD1-CE2 4.5Å; L87-S129 WeakPolarHBondContact CD1-OG 3.49Å; L87-F130 HydrophobicContact CD2-CB 3.89Å
88L95.4Very high92.4Very high58 Ų5854.4 Ų54.430%0.30427%0.27SS..Hα-helixtrans-65-16.6176.6-67.9176.6000113.4V54 E55 V84 S85 L92V54-L88 HydrophobicContact CB-CD2 4.2Å; V54-L88 HydrophobicContact CG1-CD2 3.72Å; E55-L88 HydrophobicContact CB-CD1 3.94Å; E55-L88 HydrophobicContact CG-CD1 4.09Å; V84-L88 HydrophobicContact CG1-CD1 3.73Å; V84-L88 HydrophobicContact CG1-CG 4.12Å; V84-L88 WeakPolarHBondContact O-CG 3.21Å; V84-L88 PolarHBondContact O-N 3.42Å; S85-L88 PolarHBondContact O-N 2.92Å; L88-L92 HydrophobicContact CD2-CD1 4.23Å
89Q95.1Very high90.7Very high149 Ų14958.5 Ų58.570%0.69630%0.296SS*.THydrogen-bonded Turntrans-84.7-8.3173-70.9168.431.200113.5S85 L87S85-Q89 VanDerWaalsContact O-CG 3.27Å; S85-Q89 WeakPolarHBondContact O-CG 3.25Å; S85-Q89 PolarHBondContact O-N 3.24Å; S85-Q89 PolarHBondContact O-NE2 3.36Å; S85-Q89 PolarHBondContact OG-NE2 2.85Å; L87-Q89 PolarHBondContact O-N 3.34Å; L87-Q89 VanDerWaalsContact O-N 3.14Å
90T93.6Very high88.7Confident58 Ų5866 Ų6636%0.35632%0.324SS..SBendtrans-88.6167.1174.273.70000111.2L87 L92L87-T90 PolarHBondContact O-N 3.06Å; L87-T90 PolarHBondContact O-OG1 3.46Å; T90-L92 PolarHBondContact O-N 2.97Å
91D91.3Very high86.2Confident111 Ų11174.3 Ų74.359%0.59436%0.363SS*.  trans-76.1104.4173.7-178.811.6000110.4S93D91-S93 PolarHBondContact O-N 2.83Å; D91-S93 WeakPolarHBondContact OD1-CB 3.1Å; D91-S93 PolarHBondContact OD1-N 2.78Å; D91-S93 PolarHBondContact OD1-OG 2.77Å; D91-S93 VanDerWaalsContact OD1-OG 3.05Å; D91-S93 PolarHBondContact OD2-OG 3.5Å
92L92.9Very high83.6Confident7 Ų780.2 Ų80.24%0.03739%0.391CS..G310 helixtrans-73.2-1.6178.6-55.5-166.9000113.4V54 L87 L88 T90 E94 F95 L121 L126V54-L92 HydrophobicContact CG1-CD1 4.16Å; V54-L92 HydrophobicContact CG2-CD1 4.25Å; L87-L92 HydrophobicContact CD1-CD2 4.34Å; L87-L92 HydrophobicContact CG-CD2 4.31Å; L88-L92 HydrophobicContact CD2-CD1 4.23Å; T90-L92 PolarHBondContact O-N 2.97Å; L92-E94 PolarHBondContact O-N 2.68Å; L92-F95 HydrophobicContact CB-CD2 4.16Å; L92-F95 HydrophobicContact CD2-CD2 4.04Å; L92-F95 HydrophobicContact CD2-CE2 3.89Å; L92-F95 PolarHBondContact O-N 3.49Å; L92-L121 HydrophobicContact CB-CD1 4.19Å; L92-L121 HydrophobicContact CD1-CD1 4.11Å; L92-L126 HydrophobicContact CD2-CD2 4.25Å
93S88.8Confident81.1Confident45 Ų4583.9 Ų83.932%0.31541%0.407SS..G310 helixtrans-60.7-24.9178.580.70000113.3D91 F95 R96D91-S93 PolarHBondContact O-N 2.83Å; D91-S93 WeakPolarHBondContact OD1-CB 3.1Å; D91-S93 PolarHBondContact OD1-N 2.78Å; D91-S93 PolarHBondContact OD1-OG 2.77Å; D91-S93 VanDerWaalsContact OD1-OG 3.05Å; D91-S93 PolarHBondContact OD2-OG 3.5Å; S93-F95 PolarHBondContact O-N 3.08Å; S93-R96 VanDerWaalsContact O-CB 3.29Å; S93-R96 WeakPolarHBondContact O-CB 3.44Å; S93-R96 VanDerWaalsContact O-CG 3.26Å; S93-R96 WeakPolarHBondContact O-CG 3.3Å; S93-R96 PolarHBondContact O-N 3.42Å; S93-R96 VanDerWaalsContact O-N 3.15Å
94E89.1Confident78.5Confident134 Ų13491.6 Ų91.663%0.62644%0.444SS*.G310 helixtrans-63.9-23.5175.770.4-178.6146.500113.3L92L92-E94 PolarHBondContact O-N 2.68Å
95F91.2Very high75.7Confident19 Ų19100.1 Ų100.18%0.08348%0.483CS..G310 helixtrans-92.6-0.4179.2-52.4-72.1000112.9L87 L92 S93 K97 L121 D122 L126L87-F95 HydrophobicContact CD1-CE2 4.5Å; L92-F95 HydrophobicContact CB-CD2 4.16Å; L92-F95 HydrophobicContact CD2-CD2 4.04Å; L92-F95 HydrophobicContact CD2-CE2 3.89Å; L92-F95 PolarHBondContact O-N 3.49Å; S93-F95 PolarHBondContact O-N 3.08Å; F95-K97 PolarHBondContact O-N 3.04Å; F95-L121 HydrophobicContact CB-CB 4.2Å; F95-L121 HydrophobicContact CB-CD2 4.28Å; F95-L121 CarbonylContact O-C 3.54Å; F95-L121 VanDerWaalsContact O-CA 3.29Å; F95-L121 WeakPolarHBondContact O-CA 3.33Å; F95-D122 PolarHBondContact O-N 2.64Å; F95-L126 HydrophobicContact CB-CD2 4.13Å; F95-L126 HydrophobicContact CB-CG 3.97Å; F95-L126 HydrophobicContact CD1-CD2 4.19Å; F95-L126 HydrophobicContact CD1-CG 4.19Å; F95-L126 HydrophobicContact CD2-CD2 3.37Å; F95-L126 HydrophobicContact CD2-CG 4.11Å; F95-L126 HydrophobicContact CE2-CD2 3.79Å; F95-L126 HydrophobicContact CG-CD2 3.61Å; F95-L126 HydrophobicContact CG-CG 3.81Å; F95-L126 HydrophobicContact CZ-CD2 4.35Å
96R90.7Very high73.2Confident157 Ų157105.2 Ų105.259%0.59250%0.503SS*.BIsolated β-bridgetrans-59.9131.9-178.1-74.5176.4-179.7-171.40.2110.7S93 T119 L120 L121S93-R96 VanDerWaalsContact O-CB 3.29Å; S93-R96 WeakPolarHBondContact O-CB 3.44Å; S93-R96 VanDerWaalsContact O-CG 3.26Å; S93-R96 WeakPolarHBondContact O-CG 3.3Å; S93-R96 PolarHBondContact O-N 3.42Å; S93-R96 VanDerWaalsContact O-N 3.15Å; R96-T119 HydrophobicContact CG-CG2 3.65Å; R96-L120 WeakPolarHBondContact CA-O 3.37Å; R96-L121 HydrophobicContact CG-CD2 3.89Å
97K79.7Confident70.8Confident81 Ų81111.6 Ų111.635%0.35253%0.533SS..PPolyproline II helixtrans-103.4131.4169.2-147.3171.3-166148.20109.2M48 F95 L120 D122M48-K97 HydrophobicContact CE-CD 3.11Å; M48-K97 HydrophobicContact SD-CB 4.02Å; M48-K97 HydrophobicContact SD-CD 3.37Å; M48-K97 WeakPolarHBondContact SD-CD 3.37Å; M48-K97 HydrophobicContact SD-CG 4.34Å; F95-K97 PolarHBondContact O-N 3.04Å; K97-L120 PolarHBondContact N-O 3.38Å; K97-D122 IonicContact NZ-OD2 3.8Å; K97-D122 PolarHBondContact NZ-OD2 3.48Å
98L65.9Low68.1Low156 Ų156120.9 Ų120.982%0.81758%0.576SS**PPolyproline II helixtrans-66.3141.9170.8-68.9167.6000108.8R100L98-R100 PolarHBondContact O-N 3.27Å
99P59.6Low65.5Low94 Ų94124.5 Ų124.561%0.6160%0.596SS**PPolyproline II helixtrans-51.8138.5168.6-20.330.9000109.2
100R53.2Low63Low159 Ų159125.6 Ų125.660%0.661%0.607SS**PPolyproline II helixtrans-72.6137.2171.2-78-178.7172.8178.6-3.1107.8L98 E102 E103L98-R100 PolarHBondContact O-N 3.27Å; R100-E102 PolarHBondContact O-N 3.01Å; R100-E103 PolarHBondContact O-N 3.28Å
101E44.4Very low60.7Low175 Ų175130 Ų13082%0.81863%0.628SS**G310 helixtrans-54-16.4178.1-64.9173.9166.100113.6E103E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 3.33Å
102E42.5Very low58.5Low166 Ų166134.3 Ų134.378%0.77665%0.645SS**G310 helixtrans-76.2-11.7176.9-63.7176.7170.600114.3R100R100-E102 PolarHBondContact O-N 3.01Å
103E46.2Very low56.3Low126 Ų126140.7 Ų140.759%0.58967%0.674SS**G310 helixtrans-90.1-4.6179-68.6179.5179.700113.3R100 E101R100-E103 PolarHBondContact O-N 3.28Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 3.33Å
104E42.2Very low54.2Low162 Ų162148.5 Ų148.576%0.75771%0.706SS**THydrogen-bonded Turntrans-85.7-7.1-178.2-68.2-173.7171.600114.5
105E39.3Very low52.5Low183 Ų183149.1 Ų149.186%0.85571%0.706SS**THydrogen-bonded Turntrans-90.5-1.7-174.5-72.5-166.6169.200116
106E43.6Very low50.6Low141 Ų141152.2 Ų152.266%0.65974%0.736SS**SBendtrans-138.240-174.7-66.2-171.616600115.8R251E106-R251 IonicContact OE2-CZ 3.7Å; E106-R251 IonicContact OE2-NH1 2.77Å; E106-R251 IonicContact OE2-NH2 2.73Å; E106-R251 PolarHBondContact OE2-NH2 3.21Å
107E45.5Very low49.3Very low158 Ų158150.5 Ų150.574%0.73875%0.745SS**  trans-121.467.3164.8-66.6-156.3166.900111.8
108E40Very low49Very low199 Ų199150.1 Ų150.193%0.9375%0.749SS**  trans-95.375149.6-75.8-173.6174.800107.8
109D41.5Very low49.8Very low135 Ų135145.5 Ų145.572%0.72273%0.727SS**  trans-121.7112.7163.7-97.2-25.6000108.1D111D109-D111 PolarHBondContact O-N 3.19Å
110D42Very low51.4Low171 Ų171142.5 Ų142.591%0.91471%0.706SS**  trans-68.847.8-176.9-84.6-33.8000113.9
111D45.6Very low53.3Low151 Ų151134.9 Ų134.981%0.80768%0.678SS**  trans-111.697.2169.5-80-35.5000110.4D109 E113D109-D111 PolarHBondContact O-N 3.19Å; D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 3.12Å
112E44.5Very low55.6Low201 Ų201127.9 Ų127.994%0.93965%0.645SS**  trans-58.981.3172.1-69.9-176.8158.200112.1
113E46.6Very low58Low141 Ų141120 Ų12066%0.65961%0.609SS**  trans-133.898.7151.7-97.3-169.2171.600108.7D111 K115D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 3.12Å; E113-K115 PolarHBondContact O-N 2.77Å; E113-K115 WeakPolarHBondContact OE2-CE 3.47Å; E113-K115 IonicContact OE2-NZ 3.97Å; E113-K115 PolarHBondContact OE2-NZ 3.14Å
114E45.3Very low60.2Low210 Ų210118.9 Ų118.998%0.98160%0.603SS**  trans-53.684167.4-76.3-174.8148.600110.5
115K52.9Low62.6Low146 Ų146113.3 Ų113.364%0.63558%0.583SS**  trans-94115.2166-80.1178.8-178.2127.90107.5E113E113-K115 PolarHBondContact O-N 2.77Å; E113-K115 WeakPolarHBondContact OE2-CE 3.47Å; E113-K115 IonicContact OE2-NZ 3.97Å; E113-K115 PolarHBondContact OE2-NZ 3.14Å
116A52.5Low65.3Low85 Ų85104.6 Ų104.670%0.70254%0.542SS*.  trans-44.6140.1174.500000110.7V118A116-V118 PolarHBondContact O-N 3.36Å; A116-V118 VanDerWaalsContact O-N 3.17Å
117P62.9Low67.7Low120 Ų12097.9 Ų97.978%0.77951%0.511SS*.  trans-54.1125.3-176.319.9-31.4000110.1T119P117-T119 PolarHBondContact O-N 2.97Å; P117-T119 VanDerWaalsContact O-N 3.1Å
118V73.1Confident70.1Confident74 Ų7492.4 Ų92.445%0.44848%0.483SS..  trans-61.2117.6177.9178.20000107.5A116 L120A116-V118 PolarHBondContact O-N 3.36Å; A116-V118 VanDerWaalsContact O-N 3.17Å; V118-L120 HydrophobicContact CG1-CD2 4.11Å; V118-L120 PolarHBondContact O-N 3.15Å; V118-L120 VanDerWaalsContact O-N 3.16Å
119T83.4Confident72.7Confident58 Ų5884.6 Ų84.636%0.35645%0.45SS..  trans-68.2115.4176.4-60.90000109.1R96 P117 L121R96-T119 HydrophobicContact CG-CG2 3.65Å; P117-T119 PolarHBondContact O-N 2.97Å; P117-T119 VanDerWaalsContact O-N 3.1Å; T119-L121 HydrophobicContact CG2-CD2 4.24Å
120L91.4Very high75.3Confident31 Ų3178.1 Ų78.116%0.16242%0.416CS..EExtended strand (participates in β ladder)trans-98.1140.3177.1-60.7178000110.8M48 L49 R96 K97 V118M48-L120 HydrophobicContact CB-CB 4.46Å; L49-L120 CarbonylContact O-C 3.58Å; L49-L120 WeakPolarHBondContact O-CA 3.5Å; R96-L120 WeakPolarHBondContact CA-O 3.37Å; K97-L120 PolarHBondContact N-O 3.38Å; V118-L120 HydrophobicContact CG1-CD2 4.11Å; V118-L120 PolarHBondContact O-N 3.15Å; V118-L120 VanDerWaalsContact O-N 3.16Å
121L93.5Very high77.9Confident0 Ų070.1 Ų70.10%037%0.373CS..EExtended strand (participates in β ladder)trans-116.5141.4-178.6-52177.4000109.6M48 L49 V54 L92 F95 R96 T119 A123 L126M48-L121 WeakPolarHBondContact CA-O 3.36Å; L49-L121 PolarHBondContact N-O 3.15Å; L49-L121 PolarHBondContact O-N 2.84Å; V54-L121 HydrophobicContact CG2-CD1 3.65Å; L92-L121 HydrophobicContact CB-CD1 4.19Å; L92-L121 HydrophobicContact CD1-CD1 4.11Å; F95-L121 HydrophobicContact CB-CB 4.2Å; F95-L121 HydrophobicContact CB-CD2 4.28Å; F95-L121 CarbonylContact O-C 3.54Å; F95-L121 VanDerWaalsContact O-CA 3.29Å; F95-L121 WeakPolarHBondContact O-CA 3.33Å; R96-L121 HydrophobicContact CG-CD2 3.89Å; T119-L121 HydrophobicContact CG2-CD2 4.24Å; L121-A123 PolarHBondContact O-N 3.23Å; L121-L126 HydrophobicContact CB-CD1 3.5Å; L121-L126 VanDerWaalsContact CB-CD1 3.5Å; L121-L126 HydrophobicContact CB-CG 4.36Å; L121-L126 HydrophobicContact CD1-CD1 3.84Å; L121-L126 HydrophobicContact CG-CD1 4.33Å
122D93.3Very high80.3Confident27 Ų2764.6 Ų64.614%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-69.8111.2176.6-174.2-93.8000110.5F95 K97 Q124 S125 L126F95-D122 PolarHBondContact O-N 2.64Å; K97-D122 IonicContact NZ-OD2 3.8Å; K97-D122 PolarHBondContact NZ-OD2 3.48Å; D122-Q124 VanDerWaalsContact C-N 3.28Å; D122-Q124 PolarHBondContact O-N 3.46Å; D122-Q124 PolarHBondContact OD1-N 2.83Å; D122-S125 PolarHBondContact O-N 2.93Å; D122-S125 VanDerWaalsContact OD1-CB 3.29Å; D122-S125 WeakPolarHBondContact OD1-CB 3.16Å; D122-S125 PolarHBondContact OD1-N 3.3Å; D122-S125 PolarHBondContact OD1-OG 2.93Å; D122-L126 PolarHBondContact O-N 3.2Å
123A93Very high82.8Confident0 Ų058.7 Ų58.70%031%0.312CS..Hα-helixtrans-63.7-33.4-172.200000112.8M47 L49 L121 A127M47-A123 WeakPolarHBondContact O-CB 3.43Å; M47-A123 PolarHBondContact O-N 3.44Å; L49-A123 HydrophobicContact CD1-CB 4.32Å; L49-A123 HydrophobicContact CG-CB 3.94Å; L121-A123 PolarHBondContact O-N 3.23Å; A123-A127 VanDerWaalsContact O-CB 3.25Å; A123-A127 WeakPolarHBondContact O-CB 3.2Å; A123-A127 PolarHBondContact O-N 3.08Å
124Q92.8Very high85.2Confident103 Ų10352.1 Ų52.148%0.48128%0.282SS..Hα-helixtrans-72.5-41.9-179.5-66.3-171.36.100111.7L40 A44 D122 A127 R128L40-Q124 HydrophobicContact CD1-CB 4.34Å; L40-Q124 HydrophobicContact CD1-CG 4.47Å; A44-Q124 HydrophobicContact CB-CG 4.28Å; D122-Q124 VanDerWaalsContact C-N 3.28Å; D122-Q124 PolarHBondContact O-N 3.46Å; D122-Q124 PolarHBondContact OD1-N 2.83Å; Q124-A127 PolarHBondContact O-N 2.87Å; Q124-R128 WeakPolarHBondContact O-CB 3.36Å; Q124-R128 PolarHBondContact O-N 3.44Å
125S93.1Very high87.5Confident46 Ų4645.5 Ų45.532%0.32225%0.248SC..Hα-helixtrans-65.7-42.1177.3-56.90000111.3D122 R128 S129D122-S125 PolarHBondContact O-N 2.93Å; D122-S125 VanDerWaalsContact OD1-CB 3.29Å; D122-S125 WeakPolarHBondContact OD1-CB 3.16Å; D122-S125 PolarHBondContact OD1-N 3.3Å; D122-S125 PolarHBondContact OD1-OG 2.93Å; S125-R128 PolarHBondContact O-N 3.3Å; S125-S129 PolarHBondContact O-N 3.04Å
126L94.1Very high89.6Confident0 Ų042.3 Ų42.30%024%0.235CC..Hα-helixtrans-59.5-49.5171.3-81.9171.4000112.3L49 V54 L92 F95 L121 D122 R128 S129 F130L49-L126 HydrophobicContact CD1-CD1 4.24Å; V54-L126 HydrophobicContact CG2-CD1 4.13Å; L92-L126 HydrophobicContact CD2-CD2 4.25Å; F95-L126 HydrophobicContact CB-CD2 4.13Å; F95-L126 HydrophobicContact CB-CG 3.97Å; F95-L126 HydrophobicContact CD1-CD2 4.19Å; F95-L126 HydrophobicContact CD1-CG 4.19Å; F95-L126 HydrophobicContact CD2-CD2 3.37Å; F95-L126 HydrophobicContact CD2-CG 4.11Å; F95-L126 HydrophobicContact CE2-CD2 3.79Å; F95-L126 HydrophobicContact CG-CD2 3.61Å; F95-L126 HydrophobicContact CG-CG 3.81Å; F95-L126 HydrophobicContact CZ-CD2 4.35Å; L121-L126 HydrophobicContact CB-CD1 3.5Å; L121-L126 VanDerWaalsContact CB-CD1 3.5Å; L121-L126 HydrophobicContact CB-CG 4.36Å; L121-L126 HydrophobicContact CD1-CD1 3.84Å; L121-L126 HydrophobicContact CG-CD1 4.33Å; D122-L126 PolarHBondContact O-N 3.2Å; L126-R128 VanDerWaalsContact C-N 3.27Å; L126-R128 PolarHBondContact O-N 2.91Å; L126-S129 PolarHBondContact O-N 3.15Å; L126-F130 WeakPolarHBondContact O-CB 3.46Å; L126-F130 PolarHBondContact O-N 3.34Å
127A95.5Very high91.6Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-58.9-39.2178.600000112L40 A44 L61 A123 Q124 F130 F131L40-A127 HydrophobicContact CD1-CB 3.88Å; L40-A127 HydrophobicContact CD2-CB 4.26Å; A44-A127 HydrophobicContact CB-CB 4.31Å; L61-A127 HydrophobicContact CD2-CB 3.67Å; A123-A127 VanDerWaalsContact O-CB 3.25Å; A123-A127 WeakPolarHBondContact O-CB 3.2Å; A123-A127 PolarHBondContact O-N 3.08Å; Q124-A127 PolarHBondContact O-N 2.87Å; A127-F130 WeakPolarHBondContact O-CB 3.3Å; A127-F130 PolarHBondContact O-N 3.39Å; A127-F131 WeakPolarHBondContact O-CD2 3.3Å; A127-F131 PolarHBondContact O-N 3.13Å
128R95Very high93.1Very high43 Ų4332.5 Ų32.516%0.16217%0.165CC..Hα-helixtrans-64.5-49.6176-173.3174.1-70.695.7-0.4111.9L34 N35 P36 D38 L40 Q124 S125 L126 F130 F131 N132L34-R128 HydrophobicContact CB-CG 3.8Å; L34-R128 HydrophobicContact CD1-CG 3.95Å; N35-R128 WeakPolarHBondContact O-CD 3.38Å; N35-R128 PolarHBondContact O-NE 3.27Å; P36-R128 VanDerWaalsContact O-CZ 3.28Å; P36-R128 PolarHBondContact O-NE 3.34Å; P36-R128 PolarHBondContact O-NH2 2.97Å; D38-R128 PolarHBondContact O-NH2 3.11Å; L40-R128 HydrophobicContact CD2-CB 3.8Å; L40-R128 HydrophobicContact CD2-CG 4.47Å; Q124-R128 WeakPolarHBondContact O-CB 3.36Å; Q124-R128 PolarHBondContact O-N 3.44Å; S125-R128 PolarHBondContact O-N 3.3Å; L126-R128 VanDerWaalsContact C-N 3.27Å; L126-R128 PolarHBondContact O-N 2.91Å; R128-F130 VanDerWaalsContact C-N 3.25Å; R128-F130 PolarHBondContact O-N 2.78Å; R128-F131 PolarHBondContact O-N 3.27Å; R128-N132 PolarHBondContact O-N 3.18Å
129S95.3Very high94.1Very high34 Ų3430.1 Ų30.124%0.23816%0.155CC..Hα-helixtrans-57.6-43.2176.4-172.40000111L87 S125 L126 N132 R133L87-S129 WeakPolarHBondContact CD1-OG 3.49Å; S125-S129 PolarHBondContact O-N 3.04Å; L126-S129 PolarHBondContact O-N 3.15Å; S129-N132 PolarHBondContact O-N 3.34Å; S129-R133 PolarHBondContact O-N 3.14Å
130F96.3Very high94.5Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-57.8-49.4173.8168.6-96.9000112.8L58 L61 A62 A83 V84 L87 L126 A127 R128 N132 R133 L134L58-F130 HydrophobicContact CB-CD2 4.29Å; L58-F130 HydrophobicContact CD1-CB 4.24Å; L58-F130 HydrophobicContact CD1-CD2 4.27Å; L58-F130 HydrophobicContact CD1-CG 4.44Å; L58-F130 HydrophobicContact CD2-CB 3.81Å; L58-F130 HydrophobicContact CD2-CD1 4.47Å; L58-F130 HydrophobicContact CD2-CD2 4.48Å; L58-F130 HydrophobicContact CD2-CG 3.98Å; L61-F130 HydrophobicContact CD2-CD1 3.98Å; L61-F130 HydrophobicContact CD2-CE1 4.5Å; A62-F130 HydrophobicContact CB-CE1 3.82Å; A62-F130 HydrophobicContact CB-CE2 4.33Å; A62-F130 HydrophobicContact CB-CZ 3.36Å; A83-F130 HydrophobicContact CB-CD2 4.29Å; A83-F130 HydrophobicContact CB-CE2 3.61Å; A83-F130 HydrophobicContact CB-CZ 4.25Å; V84-F130 HydrophobicContact CG2-CD2 4.08Å; V84-F130 HydrophobicContact CG2-CE2 3.63Å; L87-F130 HydrophobicContact CD2-CB 3.89Å; L126-F130 WeakPolarHBondContact O-CB 3.46Å; L126-F130 PolarHBondContact O-N 3.34Å; A127-F130 WeakPolarHBondContact O-CB 3.3Å; A127-F130 PolarHBondContact O-N 3.39Å; R128-F130 VanDerWaalsContact C-N 3.25Å; R128-F130 PolarHBondContact O-N 2.78Å; F130-N132 VanDerWaalsContact C-N 3.3Å; F130-N132 PolarHBondContact O-N 2.94Å; F130-R133 CarbonylContact O-C 3.5Å; F130-R133 WeakPolarHBondContact O-CA 3.38Å; F130-R133 WeakPolarHBondContact O-CB 3.2Å; F130-R133 PolarHBondContact O-N 2.97Å; F130-L134 HydrophobicContact CE1-CB 4.39Å; F130-L134 HydrophobicContact CE1-CD2 4.12Å; F130-L134 HydrophobicContact CZ-CB 4.2Å; F130-L134 HydrophobicContact CZ-CD2 4.16Å; F130-L134 PolarHBondContact O-N 3.45Å
131F96.3Very high94.6Very high3 Ų332.3 Ų32.31%0.01316%0.155CC..Hα-helixtrans-63.6-35.9179.7-82.4-61.6000112.8L34 L40 P41 W42 L61 F65 A127 R128 R133 L134 W135L34-F131 HydrophobicContact CD1-CB 3.74Å; L34-F131 HydrophobicContact CD1-CD2 4.44Å; L34-F131 HydrophobicContact CD1-CG 4.41Å; L40-F131 HydrophobicContact CD2-CD2 4.26Å; P41-F131 HydrophobicContact CG-CB 4.42Å; P41-F131 HydrophobicContact CG-CD1 3.64Å; P41-F131 HydrophobicContact CG-CD2 3.65Å; P41-F131 HydrophobicContact CG-CE1 3.73Å; P41-F131 HydrophobicContact CG-CE2 3.73Å; P41-F131 HydrophobicContact CG-CG 3.63Å; P41-F131 HydrophobicContact CG-CZ 3.78Å; W42-F131 HydrophobicContact CB-CE2 4.27Å; W42-F131 HydrophobicContact CB-CZ 3.71Å; L61-F131 HydrophobicContact CD1-CE2 4.07Å; L61-F131 HydrophobicContact CD1-CZ 3.97Å; L61-F131 HydrophobicContact CD2-CE2 3.89Å; L61-F131 HydrophobicContact CD2-CZ 4.17Å; L61-F131 HydrophobicContact CG-CE2 4.12Å; L61-F131 HydrophobicContact CG-CZ 3.94Å; F65-F131 HydrophobicContact CB-CE1 4.14Å; F65-F131 HydrophobicContact CB-CZ 4.29Å; F65-F131 AromaticContact CD1-CE1 3.71Å; F65-F131 HydrophobicContact CD1-CE1 3.71Å; F65-F131 AromaticContact CD2-CE1 3.92Å; F65-F131 HydrophobicContact CD2-CE1 3.92Å; F65-F131 HydrophobicContact CD2-CZ 4.29Å; F65-F131 HydrophobicContact CE1-CD1 4.46Å; F65-F131 HydrophobicContact CE1-CE1 4.05Å; F65-F131 HydrophobicContact CE2-CE1 4.23Å; F65-F131 AromaticContact CG-CE1 3.65Å; F65-F131 HydrophobicContact CG-CE1 3.65Å; F65-F131 HydrophobicContact CG-CZ 4.16Å; F65-F131 HydrophobicContact CZ-CE1 4.31Å; A127-F131 WeakPolarHBondContact O-CD2 3.3Å; A127-F131 PolarHBondContact O-N 3.13Å; R128-F131 PolarHBondContact O-N 3.27Å; F131-R133 VanDerWaalsContact C-N 3.3Å; F131-R133 PolarHBondContact O-N 3.19Å; F131-L134 HydrophobicContact CD1-CD2 4.17Å; F131-L134 HydrophobicContact CE1-CD2 4.37Å; F131-L134 PolarHBondContact O-N 3.26Å; F131-W135 WeakPolarHBondContact O-CB 3.32Å; F131-W135 PolarHBondContact O-N 2.95Å
132N95.9Very high94.3Very high34 Ų3436.8 Ų36.818%0.18218%0.175CC..Hα-helixtrans-62.4-41.9172.3-70.8-6.7000110.8P33 L34 R128 S129 F130 W135 E136P33-N132 HydrophobicContact CB-CB 4.44Å; L34-N132 WeakPolarHBondContact CB-OD1 3.47Å; L34-N132 PolarHBondContact N-OD1 2.7Å; L34-N132 PolarHBondContact O-ND2 2.9Å; L34-N132 VanDerWaalsContact O-ND2 3.1Å; R128-N132 PolarHBondContact O-N 3.18Å; S129-N132 PolarHBondContact O-N 3.34Å; F130-N132 VanDerWaalsContact C-N 3.3Å; F130-N132 PolarHBondContact O-N 2.94Å; N132-W135 WeakPolarHBondContact O-CB 3.39Å; N132-W135 PolarHBondContact O-N 3.11Å; N132-E136 WeakPolarHBondContact O-CG 3.29Å; N132-E136 PolarHBondContact O-N 3.4Å
133R96.4Very high93.8Very high77 Ų7744.4 Ų44.429%0.29121%0.207SC..Hα-helixtrans-65.7-43.2176-160.158.6162.8179.7-2.5112.8A83 Q86 S129 F130 F131 W135 E136 V137A83-R133 HydrophobicContact CB-CG 4.48Å; Q86-R133 HydrophobicContact CB-CG 4.08Å; Q86-R133 VanDerWaalsContact OE1-NH2 3.07Å; S129-R133 PolarHBondContact O-N 3.14Å; F130-R133 CarbonylContact O-C 3.5Å; F130-R133 WeakPolarHBondContact O-CA 3.38Å; F130-R133 WeakPolarHBondContact O-CB 3.2Å; F130-R133 PolarHBondContact O-N 2.97Å; F131-R133 VanDerWaalsContact C-N 3.3Å; F131-R133 PolarHBondContact O-N 3.19Å; R133-W135 VanDerWaalsContact C-N 3.29Å; R133-W135 PolarHBondContact O-N 3.13Å; R133-E136 WeakPolarHBondContact CD-OE2 3.46Å; R133-E136 IonicContact CZ-OE2 3.08Å; R133-E136 IonicContact NE-OE2 2.65Å; R133-E136 IonicContact NH1-OE2 2.92Å; R133-E136 PolarHBondContact NH1-OE2 2.86Å; R133-E136 PolarHBondContact O-N 2.87Å; R133-V137 VanDerWaalsContact O-CG2 3.25Å; R133-V137 WeakPolarHBondContact O-CG2 3.4Å; R133-V137 PolarHBondContact O-N 3.39Å
134L96.3Very high93.5Very high4 Ų451.8 Ų51.82%0.02124%0.242CC..Hα-helixtrans-58.9-42.7175.5-178.763.9000111.1F65 L66 L79 A83 F130 F131 V137 A138F65-L134 HydrophobicContact CD1-CD2 4.01Å; F65-L134 HydrophobicContact CE1-CD2 3.99Å; L66-L134 HydrophobicContact CD1-CD1 4.45Å; L66-L134 HydrophobicContact CD2-CD2 4.36Å; L79-L134 HydrophobicContact CB-CD1 3.96Å; A83-L134 HydrophobicContact CB-CB 4.08Å; A83-L134 HydrophobicContact CB-CD1 4.09Å; F130-L134 HydrophobicContact CE1-CB 4.39Å; F130-L134 HydrophobicContact CE1-CD2 4.12Å; F130-L134 HydrophobicContact CZ-CB 4.2Å; F130-L134 HydrophobicContact CZ-CD2 4.16Å; F130-L134 PolarHBondContact O-N 3.45Å; F131-L134 HydrophobicContact CD1-CD2 4.17Å; F131-L134 HydrophobicContact CE1-CD2 4.37Å; F131-L134 PolarHBondContact O-N 3.26Å; L134-V137 PolarHBondContact O-N 3.37Å; L134-A138 WeakPolarHBondContact O-CB 3.24Å; L134-A138 PolarHBondContact O-N 2.92Å
135W95.5Very high93.1Very high70 Ų7047.2 Ų47.227%0.26522%0.221SC..Hα-helixtrans-61.7-46.3175.1179.285.1000112.3L27 F30 P33 F131 N132 R133 V137 A138 G139L27-W135 HydrophobicContact CD2-CG 4.3Å; F30-W135 HydrophobicContact CD1-CB 4.23Å; F30-W135 AromaticContact CD1-CD1 3.67Å; F30-W135 HydrophobicContact CD1-CG 4.18Å; F30-W135 HydrophobicContact CE1-CB 4.49Å; F30-W135 PolarHBondContact O-NE1 3.41Å; P33-W135 HydrophobicContact CG-CD2 4.27Å; P33-W135 HydrophobicContact CG-CE3 3.71Å; P33-W135 HydrophobicContact CG-CH2 4.13Å; P33-W135 HydrophobicContact CG-CZ3 3.64Å; F131-W135 WeakPolarHBondContact O-CB 3.32Å; F131-W135 PolarHBondContact O-N 2.95Å; N132-W135 WeakPolarHBondContact O-CB 3.39Å; N132-W135 PolarHBondContact O-N 3.11Å; R133-W135 VanDerWaalsContact C-N 3.29Å; R133-W135 PolarHBondContact O-N 3.13Å; W135-V137 VanDerWaalsContact C-N 3.34Å; W135-V137 PolarHBondContact O-N 3.38Å; W135-A138 PolarHBondContact O-N 2.97Å; W135-G139 PolarHBondContact O-N 3.03Å
136E95.3Very high92.7Very high79 Ų7947.2 Ų47.237%0.36922%0.22SC..Hα-helixtrans-59.5-44176.3-72.3174.517600112N132 R133 G139 R140N132-E136 WeakPolarHBondContact O-CG 3.29Å; N132-E136 PolarHBondContact O-N 3.4Å; R133-E136 WeakPolarHBondContact CD-OE2 3.46Å; R133-E136 IonicContact CZ-OE2 3.08Å; R133-E136 IonicContact NE-OE2 2.65Å; R133-E136 IonicContact NH1-OE2 2.92Å; R133-E136 PolarHBondContact NH1-OE2 2.86Å; R133-E136 PolarHBondContact O-N 2.87Å; E136-G139 PolarHBondContact O-N 2.86Å; E136-R140 WeakPolarHBondContact O-CG 3.18Å; E136-R140 PolarHBondContact O-N 3.41Å
137V95.3Very high92Very high0 Ų054 Ų540%026%0.255CS..Hα-helixtrans-61.9-49.8176.9173.80000110.4L79 E82 A83 R133 L134 W135 G139 R140 W141L79-V137 HydrophobicContact CD2-CG1 3.72Å; E82-V137 HydrophobicContact CB-CG1 4Å; E82-V137 HydrophobicContact CB-CG2 4.41Å; E82-V137 HydrophobicContact CG-CB 4.34Å; E82-V137 HydrophobicContact CG-CG1 3.61Å; E82-V137 HydrophobicContact CG-CG2 3.67Å; A83-V137 HydrophobicContact CB-CG2 4.35Å; R133-V137 VanDerWaalsContact O-CG2 3.25Å; R133-V137 WeakPolarHBondContact O-CG2 3.4Å; R133-V137 PolarHBondContact O-N 3.39Å; L134-V137 PolarHBondContact O-N 3.37Å; W135-V137 VanDerWaalsContact C-N 3.34Å; W135-V137 PolarHBondContact O-N 3.38Å; V137-G139 VanDerWaalsContact C-N 3.32Å; V137-G139 PolarHBondContact O-N 2.93Å; V137-R140 PolarHBondContact O-N 3.29Å; V137-W141 HydrophobicContact CG1-CD2 4.05Å; V137-W141 HydrophobicContact CG1-CG 4.35Å; V137-W141 HydrophobicContact CG1-CZ2 4.04Å; V137-W141 WeakPolarHBondContact O-CB 3.46Å; V137-W141 PolarHBondContact O-N 3.16Å
138A94.3Very high90.9Very high0 Ų057.4 Ų57.40%028%0.283CS..Hα-helixtrans-58-43.7178.100000111.7L23 L26 L27 L134 W135 R140 W141 Q142L23-A138 HydrophobicContact CD2-CB 4.14Å; L26-A138 HydrophobicContact CD2-CB 4.04Å; L27-A138 HydrophobicContact CD2-CB 4.07Å; L27-A138 HydrophobicContact CG-CB 4.42Å; L134-A138 WeakPolarHBondContact O-CB 3.24Å; L134-A138 PolarHBondContact O-N 2.92Å; W135-A138 PolarHBondContact O-N 2.97Å; A138-R140 PolarHBondContact O-N 3.37Å; A138-W141 PolarHBondContact O-N 3.28Å; A138-Q142 PolarHBondContact O-N 2.91Å
139G93.6Very high90.1Very high24 Ų2455.5 Ų55.525%0.24728%0.276CS..Hα-helixtrans-62.5-38.3176.500000113.8W135 E136 V137W135-G139 PolarHBondContact O-N 3.03Å; E136-G139 PolarHBondContact O-N 2.86Å; V137-G139 VanDerWaalsContact C-N 3.32Å; V137-G139 PolarHBondContact O-N 2.93Å
140R92.9Very high88.9Confident119 Ų11960.1 Ų60.145%0.44929%0.289SS..Hα-helixtrans-66.3-44.4172.4-71.6-172.4-59.2131.51.9111.3E82 E136 V137 A138 Q142 K143E82-R140 IonicContact OE1-CZ 3.33Å; E82-R140 IonicContact OE1-NH1 3.21Å; E82-R140 IonicContact OE1-NH2 2.8Å; E82-R140 PolarHBondContact OE1-NH2 3.16Å; E136-R140 WeakPolarHBondContact O-CG 3.18Å; E136-R140 PolarHBondContact O-N 3.41Å; V137-R140 PolarHBondContact O-N 3.29Å; A138-R140 PolarHBondContact O-N 3.37Å; R140-Q142 VanDerWaalsContact C-N 3.32Å; R140-Q142 PolarHBondContact O-N 3.29Å; R140-K143 PolarHBondContact O-N 3.41Å
141W93.4Very high87.7Confident16 Ų1662.1 Ų62.16%0.06131%0.305CS..Hα-helixtrans-74.1-22.3-173.9-71.618.6000113.2L23 L75 A78 L79 E82 V137 A138 K143 Q144 V145 P146 A149L23-W141 HydrophobicContact CD1-CB 3.92Å; L75-W141 HydrophobicContact CD1-CE3 4.09Å; L75-W141 HydrophobicContact CD1-CZ3 4.16Å; A78-W141 HydrophobicContact CB-CH2 3.8Å; A78-W141 HydrophobicContact CB-CZ3 3.9Å; A78-W141 WeakPolarHBondContact O-CH2 3.47Å; L79-W141 HydrophobicContact CD2-CD2 3.98Å; L79-W141 HydrophobicContact CD2-CE3 3.43Å; L79-W141 VanDerWaalsContact CD2-CE3 3.43Å; L79-W141 HydrophobicContact CD2-CH2 4.43Å; L79-W141 HydrophobicContact CD2-CZ3 3.69Å; L79-W141 HydrophobicContact CG-CE3 4Å; L79-W141 HydrophobicContact CG-CZ3 3.86Å; E82-W141 HydrophobicContact CB-CH2 4.24Å; E82-W141 HydrophobicContact CB-CZ2 3.82Å; E82-W141 HydrophobicContact CG-CZ2 3.89Å; V137-W141 HydrophobicContact CG1-CD2 4.05Å; V137-W141 HydrophobicContact CG1-CG 4.35Å; V137-W141 HydrophobicContact CG1-CZ2 4.04Å; V137-W141 WeakPolarHBondContact O-CB 3.46Å; V137-W141 PolarHBondContact O-N 3.16Å; A138-W141 PolarHBondContact O-N 3.28Å; W141-K143 PolarHBondContact O-N 2.98Å; W141-Q144 CarbonylContact O-C 3.47Å; W141-Q144 PolarHBondContact O-N 3.37Å; W141-Q144 VanDerWaalsContact O-N 3.1Å; W141-V145 HydrophobicContact CE3-CG1 4.37Å; W141-V145 VanDerWaalsContact O-CG2 3.24Å; W141-V145 WeakPolarHBondContact O-CG2 3.21Å; W141-V145 PolarHBondContact O-N 3.02Å; W141-V145 VanDerWaalsContact O-N 3.16Å; W141-P146 HydrophobicContact CD2-CG 3.92Å; W141-P146 VanDerWaalsContact CE2-CD 3.49Å; W141-P146 VanDerWaalsContact CE2-CG 3.45Å; W141-P146 HydrophobicContact CE3-CG 4.46Å; W141-P146 HydrophobicContact CG-CG 4.39Å; W141-P146 HydrophobicContact CH2-CG 4.22Å; W141-P146 HydrophobicContact CZ2-CG 3.63Å; W141-A149 HydrophobicContact CE3-CB 4.28Å; W141-A149 HydrophobicContact CH2-CB 4.15Å; W141-A149 HydrophobicContact CZ3-CB 3.62Å
142Q86.2Confident86.2Confident93 Ų9367.8 Ų67.844%0.43535%0.346SS..Hα-helixtrans-52.4-37.4169.9-170.3-173.641.100111.7D24 L27 A138 R140D24-Q142 WeakPolarHBondContact OD1-CG 3.29Å; D24-Q142 PolarHBondContact OD1-NE2 3.35Å; L27-Q142 HydrophobicContact CD1-CB 4.1Å; L27-Q142 HydrophobicContact CD1-CG 4.34Å; A138-Q142 PolarHBondContact O-N 2.91Å; R140-Q142 VanDerWaalsContact C-N 3.32Å; R140-Q142 PolarHBondContact O-N 3.29Å
143K84.6Confident85Confident187 Ų18767.4 Ų67.481%0.81334%0.342SS*.Hα-helixtrans-78-39.7177.8-59.3179-175.2175.40112R140 W141R140-K143 PolarHBondContact O-N 3.41Å; W141-K143 PolarHBondContact O-N 2.98Å
144Q85.4Confident84.3Confident155 Ų15568.8 Ų68.872%0.72435%0.348SS*.  trans-156.2105.8-177.6-173.2176.82800110.6W141W141-Q144 CarbonylContact O-C 3.47Å; W141-Q144 PolarHBondContact O-N 3.37Å; W141-Q144 VanDerWaalsContact O-N 3.1Å
145V83.6Confident83.8Confident7 Ų777 Ų774%0.04239%0.386CS..  trans-76.1129.3174.9-177.30000109.5T19 L23 L75 W141 A149 R150T19-V145 HydrophobicContact CG2-CB 4.49Å; T19-V145 HydrophobicContact CG2-CG1 4.02Å; T19-V145 HydrophobicContact CG2-CG2 3.94Å; L23-V145 HydrophobicContact CD1-CG2 3.71Å; L75-V145 HydrophobicContact CD1-CG1 4.43Å; W141-V145 HydrophobicContact CE3-CG1 4.37Å; W141-V145 VanDerWaalsContact O-CG2 3.24Å; W141-V145 WeakPolarHBondContact O-CG2 3.21Å; W141-V145 PolarHBondContact O-N 3.02Å; W141-V145 VanDerWaalsContact O-N 3.16Å; V145-A149 HydrophobicContact CG1-CB 3.76Å; V145-R150 HydrophobicContact CG1-CG 4.01Å
146P85.1Confident83.7Confident46 Ų4675 Ų7530%0.29938%0.379SS..  trans-59.5149.9177.9-25.435.5000113W141 A148 A149 R150W141-P146 HydrophobicContact CD2-CG 3.92Å; W141-P146 VanDerWaalsContact CE2-CD 3.49Å; W141-P146 VanDerWaalsContact CE2-CG 3.45Å; W141-P146 HydrophobicContact CE3-CG 4.46Å; W141-P146 HydrophobicContact CG-CG 4.39Å; W141-P146 HydrophobicContact CH2-CG 4.22Å; W141-P146 HydrophobicContact CZ2-CG 3.63Å; P146-A148 PolarHBondContact O-N 2.82Å; P146-A149 PolarHBondContact O-N 3.46Å; P146-A149 VanDerWaalsContact O-N 3.1Å; P146-R150 PolarHBondContact O-N 2.93Å
147L80.1Confident83.7Confident144 Ų14474.2 Ų74.275%0.75438%0.376SS*.G310 helixtrans-59-36.6177-71.2173000112.4A149 R150 A151L147-A149 PolarHBondContact O-N 3.49Å; L147-R150 CarbonylContact O-C 3.52Å; L147-R150 WeakPolarHBondContact O-CA 3.39Å; L147-R150 PolarHBondContact O-N 2.84Å; L147-A151 PolarHBondContact O-N 3.3Å
148A72.9Confident83.8Confident70 Ų7075.7 Ų75.758%0.57939%0.385SS*.G310 helixtrans-60.1-34177.600000112.8P146 R150P146-A148 PolarHBondContact O-N 2.82Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 3.45Å
149A77Confident84Confident3 Ų376 Ų763%0.02539%0.387CS..G310 helixtrans-79.4-9.8175.800000113.3L75 A78 W141 V145 P146 L147L75-A149 HydrophobicContact CD1-CB 4.4Å; A78-A149 HydrophobicContact CB-CB 3.62Å; W141-A149 HydrophobicContact CE3-CB 4.28Å; W141-A149 HydrophobicContact CH2-CB 4.15Å; W141-A149 HydrophobicContact CZ3-CB 3.62Å; V145-A149 HydrophobicContact CG1-CB 3.76Å; P146-A149 PolarHBondContact O-N 3.46Å; P146-A149 VanDerWaalsContact O-N 3.1Å; L147-A149 PolarHBondContact O-N 3.49Å
150R71.4Confident84.3Confident131 Ų13177 Ų7749%0.49439%0.386SS..G310 helixtrans-107.7-3.8177.3-64.1178.1174.4172.82.3113V145 P146 L147 A148 S152V145-R150 HydrophobicContact CG1-CG 4.01Å; P146-R150 PolarHBondContact O-N 2.93Å; L147-R150 CarbonylContact O-C 3.52Å; L147-R150 WeakPolarHBondContact O-CA 3.39Å; L147-R150 PolarHBondContact O-N 2.84Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 3.45Å; R150-S152 PolarHBondContact O-N 3.36Å
151A69.4Low84.5Confident42 Ų4274 Ų7435%0.34738%0.377SS..PPolyproline II helixtrans-63.1126.3-174.400000109.9L147 Q153L147-A151 PolarHBondContact O-N 3.3Å; A151-Q153 PolarHBondContact O-N 3.4Å
152S65.8Low84.8Confident123 Ų12374.9 Ų74.986%0.8639%0.389SS*.PPolyproline II helixtrans-71.3120.5172.7-174.50000108.4R150R150-S152 PolarHBondContact O-N 3.36Å
153Q71.5Confident85.4Confident25 Ų2572.2 Ų72.212%0.11738%0.377CS..PPolyproline II helixtrans-101.3163.9172.6-67.2-170.6-78.900110.7A151 Q155 S179 Q182 D191A151-Q153 PolarHBondContact O-N 3.4Å; Q153-Q155 PolarHBondContact O-N 3.43Å; Q153-Q155 VanDerWaalsContact O-N 3.13Å; Q153-S179 VanDerWaalsContact OE1-CA 3.28Å; Q153-S179 VanDerWaalsContact OE1-CB 3.23Å; Q153-S179 PolarHBondContact OE1-OG 3.3Å; Q153-Q182 VanDerWaalsContact NE2-NE2 3.13Å; Q153-Q182 VanDerWaalsContact OE1-CD 3.29Å; Q153-D191 PolarHBondContact NE2-OD1 2.98Å
154R81.9Confident86Confident107 Ų10769.8 Ų69.840%0.40436%0.362SS..PPolyproline II helixtrans-54.5122.1165.3-178.6172.2179.3-179.92.5108.4W156 L414R154-W156 HydrophobicContact CG-CZ2 4.17Å; R154-W156 VanDerWaalsContact CZ-CH2 3.41Å; R154-W156 PolarHBondContact O-NE1 3.44Å; R154-L414 PolarHBondContact NH2-O 2.97Å
155Q85.5Confident86.6Confident175 Ų17563.8 Ų63.882%0.81834%0.335SS*.PPolyproline II helixtrans-77.6134.7172.7-68.5-173.4-5.400108.9Q153Q153-Q155 PolarHBondContact O-N 3.43Å; Q153-Q155 VanDerWaalsContact O-N 3.13Å
156W92.1Very high87.2Confident30 Ų3067.4 Ų67.411%0.11436%0.358CS..  trans-109.9120.7177.6-61.490.9000108.2R154 V158 A193 F195 I263 V412 L414R154-W156 HydrophobicContact CG-CZ2 4.17Å; R154-W156 VanDerWaalsContact CZ-CH2 3.41Å; R154-W156 PolarHBondContact O-NE1 3.44Å; W156-V158 HydrophobicContact CB-CG2 3.9Å; W156-V158 PolarHBondContact O-N 2.71Å; W156-A193 HydrophobicContact CD2-CB 4.37Å; W156-A193 HydrophobicContact CZ2-CB 3.92Å; W156-A193 VanDerWaalsContact NE1-CB 3.34Å; W156-F195 HydrophobicContact CB-CZ 4.23Å; W156-F195 HydrophobicContact CD2-CZ 4.2Å; W156-F195 HydrophobicContact CG-CZ 4.04Å; W156-I263 HydrophobicContact CE3-CD1 4.23Å; W156-I263 HydrophobicContact CH2-CB 4.05Å; W156-I263 HydrophobicContact CH2-CD1 3.3Å; W156-I263 HydrophobicContact CH2-CG1 4.26Å; W156-I263 HydrophobicContact CH2-CG2 3.76Å; W156-I263 HydrophobicContact CZ2-CB 4.25Å; W156-I263 HydrophobicContact CZ2-CD1 4.07Å; W156-I263 HydrophobicContact CZ2-CG2 4.16Å; W156-I263 HydrophobicContact CZ3-CD1 3.42Å; W156-I263 VanDerWaalsContact CZ3-CD1 3.42Å; W156-V412 HydrophobicContact CE3-CG1 3.89Å; W156-V412 HydrophobicContact CZ3-CG1 4.48Å; W156-L414 HydrophobicContact CE3-CD2 4.39Å; W156-L414 HydrophobicContact CH2-CD2 4.42Å; W156-L414 HydrophobicContact CZ3-CD2 3.58Å
157L96.1Very high87.8Confident61 Ų6170.4 Ų70.432%0.31936%0.363SS..EExtended strand (participates in β ladder)trans-81.6113.8166.9176.966.4000107.9L388 F413 P417L157-L388 HydrophobicContact CD1-CD2 3.8Å; L157-L388 HydrophobicContact CD1-CG 4.5Å; L157-F413 HydrophobicContact CB-CB 4.16Å; L157-F413 HydrophobicContact CB-CD2 4.49Å; L157-F413 HydrophobicContact CD2-CB 4.4Å; L157-F413 HydrophobicContact CD2-CD2 3.88Å; L157-F413 HydrophobicContact CD2-CE2 4.49Å; L157-F413 HydrophobicContact CD2-CG 4.24Å; L157-F413 HydrophobicContact CG-CB 4.49Å; L157-F413 HydrophobicContact CG-CD2 3.96Å; L157-F413 PolarHBondContact O-N 2.81Å; L157-P417 HydrophobicContact CD2-CG 3.28Å
158V97.4Very high88.5Confident32 Ų3274.8 Ų74.819%0.19437%0.37CS..EExtended strand (participates in β ladder)trans-124.4127.4-178.1-166.60000109.1W156 I160 F195 M410 V411 V412W156-V158 HydrophobicContact CB-CG2 3.9Å; W156-V158 PolarHBondContact O-N 2.71Å; V158-I160 HydrophobicContact CG1-CD1 3.89Å; V158-I160 HydrophobicContact CG1-CG1 3.64Å; V158-F195 HydrophobicContact CG2-CE1 3.78Å; V158-F195 HydrophobicContact CG2-CZ 4.3Å; V158-M410 HydrophobicContact CG1-CG 3.89Å; V158-M410 HydrophobicContact CG1-SD 4.22Å; V158-V411 CarbonylContact C-O 3.47Å; V158-V411 VanDerWaalsContact CA-O 3.3Å; V158-V411 WeakPolarHBondContact CA-O 3.43Å; V158-V412 HydrophobicContact CG1-CG2 4.03Å; V158-V412 HydrophobicContact CG2-CG1 4.38Å; V158-V412 HydrophobicContact CG2-CG2 4.41Å
159S98.5Very high89.7Confident6 Ų678.1 Ų78.14%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-108.5125169.4178.90000108.2V390 A391 M410 V411S159-V390 PolarHBondContact OG-N 3.36Å; S159-A391 WeakPolarHBondContact OG-CB 3.4Å; S159-A391 PolarHBondContact OG-N 2.79Å; S159-M410 CarbonylContact O-C 3.42Å; S159-M410 WeakPolarHBondContact O-CA 3.21Å; S159-V411 PolarHBondContact N-O 3.38Å; S159-V411 PolarHBondContact O-N 3.03Å
160I98.6Very high90.7Very high44 Ų4480.3 Ų80.323%0.22638%0.381CS..EExtended strand (participates in β ladder)trans-131.6131.5-177.8-49.2172000108V158 V409 M410V158-I160 HydrophobicContact CG1-CD1 3.89Å; V158-I160 HydrophobicContact CG1-CG1 3.64Å; I160-V409 WeakPolarHBondContact CA-O 3.41Å; I160-M410 HydrophobicContact CD1-CE 3.71Å; I160-M410 HydrophobicContact CD1-CG 4.46Å; I160-M410 HydrophobicContact CD1-SD 4.29Å; I160-M410 HydrophobicContact CG1-CB 4.31Å; I160-M410 HydrophobicContact CG1-CE 4.05Å; I160-M410 HydrophobicContact CG1-CG 3.93Å; I160-M410 HydrophobicContact CG1-SD 4.4Å; I160-M410 HydrophobicContact CG2-CB 4.45Å; I160-M410 HydrophobicContact CG2-CE 4.27Å
161H98.7Very high92Very high56 Ų5675.5 Ų75.526%0.25936%0.364SS..EExtended strand (participates in β ladder)trans-139.2130171.7-158.369.4000110.1I163 A391 E392 V395 T408 V409H161-I163 VanDerWaalsContact NE2-CG2 3.34Å; H161-I163 WeakPolarHBondContact NE2-CG2 3.31Å; H161-A391 HydrophobicContact CB-CB 3.67Å; H161-E392 HydrophobicContact CB-CG 4.23Å; H161-E392 IonicContact CE1-OE1 3.51Å; H161-E392 IonicContact CG-OE1 3.89Å; H161-E392 VanDerWaalsContact ND1-CD 3.31Å; H161-E392 WeakPolarHBondContact ND1-CG 3.41Å; H161-E392 IonicContact ND1-OE1 3.39Å; H161-E392 PolarHBondContact ND1-OE1 3.39Å; H161-V395 HydrophobicContact CB-CG2 4.08Å; H161-T408 WeakPolarHBondContact O-CA 3.25Å; H161-V409 PolarHBondContact N-O 3.19Å; H161-V409 PolarHBondContact O-N 2.98Å
162A98.6Very high93.4Very high36 Ų3673.6 Ų73.630%0.29835%0.349SS..EExtended strand (participates in β ladder)trans-136.5124.2-176.100000109.5M170 I407 T408A162-M170 HydrophobicContact CB-CE 3.72Å; A162-I407 CarbonylContact C-O 3.46Å; A162-I407 VanDerWaalsContact CA-O 3.28Å; A162-I407 WeakPolarHBondContact CA-O 3.37Å; A162-T408 HydrophobicContact CB-CG2 4.04Å
163I98.6Very high95Very high36 Ų3670.8 Ų70.819%0.18532%0.319CS..EExtended strand (participates in β ladder)trans-133.6146-178.363.5164.9000111.9H161 N165 M170 V395 R399 N406 I407H161-I163 VanDerWaalsContact NE2-CG2 3.34Å; H161-I163 WeakPolarHBondContact NE2-CG2 3.31Å; I163-N165 HydrophobicContact CD1-CB 3.83Å; I163-N165 HydrophobicContact CG1-CB 4.12Å; I163-N165 PolarHBondContact O-N 3.04Å; I163-M170 VanDerWaalsContact O-SD 3.33Å; I163-V395 HydrophobicContact CD1-CG1 3.35Å; I163-V395 HydrophobicContact CG1-CG1 3.66Å; I163-V395 HydrophobicContact CG2-CG1 4.43Å; I163-R399 HydrophobicContact CD1-CG 4.07Å; I163-N406 WeakPolarHBondContact O-CA 3.47Å; I163-I407 HydrophobicContact CD1-CD1 4.38Å; I163-I407 HydrophobicContact CG1-CB 4.01Å; I163-I407 HydrophobicContact CG1-CG1 4.41Å; I163-I407 PolarHBondContact N-O 3.35Å; I163-I407 PolarHBondContact O-N 2.75Å
164R98.1Very high96.3Very high136 Ų13673.3 Ų73.351%0.51333%0.331SS..  trans-63.3-31.4169.9-166.6-169.367.1-178.7-5.9112.5T166 R167 K169 M170 N406R164-T166 PolarHBondContact O-N 3.48Å; R164-R167 WeakPolarHBondContact CD-O 3.31Å; R164-R167 WeakPolarHBondContact CG-O 3.35Å; R164-R167 PolarHBondContact NE-O 2.99Å; R164-R167 PolarHBondContact O-N 3.29Å; R164-K169 WeakPolarHBondContact CG-O 3.45Å; R164-M170 VanDerWaalsContact CA-SD 3.59Å; R164-M170 HydrophobicContact CB-CB 4.11Å; R164-M170 HydrophobicContact CB-SD 4.36Å; R164-M170 HydrophobicContact CG-CB 4.17Å; R164-M170 PolarHBondContact N-SD 3.42Å; R164-M170 VanDerWaalsContact N-SD 3.44Å; R164-N406 WeakPolarHBondContact CA-ND2 3.26Å; R164-N406 PolarHBondContact O-ND2 3.16Å
165N97.4Very high97.1Very high29 Ų2968.9 Ų68.916%0.15532%0.316CS..THydrogen-bonded Turntrans50.7-125.8-171.4-16928.9000111.3I163 R399 S403 D405 I407I163-N165 HydrophobicContact CD1-CB 3.83Å; I163-N165 HydrophobicContact CG1-CB 4.12Å; I163-N165 PolarHBondContact O-N 3.04Å; N165-R399 PolarHBondContact OD1-NE 3.21Å; N165-S403 PolarHBondContact ND2-O 2.96Å; N165-D405 WeakPolarHBondContact CB-O 3.34Å; N165-D405 PolarHBondContact ND2-O 3.1Å; N165-I407 HydrophobicContact CB-CG1 4.4Å
166T96.4Very high97.7Very high83 Ų8362.5 Ų62.551%0.50929%0.29SS..THydrogen-bonded Turntrans-88.8-8.9-175.751.20000114.7R164 H404R164-T166 PolarHBondContact O-N 3.48Å; T166-H404 WeakPolarHBondContact OG1-CA 3.43Å; T166-H404 PolarHBondContact OG1-O 3.39Å
167R97.3Very high97.9Very high109 Ų10962.1 Ų62.141%0.41129%0.29SS..SBendtrans-69.1160.6177-63.8-64.4-171.492.3-12.7111.3R164 H404 D405 N406R164-R167 WeakPolarHBondContact CD-O 3.31Å; R164-R167 WeakPolarHBondContact CG-O 3.35Å; R164-R167 PolarHBondContact NE-O 2.99Å; R164-R167 PolarHBondContact O-N 3.29Å; R167-H404 PolarHBondContact NE-O 2.96Å; R167-D405 IonicContact CZ-OD1 3.87Å; R167-D405 IonicContact CZ-OD2 4Å; R167-D405 IonicContact NE-OD1 3.79Å; R167-D405 PolarHBondContact NE-OD1 3.32Å; R167-D405 VanDerWaalsContact NE-OD1 3.13Å; R167-D405 IonicContact NE-OD2 3.95Å; R167-D405 IonicContact NH1-OD1 3.03Å; R167-D405 PolarHBondContact NH1-OD1 3.04Å; R167-D405 IonicContact NH1-OD2 2.88Å; R167-D405 IonicContact NH2-OD1 3.68Å; R167-D405 PolarHBondContact NH2-OD1 2.94Å; R167-D405 IonicContact NH2-OD2 3.13Å; R167-D405 PolarHBondContact NH2-OD2 3.19Å; R167-N406 WeakPolarHBondContact CB-ND2 3.29Å
168R96.4Very high97.8Very high237 Ų23761 Ų6189%0.89429%0.287SS*.SBendtrans-73.4-36179.8-66.3-178.2-179.9178.51112.6
169K97.5Very high97.6Very high139 Ų13960 Ų6060%0.60428%0.281SS*.SBendtrans-124.9156.8-178.1-67.6-179.8178.4178.90109.9R164 E171 N406R164-K169 WeakPolarHBondContact CG-O 3.45Å; K169-E171 HydrophobicContact CB-CG 3.9Å; K169-N406 PolarHBondContact O-ND2 3.02Å; K169-N406 PolarHBondContact O-OD1 3.02Å
170M98.1Very high97.5Very high49 Ų4959.7 Ų59.724%0.24128%0.279CS..  trans-101.297.6171.5-178.860.4-18000107.8A162 I163 R164 D172 R173 N406A162-M170 HydrophobicContact CB-CE 3.72Å; I163-M170 VanDerWaalsContact O-SD 3.33Å; R164-M170 VanDerWaalsContact CA-SD 3.59Å; R164-M170 HydrophobicContact CB-CB 4.11Å; R164-M170 HydrophobicContact CB-SD 4.36Å; R164-M170 HydrophobicContact CG-CB 4.17Å; R164-M170 PolarHBondContact N-SD 3.42Å; R164-M170 VanDerWaalsContact N-SD 3.44Å; M170-D172 HydrophobicContact CE-CB 3.71Å; M170-R173 PolarHBondContact O-NH1 3.01Å; M170-N406 WeakPolarHBondContact CA-OD1 3.44Å; M170-N406 HydrophobicContact SD-CB 4.01Å
171E98.4Very high97.3Very high30 Ų3058 Ų5814%0.1427%0.271CS..  trans-96.1-21.2-173.4-55.9-167.6139.900111.5K169 G200 G203 V204 A207 N406K169-E171 HydrophobicContact CB-CG 3.9Å; E171-G200 WeakPolarHBondContact CB-O 3.4Å; E171-G203 WeakPolarHBondContact OE1-CA 3.34Å; E171-G203 PolarHBondContact OE1-N 3.3Å; E171-V204 HydrophobicContact CB-CB 4.48Å; E171-V204 HydrophobicContact CG-CB 4.45Å; E171-V204 WeakPolarHBondContact O-CG2 3.34Å; E171-A207 WeakPolarHBondContact O-CB 3.42Å; E171-N406 PolarHBondContact N-OD1 3.31Å
172D98.8Very high97Very high3 Ų356.8 Ų56.82%0.01627%0.265CS..  trans-65.6148.2172.9-51.37000113.4M170 F198 C360 N406 T408M170-D172 HydrophobicContact CE-CB 3.71Å; D172-F198 CarbonylContact C-O 3.46Å; D172-F198 WeakPolarHBondContact CA-O 3.3Å; D172-C360 PolarHBondContact OD2-SG 3.4Å; D172-N406 WeakPolarHBondContact OD1-CB 3.33Å; D172-T408 WeakPolarHBondContact CB-OG1 3.33Å; D172-T408 WeakPolarHBondContact OD2-CB 3.42Å; D172-T408 PolarHBondContact OD2-N 3.1Å; D172-T408 PolarHBondContact OD2-OG1 3.35Å
173R98.8Very high96.9Very high64 Ų6455.4 Ų55.424%0.24225%0.252CS..EExtended strand (participates in β ladder)trans-132.3159.8167.4-65.6-63.9-179.4-90.23.8110.6M170 F198 A207 A211M170-R173 PolarHBondContact O-NH1 3.01Å; R173-F198 HydrophobicContact CB-CB 4.47Å; R173-F198 PolarHBondContact N-O 3.03Å; R173-F198 PolarHBondContact O-N 2.89Å; R173-A207 HydrophobicContact CB-CB 4.4Å; R173-A207 HydrophobicContact CG-CB 4.08Å; R173-A211 HydrophobicContact CB-CB 3.85Å
174H98.8Very high96.8Very high78 Ų7853.9 Ų53.936%0.36124%0.244SC..EExtended strand (participates in β ladder)trans-143.8159.3175.963.3-96.8000110.5A196 V197 T408 M410H174-A196 CarbonylContact C-O 3.6Å; H174-A196 WeakPolarHBondContact CA-O 3.05Å; H174-A196 WeakPolarHBondContact CB-O 3.27Å; H174-V197 HydrophobicContact CB-CG2 4.41Å; H174-T408 HydrophobicContact CB-CG2 4.05Å; H174-M410 HydrophobicContact CB-CE 3.89Å
175V98.6Very high96.6Very high14 Ų1449.1 Ų49.19%0.08524%0.237CC..EExtended strand (participates in β ladder)trans-134.9131.6-179-179.90000108.8L177 Y194 F195 A196 F198 A211 M410V175-L177 HydrophobicContact CG1-CD1 3.5Å; V175-L177 HydrophobicContact CG1-CG 3.57Å; V175-Y194 HydrophobicContact CB-CD1 4.42Å; V175-Y194 HydrophobicContact CB-CE1 4.08Å; V175-Y194 HydrophobicContact CG1-CD1 3.84Å; V175-Y194 HydrophobicContact CG1-CE1 3.87Å; V175-F195 CarbonylContact O-C 3.47Å; V175-F195 VanDerWaalsContact O-CA 3.29Å; V175-F195 WeakPolarHBondContact O-CA 3.47Å; V175-A196 HydrophobicContact CB-CB 4.24Å; V175-A196 PolarHBondContact N-O 2.92Å; V175-A196 PolarHBondContact O-N 2.65Å; V175-F198 HydrophobicContact CG2-CE2 3.97Å; V175-A211 HydrophobicContact CG2-CB 3.85Å; V175-A211 VanDerWaalsContact CG2-O 3.25Å; V175-A211 WeakPolarHBondContact CG2-O 3.42Å; V175-M410 WeakPolarHBondContact O-CE 3.34Å
176S97.7Very high96.5Very high41 Ų4149.3 Ų49.329%0.28724%0.239SC..EExtended strand (participates in β ladder)trans-131.9108.3172.5-179.70000109P178S176-P178 VanDerWaalsContact C-CD 3.47Å; S176-P178 WeakPolarHBondContact O-CD 3.49Å
177L96.7Very high96.1Very high21 Ų2151.4 Ų51.411%0.1126%0.257CS..EExtended strand (participates in β ladder)trans-127.977.7-175.2-64.5173.6000110.8V175 S179 L183 A193 Y194 H215V175-L177 HydrophobicContact CG1-CD1 3.5Å; V175-L177 HydrophobicContact CG1-CG 3.57Å; L177-S179 PolarHBondContact O-N 3.33Å; L177-L183 HydrophobicContact CD1-CD2 4.14Å; L177-L183 HydrophobicContact CD2-CD2 3.98Å; L177-A193 WeakPolarHBondContact O-CA 3.42Å; L177-Y194 HydrophobicContact CD1-CD1 4.32Å; L177-Y194 PolarHBondContact N-O 2.91Å; L177-Y194 PolarHBondContact O-N 3.38Å; L177-H215 HydrophobicContact CD1-CB 4.36Å; L177-H215 WeakPolarHBondContact CD1-CD2 3.38Å; L177-H215 WeakPolarHBondContact CD1-NE2 3.24Å
178P94.4Very high95.8Very high38 Ų3848.4 Ų48.425%0.24725%0.249CC..THydrogen-bonded Turntrans-55.7-35.8169.4-30.439.1000114S176 F180S176-P178 VanDerWaalsContact C-CD 3.47Å; S176-P178 WeakPolarHBondContact O-CD 3.49Å; P178-F180 PolarHBondContact O-N 3.2Å
179S93.3Very high95.5Very high10 Ų1043.6 Ų43.67%0.0725%0.248CC..THydrogen-bonded Turntrans-99.846.2-176.1-61.20000112.4Q153 L177 N181 Q182 L183Q153-S179 VanDerWaalsContact OE1-CA 3.28Å; Q153-S179 VanDerWaalsContact OE1-CB 3.23Å; Q153-S179 PolarHBondContact OE1-OG 3.3Å; L177-S179 PolarHBondContact O-N 3.33Å; S179-N181 PolarHBondContact O-N 2.76Å; S179-Q182 PolarHBondContact O-N 3.45Å; S179-Q182 PolarHBondContact O-OE1 2.98Å; S179-L183 PolarHBondContact O-N 3.21Å; S179-L183 VanDerWaalsContact O-N 3.08Å
180F95.8Very high95.3Very high0 Ų039.4 Ų39.40%023%0.234CC..Hα-helixtrans-59-46-174.6-174.8-91.8000112P178 Q182 L183 F184 L186 R192 Y194 H215 A219 L224 L262P178-F180 PolarHBondContact O-N 3.2Å; F180-Q182 PolarHBondContact O-N 3.22Å; F180-L183 PolarHBondContact O-N 3Å; F180-F184 HydrophobicContact CD1-CD2 4.28Å; F180-F184 HydrophobicContact CD2-CD2 4.03Å; F180-F184 AromaticContact CD2-CE2 3.85Å; F180-F184 HydrophobicContact CD2-CE2 3.85Å; F180-F184 HydrophobicContact CE1-CD2 4.11Å; F180-F184 AromaticContact CE2-CD2 3.86Å; F180-F184 HydrophobicContact CE2-CD2 3.86Å; F180-F184 AromaticContact CE2-CE2 3.6Å; F180-F184 HydrophobicContact CE2-CE2 3.6Å; F180-F184 HydrophobicContact CG-CD2 4.25Å; F180-F184 HydrophobicContact CG-CE2 4.5Å; F180-F184 AromaticContact CZ-CD2 3.91Å; F180-F184 HydrophobicContact CZ-CD2 3.91Å; F180-F184 HydrophobicContact CZ-CE2 4.05Å; F180-F184 WeakPolarHBondContact O-CD2 3.36Å; F180-F184 PolarHBondContact O-N 2.9Å; F180-L186 HydrophobicContact CD1-CD1 3.95Å; F180-L186 HydrophobicContact CE1-CD1 3.76Å; F180-R192 HydrophobicContact CB-CB 4.3Å; F180-R192 WeakPolarHBondContact CB-O 3.48Å; F180-R192 HydrophobicContact CD1-CB 3.97Å; F180-R192 HydrophobicContact CG-CB 4.45Å; F180-Y194 VanDerWaalsContact CD2-CB 3.5Å; F180-Y194 HydrophobicContact CD2-CG 4.27Å; F180-Y194 HydrophobicContact CE2-CD2 4.43Å; F180-Y194 HydrophobicContact CE2-CG 4.26Å; F180-H215 HydrophobicContact CE2-CB 4.14Å; F180-A219 HydrophobicContact CE1-CB 4.01Å; F180-A219 HydrophobicContact CZ-CB 3.67Å; F180-L224 HydrophobicContact CE1-CD2 4.23Å; F180-L262 HydrophobicContact CD1-CD1 4.43Å; F180-L262 HydrophobicContact CE1-CD1 4.42Å
181N94.5Very high95.1Very high10 Ų1039.5 Ų39.55%0.05324%0.236CC..Hα-helixtrans-60.2-44.2179.2-7241000112.4S179 F184 G185 L186 V190 R192S179-N181 PolarHBondContact O-N 2.76Å; N181-F184 CarbonylContact O-C 3.45Å; N181-F184 PolarHBondContact O-N 2.97Å; N181-G185 WeakPolarHBondContact O-CA 3.47Å; N181-G185 PolarHBondContact O-N 2.89Å; N181-L186 HydrophobicContact CB-CB 4.12Å; N181-L186 PolarHBondContact O-N 3.03Å; N181-V190 PolarHBondContact ND2-O 2.95Å; N181-R192 PolarHBondContact ND2-NH1 3.43Å; N181-R192 WeakPolarHBondContact OD1-CB 3.48Å; N181-R192 WeakPolarHBondContact OD1-CG 3.37Å; N181-R192 PolarHBondContact OD1-N 3.33Å; N181-R192 VanDerWaalsContact OD1-N 3.08Å
182Q93.8Very high95Very high30 Ų3038.2 Ų38.214%0.1423%0.23CC..Hα-helixtrans-67.1-39.7-177.4-68.971.314.800110.7A77 H81 Q153 S179 F180 F184A77-Q182 HydrophobicContact CB-CB 3.8Å; H81-Q182 WeakPolarHBondContact CB-O 3.43Å; Q153-Q182 VanDerWaalsContact NE2-NE2 3.13Å; Q153-Q182 VanDerWaalsContact OE1-CD 3.29Å; S179-Q182 PolarHBondContact O-N 3.45Å; S179-Q182 PolarHBondContact O-OE1 2.98Å; F180-Q182 PolarHBondContact O-N 3.22Å; Q182-F184 PolarHBondContact O-N 3.13Å
183L96Very high94.9Very high7 Ų738.1 Ų38.14%0.03723%0.229CC..Hα-helixtrans-63-34.4179.6-176.260.3000111.8A59 M63 A77 T80 H81 L177 S179 F180A59-L183 HydrophobicContact CB-CD1 4.4Å; M63-L183 HydrophobicContact CG-CD1 3.96Å; M63-L183 HydrophobicContact SD-CD1 3.97Å; A77-L183 HydrophobicContact CB-CB 4.09Å; T80-L183 HydrophobicContact CG2-CD1 3.58Å; H81-L183 WeakPolarHBondContact CB-O 3.38Å; L177-L183 HydrophobicContact CD1-CD2 4.14Å; L177-L183 HydrophobicContact CD2-CD2 3.98Å; S179-L183 PolarHBondContact O-N 3.21Å; S179-L183 VanDerWaalsContact O-N 3.08Å; F180-L183 PolarHBondContact O-N 3Å
184F96.4Very high94.9Very high3 Ų335 Ų351%0.01322%0.217CC..Hα-helixtrans-108.83.4-176.1-63.7-63.6000115.1F180 N181 Q182 L186 H215 T216 A219 R220F180-F184 HydrophobicContact CD1-CD2 4.28Å; F180-F184 HydrophobicContact CD2-CD2 4.03Å; F180-F184 AromaticContact CD2-CE2 3.85Å; F180-F184 HydrophobicContact CD2-CE2 3.85Å; F180-F184 HydrophobicContact CE1-CD2 4.11Å; F180-F184 AromaticContact CE2-CD2 3.86Å; F180-F184 HydrophobicContact CE2-CD2 3.86Å; F180-F184 AromaticContact CE2-CE2 3.6Å; F180-F184 HydrophobicContact CE2-CE2 3.6Å; F180-F184 HydrophobicContact CG-CD2 4.25Å; F180-F184 HydrophobicContact CG-CE2 4.5Å; F180-F184 AromaticContact CZ-CD2 3.91Å; F180-F184 HydrophobicContact CZ-CD2 3.91Å; F180-F184 HydrophobicContact CZ-CE2 4.05Å; F180-F184 WeakPolarHBondContact O-CD2 3.36Å; F180-F184 PolarHBondContact O-N 2.9Å; N181-F184 CarbonylContact O-C 3.45Å; N181-F184 PolarHBondContact O-N 2.97Å; Q182-F184 PolarHBondContact O-N 3.13Å; F184-L186 VanDerWaalsContact C-N 3.34Å; F184-L186 HydrophobicContact CB-CD2 4.37Å; F184-L186 HydrophobicContact CB-CG 4.17Å; F184-L186 PolarHBondContact O-N 2.78Å; F184-H215 AromaticContact CE2-CD2 3.68Å; F184-H215 AromaticContact CZ-CD2 3.39Å; F184-H215 WeakPolarHBondContact CZ-CD2 3.46Å; F184-H215 AromaticContact CZ-NE2 3.87Å; F184-T216 HydrophobicContact CE1-CG2 4.09Å; F184-A219 HydrophobicContact CB-CB 3.66Å; F184-A219 HydrophobicContact CD1-CB 3.74Å; F184-A219 HydrophobicContact CD2-CB 3.4Å; F184-A219 VanDerWaalsContact CD2-CB 3.4Å; F184-A219 HydrophobicContact CE1-CB 4.26Å; F184-A219 HydrophobicContact CE2-CB 3.96Å; F184-A219 HydrophobicContact CG-CB 3.29Å; F184-A219 HydrophobicContact CZ-CB 4.36Å; F184-R220 PolarHBondContact O-NH1 3.45Å; F184-R220 PolarHBondContact O-NH2 3.37Å
185G94.4Very high94.9Very high36 Ų3631.3 Ų31.337%0.37120%0.2SC..THydrogen-bonded Turntrans66.231.2178.800000114.4H81 N181 S187H81-G185 WeakPolarHBondContact CE1-CA 3.39Å; H81-G185 PolarHBondContact ND1-N 3.05Å; H81-G185 WeakPolarHBondContact NE2-CA 3.46Å; N181-G185 WeakPolarHBondContact O-CA 3.47Å; N181-G185 PolarHBondContact O-N 2.89Å; G185-S187 PolarHBondContact O-N 3.03Å
186L93.9Very high94.9Very high34 Ų3430.7 Ų30.718%0.17820%0.196CC..  trans-73.6117.7179.3-54.5-177.2000109.6F180 N181 F184 L224F180-L186 HydrophobicContact CD1-CD1 3.95Å; F180-L186 HydrophobicContact CE1-CD1 3.76Å; N181-L186 HydrophobicContact CB-CB 4.12Å; N181-L186 PolarHBondContact O-N 3.03Å; F184-L186 VanDerWaalsContact C-N 3.34Å; F184-L186 HydrophobicContact CB-CD2 4.37Å; F184-L186 HydrophobicContact CB-CG 4.17Å; F184-L186 PolarHBondContact O-N 2.78Å; L186-L224 HydrophobicContact CD1-CD2 3.79Å
187S88.4Confident95Very high127 Ų12728.7 Ų28.789%0.88818%0.182SC*.  trans-97.7-4.6-171.858.60000114.3G185G185-S187 PolarHBondContact O-N 3.03Å
188D91.4Very high95.1Very high46 Ų4627.7 Ų27.725%0.24618%0.177CC..SBendtrans-72.3156.3175.676.595.8000111.2V190 R192D188-V190 PolarHBondContact O-N 3.47Å; D188-V190 VanDerWaalsContact O-N 3.17Å; D188-V190 VanDerWaalsContact OD1-CB 3.22Å; D188-V190 WeakPolarHBondContact OD1-CB 2.84Å; D188-V190 WeakPolarHBondContact OD1-CG2 3.38Å; D188-V190 PolarHBondContact OD1-N 2.86Å; D188-R192 VanDerWaalsContact CG-NH1 3.29Å; D188-R192 IonicContact OD1-CZ 3.18Å; D188-R192 IonicContact OD1-NH1 3.05Å; D188-R192 PolarHBondContact OD1-NH1 2.88Å; D188-R192 IonicContact OD1-NH2 2.63Å; D188-R192 PolarHBondContact OD1-NH2 3.14Å; D188-R192 IonicContact OD2-CZ 2.84Å; D188-R192 IonicContact OD2-NH1 2.86Å; D188-R192 PolarHBondContact OD2-NH1 2.81Å; D188-R192 IonicContact OD2-NH2 3.37Å; D188-R192 PolarHBondContact OD2-NH2 2.82Å
189P89.6Confident95.3Very high136 Ų13626.4 Ų26.488%0.88317%0.168SC*.SBendtrans-76.3-1-170.731.9-36.8000114.1D191P189-D191 PolarHBondContact O-N 3.25Å
190V94Very high95.6Very high51 Ų5126.1 Ų26.131%0.30917%0.166SC..  trans-82.3110.1-178.8-175.60000109N181 D188 R192 A264N181-V190 PolarHBondContact ND2-O 2.95Å; D188-V190 PolarHBondContact O-N 3.47Å; D188-V190 VanDerWaalsContact O-N 3.17Å; D188-V190 VanDerWaalsContact OD1-CB 3.22Å; D188-V190 WeakPolarHBondContact OD1-CB 2.84Å; D188-V190 WeakPolarHBondContact OD1-CG2 3.38Å; D188-V190 PolarHBondContact OD1-N 2.86Å; V190-R192 HydrophobicContact CG1-CG 4.34Å; V190-R192 PolarHBondContact O-NH1 3.11Å; V190-A264 HydrophobicContact CG1-CB 3.97Å
191D93.1Very high95.7Very high51 Ų5128 Ų2827%0.27318%0.175SC..  trans-66134.1171.8-170.240.9000110Q153 P189 G265Q153-D191 PolarHBondContact NE2-OD1 2.98Å; P189-D191 PolarHBondContact O-N 3.25Å; D191-G265 PolarHBondContact O-N 3.18Å
192R95.9Very high95.8Very high3 Ų330.7 Ų30.71%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-130142.7179.4-50.9176.2179.176.81.4112.2F180 N181 D188 V190 L262 I263 A264F180-R192 HydrophobicContact CB-CB 4.3Å; F180-R192 WeakPolarHBondContact CB-O 3.48Å; F180-R192 HydrophobicContact CD1-CB 3.97Å; F180-R192 HydrophobicContact CG-CB 4.45Å; N181-R192 PolarHBondContact ND2-NH1 3.43Å; N181-R192 WeakPolarHBondContact OD1-CB 3.48Å; N181-R192 WeakPolarHBondContact OD1-CG 3.37Å; N181-R192 PolarHBondContact OD1-N 3.33Å; N181-R192 VanDerWaalsContact OD1-N 3.08Å; D188-R192 VanDerWaalsContact CG-NH1 3.29Å; D188-R192 IonicContact OD1-CZ 3.18Å; D188-R192 IonicContact OD1-NH1 3.05Å; D188-R192 PolarHBondContact OD1-NH1 2.88Å; D188-R192 IonicContact OD1-NH2 2.63Å; D188-R192 PolarHBondContact OD1-NH2 3.14Å; D188-R192 IonicContact OD2-CZ 2.84Å; D188-R192 IonicContact OD2-NH1 2.86Å; D188-R192 PolarHBondContact OD2-NH1 2.81Å; D188-R192 IonicContact OD2-NH2 3.37Å; D188-R192 PolarHBondContact OD2-NH2 2.82Å; V190-R192 HydrophobicContact CG1-CG 4.34Å; V190-R192 PolarHBondContact O-NH1 3.11Å; R192-L262 HydrophobicContact CB-CD1 4.05Å; R192-I263 CarbonylContact C-O 3.51Å; R192-I263 WeakPolarHBondContact CA-O 2.78Å; R192-A264 HydrophobicContact CG-CB 4.03Å
193A97.5Very high95.9Very high0 Ų029.7 Ų29.70%020%0.203CC..EExtended strand (participates in β ladder)trans-132140.3168.800000110.1W156 L177 F195 L262 I263W156-A193 HydrophobicContact CD2-CB 4.37Å; W156-A193 HydrophobicContact CZ2-CB 3.92Å; W156-A193 VanDerWaalsContact NE1-CB 3.34Å; L177-A193 WeakPolarHBondContact O-CA 3.42Å; A193-F195 HydrophobicContact CB-CE2 3.78Å; A193-F195 HydrophobicContact CB-CZ 3.9Å; A193-L262 CarbonylContact O-C 3.53Å; A193-L262 WeakPolarHBondContact O-CA 3.47Å; A193-I263 PolarHBondContact N-O 3.49Å; A193-I263 PolarHBondContact O-N 2.91Å
194Y98.7Very high96Very high0 Ų030.8 Ų30.80%021%0.21CC..EExtended strand (participates in β ladder)trans-123135.9-175.8177.5-84.9000111.5V175 L177 F180 A196 V214 H215 L232 C260 A261 L262V175-Y194 HydrophobicContact CB-CD1 4.42Å; V175-Y194 HydrophobicContact CB-CE1 4.08Å; V175-Y194 HydrophobicContact CG1-CD1 3.84Å; V175-Y194 HydrophobicContact CG1-CE1 3.87Å; L177-Y194 HydrophobicContact CD1-CD1 4.32Å; L177-Y194 PolarHBondContact N-O 2.91Å; L177-Y194 PolarHBondContact O-N 3.38Å; F180-Y194 VanDerWaalsContact CD2-CB 3.5Å; F180-Y194 HydrophobicContact CD2-CG 4.27Å; F180-Y194 HydrophobicContact CE2-CD2 4.43Å; F180-Y194 HydrophobicContact CE2-CG 4.26Å; Y194-A196 HydrophobicContact CE1-CB 3.58Å; Y194-V214 WeakPolarHBondContact OH-CG1 3.49Å; Y194-H215 HydrophobicContact CD1-CB 3.72Å; Y194-H215 HydrophobicContact CD2-CB 4.23Å; Y194-H215 HydrophobicContact CE1-CB 3.51Å; Y194-H215 HydrophobicContact CE2-CB 4.02Å; Y194-H215 HydrophobicContact CG-CB 4.08Å; Y194-L232 HydrophobicContact CE2-CD2 4.1Å; Y194-C260 HydrophobicContact CE1-CB 4.43Å; Y194-C260 HydrophobicContact CE2-CB 3.56Å; Y194-C260 VanDerWaalsContact CZ-CB 3.49Å; Y194-C260 WeakPolarHBondContact OH-CB 3.39Å; Y194-A261 CarbonylContact C-O 3.56Å; Y194-A261 WeakPolarHBondContact CA-O 3.13Å; Y194-L262 HydrophobicContact CD2-CB 4.49Å; Y194-L262 HydrophobicContact CD2-CD1 4.33Å
195F98.9Very high96.1Very high0 Ų033.7 Ų33.70%023%0.226CC..EExtended strand (participates in β ladder)trans-136.6138.8-179.8-54.7-73.7000109.7W156 V158 V175 A193 C260 A261 I263 L358 M410 V412W156-F195 HydrophobicContact CB-CZ 4.23Å; W156-F195 HydrophobicContact CD2-CZ 4.2Å; W156-F195 HydrophobicContact CG-CZ 4.04Å; V158-F195 HydrophobicContact CG2-CE1 3.78Å; V158-F195 HydrophobicContact CG2-CZ 4.3Å; V175-F195 CarbonylContact O-C 3.47Å; V175-F195 VanDerWaalsContact O-CA 3.29Å; V175-F195 WeakPolarHBondContact O-CA 3.47Å; A193-F195 HydrophobicContact CB-CE2 3.78Å; A193-F195 HydrophobicContact CB-CZ 3.9Å; F195-C260 CarbonylContact O-C 3.44Å; F195-C260 WeakPolarHBondContact O-CA 3.41Å; F195-C260 WeakPolarHBondContact O-CB 3.47Å; F195-A261 PolarHBondContact N-O 3.36Å; F195-A261 PolarHBondContact O-N 2.9Å; F195-I263 HydrophobicContact CE2-CD1 4.18Å; F195-L358 HydrophobicContact CB-CD2 4.42Å; F195-M410 HydrophobicContact CB-SD 3.71Å; F195-M410 HydrophobicContact CD1-SD 3.89Å; F195-M410 HydrophobicContact CG-SD 4.18Å; F195-V412 HydrophobicContact CB-CG2 4.26Å; F195-V412 HydrophobicContact CD1-CG2 3.77Å; F195-V412 HydrophobicContact CD2-CG1 4.23Å; F195-V412 HydrophobicContact CD2-CG2 3.9Å; F195-V412 HydrophobicContact CE1-CG1 4.39Å; F195-V412 HydrophobicContact CE1-CG2 4.08Å; F195-V412 HydrophobicContact CE2-CG1 3.76Å; F195-V412 HydrophobicContact CE2-CG2 4.18Å; F195-V412 HydrophobicContact CG-CG2 3.67Å; F195-V412 HydrophobicContact CZ-CG1 3.85Å; F195-V412 HydrophobicContact CZ-CG2 4.27Å
196A98.9Very high96.3Very high0 Ų032 Ų320%021%0.208CC..EExtended strand (participates in β ladder)trans-152.8155.8178.200000113.9H174 V175 Y194 F198 V259 C260H174-A196 CarbonylContact C-O 3.6Å; H174-A196 WeakPolarHBondContact CA-O 3.05Å; H174-A196 WeakPolarHBondContact CB-O 3.27Å; V175-A196 HydrophobicContact CB-CB 4.24Å; V175-A196 PolarHBondContact N-O 2.92Å; V175-A196 PolarHBondContact O-N 2.65Å; Y194-A196 HydrophobicContact CE1-CB 3.58Å; A196-F198 HydrophobicContact CB-CD2 4.37Å; A196-F198 HydrophobicContact CB-CE2 3.56Å; A196-F198 HydrophobicContact CB-CZ 3.78Å; A196-V259 CarbonylContact C-O 3.55Å; A196-V259 WeakPolarHBondContact CA-O 3.36Å; A196-V259 WeakPolarHBondContact CB-O 3.47Å; A196-C260 HydrophobicContact CB-CB 3.71Å
197V98.9Very high96.5Very high0 Ų030.4 Ų30.40%020%0.2CC..EExtended strand (participates in β ladder)trans-128.9136.2168.4175.30000108H174 G258 V259 L358 C360 T408 M410H174-V197 HydrophobicContact CB-CG2 4.41Å; V197-G258 WeakPolarHBondContact O-CA 3.48Å; V197-V259 HydrophobicContact CB-CG1 4.18Å; V197-V259 PolarHBondContact N-O 2.81Å; V197-V259 PolarHBondContact O-N 3.17Å; V197-L358 HydrophobicContact CG2-CB 3.84Å; V197-C360 HydrophobicContact CG1-CB 4.33Å; V197-T408 HydrophobicContact CG1-CG2 3.94Å; V197-T408 HydrophobicContact CG2-CG2 4.02Å; V197-M410 HydrophobicContact CG2-CB 4.46Å
198F98.9Very high97Very high0 Ų031 Ų310%018%0.183CC..EExtended strand (participates in β ladder)trans-128.3117.1178.3-59.2-79.6000108D172 R173 V175 A196 A207 A210 A211 V214 F236 T257D172-F198 CarbonylContact C-O 3.46Å; D172-F198 WeakPolarHBondContact CA-O 3.3Å; R173-F198 HydrophobicContact CB-CB 4.47Å; R173-F198 PolarHBondContact N-O 3.03Å; R173-F198 PolarHBondContact O-N 2.89Å; V175-F198 HydrophobicContact CG2-CE2 3.97Å; A196-F198 HydrophobicContact CB-CD2 4.37Å; A196-F198 HydrophobicContact CB-CE2 3.56Å; A196-F198 HydrophobicContact CB-CZ 3.78Å; F198-A207 HydrophobicContact CB-CB 4.26Å; F198-A210 HydrophobicContact CD1-CB 3.49Å; F198-A210 VanDerWaalsContact CD1-CB 3.49Å; F198-A210 HydrophobicContact CE1-CB 3.61Å; F198-A210 HydrophobicContact CG-CB 3.99Å; F198-A210 HydrophobicContact CZ-CB 4.19Å; F198-A211 HydrophobicContact CD2-CB 3.98Å; F198-A211 HydrophobicContact CE2-CB 4.18Å; F198-V214 HydrophobicContact CE1-CG2 3.99Å; F198-V214 HydrophobicContact CZ-CB 4.14Å; F198-V214 HydrophobicContact CZ-CG2 4.08Å; F198-F236 HydrophobicContact CE1-CE1 4.14Å; F198-F236 HydrophobicContact CE1-CZ 4.36Å; F198-T257 WeakPolarHBondContact CA-O 3.08Å; F198-T257 WeakPolarHBondContact CD1-O 3.45Å
199D98.9Very high97.3Very high11 Ų1129 Ų296%0.05917%0.172CC..  trans-95.4121.1176.1-169.5-22.2000108.8T256 T257 C360 D361D199-T256 VanDerWaalsContact C-OG1 3.24Å; D199-T256 CarbonylContact O-C 3.57Å; D199-T256 WeakPolarHBondContact O-CA 3.24Å; D199-T256 WeakPolarHBondContact O-CB 3.31Å; D199-T256 PolarHBondContact O-OG1 2.99Å; D199-T257 HydrophobicContact CB-CG2 4.37Å; D199-T257 WeakPolarHBondContact CB-OG1 3.35Å; D199-T257 PolarHBondContact N-OG1 3.13Å; D199-T257 PolarHBondContact O-N 3.29Å; D199-C360 HydrophobicContact CB-CB 3.95Å; D199-C360 WeakPolarHBondContact OD2-CB 3.48Å; D199-D361 VanDerWaalsContact OD2-OD1 3.05Å
200G98.7Very high97.8Very high3 Ų322.6 Ų22.63%0.03113%0.13CC..EExtended strand (participates in β ladder)trans-98.3141.6-174.400000111.9E171E171-G200 WeakPolarHBondContact CB-O 3.4Å
201H98Very high98Very high39 Ų3920.6 Ų20.618%0.18112%0.119CC..EExtended strand (participates in β ladder)trans-135.2151174.358.5-100000111.6G203 S254 G255 D331H201-G203 PolarHBondContact O-N 2.65Å; H201-S254 VanDerWaalsContact O-CA 3.3Å; H201-S254 WeakPolarHBondContact O-CA 3.28Å; H201-S254 WeakPolarHBondContact O-CB 3.47Å; H201-G255 VanDerWaalsContact CE1-C 3.49Å; H201-G255 PolarHBondContact N-O 3.37Å; H201-G255 WeakPolarHBondContact NE2-CA 3.48Å; H201-G255 PolarHBondContact O-N 3.4Å; H201-D331 IonicContact CD2-OD1 2.95Å; H201-D331 PolarHBondContact CD2-OD1 3.1Å; H201-D331 IonicContact CE1-OD1 2.8Å; H201-D331 IonicContact CE1-OD2 3.83Å; H201-D331 PolarHBondContact CE1-OD2 3.19Å; H201-D331 IonicContact NE2-OD1 3.19Å; H201-D331 PolarHBondContact NE2-OD1 3.08Å; H201-D331 IonicContact NE2-OD2 3.69Å; H201-D331 PolarHBondContact NE2-OD2 2.71Å
202G96.5Very high98.3Very high68 Ų6818.4 Ų18.470%0.70111%0.107SC*.SBendtrans67.516.9-176.900000113.6
203G97.3Very high98.4Very high9 Ų918.3 Ų18.39%0.09311%0.107CC..SBendtrans129168.7-172.200000111.8E171 H201 S254E171-G203 WeakPolarHBondContact OE1-CA 3.34Å; E171-G203 PolarHBondContact OE1-N 3.3Å; H201-G203 PolarHBondContact O-N 2.65Å; G203-S254 WeakPolarHBondContact O-CB 3.43Å
204V97.8Very high98.5Very high29 Ų2918.3 Ų18.318%0.17611%0.107CC..SBendtrans-98.8-6.6-174.569.50000113.7E171 A206 A207 R208E171-V204 HydrophobicContact CB-CB 4.48Å; E171-V204 HydrophobicContact CG-CB 4.45Å; E171-V204 WeakPolarHBondContact O-CG2 3.34Å; V204-A206 PolarHBondContact O-N 3.22Å; V204-A207 PolarHBondContact O-N 3.44Å; V204-R208 WeakPolarHBondContact O-CB 3.14Å; V204-R208 PolarHBondContact O-N 2.73Å
205D98.3Very high98.5Very high65 Ų6518.7 Ų18.735%0.34811%0.109SC..Hα-helixtrans-67.1-42.3-167.1-52.5-70.1000111.6R208 Y209 F243 L252 S254D205-R208 PolarHBondContact O-N 2.89Å; D205-Y209 VanDerWaalsContact O-CB 3.27Å; D205-Y209 WeakPolarHBondContact O-CB 3.41Å; D205-Y209 PolarHBondContact O-N 2.95Å; D205-F243 HydrophobicContact CB-CE2 4.37Å; D205-F243 HydrophobicContact CB-CZ 4.34Å; D205-L252 HydrophobicContact CB-CD1 4.04Å; D205-S254 WeakPolarHBondContact CB-OG 3.29Å; D205-S254 PolarHBondContact N-OG 2.9Å
206A98.7Very high98.5Very high0 Ų018.9 Ų18.90%011%0.11CC..Hα-helixtrans-61-47.1174.600000112.4V204 R208 Y209 A210 F243 S254 G255 T256V204-A206 PolarHBondContact O-N 3.22Å; A206-R208 PolarHBondContact O-N 2.84Å; A206-Y209 WeakPolarHBondContact O-CB 3.3Å; A206-Y209 PolarHBondContact O-N 3.45Å; A206-A210 WeakPolarHBondContact O-CB 3.45Å; A206-A210 PolarHBondContact O-N 3.46Å; A206-F243 HydrophobicContact CB-CD1 4.17Å; A206-F243 HydrophobicContact CB-CE1 3.48Å; A206-F243 VanDerWaalsContact CB-CE1 3.48Å; A206-F243 HydrophobicContact CB-CE2 4.34Å; A206-F243 HydrophobicContact CB-CZ 3.58Å; A206-S254 PolarHBondContact N-OG 3.36Å; A206-G255 VanDerWaalsContact CB-C 3.43Å; A206-T256 HydrophobicContact CB-CG2 3.86Å
207A98.8Very high98.5Very high0 Ų019.2 Ų19.20%011%0.112CC..Hα-helixtrans-64.1-41.3178.900000112.3E171 R173 F198 V204 Y209 A211 T256E171-A207 WeakPolarHBondContact O-CB 3.42Å; R173-A207 HydrophobicContact CB-CB 4.4Å; R173-A207 HydrophobicContact CG-CB 4.08Å; F198-A207 HydrophobicContact CB-CB 4.26Å; V204-A207 PolarHBondContact O-N 3.44Å; A207-Y209 VanDerWaalsContact C-N 3.35Å; A207-A211 WeakPolarHBondContact O-CB 3.23Å; A207-A211 PolarHBondContact O-N 2.88Å; A207-T256 WeakPolarHBondContact CA-OG1 3.47Å; A207-T256 WeakPolarHBondContact CB-OG1 3.28Å
208R98.3Very high98.4Very high139 Ų13919.2 Ų19.253%0.52511%0.112SC..Hα-helixtrans-61.2-45.9172.6-179.2-169.9-65.3-103.8-0.8110.7V204 D205 A206 A211 V212V204-R208 WeakPolarHBondContact O-CB 3.14Å; V204-R208 PolarHBondContact O-N 2.73Å; D205-R208 PolarHBondContact O-N 2.89Å; A206-R208 PolarHBondContact O-N 2.84Å; R208-A211 PolarHBondContact O-N 2.8Å; R208-V212 WeakPolarHBondContact O-CG2 3.29Å; R208-V212 PolarHBondContact O-N 2.96Å
209Y98.7Very high98.4Very high6 Ų619.5 Ų19.52%0.02411%0.114CC..Hα-helixtrans-62.7-47.1-179.7-161.4-96.1000111.6E53 D205 A206 A207 A211 V212 H213 T239 M242 F243 K246E53-Y209 HydrophobicContact CG-CE2 4.07Å; E53-Y209 WeakPolarHBondContact CG-OH 3.22Å; E53-Y209 WeakPolarHBondContact OE1-CE2 3.41Å; E53-Y209 PolarHBondContact OE1-OH 3.17Å; D205-Y209 VanDerWaalsContact O-CB 3.27Å; D205-Y209 WeakPolarHBondContact O-CB 3.41Å; D205-Y209 PolarHBondContact O-N 2.95Å; A206-Y209 WeakPolarHBondContact O-CB 3.3Å; A206-Y209 PolarHBondContact O-N 3.45Å; A207-Y209 VanDerWaalsContact C-N 3.35Å; Y209-A211 VanDerWaalsContact C-N 3.31Å; Y209-A211 PolarHBondContact O-N 2.9Å; Y209-V212 PolarHBondContact O-N 2.96Å; Y209-V212 VanDerWaalsContact O-N 3.13Å; Y209-H213 HydrophobicContact CD1-CB 4.3Å; Y209-H213 AromaticContact CD1-CD2 3.63Å; Y209-H213 AromaticContact CD2-CD2 3.49Å; Y209-H213 VanDerWaalsContact CD2-CD2 3.49Å; Y209-H213 WeakPolarHBondContact CD2-CD2 3.48Å; Y209-H213 AromaticContact CD2-NE2 3.82Å; Y209-H213 HydrophobicContact CE1-CB 4.16Å; Y209-H213 AromaticContact CE1-CD2 3.56Å; Y209-H213 AromaticContact CE1-CG 3.95Å; Y209-H213 AromaticContact CE2-CD2 3.4Å; Y209-H213 WeakPolarHBondContact CE2-CD2 3.4Å; Y209-H213 AromaticContact CE2-NE2 3.49Å; Y209-H213 WeakPolarHBondContact CE2-NE2 3.34Å; Y209-H213 AromaticContact CG-CD2 3.62Å; Y209-H213 AromaticContact CZ-CD2 3.47Å; Y209-H213 VanDerWaalsContact CZ-CD2 3.47Å; Y209-H213 AromaticContact CZ-NE2 3.84Å; Y209-H213 WeakPolarHBondContact O-CB 3.13Å; Y209-H213 PolarHBondContact O-CD2 2.9Å; Y209-H213 PolarHBondContact O-N 2.79Å; Y209-T239 HydrophobicContact CD1-CG2 3.86Å; Y209-T239 HydrophobicContact CE1-CG2 4.1Å; Y209-M242 HydrophobicContact CE1-CB 3.94Å; Y209-M242 VanDerWaalsContact OH-CB 3.31Å; Y209-M242 WeakPolarHBondContact OH-CB 3.25Å; Y209-F243 HydrophobicContact CD1-CB 3.58Å; Y209-F243 AromaticContact CD1-CD2 3.7Å; Y209-F243 HydrophobicContact CD1-CD2 3.7Å; Y209-F243 HydrophobicContact CD1-CG 4Å; Y209-F243 AromaticContact CD2-CD2 3.91Å; Y209-F243 HydrophobicContact CD2-CD2 3.91Å; Y209-F243 HydrophobicContact CE1-CB 3.74Å; Y209-F243 HydrophobicContact CE1-CD2 4.31Å; Y209-F243 HydrophobicContact CG-CB 4.26Å; Y209-F243 AromaticContact CG-CD2 3.43Å; Y209-F243 HydrophobicContact CG-CD2 3.43Å; Y209-F243 VanDerWaalsContact CG-CD2 3.43Å; Y209-F243 HydrophobicContact CG-CE2 4.22Å; Y209-F243 HydrophobicContact CG-CG 4.2Å; Y209-K246 HydrophobicContact CD2-CD 3.79Å; Y209-K246 HydrophobicContact CE2-CD 3.56Å
210A98.8Very high98.3Very high0 Ų023.1 Ų23.10%013%0.127CC..Hα-helixtrans-61.4-40.6177.800000112.1F198 A206 V212 H213 V214 T256 I329F198-A210 HydrophobicContact CD1-CB 3.49Å; F198-A210 VanDerWaalsContact CD1-CB 3.49Å; F198-A210 HydrophobicContact CE1-CB 3.61Å; F198-A210 HydrophobicContact CG-CB 3.99Å; F198-A210 HydrophobicContact CZ-CB 4.19Å; A206-A210 WeakPolarHBondContact O-CB 3.45Å; A206-A210 PolarHBondContact O-N 3.46Å; A210-V212 PolarHBondContact O-N 2.82Å; A210-H213 PolarHBondContact O-N 2.94Å; A210-V214 HydrophobicContact CB-CG2 4.1Å; A210-V214 WeakPolarHBondContact O-CB 3.28Å; A210-V214 WeakPolarHBondContact O-CG2 3.44Å; A210-V214 PolarHBondContact O-N 3.07Å; A210-V214 VanDerWaalsContact O-N 3.08Å; A210-T256 HydrophobicContact CB-CG2 3.87Å; A210-I329 HydrophobicContact CB-CD1 3.79Å
211A98.8Very high98.3Very high10 Ų1024 Ų248%0.08313%0.13CC..Hα-helixtrans-59.6-33.1175.900000113R173 V175 F198 A207 R208 Y209 H215R173-A211 HydrophobicContact CB-CB 3.85Å; V175-A211 HydrophobicContact CG2-CB 3.85Å; V175-A211 VanDerWaalsContact CG2-O 3.25Å; V175-A211 WeakPolarHBondContact CG2-O 3.42Å; F198-A211 HydrophobicContact CD2-CB 3.98Å; F198-A211 HydrophobicContact CE2-CB 4.18Å; A207-A211 WeakPolarHBondContact O-CB 3.23Å; A207-A211 PolarHBondContact O-N 2.88Å; R208-A211 PolarHBondContact O-N 2.8Å; Y209-A211 VanDerWaalsContact C-N 3.31Å; Y209-A211 PolarHBondContact O-N 2.9Å; A211-H215 PolarHBondContact O-CE1 2.95Å; A211-H215 PolarHBondContact O-ND1 3.19Å
212V98.6Very high98.2Very high4 Ų427 Ų272%0.02415%0.153CC..Hα-helixtrans-85.4-39.6178.6176.80000112.4G56 E57 E60 R208 Y209 A210 H215 T216G56-V212 WeakPolarHBondContact O-CG1 3.45Å; E57-V212 HydrophobicContact CG-CG1 4.48Å; E60-V212 HydrophobicContact CB-CG1 4.21Å; E60-V212 HydrophobicContact CB-CG2 4.03Å; E60-V212 HydrophobicContact CG-CG2 3.83Å; R208-V212 WeakPolarHBondContact O-CG2 3.29Å; R208-V212 PolarHBondContact O-N 2.96Å; Y209-V212 PolarHBondContact O-N 2.96Å; Y209-V212 VanDerWaalsContact O-N 3.13Å; A210-V212 PolarHBondContact O-N 2.82Å; V212-H215 PolarHBondContact O-CE1 3.05Å; V212-H215 PolarHBondContact O-ND1 2.63Å; V212-T216 PolarHBondContact O-OG1 2.99Å
213H98.8Very high98.2Very high1 Ų127.7 Ų27.71%0.00514%0.138CC..Hα-helixtrans-104.6-26.1-162.2-66.7-66.4000115.1E57 Y209 A210 H215 T216 N217 T239E57-H213 IonicContact OE1-CD2 3.65Å; E57-H213 IonicContact OE1-CE1 2.89Å; E57-H213 IonicContact OE1-NE2 2.73Å; E57-H213 PolarHBondContact OE1-NE2 2.77Å; Y209-H213 HydrophobicContact CD1-CB 4.3Å; Y209-H213 AromaticContact CD1-CD2 3.63Å; Y209-H213 AromaticContact CD2-CD2 3.49Å; Y209-H213 VanDerWaalsContact CD2-CD2 3.49Å; Y209-H213 WeakPolarHBondContact CD2-CD2 3.48Å; Y209-H213 AromaticContact CD2-NE2 3.82Å; Y209-H213 HydrophobicContact CE1-CB 4.16Å; Y209-H213 AromaticContact CE1-CD2 3.56Å; Y209-H213 AromaticContact CE1-CG 3.95Å; Y209-H213 AromaticContact CE2-CD2 3.4Å; Y209-H213 WeakPolarHBondContact CE2-CD2 3.4Å; Y209-H213 AromaticContact CE2-NE2 3.49Å; Y209-H213 WeakPolarHBondContact CE2-NE2 3.34Å; Y209-H213 AromaticContact CG-CD2 3.62Å; Y209-H213 AromaticContact CZ-CD2 3.47Å; Y209-H213 VanDerWaalsContact CZ-CD2 3.47Å; Y209-H213 AromaticContact CZ-NE2 3.84Å; Y209-H213 WeakPolarHBondContact O-CB 3.13Å; Y209-H213 PolarHBondContact O-CD2 2.9Å; Y209-H213 PolarHBondContact O-N 2.79Å; A210-H213 PolarHBondContact O-N 2.94Å; H213-H215 PolarHBondContact O-N 3.05Å; H213-T216 PolarHBondContact O-N 3.24Å; H213-N217 VanDerWaalsContact O-CB 3.24Å; H213-N217 WeakPolarHBondContact O-CB 3.35Å; H213-N217 VanDerWaalsContact O-CG 3.3Å; H213-N217 PolarHBondContact O-N 3.41Å; H213-N217 PolarHBondContact O-ND2 3.06Å; H213-T239 HydrophobicContact CB-CG2 3.85Å
214V98.9Very high98.3Very high0 Ų027.5 Ų27.50%014%0.135CC..Hα-helixtrans-62.2-49.1-177.71730000111.3Y194 F198 A210 N217 A218 A235 F236 T239 I329Y194-V214 WeakPolarHBondContact OH-CG1 3.49Å; F198-V214 HydrophobicContact CE1-CG2 3.99Å; F198-V214 HydrophobicContact CZ-CB 4.14Å; F198-V214 HydrophobicContact CZ-CG2 4.08Å; A210-V214 HydrophobicContact CB-CG2 4.1Å; A210-V214 WeakPolarHBondContact O-CB 3.28Å; A210-V214 WeakPolarHBondContact O-CG2 3.44Å; A210-V214 PolarHBondContact O-N 3.07Å; A210-V214 VanDerWaalsContact O-N 3.08Å; V214-N217 PolarHBondContact O-N 2.99Å; V214-A218 WeakPolarHBondContact O-CB 3.4Å; V214-A218 PolarHBondContact O-N 3.19Å; V214-A235 WeakPolarHBondContact O-CB 3.14Å; V214-F236 HydrophobicContact CG1-CD2 4.13Å; V214-F236 HydrophobicContact CG1-CE1 4.46Å; V214-F236 HydrophobicContact CG1-CE2 3.97Å; V214-F236 HydrophobicContact CG1-CG 4.44Å; V214-F236 HydrophobicContact CG1-CZ 4.14Å; V214-F236 HydrophobicContact CG2-CD1 4.32Å; V214-F236 HydrophobicContact CG2-CE1 4.32Å; V214-T239 WeakPolarHBondContact CA-OG1 3.47Å; V214-T239 HydrophobicContact CG2-CG2 3.91Å; V214-I329 HydrophobicContact CG2-CD1 4Å
215H98.7Very high98.2Very high8 Ų829.9 Ų29.94%0.03715%0.151CC..Hα-helixtrans-72.8-34.7-176.969.4-84.5000112L177 F180 F184 Y194 A211 V212 H213 A218 A219L177-H215 HydrophobicContact CD1-CB 4.36Å; L177-H215 WeakPolarHBondContact CD1-CD2 3.38Å; L177-H215 WeakPolarHBondContact CD1-NE2 3.24Å; F180-H215 HydrophobicContact CE2-CB 4.14Å; F184-H215 AromaticContact CE2-CD2 3.68Å; F184-H215 AromaticContact CZ-CD2 3.39Å; F184-H215 WeakPolarHBondContact CZ-CD2 3.46Å; F184-H215 AromaticContact CZ-NE2 3.87Å; Y194-H215 HydrophobicContact CD1-CB 3.72Å; Y194-H215 HydrophobicContact CD2-CB 4.23Å; Y194-H215 HydrophobicContact CE1-CB 3.51Å; Y194-H215 HydrophobicContact CE2-CB 4.02Å; Y194-H215 HydrophobicContact CG-CB 4.08Å; A211-H215 PolarHBondContact O-CE1 2.95Å; A211-H215 PolarHBondContact O-ND1 3.19Å; V212-H215 PolarHBondContact O-CE1 3.05Å; V212-H215 PolarHBondContact O-ND1 2.63Å; H213-H215 PolarHBondContact O-N 3.05Å; H215-A218 PolarHBondContact O-N 2.81Å; H215-A219 PolarHBondContact O-N 3.25Å
216T98.6Very high98.1Very high5 Ų532.6 Ų32.63%0.03117%0.17CC..Hα-helixtrans-61.1-49.3171.1-57.90000111.3E55 F184 V212 H213 A218 A219 R220E55-T216 HydrophobicContact CB-CG2 4.21Å; E55-T216 HydrophobicContact CG-CG2 3.94Å; F184-T216 HydrophobicContact CE1-CG2 4.09Å; V212-T216 PolarHBondContact O-OG1 2.99Å; H213-T216 PolarHBondContact O-N 3.24Å; T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 3.37Å; T216-A219 PolarHBondContact O-N 2.87Å; T216-R220 WeakPolarHBondContact O-CG 3.44Å; T216-R220 PolarHBondContact O-N 3.13Å
217N98.8Very high98.1Very high6 Ų636.3 Ų36.33%0.03219%0.19CC..Hα-helixtrans-64.1-36.5177.7-78-34.7000112.2H213 V214 R220 Q221 A235 T239 M242H213-N217 VanDerWaalsContact O-CB 3.24Å; H213-N217 WeakPolarHBondContact O-CB 3.35Å; H213-N217 VanDerWaalsContact O-CG 3.3Å; H213-N217 PolarHBondContact O-N 3.41Å; H213-N217 PolarHBondContact O-ND2 3.06Å; V214-N217 PolarHBondContact O-N 2.99Å; N217-R220 PolarHBondContact O-N 2.9Å; N217-Q221 WeakPolarHBondContact O-CG 3.43Å; N217-Q221 PolarHBondContact O-N 3.44Å; N217-Q221 PolarHBondContact O-NE2 3.38Å; N217-Q221 VanDerWaalsContact O-NE2 3.15Å; N217-A235 HydrophobicContact CB-CB 3.92Å; N217-T239 PolarHBondContact ND2-OG1 3.37Å; N217-M242 PolarHBondContact ND2-SD 3.28Å; N217-M242 VanDerWaalsContact ND2-SD 3.36Å
218A98.6Very high98Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-64.5-42175.600000112V214 H215 T216 R220 Q221 L232 A235V214-A218 WeakPolarHBondContact O-CB 3.4Å; V214-A218 PolarHBondContact O-N 3.19Å; H215-A218 PolarHBondContact O-N 2.81Å; T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 3.37Å; A218-R220 PolarHBondContact O-N 3.4Å; A218-R220 VanDerWaalsContact O-N 3.13Å; A218-Q221 PolarHBondContact O-N 3.08Å; A218-L232 HydrophobicContact CB-CD2 3.92Å; A218-A235 HydrophobicContact CB-CB 3.69Å
219A98.3Very high98.1Very high6 Ų630.9 Ų30.95%0.0517%0.174CC..Hα-helixtrans-63.6-17.3178.900000114F180 F184 H215 T216F180-A219 HydrophobicContact CE1-CB 4.01Å; F180-A219 HydrophobicContact CZ-CB 3.67Å; F184-A219 HydrophobicContact CB-CB 3.66Å; F184-A219 HydrophobicContact CD1-CB 3.74Å; F184-A219 HydrophobicContact CD2-CB 3.4Å; F184-A219 VanDerWaalsContact CD2-CB 3.4Å; F184-A219 HydrophobicContact CE1-CB 4.26Å; F184-A219 HydrophobicContact CE2-CB 3.96Å; F184-A219 HydrophobicContact CG-CB 3.29Å; F184-A219 HydrophobicContact CZ-CB 4.36Å; H215-A219 PolarHBondContact O-N 3.25Å; T216-A219 PolarHBondContact O-N 2.87Å
220R97.3Very high98Very high87 Ų8731.5 Ų31.533%0.32818%0.182SC..THydrogen-bonded Turntrans-106.40.2-178.7-59.1-66.1168-122.410.5113.4E55 F184 T216 N217 A218E55-R220 IonicContact OE1-CZ 3.55Å; E55-R220 IonicContact OE1-NE 3.76Å; E55-R220 PolarHBondContact OE1-NE 3.29Å; E55-R220 IonicContact OE1-NH2 2.64Å; E55-R220 PolarHBondContact OE1-NH2 3.44Å; E55-R220 IonicContact OE2-NE 3.82Å; E55-R220 PolarHBondContact OE2-NE 2.82Å; F184-R220 PolarHBondContact O-NH1 3.45Å; F184-R220 PolarHBondContact O-NH2 3.37Å; T216-R220 WeakPolarHBondContact O-CG 3.44Å; T216-R220 PolarHBondContact O-N 3.13Å; N217-R220 PolarHBondContact O-N 2.9Å; A218-R220 PolarHBondContact O-N 3.4Å; A218-R220 VanDerWaalsContact O-N 3.13Å
221Q97.8Very high98Very high21 Ų2131.5 Ų31.510%0.09818%0.182CC..  trans-72.6127.6173.4-64.1-51.2-39.400110.7N217 A218 E223 L224 A231 E234N217-Q221 WeakPolarHBondContact O-CG 3.43Å; N217-Q221 PolarHBondContact O-N 3.44Å; N217-Q221 PolarHBondContact O-NE2 3.38Å; N217-Q221 VanDerWaalsContact O-NE2 3.15Å; A218-Q221 PolarHBondContact O-N 3.08Å; Q221-E223 PolarHBondContact O-N 3.03Å; Q221-L224 WeakPolarHBondContact O-CB 3.42Å; Q221-L224 PolarHBondContact O-N 2.91Å; Q221-L224 VanDerWaalsContact O-N 3.09Å; Q221-A231 HydrophobicContact CB-CB 3.64Å; Q221-A231 HydrophobicContact CG-CB 4.02Å; Q221-A231 WeakPolarHBondContact CG-O 3.31Å; Q221-E234 HydrophobicContact CG-CB 4.43Å; Q221-E234 HydrophobicContact CG-CG 4.44Å; Q221-E234 VanDerWaalsContact OE1-CG 3.26Å
222P96.3Very high98Very high103 Ų10331 Ų3167%0.66918%0.178SC*.THydrogen-bonded Turntrans-55.7-30.5174.1-25.134.1000113.3L224 P225P222-L224 VanDerWaalsContact C-N 3.31Å; P222-L224 PolarHBondContact O-N 3.37Å; P222-P225 WeakPolarHBondContact O-CD 3.39Å
223E96.6Very high98Very high83 Ų8335.9 Ų35.939%0.38820%0.196SC..THydrogen-bonded Turntrans-76.8-15.1-178-64.672.4-158.300112.6Q221 P225 T226 D227 A231Q221-E223 PolarHBondContact O-N 3.03Å; E223-P225 VanDerWaalsContact C-N 3.28Å; E223-T226 PolarHBondContact O-N 3.48Å; E223-T226 PolarHBondContact O-OG1 3.03Å; E223-D227 HydrophobicContact CB-CB 4.39Å; E223-D227 CarbonylContact O-C 3.56Å; E223-D227 PolarHBondContact O-N 3.34Å; E223-A231 HydrophobicContact CB-CB 4.44Å
224L98.1Very high98Very high5 Ų538.5 Ų38.53%0.02621%0.208CC..THydrogen-bonded Turntrans-49.7-37.7-176.2-177.369.6000114.7F180 L186 Q221 P222 P228 A231 L262F180-L224 HydrophobicContact CE1-CD2 4.23Å; L186-L224 HydrophobicContact CD1-CD2 3.79Å; Q221-L224 WeakPolarHBondContact O-CB 3.42Å; Q221-L224 PolarHBondContact O-N 2.91Å; Q221-L224 VanDerWaalsContact O-N 3.09Å; P222-L224 VanDerWaalsContact C-N 3.31Å; P222-L224 PolarHBondContact O-N 3.37Å; L224-P228 HydrophobicContact CD1-CB 4.42Å; L224-P228 VanDerWaalsContact O-CG 3.29Å; L224-P228 WeakPolarHBondContact O-CG 3.18Å; L224-A231 HydrophobicContact CB-CB 4.1Å; L224-A231 HydrophobicContact CD1-CB 4.16Å; L224-L262 HydrophobicContact CD1-CD2 3.78Å
225P96.3Very high98Very high78 Ų7838.5 Ų38.551%0.50621%0.208SC..THydrogen-bonded Turntrans-75.2-21.1177.2-18.634.6000114.7P222 E223P222-P225 WeakPolarHBondContact O-CD 3.39Å; E223-P225 VanDerWaalsContact C-N 3.28Å
226T96.4Very high98Very high123 Ų12338.1 Ų38.176%0.75521%0.206SC*.THydrogen-bonded Turntrans-117.6-37-168.9560000113.7E223E223-T226 PolarHBondContact O-N 3.48Å; E223-T226 PolarHBondContact O-OG1 3.03Å
227D98.1Very high98Very high78 Ų7842.3 Ų42.342%0.41722%0.222SC..  trans-135.278172.1179.814.5000110.2E223 A229 G230 A231E223-D227 HydrophobicContact CB-CB 4.39Å; E223-D227 CarbonylContact O-C 3.56Å; E223-D227 PolarHBondContact O-N 3.34Å; D227-A229 PolarHBondContact O-N 3.41Å; D227-A229 PolarHBondContact OD1-N 3Å; D227-G230 PolarHBondContact O-N 3.16Å; D227-G230 PolarHBondContact OD1-N 3.01Å; D227-G230 WeakPolarHBondContact OD2-CA 3.18Å; D227-G230 PolarHBondContact OD2-N 2.95Å; D227-A231 WeakPolarHBondContact O-CB 3.16Å; D227-A231 PolarHBondContact O-N 3.49Å
228P98.4Very high98Very high15 Ų1545.8 Ų45.810%0.09723%0.234CC..Hα-helixtrans-61.3-29.7178.8-17.926.7000113.4L224 A231 L232 L262 H269L224-P228 HydrophobicContact CD1-CB 4.42Å; L224-P228 VanDerWaalsContact O-CG 3.29Å; L224-P228 WeakPolarHBondContact O-CG 3.18Å; P228-A231 PolarHBondContact O-N 2.92Å; P228-L232 VanDerWaalsContact O-CG 3.3Å; P228-L232 WeakPolarHBondContact O-CG 3.37Å; P228-L232 PolarHBondContact O-N 3.28Å; P228-L262 HydrophobicContact CB-CD2 4.03Å; P228-H269 HydrophobicContact CB-CB 4.43Å
229A98.4Very high98Very high9 Ų945.8 Ų45.87%0.07423%0.234CC..Hα-helixtrans-71.4-42.8177.900000111.8D227 A231 L232 R233 A344 S346D227-A229 PolarHBondContact O-N 3.41Å; D227-A229 PolarHBondContact OD1-N 3Å; A229-A231 VanDerWaalsContact C-N 3.34Å; A229-L232 PolarHBondContact O-N 2.92Å; A229-R233 PolarHBondContact O-N 2.69Å; A229-A344 HydrophobicContact CB-CB 4.04Å; A229-S346 WeakPolarHBondContact CB-OG 3.49Å
230G98.3Very high98Very high20 Ų2046 Ų4621%0.20624%0.235CC..Hα-helixtrans-60.2-43.6170.300000112.1D227 L232 R233 E234D227-G230 PolarHBondContact O-N 3.16Å; D227-G230 PolarHBondContact OD1-N 3.01Å; D227-G230 WeakPolarHBondContact OD2-CA 3.18Å; D227-G230 PolarHBondContact OD2-N 2.95Å; G230-L232 VanDerWaalsContact C-N 3.34Å; G230-L232 PolarHBondContact O-N 3.32Å; G230-R233 PolarHBondContact O-N 3.48Å; G230-E234 WeakPolarHBondContact O-CB 3.2Å; G230-E234 PolarHBondContact O-N 3.38Å
231A98.6Very high98.1Very high0 Ų045 Ų450%023%0.234CC..Hα-helixtrans-58.4-42.4175.100000112.7Q221 E223 L224 D227 P228 A229 E234 A235Q221-A231 HydrophobicContact CB-CB 3.64Å; Q221-A231 HydrophobicContact CG-CB 4.02Å; Q221-A231 WeakPolarHBondContact CG-O 3.31Å; E223-A231 HydrophobicContact CB-CB 4.44Å; L224-A231 HydrophobicContact CB-CB 4.1Å; L224-A231 HydrophobicContact CD1-CB 4.16Å; D227-A231 WeakPolarHBondContact O-CB 3.16Å; D227-A231 PolarHBondContact O-N 3.49Å; P228-A231 PolarHBondContact O-N 2.92Å; A229-A231 VanDerWaalsContact C-N 3.34Å; A231-E234 PolarHBondContact O-N 2.87Å; A231-A235 VanDerWaalsContact O-CB 3.32Å; A231-A235 WeakPolarHBondContact O-CB 3.42Å; A231-A235 PolarHBondContact O-N 2.9Å
232L98.8Very high98Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-65.3-43.6175.6-70.9174.2000112Y194 A218 P228 A229 G230 E234 A235 F236 L262 H269 A271Y194-L232 HydrophobicContact CE2-CD2 4.1Å; A218-L232 HydrophobicContact CB-CD2 3.92Å; P228-L232 VanDerWaalsContact O-CG 3.3Å; P228-L232 WeakPolarHBondContact O-CG 3.37Å; P228-L232 PolarHBondContact O-N 3.28Å; A229-L232 PolarHBondContact O-N 2.92Å; G230-L232 VanDerWaalsContact C-N 3.34Å; G230-L232 PolarHBondContact O-N 3.32Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-E234 PolarHBondContact O-N 3.4Å; L232-A235 WeakPolarHBondContact O-CB 3.41Å; L232-A235 PolarHBondContact O-N 2.8Å; L232-F236 WeakPolarHBondContact O-CD2 3.49Å; L232-F236 PolarHBondContact O-N 2.82Å; L232-L262 HydrophobicContact CD1-CB 3.96Å; L232-L262 HydrophobicContact CD2-CB 4.44Å; L232-H269 HydrophobicContact CD1-CB 3.99Å; L232-A271 HydrophobicContact CB-CB 3.57Å; L232-A271 HydrophobicContact CD1-CB 4.14Å; L232-A271 HydrophobicContact CG-CB 4.47Å
233R98.4Very high98.1Very high106 Ų10639.3 Ų39.340%0.420%0.198SC..Hα-helixtrans-58-46.6175.7-76.8176.835.5105.8-3.7111.9A229 G230 A235 F236 R237 A342 A344A229-R233 PolarHBondContact O-N 2.69Å; G230-R233 PolarHBondContact O-N 3.48Å; R233-A235 VanDerWaalsContact C-N 3.29Å; R233-A235 PolarHBondContact O-N 3.43Å; R233-F236 PolarHBondContact O-N 2.98Å; R233-R237 PolarHBondContact O-N 3.47Å; R233-R237 VanDerWaalsContact O-N 3.08Å; R233-A342 WeakPolarHBondContact CG-O 3.48Å; R233-A342 PolarHBondContact NH1-O 2.84Å; R233-A344 HydrophobicContact CG-CB 3.53Å
234E98.6Very high98.2Very high55 Ų5537.4 Ų37.426%0.25719%0.19SC..Hα-helixtrans-65.2-35.9179-178.250.4-146.200111.4Q221 G230 A231 L232 R237 R238Q221-E234 HydrophobicContact CG-CB 4.43Å; Q221-E234 HydrophobicContact CG-CG 4.44Å; Q221-E234 VanDerWaalsContact OE1-CG 3.26Å; G230-E234 WeakPolarHBondContact O-CB 3.2Å; G230-E234 PolarHBondContact O-N 3.38Å; A231-E234 PolarHBondContact O-N 2.87Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-E234 PolarHBondContact O-N 3.4Å; E234-R237 VanDerWaalsContact CD-NE 3.34Å; E234-R237 PolarHBondContact O-N 3.31Å; E234-R237 IonicContact OE1-CZ 2.78Å; E234-R237 VanDerWaalsContact OE1-CZ 3.28Å; E234-R237 IonicContact OE1-NE 2.77Å; E234-R237 PolarHBondContact OE1-NE 3.37Å; E234-R237 VanDerWaalsContact OE1-NE 3.14Å; E234-R237 IonicContact OE1-NH2 3.54Å; E234-R237 PolarHBondContact OE1-NH2 2.81Å; E234-R237 IonicContact OE2-CZ 3.74Å; E234-R237 IonicContact OE2-NE 3.98Å; E234-R237 PolarHBondContact OE2-NE 2.8Å; E234-R237 IonicContact OE2-NH2 3.26Å; E234-R238 WeakPolarHBondContact O-CB 3.39Å; E234-R238 PolarHBondContact O-N 2.89Å
235A98.8Very high98Very high0 Ų041.8 Ų41.80%021%0.207CC..Hα-helixtrans-64.4-38.8174.900000113.5V214 N217 A218 A231 L232 R233 T239V214-A235 WeakPolarHBondContact O-CB 3.14Å; N217-A235 HydrophobicContact CB-CB 3.92Å; A218-A235 HydrophobicContact CB-CB 3.69Å; A231-A235 VanDerWaalsContact O-CB 3.32Å; A231-A235 WeakPolarHBondContact O-CB 3.42Å; A231-A235 PolarHBondContact O-N 2.9Å; L232-A235 WeakPolarHBondContact O-CB 3.41Å; L232-A235 PolarHBondContact O-N 2.8Å; R233-A235 VanDerWaalsContact C-N 3.29Å; R233-A235 PolarHBondContact O-N 3.43Å; A235-T239 VanDerWaalsContact O-CB 3.28Å; A235-T239 WeakPolarHBondContact O-CB 3.29Å; A235-T239 PolarHBondContact O-N 2.87Å; A235-T239 PolarHBondContact O-OG1 2.62Å
236F98.8Very high98Very high0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-62.4-49.4171.2-88.4-83.7000111.2F198 V214 L232 R233 R238 T239 D240 A271 L273 I329 A342F198-F236 HydrophobicContact CE1-CE1 4.14Å; F198-F236 HydrophobicContact CE1-CZ 4.36Å; V214-F236 HydrophobicContact CG1-CD2 4.13Å; V214-F236 HydrophobicContact CG1-CE1 4.46Å; V214-F236 HydrophobicContact CG1-CE2 3.97Å; V214-F236 HydrophobicContact CG1-CG 4.44Å; V214-F236 HydrophobicContact CG1-CZ 4.14Å; V214-F236 HydrophobicContact CG2-CD1 4.32Å; V214-F236 HydrophobicContact CG2-CE1 4.32Å; L232-F236 WeakPolarHBondContact O-CD2 3.49Å; L232-F236 PolarHBondContact O-N 2.82Å; R233-F236 PolarHBondContact O-N 2.98Å; F236-R238 PolarHBondContact O-N 3.21Å; F236-T239 PolarHBondContact O-N 2.94Å; F236-D240 PolarHBondContact O-N 3.18Å; F236-A271 HydrophobicContact CD2-CB 4.07Å; F236-A271 HydrophobicContact CE2-CB 3.8Å; F236-L273 HydrophobicContact CD1-CB 4.44Å; F236-I329 HydrophobicContact CD1-CD1 3.82Å; F236-I329 HydrophobicContact CD1-CG1 4.44Å; F236-I329 HydrophobicContact CE1-CD1 4.26Å; F236-A342 HydrophobicContact CB-CB 3.64Å; F236-A342 HydrophobicContact CD1-CB 4.36Å; F236-A342 HydrophobicContact CD2-CB 3.74Å; F236-A342 HydrophobicContact CE2-CB 4.49Å; F236-A342 HydrophobicContact CG-CB 3.67Å
237R98.6Very high97.9Very high94 Ų9433.6 Ų33.636%0.35515%0.153SC..Hα-helixtrans-58.5-46.8179.5-169.9-16874.695.59.4111.9R233 E234 D240 Q241R233-R237 PolarHBondContact O-N 3.47Å; R233-R237 VanDerWaalsContact O-N 3.08Å; E234-R237 VanDerWaalsContact CD-NE 3.34Å; E234-R237 PolarHBondContact O-N 3.31Å; E234-R237 IonicContact OE1-CZ 2.78Å; E234-R237 VanDerWaalsContact OE1-CZ 3.28Å; E234-R237 IonicContact OE1-NE 2.77Å; E234-R237 PolarHBondContact OE1-NE 3.37Å; E234-R237 VanDerWaalsContact OE1-NE 3.14Å; E234-R237 IonicContact OE1-NH2 3.54Å; E234-R237 PolarHBondContact OE1-NH2 2.81Å; E234-R237 IonicContact OE2-CZ 3.74Å; E234-R237 IonicContact OE2-NE 3.98Å; E234-R237 PolarHBondContact OE2-NE 2.8Å; E234-R237 IonicContact OE2-NH2 3.26Å; R237-D240 PolarHBondContact O-N 2.85Å; R237-Q241 WeakPolarHBondContact O-CG 3.29Å; R237-Q241 PolarHBondContact O-N 2.84Å; R237-Q241 VanDerWaalsContact O-N 3.11Å
238R98.4Very high97.7Very high78 Ų7836.4 Ų36.429%0.29416%0.161SC..Hα-helixtrans-63.7-44.2178.2-174.8174.4-177.1178.40.6111.4E52 E234 F236 D240 Q241 M242E52-R238 IonicContact OE1-CZ 3.01Å; E52-R238 IonicContact OE1-NE 3.92Å; E52-R238 IonicContact OE1-NH2 3.89Å; E52-R238 PolarHBondContact OE1-NH2 3.41Å; E234-R238 WeakPolarHBondContact O-CB 3.39Å; E234-R238 PolarHBondContact O-N 2.89Å; F236-R238 PolarHBondContact O-N 3.21Å; R238-D240 VanDerWaalsContact C-N 3.34Å; R238-D240 PolarHBondContact O-N 2.82Å; R238-Q241 PolarHBondContact O-N 2.86Å; R238-M242 HydrophobicContact CG-CG 4.44Å; R238-M242 HydrophobicContact CG-SD 3.97Å; R238-M242 VanDerWaalsContact O-CG 3.29Å; R238-M242 WeakPolarHBondContact O-CG 3.44Å; R238-M242 PolarHBondContact O-N 3.39Å
239T98.8Very high97.3Very high0 Ų038.9 Ų38.90%017%0.169CC..Hα-helixtrans-61.7-41.2177-55.50000111.9Y209 H213 V214 N217 A235 F236 M242 F243 I329Y209-T239 HydrophobicContact CD1-CG2 3.86Å; Y209-T239 HydrophobicContact CE1-CG2 4.1Å; H213-T239 HydrophobicContact CB-CG2 3.85Å; V214-T239 WeakPolarHBondContact CA-OG1 3.47Å; V214-T239 HydrophobicContact CG2-CG2 3.91Å; N217-T239 PolarHBondContact ND2-OG1 3.37Å; A235-T239 VanDerWaalsContact O-CB 3.28Å; A235-T239 WeakPolarHBondContact O-CB 3.29Å; A235-T239 PolarHBondContact O-N 2.87Å; A235-T239 PolarHBondContact O-OG1 2.62Å; F236-T239 PolarHBondContact O-N 2.94Å; T239-M242 PolarHBondContact O-N 2.95Å; T239-F243 WeakPolarHBondContact O-CB 3.43Å; T239-F243 PolarHBondContact O-N 2.85Å; T239-I329 HydrophobicContact CG2-CD1 4.03Å
240D98.8Very high97Very high11 Ų1142 Ų426%0.05918%0.182CC..Hα-helixtrans-59.4-47.8174.6-170.543.7000111.2F236 R237 R238 M242 F243 L244 I329 G330 K335 G340F236-D240 PolarHBondContact O-N 3.18Å; R237-D240 PolarHBondContact O-N 2.85Å; R238-D240 VanDerWaalsContact C-N 3.34Å; R238-D240 PolarHBondContact O-N 2.82Å; D240-M242 PolarHBondContact O-N 3.31Å; D240-F243 PolarHBondContact O-N 2.93Å; D240-L244 WeakPolarHBondContact O-CB 3.38Å; D240-L244 VanDerWaalsContact O-CG 3.26Å; D240-L244 WeakPolarHBondContact O-CG 3.27Å; D240-L244 PolarHBondContact O-N 3.06Å; D240-I329 HydrophobicContact CB-CG1 4.18Å; D240-I329 VanDerWaalsContact OD1-CA 3.27Å; D240-I329 WeakPolarHBondContact OD1-CA 3.48Å; D240-G330 PolarHBondContact OD1-N 3.21Å; D240-K335 IonicContact OD1-NZ 2.88Å; D240-K335 PolarHBondContact OD1-NZ 3.44Å; D240-K335 IonicContact OD2-NZ 4Å; D240-K335 PolarHBondContact OD2-NZ 3.35Å; D240-G340 VanDerWaalsContact OD2-CA 3.29Å; D240-G340 WeakPolarHBondContact OD2-CA 3.29Å
241Q98.1Very high96.7Very high66 Ų6650.1 Ų50.131%0.30821%0.206SC..Hα-helixtrans-61.5-43178.5-70.9171.75.800113R237 R238 R245R237-Q241 WeakPolarHBondContact O-CG 3.29Å; R237-Q241 PolarHBondContact O-N 2.84Å; R237-Q241 VanDerWaalsContact O-N 3.11Å; R238-Q241 PolarHBondContact O-N 2.86Å; Q241-R245 WeakPolarHBondContact O-CG 3.3Å; Q241-R245 PolarHBondContact O-N 2.7Å
242M97.5Very high96.6Very high5 Ų551.5 Ų51.53%0.02521%0.214CC..Hα-helixtrans-62.9-44.9176.1-68.2168.856.600110.7E52 E53 Y209 N217 R238 T239 D240 R245 K246E52-M242 HydrophobicContact CB-CE 3.77Å; E52-M242 HydrophobicContact CB-SD 4.26Å; E52-M242 WeakPolarHBondContact O-CE 3.45Å; E53-M242 HydrophobicContact CG-CE 4.16Å; Y209-M242 HydrophobicContact CE1-CB 3.94Å; Y209-M242 VanDerWaalsContact OH-CB 3.31Å; Y209-M242 WeakPolarHBondContact OH-CB 3.25Å; N217-M242 PolarHBondContact ND2-SD 3.28Å; N217-M242 VanDerWaalsContact ND2-SD 3.36Å; R238-M242 HydrophobicContact CG-CG 4.44Å; R238-M242 HydrophobicContact CG-SD 3.97Å; R238-M242 VanDerWaalsContact O-CG 3.29Å; R238-M242 WeakPolarHBondContact O-CG 3.44Å; R238-M242 PolarHBondContact O-N 3.39Å; T239-M242 PolarHBondContact O-N 2.95Å; D240-M242 PolarHBondContact O-N 3.31Å; M242-R245 PolarHBondContact O-N 2.77Å; M242-K246 PolarHBondContact O-N 3.21Å; M242-K246 VanDerWaalsContact O-N 3.08Å
243F98Very high96.4Very high0 Ų057.5 Ų57.50%024%0.242CC..Hα-helixtrans-67.5-39179.3-172.5-109.8000112.7D205 A206 Y209 T239 D240 R245 K246 A247 L252 I329 G330D205-F243 HydrophobicContact CB-CE2 4.37Å; D205-F243 HydrophobicContact CB-CZ 4.34Å; A206-F243 HydrophobicContact CB-CD1 4.17Å; A206-F243 HydrophobicContact CB-CE1 3.48Å; A206-F243 VanDerWaalsContact CB-CE1 3.48Å; A206-F243 HydrophobicContact CB-CE2 4.34Å; A206-F243 HydrophobicContact CB-CZ 3.58Å; Y209-F243 HydrophobicContact CD1-CB 3.58Å; Y209-F243 AromaticContact CD1-CD2 3.7Å; Y209-F243 HydrophobicContact CD1-CD2 3.7Å; Y209-F243 HydrophobicContact CD1-CG 4Å; Y209-F243 AromaticContact CD2-CD2 3.91Å; Y209-F243 HydrophobicContact CD2-CD2 3.91Å; Y209-F243 HydrophobicContact CE1-CB 3.74Å; Y209-F243 HydrophobicContact CE1-CD2 4.31Å; Y209-F243 HydrophobicContact CG-CB 4.26Å; Y209-F243 AromaticContact CG-CD2 3.43Å; Y209-F243 HydrophobicContact CG-CD2 3.43Å; Y209-F243 VanDerWaalsContact CG-CD2 3.43Å; Y209-F243 HydrophobicContact CG-CE2 4.22Å; Y209-F243 HydrophobicContact CG-CG 4.2Å; T239-F243 WeakPolarHBondContact O-CB 3.43Å; T239-F243 PolarHBondContact O-N 2.85Å; D240-F243 PolarHBondContact O-N 2.93Å; F243-R245 VanDerWaalsContact C-N 3.31Å; F243-R245 PolarHBondContact O-N 3.32Å; F243-K246 HydrophobicContact CD2-CD 4.46Å; F243-K246 CarbonylContact O-C 3.59Å; F243-K246 WeakPolarHBondContact O-CB 3.08Å; F243-K246 PolarHBondContact O-N 3.19Å; F243-A247 HydrophobicContact CE1-CB 4.25Å; F243-A247 HydrophobicContact CZ-CB 4.48Å; F243-A247 WeakPolarHBondContact O-CB 3.49Å; F243-A247 PolarHBondContact O-N 3.26Å; F243-L252 HydrophobicContact CE2-CD1 4.13Å; F243-L252 HydrophobicContact CZ-CD1 4.3Å; F243-I329 HydrophobicContact CB-CG2 4.1Å; F243-I329 HydrophobicContact CD1-CG2 4.06Å; F243-I329 HydrophobicContact CG-CG2 4.25Å; F243-G330 VanDerWaalsContact CD1-CA 3.49Å
244L97.6Very high96.4Very high42 Ų4252.6 Ų52.622%0.2222%0.223CC..Hα-helixtrans-61.1-39.5176.4-71.8172.6000111.8D240 A247 K248 V332 K335D240-L244 WeakPolarHBondContact O-CB 3.38Å; D240-L244 VanDerWaalsContact O-CG 3.26Å; D240-L244 WeakPolarHBondContact O-CG 3.27Å; D240-L244 PolarHBondContact O-N 3.06Å; L244-A247 PolarHBondContact O-N 3.46Å; L244-K248 PolarHBondContact O-N 2.89Å; L244-V332 HydrophobicContact CD2-CB 4.35Å; L244-V332 HydrophobicContact CD2-CG2 3.74Å; L244-K335 HydrophobicContact CD1-CD 4.4Å; L244-K335 HydrophobicContact CD1-CG 4.41Å; L244-K335 HydrophobicContact CD2-CG 4.21Å
245R95.4Very high96.4Very high98 Ų9850 Ų5037%0.3721%0.211SC..Hα-helixtrans-64.9-44.7173.6-66.2178.2-157.1134.32.7111.6E52 Q241 M242 F243 A247 R249E52-R245 IonicContact OE2-NH1 3.51Å; E52-R245 PolarHBondContact OE2-NH1 2.79Å; Q241-R245 WeakPolarHBondContact O-CG 3.3Å; Q241-R245 PolarHBondContact O-N 2.7Å; M242-R245 PolarHBondContact O-N 2.77Å; F243-R245 VanDerWaalsContact C-N 3.31Å; F243-R245 PolarHBondContact O-N 3.32Å; R245-A247 VanDerWaalsContact C-N 3.33Å; R245-R249 WeakPolarHBondContact O-CB 3.4Å; R245-R249 PolarHBondContact O-N 3.32Å; R245-R249 VanDerWaalsContact O-N 3.15Å
246K94.4Very high96.4Very high28 Ų2850 Ų5012%0.12221%0.211CC..Hα-helixtrans-60.2-44.3174.2179.8178.2-174.967.20111.2E53 Y209 M242 F243 R249 E250 L252E53-K246 WeakPolarHBondContact OE1-CD 3.46Å; Y209-K246 HydrophobicContact CD2-CD 3.79Å; Y209-K246 HydrophobicContact CE2-CD 3.56Å; M242-K246 PolarHBondContact O-N 3.21Å; M242-K246 VanDerWaalsContact O-N 3.08Å; F243-K246 HydrophobicContact CD2-CD 4.46Å; F243-K246 CarbonylContact O-C 3.59Å; F243-K246 WeakPolarHBondContact O-CB 3.08Å; F243-K246 PolarHBondContact O-N 3.19Å; K246-R249 PolarHBondContact O-N 3.03Å; K246-E250 VanDerWaalsContact CE-OE2 3.26Å; K246-E250 WeakPolarHBondContact CE-OE2 3.5Å; K246-E250 WeakPolarHBondContact CG-OE1 3.14Å; K246-E250 IonicContact NZ-OE1 2.81Å; K246-E250 PolarHBondContact NZ-OE1 3.09Å; K246-E250 IonicContact NZ-OE2 2.73Å; K246-E250 PolarHBondContact NZ-OE2 3.45Å; K246-E250 WeakPolarHBondContact O-CB 3.33Å; K246-E250 PolarHBondContact O-N 3.37Å; K246-L252 HydrophobicContact CG-CD1 4.3Å
247A95.1Very high96.4Very high1 Ų150.1 Ų50.11%0.00821%0.212CC..Hα-helixtrans-66.5-40.6-17700000112F243 L244 R245 R251 L252 V332F243-A247 HydrophobicContact CE1-CB 4.25Å; F243-A247 HydrophobicContact CZ-CB 4.48Å; F243-A247 WeakPolarHBondContact O-CB 3.49Å; F243-A247 PolarHBondContact O-N 3.26Å; L244-A247 PolarHBondContact O-N 3.46Å; R245-A247 VanDerWaalsContact C-N 3.33Å; A247-R251 CarbonylContact O-C 3.46Å; A247-R251 VanDerWaalsContact O-CA 3.25Å; A247-R251 WeakPolarHBondContact O-CA 3.47Å; A247-R251 PolarHBondContact O-N 3.22Å; A247-L252 HydrophobicContact CB-CB 3.95Å; A247-L252 PolarHBondContact O-N 3.08Å; A247-V332 HydrophobicContact CB-CG2 3.68Å
248K92.9Very high96.4Very high137 Ų13745.6 Ų45.660%0.59620%0.195SC*.Hα-helixtrans-59.6-52171.5-173.1178178.4-176.90110.7L244 E250 R251L244-K248 PolarHBondContact O-N 2.89Å; K248-E250 PolarHBondContact O-N 3.28Å; K248-R251 PolarHBondContact O-N 2.68Å
249R90.6Very high96.4Very high66 Ų6641.9 Ų41.925%0.24918%0.181CC..Hα-helixtrans-60.4-43-179.2-178.4-177.162.5-122.84113.2E53 R245 K246E53-R249 IonicContact OE2-NH2 2.78Å; R245-R249 WeakPolarHBondContact O-CB 3.4Å; R245-R249 PolarHBondContact O-N 3.32Å; R245-R249 VanDerWaalsContact O-N 3.15Å; K246-R249 PolarHBondContact O-N 3.03Å
250E91.6Very high96.4Very high75 Ų7541.9 Ų41.935%0.3518%0.181SC..Hα-helixtrans-100.910.2-173.2-67171.1-144.300112.9K246 K248 L252K246-E250 VanDerWaalsContact CE-OE2 3.26Å; K246-E250 WeakPolarHBondContact CE-OE2 3.5Å; K246-E250 WeakPolarHBondContact CG-OE1 3.14Å; K246-E250 IonicContact NZ-OE1 2.81Å; K246-E250 PolarHBondContact NZ-OE1 3.09Å; K246-E250 IonicContact NZ-OE2 2.73Å; K246-E250 PolarHBondContact NZ-OE2 3.45Å; K246-E250 WeakPolarHBondContact O-CB 3.33Å; K246-E250 PolarHBondContact O-N 3.37Å; K248-E250 PolarHBondContact O-N 3.28Å; E250-L252 HydrophobicContact CB-CD1 4.13Å; E250-L252 HydrophobicContact CB-CD2 4.31Å; E250-L252 HydrophobicContact CB-CG 3.86Å; E250-L252 PolarHBondContact O-N 3.39Å
251R93.9Very high96.4Very high190 Ų19041.4 Ų41.472%0.71718%0.178SC*.THydrogen-bonded Turntrans51.440.1-178.7-57-179.4-179.6-166.9-4.2112.9E106 A247 K248E106-R251 IonicContact OE2-CZ 3.7Å; E106-R251 IonicContact OE2-NH1 2.77Å; E106-R251 IonicContact OE2-NH2 2.73Å; E106-R251 PolarHBondContact OE2-NH2 3.21Å; A247-R251 CarbonylContact O-C 3.46Å; A247-R251 VanDerWaalsContact O-CA 3.25Å; A247-R251 WeakPolarHBondContact O-CA 3.47Å; A247-R251 PolarHBondContact O-N 3.22Å; K248-R251 PolarHBondContact O-N 2.68Å
252L95.1Very high96.5Very high30 Ų3038.3 Ų38.316%0.15716%0.164CC..  trans-85.9145.2178.6-50.8173.9000110.6D205 F243 K246 A247 E250D205-L252 HydrophobicContact CB-CD1 4.04Å; F243-L252 HydrophobicContact CE2-CD1 4.13Å; F243-L252 HydrophobicContact CZ-CD1 4.3Å; K246-L252 HydrophobicContact CG-CD1 4.3Å; A247-L252 HydrophobicContact CB-CB 3.95Å; A247-L252 PolarHBondContact O-N 3.08Å; E250-L252 HydrophobicContact CB-CD1 4.13Å; E250-L252 HydrophobicContact CB-CD2 4.31Å; E250-L252 HydrophobicContact CB-CG 3.86Å; E250-L252 PolarHBondContact O-N 3.39Å
253Q95.8Very high96.5Very high126 Ų12638.2 Ų38.259%0.58916%0.163SC*.  trans-127.10.7-177.1-54.5-171-15.700113.3F333Q253-F333 HydrophobicContact CG-CE2 3.9Å
254S98.1Very high96.5Very high2 Ų238.6 Ų38.61%0.01417%0.167CC..  trans-69154.7-179.251.70000111.5H201 G203 D205 A206 D331H201-S254 VanDerWaalsContact O-CA 3.3Å; H201-S254 WeakPolarHBondContact O-CA 3.28Å; H201-S254 WeakPolarHBondContact O-CB 3.47Å; G203-S254 WeakPolarHBondContact O-CB 3.43Å; D205-S254 WeakPolarHBondContact CB-OG 3.29Å; D205-S254 PolarHBondContact N-OG 2.9Å; A206-S254 PolarHBondContact N-OG 3.36Å; S254-D331 PolarHBondContact O-N 3.17Å
255G98.7Very high96.4Very high0 Ų038.2 Ų38.20%017%0.173CC..EExtended strand (participates in β ladder)trans-128.6169.5168.100000110.3H201 A206 I329 D331H201-G255 VanDerWaalsContact CE1-C 3.49Å; H201-G255 PolarHBondContact N-O 3.37Å; H201-G255 WeakPolarHBondContact NE2-CA 3.48Å; H201-G255 PolarHBondContact O-N 3.4Å; A206-G255 VanDerWaalsContact CB-C 3.43Å; G255-I329 CarbonylContact C-O 3.59Å; G255-I329 WeakPolarHBondContact CA-O 3.22Å; G255-D331 WeakPolarHBondContact CA-OD1 3.48Å
256T98.9Very high96.4Very high0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-150.2142.8174.5-166.80000111.8D199 A206 A207 A210 A328 I329D199-T256 VanDerWaalsContact C-OG1 3.24Å; D199-T256 CarbonylContact O-C 3.57Å; D199-T256 WeakPolarHBondContact O-CA 3.24Å; D199-T256 WeakPolarHBondContact O-CB 3.31Å; D199-T256 PolarHBondContact O-OG1 2.99Å; A206-T256 HydrophobicContact CB-CG2 3.86Å; A207-T256 WeakPolarHBondContact CA-OG1 3.47Å; A207-T256 WeakPolarHBondContact CB-OG1 3.28Å; A210-T256 HydrophobicContact CB-CG2 3.87Å; T256-A328 WeakPolarHBondContact O-CA 3.43Å; T256-I329 HydrophobicContact CG2-CB 3.82Å; T256-I329 HydrophobicContact CG2-CG2 4.2Å; T256-I329 PolarHBondContact N-O 3.39Å; T256-I329 PolarHBondContact O-N 3Å
257T98.8Very high96.6Very high3 Ų339.2 Ų39.22%0.01819%0.192CC..  trans-75169.6160.679.10000109.5F198 D199 L273 D275 S276 V325F198-T257 WeakPolarHBondContact CA-O 3.08Å; F198-T257 WeakPolarHBondContact CD1-O 3.45Å; D199-T257 HydrophobicContact CB-CG2 4.37Å; D199-T257 WeakPolarHBondContact CB-OG1 3.35Å; D199-T257 PolarHBondContact N-OG1 3.13Å; D199-T257 PolarHBondContact O-N 3.29Å; T257-L273 CarbonylContact C-O 3.48Å; T257-L273 WeakPolarHBondContact CA-O 3.4Å; T257-L273 WeakPolarHBondContact CB-O 3.12Å; T257-D275 WeakPolarHBondContact CG2-OD1 3.42Å; T257-S276 WeakPolarHBondContact OG1-CB 3.29Å; T257-S276 PolarHBondContact OG1-OG 2.97Å; T257-V325 HydrophobicContact CG2-CG1 4.02Å
258G98.5Very high96.8Very high0 Ų039.3 Ų39.30%019%0.192CC..EExtended strand (participates in β ladder)trans-161.8136.6171.700000111.3V197 W272 L273V197-G258 WeakPolarHBondContact O-CA 3.48Å; G258-W272 CarbonylContact O-C 3.57Å; G258-W272 WeakPolarHBondContact O-CA 3.47Å; G258-L273 PolarHBondContact N-O 3.05Å; G258-L273 PolarHBondContact O-N 3.36Å; G258-L273 VanDerWaalsContact O-O 3.12Å
259V98.9Very high97Very high0 Ų033.4 Ų33.40%017%0.167CC..EExtended strand (participates in β ladder)trans-130.1132.5168.261.40000108.4A196 V197 W272 V278 M290 L358A196-V259 CarbonylContact C-O 3.55Å; A196-V259 WeakPolarHBondContact CA-O 3.36Å; A196-V259 WeakPolarHBondContact CB-O 3.47Å; V197-V259 HydrophobicContact CB-CG1 4.18Å; V197-V259 PolarHBondContact N-O 2.81Å; V197-V259 PolarHBondContact O-N 3.17Å; V259-W272 HydrophobicContact CB-CB 4.08Å; V259-W272 HydrophobicContact CG2-CB 3.98Å; V259-V278 HydrophobicContact CG2-CB 3.66Å; V259-V278 HydrophobicContact CG2-CG1 3.58Å; V259-M290 HydrophobicContact CG2-SD 4.09Å; V259-L358 HydrophobicContact CG1-CB 4.46Å; V259-L358 HydrophobicContact CG1-CD2 4.37Å
260C98.8Very high97.4Very high0 Ų030.4 Ų30.40%016%0.156CC..EExtended strand (participates in β ladder)trans-131.9155.4175.8750000112.6Y194 F195 A196 V270 A271Y194-C260 HydrophobicContact CE1-CB 4.43Å; Y194-C260 HydrophobicContact CE2-CB 3.56Å; Y194-C260 VanDerWaalsContact CZ-CB 3.49Å; Y194-C260 WeakPolarHBondContact OH-CB 3.39Å; F195-C260 CarbonylContact O-C 3.44Å; F195-C260 WeakPolarHBondContact O-CA 3.41Å; F195-C260 WeakPolarHBondContact O-CB 3.47Å; A196-C260 HydrophobicContact CB-CB 3.71Å; C260-V270 VanDerWaalsContact O-CA 3.23Å; C260-V270 WeakPolarHBondContact O-CA 3.27Å; C260-A271 PolarHBondContact N-O 2.86Å; C260-A271 PolarHBondContact O-N 3.39Å; C260-A271 VanDerWaalsContact O-N 3.13Å
261A98.8Very high97.8Very high0 Ų026.9 Ų26.90%014%0.139CC..EExtended strand (participates in β ladder)trans-129119.4174.300000108.8Y194 F195 L268 H269 V270 L356 L358Y194-A261 CarbonylContact C-O 3.56Å; Y194-A261 WeakPolarHBondContact CA-O 3.13Å; F195-A261 PolarHBondContact N-O 3.36Å; F195-A261 PolarHBondContact O-N 2.9Å; A261-L268 HydrophobicContact CB-CD1 3.96Å; A261-H269 CarbonylContact C-O 3.32Å; A261-H269 WeakPolarHBondContact CA-O 3.23Å; A261-V270 HydrophobicContact CB-CG1 4.22Å; A261-L356 HydrophobicContact CB-CD1 4.27Å; A261-L358 HydrophobicContact CB-CD1 4.43Å; A261-L358 HydrophobicContact CB-CD2 4.33Å
262L98.8Very high98Very high1 Ų118.5 Ų18.51%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-106.8115.9169-178.875000108.1F180 R192 A193 Y194 L224 P228 L232 H269F180-L262 HydrophobicContact CD1-CD1 4.43Å; F180-L262 HydrophobicContact CE1-CD1 4.42Å; R192-L262 HydrophobicContact CB-CD1 4.05Å; A193-L262 CarbonylContact O-C 3.53Å; A193-L262 WeakPolarHBondContact O-CA 3.47Å; Y194-L262 HydrophobicContact CD2-CB 4.49Å; Y194-L262 HydrophobicContact CD2-CD1 4.33Å; L224-L262 HydrophobicContact CD1-CD2 3.78Å; P228-L262 HydrophobicContact CB-CD2 4.03Å; L232-L262 HydrophobicContact CD1-CB 3.96Å; L232-L262 HydrophobicContact CD2-CB 4.44Å; L262-H269 HydrophobicContact CB-CB 4.39Å; L262-H269 PolarHBondContact N-O 3.46Å; L262-H269 PolarHBondContact O-N 3.2Å
263I98.5Very high98.1Very high3 Ų317.1 Ų17.12%0.01510%0.1CC..EExtended strand (participates in β ladder)trans-93.4115.7170-56.3169.9000106.9W156 R192 A193 F195 T267 L268 L349 L356 L414W156-I263 HydrophobicContact CE3-CD1 4.23Å; W156-I263 HydrophobicContact CH2-CB 4.05Å; W156-I263 HydrophobicContact CH2-CD1 3.3Å; W156-I263 HydrophobicContact CH2-CG1 4.26Å; W156-I263 HydrophobicContact CH2-CG2 3.76Å; W156-I263 HydrophobicContact CZ2-CB 4.25Å; W156-I263 HydrophobicContact CZ2-CD1 4.07Å; W156-I263 HydrophobicContact CZ2-CG2 4.16Å; W156-I263 HydrophobicContact CZ3-CD1 3.42Å; W156-I263 VanDerWaalsContact CZ3-CD1 3.42Å; R192-I263 CarbonylContact C-O 3.51Å; R192-I263 WeakPolarHBondContact CA-O 2.78Å; A193-I263 PolarHBondContact N-O 3.49Å; A193-I263 PolarHBondContact O-N 2.91Å; F195-I263 HydrophobicContact CE2-CD1 4.18Å; I263-T267 WeakPolarHBondContact CA-O 3.34Å; I263-L268 HydrophobicContact CG1-CD1 4.04Å; I263-L349 HydrophobicContact CG2-CD1 3.8Å; I263-L356 HydrophobicContact CD1-CD1 4.07Å; I263-L356 HydrophobicContact CG1-CD1 4.45Å; I263-L414 HydrophobicContact CD1-CD2 3.63Å
264A97.4Very high98.2Very high8 Ų811.1 Ų11.17%0.0667%0.072CC..EExtended strand (participates in β ladder)trans-118.5105.5179.900000109.6V190 R192 V266 T267V190-A264 HydrophobicContact CG1-CB 3.97Å; R192-A264 HydrophobicContact CG-CB 4.03Å; A264-V266 PolarHBondContact O-N 2.89Å; A264-T267 PolarHBondContact N-O 3.4Å; A264-T267 PolarHBondContact O-N 3.48Å
265G95.1Very high98.2Very high34 Ų3411.5 Ų11.535%0.3518%0.075SC..THydrogen-bonded Turntrans58.4-107.8-171.800000111.6D191D191-G265 PolarHBondContact O-N 3.18Å
266V95.8Very high98.2Very high107 Ų10711.5 Ų11.565%0.6488%0.075SC*.THydrogen-bonded Turntrans-109.717.5179.5-59.90000112.9A264 L349A264-V266 PolarHBondContact O-N 2.89Å; V266-L349 WeakPolarHBondContact O-CB 3.15Å; V266-L349 PolarHBondContact O-N 2.88Å
267T98.4Very high98.2Very high41 Ų4112.2 Ų12.225%0.2528%0.078SC..EExtended strand (participates in β ladder)trans-122.6133.4179.3-490000110.2I263 A264 H269 R347I263-T267 WeakPolarHBondContact CA-O 3.34Å; A264-T267 PolarHBondContact N-O 3.4Å; A264-T267 PolarHBondContact O-N 3.48Å; T267-H269 WeakPolarHBondContact CB-NE2 3.41Å; T267-H269 WeakPolarHBondContact CG2-CE1 3.49Å; T267-H269 WeakPolarHBondContact CG2-NE2 3.26Å; T267-R347 WeakPolarHBondContact CG2-O 3.42Å
268L98.8Very high98.2Very high2 Ų212.2 Ų12.21%0.018%0.078CC..EExtended strand (participates in β ladder)trans-91.9126.9168.9170.463.8000109A261 I263 V270 L289 S346 R347 L349 L356A261-L268 HydrophobicContact CB-CD1 3.96Å; I263-L268 HydrophobicContact CG1-CD1 4.04Å; L268-V270 HydrophobicContact CD1-CG1 3.98Å; L268-V270 HydrophobicContact CD2-CG1 4.36Å; L268-V270 HydrophobicContact CG-CG1 4.08Å; L268-L289 HydrophobicContact CD2-CD1 3.82Å; L268-S346 CarbonylContact O-C 3.57Å; L268-S346 VanDerWaalsContact O-CA 3.3Å; L268-S346 WeakPolarHBondContact O-CA 3.4Å; L268-R347 PolarHBondContact N-O 3.37Å; L268-R347 PolarHBondContact O-N 2.85Å; L268-L349 HydrophobicContact CB-CD1 4.34Å; L268-L349 HydrophobicContact CB-CD2 3.91Å; L268-L349 HydrophobicContact CB-CG 4.1Å; L268-L356 HydrophobicContact CD1-CD1 3.75Å; L268-L356 HydrophobicContact CD2-CD1 4.25Å; L268-L356 HydrophobicContact CD2-CD2 3.59Å
269H98.8Very high98.2Very high14 Ų1412.3 Ų12.37%0.0658%0.078CC..EExtended strand (participates in β ladder)trans-116.1128.3170.8-53.4-84.6000108.3P228 L232 A261 L262 T267 A345 S346P228-H269 HydrophobicContact CB-CB 4.43Å; L232-H269 HydrophobicContact CD1-CB 3.99Å; A261-H269 CarbonylContact C-O 3.32Å; A261-H269 WeakPolarHBondContact CA-O 3.23Å; L262-H269 HydrophobicContact CB-CB 4.39Å; L262-H269 PolarHBondContact N-O 3.46Å; L262-H269 PolarHBondContact O-N 3.2Å; T267-H269 WeakPolarHBondContact CB-NE2 3.41Å; T267-H269 WeakPolarHBondContact CG2-CE1 3.49Å; T267-H269 WeakPolarHBondContact CG2-NE2 3.26Å; H269-A345 WeakPolarHBondContact CA-O 3.49Å; H269-S346 PolarHBondContact ND1-OG 2.84Å
270V98.8Very high98.2Very high3 Ų312.3 Ų12.32%0.0188%0.078CC..EExtended strand (participates in β ladder)trans-119144174.7-630000109.5C260 A261 L268 W272 V278 L289 A344 A345C260-V270 VanDerWaalsContact O-CA 3.23Å; C260-V270 WeakPolarHBondContact O-CA 3.27Å; A261-V270 HydrophobicContact CB-CG1 4.22Å; L268-V270 HydrophobicContact CD1-CG1 3.98Å; L268-V270 HydrophobicContact CD2-CG1 4.36Å; L268-V270 HydrophobicContact CG-CG1 4.08Å; V270-W272 HydrophobicContact CG2-CE3 4.36Å; V270-W272 HydrophobicContact CG2-CZ3 4.16Å; V270-V278 HydrophobicContact CB-CG1 4.13Å; V270-V278 HydrophobicContact CG1-CG1 3.92Å; V270-V278 HydrophobicContact CG1-CG2 4.5Å; V270-L289 HydrophobicContact CG1-CD1 4.14Å; V270-L289 HydrophobicContact CG2-CB 4.38Å; V270-A344 CarbonylContact O-C 3.52Å; V270-A344 WeakPolarHBondContact O-CA 3.33Å; V270-A344 VanDerWaalsContact O-CB 3.28Å; V270-A344 WeakPolarHBondContact O-CB 3.18Å; V270-A345 HydrophobicContact CG2-CB 3.94Å; V270-A345 PolarHBondContact N-O 3.23Å; V270-A345 PolarHBondContact O-N 2.88Å
271A98.8Very high98.2Very high0 Ų012.3 Ų12.30%08%0.078CC..EExtended strand (participates in β ladder)trans-137.7142.8169.400000109.3L232 F236 C260 D343 A344L232-A271 HydrophobicContact CB-CB 3.57Å; L232-A271 HydrophobicContact CD1-CB 4.14Å; L232-A271 HydrophobicContact CG-CB 4.47Å; F236-A271 HydrophobicContact CD2-CB 4.07Å; F236-A271 HydrophobicContact CE2-CB 3.8Å; C260-A271 PolarHBondContact N-O 2.86Å; C260-A271 PolarHBondContact O-N 3.39Å; C260-A271 VanDerWaalsContact O-N 3.13Å; A271-D343 CarbonylContact C-O 3.51Å; A271-D343 WeakPolarHBondContact CA-O 3.1Å; A271-A344 HydrophobicContact CB-CB 3.94Å
272W98.8Very high98.1Very high15 Ų1513.9 Ų13.96%0.0579%0.086CC..EExtended strand (participates in β ladder)trans-150.5156.9-176.273.1100.3000113G258 V259 V270 M290 E291 H293 A342 D343 A345G258-W272 CarbonylContact O-C 3.57Å; G258-W272 WeakPolarHBondContact O-CA 3.47Å; V259-W272 HydrophobicContact CB-CB 4.08Å; V259-W272 HydrophobicContact CG2-CB 3.98Å; V270-W272 HydrophobicContact CG2-CE3 4.36Å; V270-W272 HydrophobicContact CG2-CZ3 4.16Å; W272-M290 HydrophobicContact CB-CE 4.34Å; W272-M290 HydrophobicContact CB-SD 4.04Å; W272-M290 HydrophobicContact CD2-CB 3.61Å; W272-M290 HydrophobicContact CD2-CE 4.19Å; W272-M290 HydrophobicContact CD2-CG 4.44Å; W272-M290 HydrophobicContact CD2-SD 3.99Å; W272-M290 HydrophobicContact CE3-CB 3.7Å; W272-M290 HydrophobicContact CG-CB 4.33Å; W272-M290 HydrophobicContact CG-CE 3.7Å; W272-M290 HydrophobicContact CG-SD 3.72Å; W272-M290 HydrophobicContact CH2-CB 3.68Å; W272-M290 HydrophobicContact CZ2-CB 3.58Å; W272-M290 HydrophobicContact CZ3-CB 3.73Å; W272-E291 PolarHBondContact NE1-O 2.9Å; W272-H293 AromaticContact CD1-CE1 3.35Å; W272-H293 AromaticContact CD1-ND1 3.38Å; W272-H293 AromaticContact CE2-CE1 3.94Å; W272-H293 AromaticContact NE1-CE1 3.15Å; W272-H293 PolarHBondContact NE1-CE1 3.41Å; W272-H293 AromaticContact NE1-ND1 3.51Å; W272-H293 AromaticContact NE1-NE2 3.83Å; W272-H293 PolarHBondContact O-CE1 3.45Å; W272-A342 VanDerWaalsContact O-CA 3.3Å; W272-A342 WeakPolarHBondContact O-CA 3.34Å; W272-A342 WeakPolarHBondContact O-CB 3.16Å; W272-D343 HydrophobicContact CD2-CB 4.14Å; W272-D343 HydrophobicContact CE3-CB 4.37Å; W272-D343 HydrophobicContact CH2-CB 3.69Å; W272-D343 HydrophobicContact CZ2-CB 3.4Å; W272-D343 VanDerWaalsContact CZ2-CB 3.4Å; W272-D343 HydrophobicContact CZ3-CB 4.17Å; W272-D343 PolarHBondContact N-O 2.8Å; W272-D343 PolarHBondContact O-N 2.72Å; W272-A345 HydrophobicContact CZ3-CB 4.22Å
273L96.8Very high97.9Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-150.6134.4176.7157.3161.4000107.2F236 T257 G258 R327 A342F236-L273 HydrophobicContact CD1-CB 4.44Å; T257-L273 CarbonylContact C-O 3.48Å; T257-L273 WeakPolarHBondContact CA-O 3.4Å; T257-L273 WeakPolarHBondContact CB-O 3.12Å; G258-L273 PolarHBondContact N-O 3.05Å; G258-L273 PolarHBondContact O-N 3.36Å; G258-L273 VanDerWaalsContact O-O 3.12Å; L273-R327 HydrophobicContact CB-CB 4.46Å; L273-R327 HydrophobicContact CD1-CB 4.23Å; L273-R327 HydrophobicContact CG-CB 3.73Å; L273-A342 HydrophobicContact CB-CB 4.17Å
274G98.4Very high97.7Very high0 Ų021.4 Ų21.40%013%0.126CC..SBendtrans81.1-154.9-169.500000113.2H293 R327G274-H293 PolarHBondContact N-ND1 2.9Å; G274-H293 WeakPolarHBondContact O-CB 3.2Å; G274-H293 PolarHBondContact O-N 3.07Å; G274-R327 VanDerWaalsContact CA-O 3.23Å; G274-R327 WeakPolarHBondContact CA-O 2.91Å; G274-R327 PolarHBondContact N-O 2.61Å; G274-R327 VanDerWaalsContact N-O 3.14Å
275D98Very high97.6Very high11 Ų1127 Ų276%0.05915%0.151CC..SBendtrans-118.84.6-16859.8-5.6000115.5T257 Q277 P292 R294 V325T257-D275 WeakPolarHBondContact CG2-OD1 3.42Å; D275-Q277 WeakPolarHBondContact O-CG 3.45Å; D275-P292 HydrophobicContact CB-CB 3.95Å; D275-R294 HydrophobicContact CB-CG 4.44Å; D275-V325 HydrophobicContact CB-CG1 4.41Å; D275-V325 WeakPolarHBondContact OD1-CG1 3.25Å; D275-V325 WeakPolarHBondContact OD2-CG1 3.49Å
276S98.6Very high97.7Very high0 Ų026.5 Ų26.50%014%0.142CC..  trans-57.2141.1154.7-71.40000109.6T257 M290T257-S276 WeakPolarHBondContact OG1-CB 3.29Å; T257-S276 PolarHBondContact OG1-OG 2.97Å; S276-M290 WeakPolarHBondContact O-CE 3.2Å
277Q98.7Very high97.8Very high15 Ų1522.8 Ų22.87%0.0712%0.119CC..EExtended strand (participates in β ladder)trans-126.6156.8-170.6-40.4-176.342.800113.1D275 M290 P292 L358 A359 F364 H369D275-Q277 WeakPolarHBondContact O-CG 3.45Å; Q277-M290 HydrophobicContact CB-CE 4.23Å; Q277-M290 HydrophobicContact CB-SD 4.2Å; Q277-M290 HydrophobicContact CG-CE 4.27Å; Q277-P292 HydrophobicContact CG-CB 4.46Å; Q277-L358 WeakPolarHBondContact O-CA 3.44Å; Q277-A359 PolarHBondContact N-O 2.9Å; Q277-A359 PolarHBondContact O-N 3.43Å; Q277-F364 HydrophobicContact CB-CD2 3.67Å; Q277-F364 HydrophobicContact CB-CE2 3.53Å; Q277-F364 HydrophobicContact CB-CG 4.42Å; Q277-F364 HydrophobicContact CB-CZ 4.19Å; Q277-F364 HydrophobicContact CG-CD2 3.89Å; Q277-F364 HydrophobicContact CG-CE2 4.29Å; Q277-F364 HydrophobicContact CG-CG 4.4Å; Q277-F364 WeakPolarHBondContact O-CE2 3.22Å; Q277-H369 PolarHBondContact OE1-CE1 2.96Å; Q277-H369 VanDerWaalsContact OE1-CE1 3.23Å; Q277-H369 PolarHBondContact OE1-NE2 2.93Å; Q277-H369 VanDerWaalsContact OE1-NE2 3.15Å
278V98.6Very high97.6Very high2 Ų227 Ų271%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-125.7132.6167.861.60000110.1V259 V270 L289 M290 L357 L358V259-V278 HydrophobicContact CG2-CB 3.66Å; V259-V278 HydrophobicContact CG2-CG1 3.58Å; V270-V278 HydrophobicContact CB-CG1 4.13Å; V270-V278 HydrophobicContact CG1-CG1 3.92Å; V270-V278 HydrophobicContact CG1-CG2 4.5Å; V278-L289 HydrophobicContact CG1-CB 4.45Å; V278-L289 HydrophobicContact CG1-CD1 4.33Å; V278-L289 HydrophobicContact CG2-CD1 4.2Å; V278-M290 HydrophobicContact CG1-CG 4.01Å; V278-M290 HydrophobicContact CG1-SD 3.89Å; V278-M290 PolarHBondContact N-SD 2.88Å; V278-M290 VanDerWaalsContact N-SD 3.44Å; V278-L357 CarbonylContact C-O 3.15Å; V278-L357 VanDerWaalsContact CA-O 3.3Å; V278-L357 WeakPolarHBondContact CA-O 3.29Å; V278-L358 HydrophobicContact CB-CG 4.08Å; V278-L358 HydrophobicContact CG2-CD1 3.99Å; V278-L358 HydrophobicContact CG2-CG 3.81Å
279I98.4Very high97.5Very high3 Ų328.1 Ų28.12%0.01514%0.139CC..EExtended strand (participates in β ladder)trans-120.9148.7170.465.1171.3000110.3V286 L356 L357 F364 H369 V372I279-V286 HydrophobicContact CB-CG1 4.32Å; I279-V286 HydrophobicContact CD1-CG1 4.44Å; I279-V286 HydrophobicContact CG2-CG1 4.45Å; I279-L356 WeakPolarHBondContact O-CA 3.31Å; I279-L357 HydrophobicContact CD1-CB 4.42Å; I279-L357 HydrophobicContact CG1-CB 3.87Å; I279-L357 PolarHBondContact N-O 3.3Å; I279-L357 PolarHBondContact O-N 3.28Å; I279-F364 HydrophobicContact CD1-CE1 4.37Å; I279-F364 HydrophobicContact CG1-CZ 4.43Å; I279-F364 HydrophobicContact CG2-CE1 4.43Å; I279-F364 HydrophobicContact CG2-CZ 4.35Å; I279-H369 HydrophobicContact CD1-CB 4.38Å; I279-V372 HydrophobicContact CD1-CB 4.24Å; I279-V372 HydrophobicContact CD1-CG1 4.22Å; I279-V372 HydrophobicContact CD1-CG2 4.08Å
280L98.6Very high97.5Very high0 Ų028 Ų280%014%0.139CC..EExtended strand (participates in β ladder)trans-105.4133168.3166.665000108.5V287 L289 E353 L356 L414L280-V287 HydrophobicContact CB-CB 4.22Å; L280-V287 HydrophobicContact CD2-CB 4.29Å; L280-V287 HydrophobicContact CG-CB 4.27Å; L280-V287 PolarHBondContact N-O 3.23Å; L280-V287 PolarHBondContact O-N 3.14Å; L280-L289 HydrophobicContact CB-CD1 3.79Å; L280-L289 HydrophobicContact CB-CD2 4.13Å; L280-L289 HydrophobicContact CB-CG 3.99Å; L280-L289 HydrophobicContact CD2-CD2 4.38Å; L280-E353 HydrophobicContact CD1-CB 3.77Å; L280-E353 HydrophobicContact CD1-CG 3.84Å; L280-E353 HydrophobicContact CD2-CG 3.93Å; L280-E353 HydrophobicContact CG-CG 4.42Å; L280-L356 HydrophobicContact CB-CD2 3.85Å; L280-L356 HydrophobicContact CD1-CD2 3.68Å; L280-L356 HydrophobicContact CG-CD2 4.34Å; L280-L414 HydrophobicContact CD1-CD1 3.9Å
281V98.4Very high97.4Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-104126.8166.7-179.70000108.4Q285 D354 Y355 V373V281-Q285 WeakPolarHBondContact CA-O 3.46Å; V281-D354 HydrophobicContact CG1-CB 4.38Å; V281-D354 PolarHBondContact O-N 2.9Å; V281-Y355 HydrophobicContact CB-CD1 4.37Å; V281-Y355 HydrophobicContact CB-CD2 4.08Å; V281-Y355 HydrophobicContact CB-CE1 3.99Å; V281-Y355 HydrophobicContact CB-CE2 3.68Å; V281-Y355 HydrophobicContact CB-CG 4.41Å; V281-Y355 HydrophobicContact CG1-CE1 3.99Å; V281-Y355 HydrophobicContact CG1-CE2 4.39Å; V281-Y355 HydrophobicContact CG2-CD2 4.08Å; V281-Y355 HydrophobicContact CG2-CE1 4.43Å; V281-Y355 HydrophobicContact CG2-CE2 3.36Å; V281-Y355 PolarHBondContact N-O 3.5Å; V281-Y355 PolarHBondContact O-N 3.03Å; V281-V373 HydrophobicContact CG1-CG2 4.06Å; V281-V373 HydrophobicContact CG2-CG2 4.13Å
282Q96.9Very high97.3Very high33 Ų3332.6 Ų32.615%0.15416%0.161CC..EExtended strand (participates in β ladder)trans-131.8118.5-179.6-178.5177-16.300108.3G284 Q285 V287 S352 E353Q282-G284 PolarHBondContact O-N 3.38Å; Q282-Q285 PolarHBondContact N-O 2.97Å; Q282-Q285 PolarHBondContact O-N 3.45Å; Q282-V287 HydrophobicContact CB-CG2 3.93Å; Q282-S352 WeakPolarHBondContact CG-O 3.42Å; Q282-S352 PolarHBondContact NE2-OG 3.08Å; Q282-E353 HydrophobicContact CG-CG 4.36Å
283Q94.9Very high97.3Very high139 Ų13931.9 Ų31.965%0.6516%0.159SC*.THydrogen-bonded Turntrans51.844.5-178.5-57.7178.3-37.400112.6Q285 S352 D354Q283-Q285 PolarHBondContact O-N 2.97Å; Q283-S352 PolarHBondContact N-O 2.73Å; Q283-D354 WeakPolarHBondContact CA-OD2 3.35Å; Q283-D354 PolarHBondContact N-OD2 3.17Å
284G94.4Very high97.4Very high22 Ų2235.4 Ų35.423%0.22717%0.172CC..THydrogen-bonded Turntrans69.413-17900000115Q282 D354 V373Q282-G284 PolarHBondContact O-N 3.38Å; G284-D354 PolarHBondContact N-OD2 3.2Å; G284-V373 WeakPolarHBondContact O-CG1 3.38Å
285Q96.3Very high97.3Very high125 Ų12535.4 Ų35.458%0.58417%0.172SC*.EExtended strand (participates in β ladder)trans-116.7138.6176.2-63.3-61-58.400111V281 Q282 Q283V281-Q285 WeakPolarHBondContact CA-O 3.46Å; Q282-Q285 PolarHBondContact N-O 2.97Å; Q282-Q285 PolarHBondContact O-N 3.45Å; Q283-Q285 PolarHBondContact O-N 2.97Å
286V97.5Very high97.3Very high25 Ų2538.4 Ų38.415%0.15219%0.186CC..EExtended strand (participates in β ladder)trans-74.2128.9175179.80000109.7I279 H369 V373I279-V286 HydrophobicContact CB-CG1 4.32Å; I279-V286 HydrophobicContact CD1-CG1 4.44Å; I279-V286 HydrophobicContact CG2-CG1 4.45Å; V286-H369 HydrophobicContact CG1-CB 3.92Å; V286-H369 HydrophobicContact CG2-CB 4.35Å; V286-H369 VanDerWaalsContact CG2-O 3.29Å; V286-H369 WeakPolarHBondContact CG2-O 3.35Å; V286-V373 HydrophobicContact CG2-CG2 3.85Å
287V97Very high97.2Very high28 Ų2840.3 Ų40.317%0.1719%0.193CC..EExtended strand (participates in β ladder)trans-111.9117.8173.7-1750000109.1L280 Q282 L289L280-V287 HydrophobicContact CB-CB 4.22Å; L280-V287 HydrophobicContact CD2-CB 4.29Å; L280-V287 HydrophobicContact CG-CB 4.27Å; L280-V287 PolarHBondContact N-O 3.23Å; L280-V287 PolarHBondContact O-N 3.14Å; Q282-V287 HydrophobicContact CB-CG2 3.93Å; V287-L289 PolarHBondContact O-N 3.43Å
288K94.3Very high97.2Very high131 Ų13146.4 Ų46.457%0.5722%0.221SC*.EExtended strand (participates in β ladder)trans-69.6124.4176.9-174.5174.7-176.9170.60110.1M290 E291K288-M290 WeakPolarHBondContact CE-O 3.43Å; K288-M290 WeakPolarHBondContact CG-O 3.38Å; K288-E291 WeakPolarHBondContact CE-OE2 3.36Å; K288-E291 IonicContact NZ-OE1 3.03Å; K288-E291 IonicContact NZ-OE2 2.92Å; K288-E291 PolarHBondContact NZ-OE2 3.1Å
289L97.3Very high97.2Very high24 Ų2450 Ų5013%0.12624%0.241CC..  trans-106.5-25.8178.1-63.8-178.4000113.4L268 V270 V278 L280 V287 L356L268-L289 HydrophobicContact CD2-CD1 3.82Å; V270-L289 HydrophobicContact CG1-CD1 4.14Å; V270-L289 HydrophobicContact CG2-CB 4.38Å; V278-L289 HydrophobicContact CG1-CB 4.45Å; V278-L289 HydrophobicContact CG1-CD1 4.33Å; V278-L289 HydrophobicContact CG2-CD1 4.2Å; L280-L289 HydrophobicContact CB-CD1 3.79Å; L280-L289 HydrophobicContact CB-CD2 4.13Å; L280-L289 HydrophobicContact CB-CG 3.99Å; L280-L289 HydrophobicContact CD2-CD2 4.38Å; V287-L289 PolarHBondContact O-N 3.43Å; L289-L356 HydrophobicContact CD1-CD2 4.3Å
290M97.1Very high97.2Very high13 Ų1350 Ų506%0.06424%0.241CC..  trans-148170.2-171.460.4159.1-80.900112V259 W272 S276 Q277 V278 K288 P292V259-M290 HydrophobicContact CG2-SD 4.09Å; W272-M290 HydrophobicContact CB-CE 4.34Å; W272-M290 HydrophobicContact CB-SD 4.04Å; W272-M290 HydrophobicContact CD2-CB 3.61Å; W272-M290 HydrophobicContact CD2-CE 4.19Å; W272-M290 HydrophobicContact CD2-CG 4.44Å; W272-M290 HydrophobicContact CD2-SD 3.99Å; W272-M290 HydrophobicContact CE3-CB 3.7Å; W272-M290 HydrophobicContact CG-CB 4.33Å; W272-M290 HydrophobicContact CG-CE 3.7Å; W272-M290 HydrophobicContact CG-SD 3.72Å; W272-M290 HydrophobicContact CH2-CB 3.68Å; W272-M290 HydrophobicContact CZ2-CB 3.58Å; W272-M290 HydrophobicContact CZ3-CB 3.73Å; S276-M290 WeakPolarHBondContact O-CE 3.2Å; Q277-M290 HydrophobicContact CB-CE 4.23Å; Q277-M290 HydrophobicContact CB-SD 4.2Å; Q277-M290 HydrophobicContact CG-CE 4.27Å; V278-M290 HydrophobicContact CG1-CG 4.01Å; V278-M290 HydrophobicContact CG1-SD 3.89Å; V278-M290 PolarHBondContact N-SD 2.88Å; V278-M290 VanDerWaalsContact N-SD 3.44Å; K288-M290 WeakPolarHBondContact CE-O 3.43Å; K288-M290 WeakPolarHBondContact CG-O 3.38Å; M290-P292 HydrophobicContact CE-CB 4.24Å
291E97.3Very high97.2Very high86 Ų8652.8 Ų52.840%0.40225%0.253SS..  trans-125.3124.8167.9-172.876.5-113.600108.7W272 K288 R297W272-E291 PolarHBondContact NE1-O 2.9Å; K288-E291 WeakPolarHBondContact CE-OE2 3.36Å; K288-E291 IonicContact NZ-OE1 3.03Å; K288-E291 IonicContact NZ-OE2 2.92Å; K288-E291 PolarHBondContact NZ-OE2 3.1Å; E291-R297 PolarHBondContact O-NH1 3.49Å
292P97.9Very high97.2Very high12 Ų1255 Ų558%0.07827%0.271CS..  trans-59.9148.8179.225.3-35.3000112.3D275 Q277 M290 R294D275-P292 HydrophobicContact CB-CB 3.95Å; Q277-P292 HydrophobicContact CG-CB 4.46Å; M290-P292 HydrophobicContact CE-CB 4.24Å; P292-R294 HydrophobicContact CB-CG 4.3Å; P292-R294 HydrophobicContact CG-CG 4.45Å; P292-R294 PolarHBondContact O-N 3.13Å; P292-R294 VanDerWaalsContact O-N 3.12Å
293H98.4Very high97.3Very high0 Ų056.1 Ų56.10%027%0.274CS..  trans-86.372.9-179.8-66.4112.8000111.8W272 G274 R297 S326 R327 D343W272-H293 AromaticContact CD1-CE1 3.35Å; W272-H293 AromaticContact CD1-ND1 3.38Å; W272-H293 AromaticContact CE2-CE1 3.94Å; W272-H293 AromaticContact NE1-CE1 3.15Å; W272-H293 PolarHBondContact NE1-CE1 3.41Å; W272-H293 AromaticContact NE1-ND1 3.51Å; W272-H293 AromaticContact NE1-NE2 3.83Å; W272-H293 PolarHBondContact O-CE1 3.45Å; G274-H293 PolarHBondContact N-ND1 2.9Å; G274-H293 WeakPolarHBondContact O-CB 3.2Å; G274-H293 PolarHBondContact O-N 3.07Å; H293-R297 VanDerWaalsContact CD2-CZ 3.48Å; H293-R297 PolarHBondContact CD2-NH1 3.31Å; H293-R297 PolarHBondContact CD2-NH2 2.88Å; H293-R297 VanDerWaalsContact CD2-NH2 3.33Å; H293-S326 WeakPolarHBondContact CB-OG 3.48Å; H293-S326 PolarHBondContact O-N 2.91Å; H293-S326 PolarHBondContact O-OG 2.92Å; H293-R327 HydrophobicContact CB-CB 4.12Å; H293-R327 HydrophobicContact CB-CG 3.96Å; H293-R327 PolarHBondContact CD2-NE 3.19Å; H293-R327 PolarHBondContact NE2-NH1 3.47Å; H293-D343 IonicContact CE1-OD2 2.62Å; H293-D343 VanDerWaalsContact NE2-CG 3.32Å; H293-D343 IonicContact NE2-OD1 3.36Å; H293-D343 IonicContact NE2-OD2 2.8Å; H293-D343 PolarHBondContact NE2-OD2 3.34Å
294R97.4Very high97.4Very high74 Ų7449.5 Ų49.528%0.27924%0.243SC..  trans-90.7144.5177.3-58.3-170.3170.3-165.7-7.7112.1D275 P292 E296 R297 D365D275-R294 HydrophobicContact CB-CG 4.44Å; P292-R294 HydrophobicContact CB-CG 4.3Å; P292-R294 HydrophobicContact CG-CG 4.45Å; P292-R294 PolarHBondContact O-N 3.13Å; P292-R294 VanDerWaalsContact O-N 3.12Å; R294-E296 VanDerWaalsContact CB-OE2 3.3Å; R294-E296 WeakPolarHBondContact CB-OE2 3.46Å; R294-E296 WeakPolarHBondContact CD-OE1 3.47Å; R294-E296 PolarHBondContact O-N 3.01Å; R294-E296 VanDerWaalsContact O-N 3.13Å; R294-R297 VanDerWaalsContact O-CB 3.25Å; R294-R297 WeakPolarHBondContact O-CB 3.45Å; R294-R297 PolarHBondContact O-N 2.88Å; R294-D365 IonicContact CZ-OD1 3.49Å; R294-D365 IonicContact NH2-OD1 3.08Å; R294-D365 PolarHBondContact NH2-OD1 2.71Å
295P97.9Very high97.6Very high0 Ų052.9 Ų52.90%025%0.253CS..THydrogen-bonded Turntrans-56.1-29.1-177.7-27.836.4000114.8R297 K301 V311 W317 V319 A324P295-R297 VanDerWaalsContact C-N 3.32Å; P295-K301 WeakPolarHBondContact O-CB 3.47Å; P295-V311 HydrophobicContact CB-CG1 3.79Å; P295-V311 HydrophobicContact CB-CG2 4.22Å; P295-W317 HydrophobicContact CB-CB 4.19Å; P295-V319 HydrophobicContact CB-CG2 4.03Å; P295-V319 HydrophobicContact CG-CG2 3.8Å; P295-A324 WeakPolarHBondContact CD-O 3.24Å
296E96.6Very high97.7Very high74 Ų7451.2 Ų51.235%0.34626%0.26SS..THydrogen-bonded Turntrans-79-8.5177.769.6-84.5-157.200114.7R294 Q298 W317R294-E296 VanDerWaalsContact CB-OE2 3.3Å; R294-E296 WeakPolarHBondContact CB-OE2 3.46Å; R294-E296 WeakPolarHBondContact CD-OE1 3.47Å; R294-E296 PolarHBondContact O-N 3.01Å; R294-E296 VanDerWaalsContact O-N 3.13Å; E296-Q298 PolarHBondContact O-N 2.98Å; E296-W317 HydrophobicContact CB-CB 4.2Å; E296-W317 HydrophobicContact CB-CD2 3.88Å; E296-W317 HydrophobicContact CB-CG 3.64Å; E296-W317 VanDerWaalsContact CD-CD1 3.41Å; E296-W317 HydrophobicContact CG-CG 4.18Å; E296-W317 VanDerWaalsContact OE2-CB 3.27Å; E296-W317 WeakPolarHBondContact OE2-CB 3.23Å
297R97.8Very high97.8Very high40 Ų4053.8 Ų53.815%0.15127%0.273CS..SBendtrans-62.9128.6174.2-155.2178.577.4178.76.7108.4E291 H293 R294 P295 D299 E300 K301 D343E291-R297 PolarHBondContact O-NH1 3.49Å; H293-R297 VanDerWaalsContact CD2-CZ 3.48Å; H293-R297 PolarHBondContact CD2-NH1 3.31Å; H293-R297 PolarHBondContact CD2-NH2 2.88Å; H293-R297 VanDerWaalsContact CD2-NH2 3.33Å; R294-R297 VanDerWaalsContact O-CB 3.25Å; R294-R297 WeakPolarHBondContact O-CB 3.45Å; R294-R297 PolarHBondContact O-N 2.88Å; P295-R297 VanDerWaalsContact C-N 3.32Å; R297-D299 VanDerWaalsContact C-N 3.3Å; R297-D299 WeakPolarHBondContact CD-OD1 3.32Å; R297-D299 WeakPolarHBondContact CG-OD1 3.42Å; R297-D299 IonicContact CZ-OD1 3.08Å; R297-D299 IonicContact CZ-OD2 2.99Å; R297-D299 IonicContact NE-OD1 3.72Å; R297-D299 PolarHBondContact NE-OD1 2.91Å; R297-D299 IonicContact NE-OD2 3.87Å; R297-D299 PolarHBondContact NE-OD2 3.39Å; R297-D299 IonicContact NH2-OD1 3.96Å; R297-D299 IonicContact NH2-OD2 3.84Å; R297-D299 PolarHBondContact NH2-OD2 2.95Å; R297-D299 PolarHBondContact O-N 3.3Å; R297-E300 HydrophobicContact CB-CB 4.21Å; R297-E300 HydrophobicContact CB-CG 4.17Å; R297-E300 IonicContact NH2-OE1 3.71Å; R297-E300 PolarHBondContact NH2-OE1 3.46Å; R297-E300 PolarHBondContact O-N 3.19Å; R297-K301 PolarHBondContact O-N 2.92Å; R297-D343 IonicContact NH1-OD2 3.67Å; R297-D343 IonicContact NH2-OD2 3.3Å
298Q98.1Very high97.8Very high143 Ų14355.5 Ų55.567%0.66830%0.296SS*.Hα-helixtrans-60-37.6-164.2-174.161.145.400113.7E296 A302E296-Q298 PolarHBondContact O-N 2.98Å; Q298-A302 VanDerWaalsContact O-CB 3.3Å; Q298-A302 WeakPolarHBondContact O-CB 3.25Å; Q298-A302 PolarHBondContact O-N 3.21Å; Q298-A302 VanDerWaalsContact O-N 3.11Å
299D98.1Very high98Very high79 Ų7949.7 Ų49.742%0.42227%0.273SS..Hα-helixtrans-70.7-42.1175.862.5-35.5000112.1R297 A302 R303R297-D299 VanDerWaalsContact C-N 3.3Å; R297-D299 WeakPolarHBondContact CD-OD1 3.32Å; R297-D299 WeakPolarHBondContact CG-OD1 3.42Å; R297-D299 IonicContact CZ-OD1 3.08Å; R297-D299 IonicContact CZ-OD2 2.99Å; R297-D299 IonicContact NE-OD1 3.72Å; R297-D299 PolarHBondContact NE-OD1 2.91Å; R297-D299 IonicContact NE-OD2 3.87Å; R297-D299 PolarHBondContact NE-OD2 3.39Å; R297-D299 IonicContact NH2-OD1 3.96Å; R297-D299 IonicContact NH2-OD2 3.84Å; R297-D299 PolarHBondContact NH2-OD2 2.95Å; R297-D299 PolarHBondContact O-N 3.3Å; D299-A302 PolarHBondContact O-N 3.28Å; D299-R303 WeakPolarHBondContact O-CB 3.39Å; D299-R303 PolarHBondContact O-N 3.27Å
300E98.6Very high98Very high2 Ų253.5 Ų53.51%0.00929%0.289CS..Hα-helixtrans-65.1-45.9176.4-67.3-5611700111.7R297 A302 R303 I304 S326 R327R297-E300 HydrophobicContact CB-CB 4.21Å; R297-E300 HydrophobicContact CB-CG 4.17Å; R297-E300 IonicContact NH2-OE1 3.71Å; R297-E300 PolarHBondContact NH2-OE1 3.46Å; R297-E300 PolarHBondContact O-N 3.19Å; E300-A302 PolarHBondContact O-N 3.09Å; E300-R303 WeakPolarHBondContact O-CB 3.46Å; E300-R303 PolarHBondContact O-N 3.4Å; E300-R303 IonicContact OE2-CZ 2.68Å; E300-R303 IonicContact OE2-NE 3.46Å; E300-R303 PolarHBondContact OE2-NE 3.1Å; E300-R303 IonicContact OE2-NH2 3.88Å; E300-R303 PolarHBondContact OE2-NH2 3.49Å; E300-I304 WeakPolarHBondContact O-CD1 3.28Å; E300-I304 VanDerWaalsContact O-CG1 3.25Å; E300-I304 WeakPolarHBondContact O-CG1 3.46Å; E300-I304 PolarHBondContact O-N 3.05Å; E300-S326 WeakPolarHBondContact CG-OG 3.45Å; E300-S326 PolarHBondContact OE2-OG 3.46Å; E300-R327 VanDerWaalsContact CD-NE 3.32Å; E300-R327 IonicContact OE1-CZ 3.4Å; E300-R327 VanDerWaalsContact OE1-CZ 3.26Å; E300-R327 IonicContact OE1-NE 3.48Å; E300-R327 PolarHBondContact OE1-NE 2.95Å; E300-R327 IonicContact OE1-NH2 3.32Å; E300-R327 PolarHBondContact OE1-NH2 3.16Å; E300-R327 WeakPolarHBondContact OE2-CG 3.46Å; E300-R327 IonicContact OE2-NE 3.81Å; E300-R327 PolarHBondContact OE2-NE 3.13Å; E300-R327 VanDerWaalsContact OE2-NE 3.08Å
301K98.4Very high98Very high58 Ų5853.6 Ų53.625%0.25229%0.29SS..Hα-helixtrans-57.2-49.3174.8-179.5173.6175.4178.90111.3P295 R297 R303 I304 E305 V311P295-K301 WeakPolarHBondContact O-CB 3.47Å; R297-K301 PolarHBondContact O-N 2.92Å; K301-R303 VanDerWaalsContact C-N 3.31Å; K301-R303 PolarHBondContact O-N 3.41Å; K301-I304 PolarHBondContact O-N 3.2Å; K301-E305 WeakPolarHBondContact CE-OE1 3.28Å; K301-E305 HydrophobicContact CG-CG 4.4Å; K301-E305 IonicContact NZ-OE1 3.88Å; K301-E305 WeakPolarHBondContact O-CB 3.45Å; K301-E305 WeakPolarHBondContact O-CG 3.36Å; K301-E305 PolarHBondContact O-N 3.1Å; K301-V311 HydrophobicContact CB-CG2 4.27Å; K301-V311 HydrophobicContact CD-CB 4.42Å; K301-V311 HydrophobicContact CG-CB 4.17Å; K301-V311 HydrophobicContact CG-CG2 3.97Å
302A98.6Very high98Very high47 Ų4750.5 Ų50.539%0.38828%0.279SS..Hα-helixtrans-61.2-40.517900000111.8Q298 D299 E300 A306Q298-A302 VanDerWaalsContact O-CB 3.3Å; Q298-A302 WeakPolarHBondContact O-CB 3.25Å; Q298-A302 PolarHBondContact O-N 3.21Å; Q298-A302 VanDerWaalsContact O-N 3.11Å; D299-A302 PolarHBondContact O-N 3.28Å; E300-A302 PolarHBondContact O-N 3.09Å; A302-A306 VanDerWaalsContact O-CB 3.24Å; A302-A306 WeakPolarHBondContact O-CB 3.1Å; A302-A306 PolarHBondContact O-N 3.36Å
303R98.5Very high97.9Very high57 Ų5755.3 Ų55.322%0.21530%0.3CS..Hα-helixtrans-62-46.4174.9-175-169.862.8713111.6D299 E300 K301 A306 L307 S326 P336 Y337D299-R303 WeakPolarHBondContact O-CB 3.39Å; D299-R303 PolarHBondContact O-N 3.27Å; E300-R303 WeakPolarHBondContact O-CB 3.46Å; E300-R303 PolarHBondContact O-N 3.4Å; E300-R303 IonicContact OE2-CZ 2.68Å; E300-R303 IonicContact OE2-NE 3.46Å; E300-R303 PolarHBondContact OE2-NE 3.1Å; E300-R303 IonicContact OE2-NH2 3.88Å; E300-R303 PolarHBondContact OE2-NH2 3.49Å; K301-R303 VanDerWaalsContact C-N 3.31Å; K301-R303 PolarHBondContact O-N 3.41Å; R303-A306 PolarHBondContact O-N 2.83Å; R303-L307 HydrophobicContact CG-CD1 4.46Å; R303-L307 WeakPolarHBondContact O-CG 3.29Å; R303-L307 PolarHBondContact O-N 2.88Å; R303-S326 PolarHBondContact NH2-O 3.33Å; R303-P336 PolarHBondContact NH1-O 2.66Å; R303-Y337 VanDerWaalsContact CZ-O 3.29Å; R303-Y337 PolarHBondContact NH1-O 2.83Å; R303-Y337 PolarHBondContact NH2-O 3.05Å
304I98.7Very high97.4Very high0 Ų060.5 Ų60.50%033%0.325CS..Hα-helixtrans-62.4-46.9179.5-69.8159000110.9E300 K301 L307 G309 V311 V319E300-I304 WeakPolarHBondContact O-CD1 3.28Å; E300-I304 VanDerWaalsContact O-CG1 3.25Å; E300-I304 WeakPolarHBondContact O-CG1 3.46Å; E300-I304 PolarHBondContact O-N 3.05Å; K301-I304 PolarHBondContact O-N 3.2Å; I304-L307 PolarHBondContact O-N 2.83Å; I304-G309 WeakPolarHBondContact O-CA 3.42Å; I304-G309 PolarHBondContact O-N 3.28Å; I304-V311 HydrophobicContact CB-CG2 4.38Å; I304-V311 HydrophobicContact CD1-CG2 3.91Å; I304-V311 HydrophobicContact CG2-CG2 4.17Å; I304-V319 HydrophobicContact CD1-CB 4.5Å; I304-V319 HydrophobicContact CD1-CG1 4.17Å; I304-V319 HydrophobicContact CD1-CG2 3.65Å; I304-V319 HydrophobicContact CG1-CG1 4.39Å; I304-V319 HydrophobicContact CG2-CG1 4.05Å
305E98.3Very high97Very high93 Ų9364.8 Ų64.844%0.43535%0.354SS..Hα-helixtrans-66.1-36.9179.5-70.7175.6165.200112K301 L307 G308 G309K301-E305 WeakPolarHBondContact CE-OE1 3.28Å; K301-E305 HydrophobicContact CG-CG 4.4Å; K301-E305 IonicContact NZ-OE1 3.88Å; K301-E305 WeakPolarHBondContact O-CB 3.45Å; K301-E305 WeakPolarHBondContact O-CG 3.36Å; K301-E305 PolarHBondContact O-N 3.1Å; E305-L307 PolarHBondContact O-N 3.17Å; E305-G308 PolarHBondContact O-N 2.82Å; E305-G309 WeakPolarHBondContact CA-O 3.28Å
306A98.4Very high96.8Very high90 Ų9066.9 Ų66.974%0.74437%0.368SS*.Hα-helixtrans-64.7-26.2174.800000113.3A302 R303 G308A302-A306 VanDerWaalsContact O-CB 3.24Å; A302-A306 WeakPolarHBondContact O-CB 3.1Å; A302-A306 PolarHBondContact O-N 3.36Å; R303-A306 PolarHBondContact O-N 2.83Å; A306-G308 VanDerWaalsContact C-N 3.27Å
307L98.2Very high96.8Very high78 Ų7868 Ų6841%0.40837%0.369SS..THydrogen-bonded Turntrans-83.70.7173.7-67.3169.3000113R303 I304 E305 P336 Y337R303-L307 HydrophobicContact CG-CD1 4.46Å; R303-L307 WeakPolarHBondContact O-CG 3.29Å; R303-L307 PolarHBondContact O-N 2.88Å; I304-L307 PolarHBondContact O-N 2.83Å; E305-L307 PolarHBondContact O-N 3.17Å; L307-P336 HydrophobicContact CD1-CB 4.31Å; L307-P336 HydrophobicContact CD1-CG 4.34Å; L307-P336 WeakPolarHBondContact CD1-O 3.26Å; L307-P336 HydrophobicContact CD2-CG 4.41Å; L307-Y337 HydrophobicContact CB-CD1 4.03Å; L307-Y337 HydrophobicContact CB-CE1 4.16Å; L307-Y337 WeakPolarHBondContact O-CE1 3.4Å
308G97.9Very high96.8Very high64 Ų6469.6 Ų69.666%0.6638%0.375SS*.THydrogen-bonded Turntrans875.8-177.400000114.6E305 A306E305-G308 PolarHBondContact O-N 2.82Å; A306-G308 VanDerWaalsContact C-N 3.27Å
309G97.8Very high96.8Very high9 Ų962.8 Ų62.89%0.09334%0.343CS..  trans-83.4-175.8172.800000112.1I304 E305 N320 Y337I304-G309 WeakPolarHBondContact O-CA 3.42Å; I304-G309 PolarHBondContact O-N 3.28Å; E305-G309 WeakPolarHBondContact CA-O 3.28Å; G309-N320 VanDerWaalsContact CA-OD1 3.28Å; G309-N320 WeakPolarHBondContact CA-OD1 3.35Å; G309-Y337 VanDerWaalsContact N-CE1 3.29Å
310F97.4Very high96.7Very high104 Ų10460.6 Ų60.646%0.45633%0.332SS..  trans-143.8159.9173.666.8-86.9000112N320F310-N320 HydrophobicContact CE1-CB 4.15Å; F310-N320 VanDerWaalsContact CZ-C 3.47Å; F310-N320 HydrophobicContact CZ-CB 4.39Å; F310-N320 PolarHBondContact N-OD1 3.4Å; F310-N320 PolarHBondContact O-N 2.8Å; F310-N320 PolarHBondContact O-OD1 3.37Å
311V97.9Very high96.6Very high15 Ų1561.6 Ų61.69%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-115120.7173.7175.50000108.9P295 K301 I304 W317 R318P295-V311 HydrophobicContact CB-CG1 3.79Å; P295-V311 HydrophobicContact CB-CG2 4.22Å; K301-V311 HydrophobicContact CB-CG2 4.27Å; K301-V311 HydrophobicContact CD-CB 4.42Å; K301-V311 HydrophobicContact CG-CB 4.17Å; K301-V311 HydrophobicContact CG-CG2 3.97Å; I304-V311 HydrophobicContact CB-CG2 4.38Å; I304-V311 HydrophobicContact CD1-CG2 3.91Å; I304-V311 HydrophobicContact CG2-CG2 4.17Å; V311-W317 HydrophobicContact CG1-CB 4.48Å; V311-W317 HydrophobicContact CG1-CD2 4.48Å; V311-W317 HydrophobicContact CG1-CE3 3.66Å; V311-W317 HydrophobicContact CG1-CZ3 4.27Å; V311-R318 WeakPolarHBondContact CA-O 3.31Å
312S96.9Very high96.4Very high22 Ų2262.2 Ų62.215%0.15435%0.351CS..EExtended strand (participates in β ladder)trans-124.9143.4-177.961.80000111.7R318 G321S312-R318 PolarHBondContact N-O 2.72Å; S312-R318 PolarHBondContact O-N 3.27Å; S312-G321 WeakPolarHBondContact OG-CA 3.18Å; S312-G321 PolarHBondContact OG-N 3.35Å
313H95.8Very high96.3Very high113 Ų11361.2 Ų61.252%0.52334%0.339SS..EExtended strand (participates in β ladder)trans-92.5112.4175.8-173.5-92000110.9W317H313-W317 HydrophobicContact CB-CD2 4.03Å; H313-W317 HydrophobicContact CB-CE3 3.76Å; H313-W317 HydrophobicContact CB-CH2 4.16Å; H313-W317 HydrophobicContact CB-CZ2 4.37Å; H313-W317 HydrophobicContact CB-CZ3 3.85Å; H313-W317 AromaticContact CD2-CD1 3.94Å; H313-W317 AromaticContact CD2-CD2 3.88Å; H313-W317 AromaticContact CD2-CE2 3.78Å; H313-W317 AromaticContact CD2-NE1 3.78Å
314M88.1Confident96.2Very high108 Ų10860.3 Ų60.353%0.53234%0.343SS..SBendtrans-136.791.2174.8-64.1-175.5-173.500108.4C316 R318M314-C316 CarbonylContact C-O 3.56Å; M314-C316 PolarHBondContact N-O 3.36Å; M314-C316 PolarHBondContact O-N 2.86Å; M314-R318 PolarHBondContact O-NE 2.87Å
315D89.9Confident96.1Very high164 Ų16460.7 Ų60.788%0.87735%0.346SS*.SBendtrans63.7-40.4-165.3-53-39.2000114.6
316C93.2Very high96.1Very high45 Ų4556.3 Ų56.330%0.30433%0.325SS..SBendtrans-136.7171.2165.264.10000110.2M314 R318M314-C316 CarbonylContact C-O 3.56Å; M314-C316 PolarHBondContact N-O 3.36Å; M314-C316 PolarHBondContact O-N 2.86Å; C316-R318 VanDerWaalsContact SG-CZ 3.58Å; C316-R318 PolarHBondContact SG-NH2 3.09Å; C316-R318 VanDerWaalsContact SG-NH2 3.36Å
317W97.1Very high96.2Very high97 Ų9753 Ų5337%0.36729%0.293SS..EExtended strand (participates in β ladder)trans-71.4133.3174.8-67.6104.3000110.9P295 E296 V311 H313 A324P295-W317 HydrophobicContact CB-CB 4.19Å; E296-W317 HydrophobicContact CB-CB 4.2Å; E296-W317 HydrophobicContact CB-CD2 3.88Å; E296-W317 HydrophobicContact CB-CG 3.64Å; E296-W317 VanDerWaalsContact CD-CD1 3.41Å; E296-W317 HydrophobicContact CG-CG 4.18Å; E296-W317 VanDerWaalsContact OE2-CB 3.27Å; E296-W317 WeakPolarHBondContact OE2-CB 3.23Å; V311-W317 HydrophobicContact CG1-CB 4.48Å; V311-W317 HydrophobicContact CG1-CD2 4.48Å; V311-W317 HydrophobicContact CG1-CE3 3.66Å; V311-W317 HydrophobicContact CG1-CZ3 4.27Å; H313-W317 HydrophobicContact CB-CD2 4.03Å; H313-W317 HydrophobicContact CB-CE3 3.76Å; H313-W317 HydrophobicContact CB-CH2 4.16Å; H313-W317 HydrophobicContact CB-CZ2 4.37Å; H313-W317 HydrophobicContact CB-CZ3 3.85Å; H313-W317 AromaticContact CD2-CD1 3.94Å; H313-W317 AromaticContact CD2-CD2 3.88Å; H313-W317 AromaticContact CD2-CE2 3.78Å; H313-W317 AromaticContact CD2-NE1 3.78Å; W317-A324 WeakPolarHBondContact O-CA 3.29Å
318R97.9Very high96.2Very high73 Ų7349.2 Ų49.228%0.27527%0.274SS..EExtended strand (participates in β ladder)trans-135.8139.5-175.8-63.1177.5-178-81.9-7.1112.4V311 S312 M314 C316 T322 L323V311-R318 WeakPolarHBondContact CA-O 3.31Å; S312-R318 PolarHBondContact N-O 2.72Å; S312-R318 PolarHBondContact O-N 3.27Å; M314-R318 PolarHBondContact O-NE 2.87Å; C316-R318 VanDerWaalsContact SG-CZ 3.58Å; C316-R318 PolarHBondContact SG-NH2 3.09Å; C316-R318 VanDerWaalsContact SG-NH2 3.36Å; R318-T322 PolarHBondContact NH1-O 2.94Å; R318-L323 CarbonylContact C-O 3.56Å; R318-L323 WeakPolarHBondContact CA-O 3.39Å
319V97.6Very high96.2Very high0 Ų046.2 Ų46.20%024%0.243CC..EExtended strand (participates in β ladder)trans-71.4123.7168.1-173.60000108.7P295 I304 G321 T322 L323 V325 V338P295-V319 HydrophobicContact CB-CG2 4.03Å; P295-V319 HydrophobicContact CG-CG2 3.8Å; I304-V319 HydrophobicContact CD1-CB 4.5Å; I304-V319 HydrophobicContact CD1-CG1 4.17Å; I304-V319 HydrophobicContact CD1-CG2 3.65Å; I304-V319 HydrophobicContact CG1-CG1 4.39Å; I304-V319 HydrophobicContact CG2-CG1 4.05Å; V319-G321 PolarHBondContact O-N 3.26Å; V319-T322 PolarHBondContact O-N 3.4Å; V319-L323 PolarHBondContact N-O 3.4Å; V319-L323 PolarHBondContact O-N 3.39Å; V319-V325 WeakPolarHBondContact CG2-O 3.34Å; V319-V338 HydrophobicContact CB-CG2 4.32Å; V319-V338 HydrophobicContact CG1-CG2 4.22Å; V319-V338 HydrophobicContact CG2-CG2 4.29Å
320N96.4Very high96.3Very high34 Ų3445.8 Ų45.818%0.18224%0.238CC..THydrogen-bonded Turntrans48.934.1-178.2-60.6-25.9000113.3G309 F310 T322 Y337G309-N320 VanDerWaalsContact CA-OD1 3.28Å; G309-N320 WeakPolarHBondContact CA-OD1 3.35Å; F310-N320 HydrophobicContact CE1-CB 4.15Å; F310-N320 VanDerWaalsContact CZ-C 3.47Å; F310-N320 HydrophobicContact CZ-CB 4.39Å; F310-N320 PolarHBondContact N-OD1 3.4Å; F310-N320 PolarHBondContact O-N 2.8Å; F310-N320 PolarHBondContact O-OD1 3.37Å; N320-T322 PolarHBondContact O-N 3.33Å; N320-T322 VanDerWaalsContact O-N 3.17Å; N320-T322 PolarHBondContact O-OG1 2.8Å; N320-Y337 WeakPolarHBondContact ND2-CD2 3.36Å; N320-Y337 WeakPolarHBondContact ND2-CE2 3.32Å
321G94.9Very high96.3Very high22 Ų2241.2 Ų41.223%0.22722%0.219CC..THydrogen-bonded Turntrans68.65.3-176.500000115.8S312 V319S312-G321 WeakPolarHBondContact OG-CA 3.18Å; S312-G321 PolarHBondContact OG-N 3.35Å; V319-G321 PolarHBondContact O-N 3.26Å
322T94.8Very high96.2Very high72 Ų7242.7 Ų42.744%0.44223%0.228SC..THydrogen-bonded Turntrans-111.8-67.9-171.2-51.80000112.8R318 V319 N320R318-T322 PolarHBondContact NH1-O 2.94Å; V319-T322 PolarHBondContact O-N 3.4Å; N320-T322 PolarHBondContact O-N 3.33Å; N320-T322 VanDerWaalsContact O-N 3.17Å; N320-T322 PolarHBondContact O-OG1 2.8Å
323L96Very high96.1Very high26 Ų2648.8 Ų48.814%0.13625%0.252CS..BIsolated β-bridgetrans-97135.8-170.4-72.7179.3000113R318 V319 V325 D331 Q334 V338R318-L323 CarbonylContact C-O 3.56Å; R318-L323 WeakPolarHBondContact CA-O 3.39Å; V319-L323 PolarHBondContact N-O 3.4Å; V319-L323 PolarHBondContact O-N 3.39Å; L323-V325 VanDerWaalsContact C-N 3.25Å; L323-V325 PolarHBondContact O-N 3.22Å; L323-D331 HydrophobicContact CD1-CB 3.94Å; L323-D331 VanDerWaalsContact CD1-CG 3.47Å; L323-Q334 HydrophobicContact CD1-CB 3.88Å; L323-Q334 HydrophobicContact CD1-CG 3.55Å; L323-Q334 HydrophobicContact CG-CG 4.15Å; L323-V338 HydrophobicContact CB-CG2 4.48Å; L323-V338 HydrophobicContact CD1-CG2 3.82Å
324A96.6Very high96.1Very high37 Ų3744.9 Ų44.931%0.30623%0.233SC..SBendtrans-83.22.1178.800000113.9P295 W317P295-A324 WeakPolarHBondContact CD-O 3.24Å; W317-A324 WeakPolarHBondContact O-CA 3.29Å
325V97.8Very high96.5Very high9 Ų942 Ų426%0.05522%0.218CC..  trans-119.5146.9175.8-65.30000110.1T257 D275 V319 L323 A328T257-V325 HydrophobicContact CG2-CG1 4.02Å; D275-V325 HydrophobicContact CB-CG1 4.41Å; D275-V325 WeakPolarHBondContact OD1-CG1 3.25Å; D275-V325 WeakPolarHBondContact OD2-CG1 3.49Å; V319-V325 WeakPolarHBondContact CG2-O 3.34Å; L323-V325 VanDerWaalsContact C-N 3.25Å; L323-V325 PolarHBondContact O-N 3.22Å; V325-A328 HydrophobicContact CG2-CB 4.44Å
326S98.4Very high96.8Very high0 Ų037.8 Ų37.80%020%0.2CC..SBendtrans-97-14.2179.8590000113.9H293 E300 R303 V338 S339H293-S326 WeakPolarHBondContact CB-OG 3.48Å; H293-S326 PolarHBondContact O-N 2.91Å; H293-S326 PolarHBondContact O-OG 2.92Å; E300-S326 WeakPolarHBondContact CG-OG 3.45Å; E300-S326 PolarHBondContact OE2-OG 3.46Å; R303-S326 PolarHBondContact NH2-O 3.33Å; S326-V338 VanDerWaalsContact O-CA 3.3Å; S326-V338 WeakPolarHBondContact O-CA 3.38Å; S326-S339 PolarHBondContact O-N 3.3Å
327R98.8Very high97.1Very high20 Ų2038.7 Ų38.78%0.07520%0.197CC..BIsolated β-bridgetrans-138.8137.1176.9-51-159.6-172168.912.3110.1L273 G274 H293 E300 S339 E341 D343L273-R327 HydrophobicContact CB-CB 4.46Å; L273-R327 HydrophobicContact CD1-CB 4.23Å; L273-R327 HydrophobicContact CG-CB 3.73Å; G274-R327 VanDerWaalsContact CA-O 3.23Å; G274-R327 WeakPolarHBondContact CA-O 2.91Å; G274-R327 PolarHBondContact N-O 2.61Å; G274-R327 VanDerWaalsContact N-O 3.14Å; H293-R327 HydrophobicContact CB-CB 4.12Å; H293-R327 HydrophobicContact CB-CG 3.96Å; H293-R327 PolarHBondContact CD2-NE 3.19Å; H293-R327 PolarHBondContact NE2-NH1 3.47Å; E300-R327 VanDerWaalsContact CD-NE 3.32Å; E300-R327 IonicContact OE1-CZ 3.4Å; E300-R327 VanDerWaalsContact OE1-CZ 3.26Å; E300-R327 IonicContact OE1-NE 3.48Å; E300-R327 PolarHBondContact OE1-NE 2.95Å; E300-R327 IonicContact OE1-NH2 3.32Å; E300-R327 PolarHBondContact OE1-NH2 3.16Å; E300-R327 WeakPolarHBondContact OE2-CG 3.46Å; E300-R327 IonicContact OE2-NE 3.81Å; E300-R327 PolarHBondContact OE2-NE 3.13Å; E300-R327 VanDerWaalsContact OE2-NE 3.08Å; R327-S339 CarbonylContact C-O 3.59Å; R327-S339 WeakPolarHBondContact CA-O 3.41Å; R327-S339 WeakPolarHBondContact CB-O 3.4Å; R327-E341 WeakPolarHBondContact CD-O 3.5Å; R327-E341 PolarHBondContact NH1-O 3.3Å; R327-D343 IonicContact CZ-OD1 2.77Å; R327-D343 IonicContact NH1-OD1 2.81Å; R327-D343 PolarHBondContact NH1-OD1 3.03Å; R327-D343 IonicContact NH1-OD2 3.21Å; R327-D343 IonicContact NH2-OD1 3.73Å; R327-D343 PolarHBondContact NH2-OD1 3.5Å; R327-D343 IonicContact NH2-OD2 2.59Å
328A98.8Very high97.1Very high0 Ų034 Ų340%018%0.18CC..  trans-159149.2-175.300000111.5T256 V325 D331 K335 V338 S339T256-A328 WeakPolarHBondContact O-CA 3.43Å; V325-A328 HydrophobicContact CG2-CB 4.44Å; A328-D331 WeakPolarHBondContact CB-OD2 3.46Å; A328-K335 PolarHBondContact O-NZ 2.99Å; A328-V338 HydrophobicContact CB-CG1 3.48Å; A328-V338 VanDerWaalsContact CB-CG1 3.48Å; A328-S339 PolarHBondContact N-O 2.9Å
329I98.9Very high97.1Very high0 Ų031.2 Ų31.20%017%0.171CC..EExtended strand (participates in β ladder)trans-78135.7158.8-73.8168.5000106.8A210 V214 F236 T239 D240 F243 G255 T256A210-I329 HydrophobicContact CB-CD1 3.79Å; V214-I329 HydrophobicContact CG2-CD1 4Å; F236-I329 HydrophobicContact CD1-CD1 3.82Å; F236-I329 HydrophobicContact CD1-CG1 4.44Å; F236-I329 HydrophobicContact CE1-CD1 4.26Å; T239-I329 HydrophobicContact CG2-CD1 4.03Å; D240-I329 HydrophobicContact CB-CG1 4.18Å; D240-I329 VanDerWaalsContact OD1-CA 3.27Å; D240-I329 WeakPolarHBondContact OD1-CA 3.48Å; F243-I329 HydrophobicContact CB-CG2 4.1Å; F243-I329 HydrophobicContact CD1-CG2 4.06Å; F243-I329 HydrophobicContact CG-CG2 4.25Å; G255-I329 CarbonylContact C-O 3.59Å; G255-I329 WeakPolarHBondContact CA-O 3.22Å; T256-I329 HydrophobicContact CG2-CB 3.82Å; T256-I329 HydrophobicContact CG2-CG2 4.2Å; T256-I329 PolarHBondContact N-O 3.39Å; T256-I329 PolarHBondContact O-N 3Å
330G98.4Very high97.1Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans87.4-136.7-178.300000112.8D240 F243 V332 K335D240-G330 PolarHBondContact OD1-N 3.21Å; F243-G330 VanDerWaalsContact CD1-CA 3.49Å; G330-V332 PolarHBondContact O-N 3.21Å; G330-K335 WeakPolarHBondContact O-CE 3.38Å
331D97.8Very high97.2Very high9 Ų935.1 Ų35.15%0.04819%0.191CC..  trans53.449.8-177.8-64.7-46.4000113.9H201 S254 G255 L323 A328 F333 Q334 K335H201-D331 IonicContact CD2-OD1 2.95Å; H201-D331 PolarHBondContact CD2-OD1 3.1Å; H201-D331 IonicContact CE1-OD1 2.8Å; H201-D331 IonicContact CE1-OD2 3.83Å; H201-D331 PolarHBondContact CE1-OD2 3.19Å; H201-D331 IonicContact NE2-OD1 3.19Å; H201-D331 PolarHBondContact NE2-OD1 3.08Å; H201-D331 IonicContact NE2-OD2 3.69Å; H201-D331 PolarHBondContact NE2-OD2 2.71Å; S254-D331 PolarHBondContact O-N 3.17Å; G255-D331 WeakPolarHBondContact CA-OD1 3.48Å; L323-D331 HydrophobicContact CD1-CB 3.94Å; L323-D331 VanDerWaalsContact CD1-CG 3.47Å; A328-D331 WeakPolarHBondContact CB-OD2 3.46Å; D331-F333 VanDerWaalsContact C-N 3.26Å; D331-F333 PolarHBondContact O-N 2.83Å; D331-F333 VanDerWaalsContact O-N 3.09Å; D331-Q334 HydrophobicContact CB-CB 4.11Å; D331-Q334 HydrophobicContact CB-CG 4.48Å; D331-Q334 WeakPolarHBondContact O-CA 3.4Å; D331-Q334 PolarHBondContact O-N 3.49Å; D331-K335 PolarHBondContact O-N 3.48Å
332V96.1Very high97.3Very high46 Ų4634.1 Ų34.128%0.27918%0.18SC..G310 helixtrans-44.6-48.5-173.2-179.50000112.7L244 A247 G330 Q334 K335L244-V332 HydrophobicContact CD2-CB 4.35Å; L244-V332 HydrophobicContact CD2-CG2 3.74Å; A247-V332 HydrophobicContact CB-CG2 3.68Å; G330-V332 PolarHBondContact O-N 3.21Å; V332-Q334 PolarHBondContact O-N 3.07Å; V332-K335 PolarHBondContact O-N 2.87Å
333F94.7Very high97.5Very high150 Ų15032.4 Ų32.466%0.65817%0.168SC*.G310 helixtrans-75.2-6.6-177.1-61.4-66.9000115.1Q253 D331Q253-F333 HydrophobicContact CG-CE2 3.9Å; D331-F333 VanDerWaalsContact C-N 3.26Å; D331-F333 PolarHBondContact O-N 2.83Å; D331-F333 VanDerWaalsContact O-N 3.09Å
334Q96.4Very high97.6Very high30 Ų3032.7 Ų32.714%0.1417%0.174CC..G310 helixtrans-108.8-4.1-179.4-57.6-72.3-1800111.5L323 D331 V332 Y337 V338L323-Q334 HydrophobicContact CD1-CB 3.88Å; L323-Q334 HydrophobicContact CD1-CG 3.55Å; L323-Q334 HydrophobicContact CG-CG 4.15Å; D331-Q334 HydrophobicContact CB-CB 4.11Å; D331-Q334 HydrophobicContact CB-CG 4.48Å; D331-Q334 WeakPolarHBondContact O-CA 3.4Å; D331-Q334 PolarHBondContact O-N 3.49Å; V332-Q334 PolarHBondContact O-N 3.07Å; Q334-Y337 CarbonylContact O-C 3.52Å; Q334-Y337 WeakPolarHBondContact O-CA 3.11Å; Q334-Y337 WeakPolarHBondContact O-CB 3.48Å; Q334-Y337 WeakPolarHBondContact O-CD2 3.49Å; Q334-Y337 PolarHBondContact O-N 3.04Å; Q334-V338 HydrophobicContact CB-CB 4.11Å; Q334-V338 HydrophobicContact CB-CG2 3.89Å; Q334-V338 PolarHBondContact O-N 3.15Å
335K96.8Very high97.7Very high47 Ų4732.6 Ų32.620%0.20417%0.174CC..THydrogen-bonded Turntrans-69.8139.3168-59.5-73.4163.7174.20109.1D240 L244 A328 G330 D331 V332 V338D240-K335 IonicContact OD1-NZ 2.88Å; D240-K335 PolarHBondContact OD1-NZ 3.44Å; D240-K335 IonicContact OD2-NZ 4Å; D240-K335 PolarHBondContact OD2-NZ 3.35Å; L244-K335 HydrophobicContact CD1-CD 4.4Å; L244-K335 HydrophobicContact CD1-CG 4.41Å; L244-K335 HydrophobicContact CD2-CG 4.21Å; A328-K335 PolarHBondContact O-NZ 2.99Å; G330-K335 WeakPolarHBondContact O-CE 3.38Å; D331-K335 PolarHBondContact O-N 3.48Å; V332-K335 PolarHBondContact O-N 2.87Å; K335-V338 VanDerWaalsContact CD-O 3.23Å; K335-V338 WeakPolarHBondContact CD-O 3.27Å; K335-V338 WeakPolarHBondContact CE-O 3.2Å; K335-V338 PolarHBondContact NZ-O 3.3Å
336P96.6Very high97.7Very high77 Ų7735.4 Ų35.450%0.519%0.194SC..THydrogen-bonded Turncis-90.62.33.236.8-35.8000114.5R303 L307 V338R303-P336 PolarHBondContact NH1-O 2.66Å; L307-P336 HydrophobicContact CD1-CB 4.31Å; L307-P336 HydrophobicContact CD1-CG 4.34Å; L307-P336 WeakPolarHBondContact CD1-O 3.26Å; L307-P336 HydrophobicContact CD2-CG 4.41Å; P336-V338 PolarHBondContact O-N 3.4Å
337Y97.9Very high97.7Very high63 Ų6339.4 Ų39.425%0.24721%0.209CC..THydrogen-bonded Turntrans-62.8-42-175.9-46.6-72.1000112.1R303 L307 G309 N320 Q334R303-Y337 VanDerWaalsContact CZ-O 3.29Å; R303-Y337 PolarHBondContact NH1-O 2.83Å; R303-Y337 PolarHBondContact NH2-O 3.05Å; L307-Y337 HydrophobicContact CB-CD1 4.03Å; L307-Y337 HydrophobicContact CB-CE1 4.16Å; L307-Y337 WeakPolarHBondContact O-CE1 3.4Å; G309-Y337 VanDerWaalsContact N-CE1 3.29Å; N320-Y337 WeakPolarHBondContact ND2-CD2 3.36Å; N320-Y337 WeakPolarHBondContact ND2-CE2 3.32Å; Q334-Y337 CarbonylContact O-C 3.52Å; Q334-Y337 WeakPolarHBondContact O-CA 3.11Å; Q334-Y337 WeakPolarHBondContact O-CB 3.48Å; Q334-Y337 WeakPolarHBondContact O-CD2 3.49Å; Q334-Y337 PolarHBondContact O-N 3.04Å
338V98.3Very high97.7Very high0 Ų041.6 Ų41.60%023%0.231CC..SBendtrans-90.2106.2171.2176.30000109.9V319 L323 S326 A328 Q334 K335 P336V319-V338 HydrophobicContact CB-CG2 4.32Å; V319-V338 HydrophobicContact CG1-CG2 4.22Å; V319-V338 HydrophobicContact CG2-CG2 4.29Å; L323-V338 HydrophobicContact CB-CG2 4.48Å; L323-V338 HydrophobicContact CD1-CG2 3.82Å; S326-V338 VanDerWaalsContact O-CA 3.3Å; S326-V338 WeakPolarHBondContact O-CA 3.38Å; A328-V338 HydrophobicContact CB-CG1 3.48Å; A328-V338 VanDerWaalsContact CB-CG1 3.48Å; Q334-V338 HydrophobicContact CB-CB 4.11Å; Q334-V338 HydrophobicContact CB-CG2 3.89Å; Q334-V338 PolarHBondContact O-N 3.15Å; K335-V338 VanDerWaalsContact CD-O 3.23Å; K335-V338 WeakPolarHBondContact CD-O 3.27Å; K335-V338 WeakPolarHBondContact CE-O 3.2Å; K335-V338 PolarHBondContact NZ-O 3.3Å; P336-V338 PolarHBondContact O-N 3.4Å
339S98.1Very high97.6Very high14 Ų1442.7 Ų42.710%0.09824%0.237CC..BIsolated β-bridgetrans-74.1143.9-171.3-176.10000112.7S326 R327 A328 E341S326-S339 PolarHBondContact O-N 3.3Å; R327-S339 CarbonylContact C-O 3.59Å; R327-S339 WeakPolarHBondContact CA-O 3.41Å; R327-S339 WeakPolarHBondContact CB-O 3.4Å; A328-S339 PolarHBondContact N-O 2.9Å; S339-E341 VanDerWaalsContact C-N 3.31Å; S339-E341 WeakPolarHBondContact OG-CB 3.1Å; S339-E341 PolarHBondContact OG-N 2.7Å
340G97.3Very high97.4Very high9 Ų947.5 Ų47.59%0.09327%0.267CS..  trans-87.24.2168.100000114D240D240-G340 VanDerWaalsContact OD2-CA 3.29Å; D240-G340 WeakPolarHBondContact OD2-CA 3.29Å
341E97.1Very high97.2Very high107 Ų10750.2 Ų50.250%0.529%0.294SS..PPolyproline II helixtrans-90.6117.6-175.7-61.7-172167.800111.6R327 S339R327-E341 WeakPolarHBondContact CD-O 3.5Å; R327-E341 PolarHBondContact NH1-O 3.3Å; S339-E341 VanDerWaalsContact C-N 3.31Å; S339-E341 WeakPolarHBondContact OG-CB 3.1Å; S339-E341 PolarHBondContact OG-N 2.7Å
342A98.4Very high97.1Very high1 Ų150.8 Ų50.81%0.00830%0.299CS..PPolyproline II helixtrans-78.9149.3175.700000112.5R233 F236 W272 L273R233-A342 WeakPolarHBondContact CG-O 3.48Å; R233-A342 PolarHBondContact NH1-O 2.84Å; F236-A342 HydrophobicContact CB-CB 3.64Å; F236-A342 HydrophobicContact CD1-CB 4.36Å; F236-A342 HydrophobicContact CD2-CB 3.74Å; F236-A342 HydrophobicContact CE2-CB 4.49Å; F236-A342 HydrophobicContact CG-CB 3.67Å; W272-A342 VanDerWaalsContact O-CA 3.3Å; W272-A342 WeakPolarHBondContact O-CA 3.34Å; W272-A342 WeakPolarHBondContact O-CB 3.16Å; L273-A342 HydrophobicContact CB-CB 4.17Å
343D98.6Very high97.1Very high35 Ų3548.9 Ų48.919%0.18729%0.287CS..EExtended strand (participates in β ladder)trans-87.1157.3161.4-75.2-5.9000109A271 W272 H293 R297 R327A271-D343 CarbonylContact C-O 3.51Å; A271-D343 WeakPolarHBondContact CA-O 3.1Å; W272-D343 HydrophobicContact CD2-CB 4.14Å; W272-D343 HydrophobicContact CE3-CB 4.37Å; W272-D343 HydrophobicContact CH2-CB 3.69Å; W272-D343 HydrophobicContact CZ2-CB 3.4Å; W272-D343 VanDerWaalsContact CZ2-CB 3.4Å; W272-D343 HydrophobicContact CZ3-CB 4.17Å; W272-D343 PolarHBondContact N-O 2.8Å; W272-D343 PolarHBondContact O-N 2.72Å; H293-D343 IonicContact CE1-OD2 2.62Å; H293-D343 VanDerWaalsContact NE2-CG 3.32Å; H293-D343 IonicContact NE2-OD1 3.36Å; H293-D343 IonicContact NE2-OD2 2.8Å; H293-D343 PolarHBondContact NE2-OD2 3.34Å; R297-D343 IonicContact NH1-OD2 3.67Å; R297-D343 IonicContact NH2-OD2 3.3Å; R327-D343 IonicContact CZ-OD1 2.77Å; R327-D343 IonicContact NH1-OD1 2.81Å; R327-D343 PolarHBondContact NH1-OD1 3.03Å; R327-D343 IonicContact NH1-OD2 3.21Å; R327-D343 IonicContact NH2-OD1 3.73Å; R327-D343 PolarHBondContact NH2-OD1 3.5Å; R327-D343 IonicContact NH2-OD2 2.59Å
344A98.5Very high97.2Very high32 Ų3242 Ų4226%0.26426%0.257SS..EExtended strand (participates in β ladder)trans-147.1153.7174.700000112.4A229 R233 V270 A271A229-A344 HydrophobicContact CB-CB 4.04Å; R233-A344 HydrophobicContact CG-CB 3.53Å; V270-A344 CarbonylContact O-C 3.52Å; V270-A344 WeakPolarHBondContact O-CA 3.33Å; V270-A344 VanDerWaalsContact O-CB 3.28Å; V270-A344 WeakPolarHBondContact O-CB 3.18Å; A271-A344 HydrophobicContact CB-CB 3.94Å
345A98.3Very high97.3Very high35 Ų3540.5 Ų40.529%0.28925%0.25SS..EExtended strand (participates in β ladder)trans-142.5151.8177.600000110.5H269 V270 W272H269-A345 WeakPolarHBondContact CA-O 3.49Å; V270-A345 HydrophobicContact CG2-CB 3.94Å; V270-A345 PolarHBondContact N-O 3.23Å; V270-A345 PolarHBondContact O-N 2.88Å; W272-A345 HydrophobicContact CZ3-CB 4.22Å
346S98.5Very high97.4Very high68 Ų6838.3 Ų38.348%0.47624%0.241SC..EExtended strand (participates in β ladder)trans-124.3145.1175.6-57.20000110.7A229 L268 H269A229-S346 WeakPolarHBondContact CB-OG 3.49Å; L268-S346 CarbonylContact O-C 3.57Å; L268-S346 VanDerWaalsContact O-CA 3.3Å; L268-S346 WeakPolarHBondContact O-CA 3.4Å; H269-S346 PolarHBondContact ND1-OG 2.84Å
347R97.8Very high97.5Very high84 Ų8434.6 Ų34.632%0.31722%0.217SC..EExtended strand (participates in β ladder)trans-143.7130.8177-176.3-174.4178.7104.7-6.4110.1T267 L268T267-R347 WeakPolarHBondContact CG2-O 3.42Å; L268-R347 PolarHBondContact N-O 3.37Å; L268-R347 PolarHBondContact O-N 2.85Å
348A98Very high97.6Very high66 Ų6631.6 Ų31.655%0.54521%0.205SC..EExtended strand (participates in β ladder)trans-67.9132.9169.900000110.4
349L97.1Very high97.6Very high23 Ų2331.6 Ų31.612%0.1221%0.205CC..  trans-87.3131.1172.2-60.6176.3000108.8I263 V266 L268 E353 L414I263-L349 HydrophobicContact CG2-CD1 3.8Å; V266-L349 WeakPolarHBondContact O-CB 3.15Å; V266-L349 PolarHBondContact O-N 2.88Å; L268-L349 HydrophobicContact CB-CD1 4.34Å; L268-L349 HydrophobicContact CB-CD2 3.91Å; L268-L349 HydrophobicContact CB-CG 4.1Å; L349-E353 HydrophobicContact CD2-CB 4.4Å; L349-E353 HydrophobicContact CD2-CG 3.78Å; L349-L414 HydrophobicContact CD2-CD1 4.29Å
350T95.3Very high97.6Very high102 Ų10231 Ų3163%0.62620%0.2SC*.  trans-101.9-9-176.260.10000112.7S352 E353T350-S352 VanDerWaalsContact C-N 3.3Å; T350-S352 PolarHBondContact OG1-N 3Å; T350-S352 PolarHBondContact OG1-OG 3Å; T350-E353 VanDerWaalsContact N-CD 3.29Å; T350-E353 PolarHBondContact N-OE1 3.47Å; T350-E353 PolarHBondContact N-OE2 3.29Å; T350-E353 PolarHBondContact OG1-OE1 3.03Å
351G93.6Very high97.6Very high56 Ų5631.7 Ų31.758%0.57720%0.202SC*.SBendtrans860.9-171.500000113.3E353 R415G351-E353 PolarHBondContact N-OE2 3.05Å; G351-R415 WeakPolarHBondContact O-CD 3.19Å
352S95.1Very high97.7Very high22 Ų2226.8 Ų26.815%0.15418%0.18CC..  trans-95.1-3.7174.167.50000113.3Q282 Q283 T350Q282-S352 WeakPolarHBondContact CG-O 3.42Å; Q282-S352 PolarHBondContact NE2-OG 3.08Å; Q283-S352 PolarHBondContact N-O 2.73Å; T350-S352 VanDerWaalsContact C-N 3.3Å; T350-S352 PolarHBondContact OG1-N 3Å; T350-S352 PolarHBondContact OG1-OG 3Å
353E97Very high97.7Very high5 Ų526.7 Ų26.72%0.02318%0.18CC..EExtended strand (participates in β ladder)trans-74.4131178.5-63.881.1-158.100110.9L280 Q282 L349 T350 G351 L414 R415L280-E353 HydrophobicContact CD1-CB 3.77Å; L280-E353 HydrophobicContact CD1-CG 3.84Å; L280-E353 HydrophobicContact CD2-CG 3.93Å; L280-E353 HydrophobicContact CG-CG 4.42Å; Q282-E353 HydrophobicContact CG-CG 4.36Å; L349-E353 HydrophobicContact CD2-CB 4.4Å; L349-E353 HydrophobicContact CD2-CG 3.78Å; T350-E353 VanDerWaalsContact N-CD 3.29Å; T350-E353 PolarHBondContact N-OE1 3.47Å; T350-E353 PolarHBondContact N-OE2 3.29Å; T350-E353 PolarHBondContact OG1-OE1 3.03Å; G351-E353 PolarHBondContact N-OE2 3.05Å; E353-L414 HydrophobicContact CB-CB 4.33Å; E353-L414 HydrophobicContact CB-CD1 3.51Å; E353-L414 HydrophobicContact CG-CD1 4.4Å; E353-L414 WeakPolarHBondContact O-CB 3.28Å; E353-R415 WeakPolarHBondContact O-CD 3.37Å; E353-R415 VanDerWaalsContact O-CG 3.23Å; E353-R415 WeakPolarHBondContact O-CG 3.23Å
354D97.5Very high97.7Very high5 Ų525.7 Ų25.73%0.02717%0.174CC..EExtended strand (participates in β ladder)trans-86.5-56.1-174.1-58.9-30.4000110.7V281 Q283 G284 L414 R415 L420V281-D354 HydrophobicContact CG1-CB 4.38Å; V281-D354 PolarHBondContact O-N 2.9Å; Q283-D354 WeakPolarHBondContact CA-OD2 3.35Å; Q283-D354 PolarHBondContact N-OD2 3.17Å; G284-D354 PolarHBondContact N-OD2 3.2Å; D354-L414 PolarHBondContact O-N 3.05Å; D354-R415 PolarHBondContact O-N 2.68Å; D354-R415 VanDerWaalsContact O-N 3.15Å; D354-R415 IonicContact OD1-NH1 3.07Å; D354-L420 HydrophobicContact CB-CD1 4.02Å; D354-L420 HydrophobicContact CB-CD2 3.62Å; D354-L420 HydrophobicContact CB-CG 4.49Å; D354-L420 VanDerWaalsContact OD1-CD2 3.26Å; D354-L420 WeakPolarHBondContact OD1-CD2 3.35Å
355Y98.4Very high97.6Very high0 Ų028.9 Ų28.90%019%0.186CC..EExtended strand (participates in β ladder)trans-160.6158.3179.954.1-93.4000112.4V281 V372 V376 V411 V412 F413 L420V281-Y355 HydrophobicContact CB-CD1 4.37Å; V281-Y355 HydrophobicContact CB-CD2 4.08Å; V281-Y355 HydrophobicContact CB-CE1 3.99Å; V281-Y355 HydrophobicContact CB-CE2 3.68Å; V281-Y355 HydrophobicContact CB-CG 4.41Å; V281-Y355 HydrophobicContact CG1-CE1 3.99Å; V281-Y355 HydrophobicContact CG1-CE2 4.39Å; V281-Y355 HydrophobicContact CG2-CD2 4.08Å; V281-Y355 HydrophobicContact CG2-CE1 4.43Å; V281-Y355 HydrophobicContact CG2-CE2 3.36Å; V281-Y355 PolarHBondContact N-O 3.5Å; V281-Y355 PolarHBondContact O-N 3.03Å; Y355-V372 HydrophobicContact CE2-CG1 4.42Å; Y355-V376 HydrophobicContact CD1-CG1 4.49Å; Y355-V376 HydrophobicContact CE1-CB 4.38Å; Y355-V376 HydrophobicContact CE1-CG1 3.81Å; Y355-V376 HydrophobicContact CE2-CG2 4.15Å; Y355-V411 HydrophobicContact CD2-CG1 3.98Å; Y355-V411 HydrophobicContact CG-CG1 4.14Å; Y355-V412 CarbonylContact C-O 3.58Å; Y355-V412 WeakPolarHBondContact CA-O 3.2Å; Y355-V412 VanDerWaalsContact CB-O 3.31Å; Y355-V412 WeakPolarHBondContact CB-O 3.34Å; Y355-F413 HydrophobicContact CD1-CD1 4.33Å; Y355-F413 HydrophobicContact CD1-CE1 4.06Å; Y355-F413 HydrophobicContact CG-CE1 4.44Å; Y355-L420 HydrophobicContact CD1-CD1 4.01Å; Y355-L420 HydrophobicContact CE1-CD1 4.41Å
356L98.4Very high97.6Very high0 Ų029 Ų290%018%0.183CC..EExtended strand (participates in β ladder)trans-98.4144164.8-60.2169.5000109.4A261 I263 L268 I279 L280 L289 L358 V411 V412 L414A261-L356 HydrophobicContact CB-CD1 4.27Å; I263-L356 HydrophobicContact CD1-CD1 4.07Å; I263-L356 HydrophobicContact CG1-CD1 4.45Å; L268-L356 HydrophobicContact CD1-CD1 3.75Å; L268-L356 HydrophobicContact CD2-CD1 4.25Å; L268-L356 HydrophobicContact CD2-CD2 3.59Å; I279-L356 WeakPolarHBondContact O-CA 3.31Å; L280-L356 HydrophobicContact CB-CD2 3.85Å; L280-L356 HydrophobicContact CD1-CD2 3.68Å; L280-L356 HydrophobicContact CG-CD2 4.34Å; L289-L356 HydrophobicContact CD1-CD2 4.3Å; L356-L358 HydrophobicContact CB-CD1 4.29Å; L356-V411 CarbonylContact O-C 3.6Å; L356-V411 WeakPolarHBondContact O-CA 3.37Å; L356-V412 HydrophobicContact CB-CB 4.31Å; L356-V412 PolarHBondContact N-O 3.06Å; L356-V412 PolarHBondContact O-N 3.49Å; L356-L414 HydrophobicContact CD1-CD1 4.47Å; L356-L414 HydrophobicContact CD1-CD2 4.31Å; L356-L414 HydrophobicContact CD2-CD1 4.35Å; L356-L414 HydrophobicContact CG-CD1 3.96Å; L356-L414 HydrophobicContact CG-CD2 4.4Å; L356-L414 HydrophobicContact CG-CG 4.35Å
357L98.8Very high97.6Very high0 Ų025.8 Ų25.80%016%0.16CC..EExtended strand (participates in β ladder)trans-124123.5167.8-175157.5000109.6V278 I279 A359 F363 F364 V372 L394 V409 M410 V411V278-L357 CarbonylContact C-O 3.15Å; V278-L357 VanDerWaalsContact CA-O 3.3Å; V278-L357 WeakPolarHBondContact CA-O 3.29Å; I279-L357 HydrophobicContact CD1-CB 4.42Å; I279-L357 HydrophobicContact CG1-CB 3.87Å; I279-L357 PolarHBondContact N-O 3.3Å; I279-L357 PolarHBondContact O-N 3.28Å; L357-A359 HydrophobicContact CD2-CB 3.87Å; L357-F363 HydrophobicContact CD1-CE1 4.31Å; L357-F363 HydrophobicContact CD2-CD1 4.39Å; L357-F363 HydrophobicContact CD2-CE1 4.09Å; L357-F364 HydrophobicContact CD2-CE1 3.97Å; L357-F364 HydrophobicContact CD2-CE2 3.97Å; L357-F364 HydrophobicContact CD2-CZ 3.3Å; L357-V372 HydrophobicContact CD1-CG1 3.55Å; L357-L394 HydrophobicContact CD1-CD1 3.6Å; L357-V409 HydrophobicContact CD1-CG1 4.09Å; L357-V409 HydrophobicContact CD2-CG1 4.44Å; L357-V409 HydrophobicContact CG-CG1 4.18Å; L357-M410 CarbonylContact C-O 3.5Å; L357-M410 VanDerWaalsContact CA-O 3.29Å; L357-M410 WeakPolarHBondContact CA-O 3.5Å; L357-V411 HydrophobicContact CD1-CG2 4.11Å; L357-V411 HydrophobicContact CG-CG2 4.3Å
358L98.9Very high97.5Very high0 Ų024.8 Ų24.80%017%0.165CC..EExtended strand (participates in β ladder)trans-111.2132.4171.2-64.279.4000108.2F195 V197 V259 A261 Q277 V278 L356 M410F195-L358 HydrophobicContact CB-CD2 4.42Å; V197-L358 HydrophobicContact CG2-CB 3.84Å; V259-L358 HydrophobicContact CG1-CB 4.46Å; V259-L358 HydrophobicContact CG1-CD2 4.37Å; A261-L358 HydrophobicContact CB-CD1 4.43Å; A261-L358 HydrophobicContact CB-CD2 4.33Å; Q277-L358 WeakPolarHBondContact O-CA 3.44Å; V278-L358 HydrophobicContact CB-CG 4.08Å; V278-L358 HydrophobicContact CG2-CD1 3.99Å; V278-L358 HydrophobicContact CG2-CG 3.81Å; L356-L358 HydrophobicContact CB-CD1 4.29Å; L358-M410 HydrophobicContact CB-CB 4.42Å; L358-M410 PolarHBondContact N-O 3.47Å; L358-M410 PolarHBondContact O-N 3Å
359A98.8Very high97.4Very high0 Ų024.2 Ų24.20%015%0.151CC..EExtended strand (participates in β ladder)trans-155.7158.2175.500000112.7Q277 L357 F363 F364 T408 V409Q277-A359 PolarHBondContact N-O 2.9Å; Q277-A359 PolarHBondContact O-N 3.43Å; L357-A359 HydrophobicContact CD2-CB 3.87Å; A359-F363 HydrophobicContact CB-CB 3.87Å; A359-F363 HydrophobicContact CB-CD1 3.79Å; A359-F363 HydrophobicContact CB-CG 4.08Å; A359-F364 HydrophobicContact CB-CD2 3.87Å; A359-F364 HydrophobicContact CB-CE2 3.54Å; A359-F364 HydrophobicContact CB-CZ 4.25Å; A359-T408 WeakPolarHBondContact CA-O 3.02Å; A359-T408 WeakPolarHBondContact CB-O 3.32Å; A359-V409 HydrophobicContact CB-CB 4.46Å; A359-V409 HydrophobicContact CB-CG2 4.03Å
360C98.7Very high97.3Very high0 Ų028.9 Ų28.90%017%0.172CC..  trans-76174.717161.60000112.2D172 V197 D199 G362 F363 F364 T408D172-C360 PolarHBondContact OD2-SG 3.4Å; V197-C360 HydrophobicContact CG1-CB 4.33Å; D199-C360 HydrophobicContact CB-CB 3.95Å; D199-C360 WeakPolarHBondContact OD2-CB 3.48Å; C360-G362 VanDerWaalsContact C-N 3.25Å; C360-G362 PolarHBondContact O-N 2.93Å; C360-F363 PolarHBondContact O-N 3.46Å; C360-F364 PolarHBondContact O-N 3.05Å; C360-T408 PolarHBondContact N-O 3.45Å; C360-T408 PolarHBondContact SG-N 2.95Å
361D97.8Very high97.4Very high25 Ų2527.9 Ų27.913%0.13416%0.16CC..Hα-helixtrans-63.6-31.2179.869.7-8.4000112.2D199 F363 F364 D365D199-D361 VanDerWaalsContact OD2-OD1 3.05Å; D361-F363 CarbonylContact O-C 3.57Å; D361-F363 PolarHBondContact O-N 2.9Å; D361-F364 PolarHBondContact O-N 3.32Å; D361-D365 VanDerWaalsContact O-CB 3.29Å; D361-D365 WeakPolarHBondContact O-CB 3.32Å; D361-D365 PolarHBondContact O-N 3.43Å
362G98.2Very high97.6Very high3 Ų325.2 Ų25.23%0.03113%0.133CC..Hα-helixtrans-56.3-19.5175.600000114.3C360 S403 N406C360-G362 VanDerWaalsContact C-N 3.25Å; C360-G362 PolarHBondContact O-N 2.93Å; G362-S403 VanDerWaalsContact O-CB 3.24Å; G362-S403 WeakPolarHBondContact O-CB 3.37Å; G362-S403 PolarHBondContact O-OG 3.23Å; G362-N406 WeakPolarHBondContact CA-O 3.34Å
363F98.7Very high97.6Very high0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-94.7-56.1166178.5-102.4000112.2L357 A359 C360 D361 D365 V366 V367 V372 L394 A398 I407 V409L357-F363 HydrophobicContact CD1-CE1 4.31Å; L357-F363 HydrophobicContact CD2-CD1 4.39Å; L357-F363 HydrophobicContact CD2-CE1 4.09Å; A359-F363 HydrophobicContact CB-CB 3.87Å; A359-F363 HydrophobicContact CB-CD1 3.79Å; A359-F363 HydrophobicContact CB-CG 4.08Å; C360-F363 PolarHBondContact O-N 3.46Å; D361-F363 CarbonylContact O-C 3.57Å; D361-F363 PolarHBondContact O-N 2.9Å; F363-D365 VanDerWaalsContact C-N 3.31Å; F363-D365 PolarHBondContact O-N 2.98Å; F363-V366 WeakPolarHBondContact O-CG2 3.45Å; F363-V366 PolarHBondContact O-N 2.88Å; F363-V367 HydrophobicContact CD1-CB 4.49Å; F363-V367 HydrophobicContact CD2-CB 4.31Å; F363-V367 HydrophobicContact CD2-CG2 4Å; F363-V367 HydrophobicContact CE1-CB 4.05Å; F363-V367 HydrophobicContact CE1-CG1 4.19Å; F363-V367 HydrophobicContact CE2-CB 3.81Å; F363-V367 HydrophobicContact CE2-CG1 4.05Å; F363-V367 HydrophobicContact CE2-CG2 3.6Å; F363-V367 HydrophobicContact CZ-CB 3.68Å; F363-V367 HydrophobicContact CZ-CG1 3.61Å; F363-V367 HydrophobicContact CZ-CG2 4.01Å; F363-V367 PolarHBondContact O-N 2.81Å; F363-V372 HydrophobicContact CE1-CG2 3.97Å; F363-V372 HydrophobicContact CZ-CG2 4.04Å; F363-L394 HydrophobicContact CE2-CB 3.74Å; F363-L394 HydrophobicContact CE2-CD2 4.37Å; F363-L394 WeakPolarHBondContact CE2-O 3.1Å; F363-L394 HydrophobicContact CZ-CB 4.21Å; F363-L394 HydrophobicContact CZ-CD2 4.17Å; F363-A398 HydrophobicContact CD2-CB 3.83Å; F363-A398 HydrophobicContact CE2-CB 4.47Å; F363-I407 HydrophobicContact CB-CG2 4Å; F363-V409 HydrophobicContact CB-CG2 3.89Å; F363-V409 HydrophobicContact CD1-CG2 4.35Å; F363-V409 HydrophobicContact CD2-CG2 3.58Å; F363-V409 HydrophobicContact CE2-CG2 4.22Å; F363-V409 HydrophobicContact CG-CG2 3.68Å
364F98Very high97.6Very high14 Ų1426.7 Ų26.76%0.06115%0.149CC..Hα-helixtrans-71.8-18.9-168.4-77.4-59.4000115.3Q277 I279 L357 A359 C360 D361 V366 H369Q277-F364 HydrophobicContact CB-CD2 3.67Å; Q277-F364 HydrophobicContact CB-CE2 3.53Å; Q277-F364 HydrophobicContact CB-CG 4.42Å; Q277-F364 HydrophobicContact CB-CZ 4.19Å; Q277-F364 HydrophobicContact CG-CD2 3.89Å; Q277-F364 HydrophobicContact CG-CE2 4.29Å; Q277-F364 HydrophobicContact CG-CG 4.4Å; Q277-F364 WeakPolarHBondContact O-CE2 3.22Å; I279-F364 HydrophobicContact CD1-CE1 4.37Å; I279-F364 HydrophobicContact CG1-CZ 4.43Å; I279-F364 HydrophobicContact CG2-CE1 4.43Å; I279-F364 HydrophobicContact CG2-CZ 4.35Å; L357-F364 HydrophobicContact CD2-CE1 3.97Å; L357-F364 HydrophobicContact CD2-CE2 3.97Å; L357-F364 HydrophobicContact CD2-CZ 3.3Å; A359-F364 HydrophobicContact CB-CD2 3.87Å; A359-F364 HydrophobicContact CB-CE2 3.54Å; A359-F364 HydrophobicContact CB-CZ 4.25Å; C360-F364 PolarHBondContact O-N 3.05Å; D361-F364 PolarHBondContact O-N 3.32Å; F364-V366 VanDerWaalsContact C-N 3.27Å; F364-V366 PolarHBondContact O-N 2.84Å; F364-H369 AromaticContact CD1-CD2 3.38Å; F364-H369 WeakPolarHBondContact CD1-CD2 3.45Å; F364-H369 AromaticContact CD1-NE2 3.5Å; F364-H369 WeakPolarHBondContact CD1-NE2 3.28Å; F364-H369 AromaticContact CE1-CD2 3.36Å; F364-H369 WeakPolarHBondContact CE1-CD2 3.33Å; F364-H369 AromaticContact CE1-NE2 3.61Å
365D96.6Very high97.6Very high98 Ų9828 Ų2852%0.52416%0.156SC..THydrogen-bonded Turntrans-72.5-21.8174.6-82.1-6.8000112.8R294 D361 F363R294-D365 IonicContact CZ-OD1 3.49Å; R294-D365 IonicContact NH2-OD1 3.08Å; R294-D365 PolarHBondContact NH2-OD1 2.71Å; D361-D365 VanDerWaalsContact O-CB 3.29Å; D361-D365 WeakPolarHBondContact O-CB 3.32Å; D361-D365 PolarHBondContact O-N 3.43Å; F363-D365 VanDerWaalsContact C-N 3.31Å; F363-D365 PolarHBondContact O-N 2.98Å
366V98.1Very high97.6Very high38 Ų3828 Ų2823%0.2316%0.156CC..THydrogen-bonded Turntrans-117.3-17.1-178.8-590000113.9F363 F364 A398 R401F363-V366 WeakPolarHBondContact O-CG2 3.45Å; F363-V366 PolarHBondContact O-N 2.88Å; F364-V366 VanDerWaalsContact C-N 3.27Å; F364-V366 PolarHBondContact O-N 2.84Å; V366-A398 HydrophobicContact CG2-CB 3.72Å; V366-R401 HydrophobicContact CB-CB 4.02Å; V366-R401 HydrophobicContact CG2-CB 4.27Å; V366-R401 WeakPolarHBondContact O-CD 3.22Å
367V98.1Very high97.5Very high0 Ų029.6 Ų29.60%016%0.163CC..SBendtrans-116.3106.4176-173.60000110.4F363 E371 V372 L375 A398F363-V367 HydrophobicContact CD1-CB 4.49Å; F363-V367 HydrophobicContact CD2-CB 4.31Å; F363-V367 HydrophobicContact CD2-CG2 4Å; F363-V367 HydrophobicContact CE1-CB 4.05Å; F363-V367 HydrophobicContact CE1-CG1 4.19Å; F363-V367 HydrophobicContact CE2-CB 3.81Å; F363-V367 HydrophobicContact CE2-CG1 4.05Å; F363-V367 HydrophobicContact CE2-CG2 3.6Å; F363-V367 HydrophobicContact CZ-CB 3.68Å; F363-V367 HydrophobicContact CZ-CG1 3.61Å; F363-V367 HydrophobicContact CZ-CG2 4.01Å; F363-V367 PolarHBondContact O-N 2.81Å; V367-E371 HydrophobicContact CG1-CB 4.5Å; V367-V372 HydrophobicContact CG1-CG2 4.18Å; V367-L375 HydrophobicContact CG1-CD1 3.93Å; V367-A398 HydrophobicContact CG2-CB 4.07Å
368P96.6Very high97.4Very high64 Ų6432.5 Ų32.542%0.41618%0.184SC..  trans-63.2146.2175-23.334.8000112.3Q370 E371P368-Q370 PolarHBondContact O-N 3.38Å; P368-Q370 VanDerWaalsContact O-N 3.11Å; P368-E371 HydrophobicContact CB-CG 4.39Å; P368-E371 WeakPolarHBondContact CD-OE1 3.38Å; P368-E371 HydrophobicContact CG-CG 4.49Å; P368-E371 WeakPolarHBondContact CG-OE1 3.25Å; P368-E371 PolarHBondContact O-N 3.06Å
369H96.9Very high97.3Very high53 Ų5332.8 Ų32.825%0.24519%0.185CC..Hα-helixtrans-53.2-40.4-176.5-60168.3000113.6Q277 I279 V286 F364 E371 V372Q277-H369 PolarHBondContact OE1-CE1 2.96Å; Q277-H369 VanDerWaalsContact OE1-CE1 3.23Å; Q277-H369 PolarHBondContact OE1-NE2 2.93Å; Q277-H369 VanDerWaalsContact OE1-NE2 3.15Å; I279-H369 HydrophobicContact CD1-CB 4.38Å; V286-H369 HydrophobicContact CG1-CB 3.92Å; V286-H369 HydrophobicContact CG2-CB 4.35Å; V286-H369 VanDerWaalsContact CG2-O 3.29Å; V286-H369 WeakPolarHBondContact CG2-O 3.35Å; F364-H369 AromaticContact CD1-CD2 3.38Å; F364-H369 WeakPolarHBondContact CD1-CD2 3.45Å; F364-H369 AromaticContact CD1-NE2 3.5Å; F364-H369 WeakPolarHBondContact CD1-NE2 3.28Å; F364-H369 AromaticContact CE1-CD2 3.36Å; F364-H369 WeakPolarHBondContact CE1-CD2 3.33Å; F364-H369 AromaticContact CE1-NE2 3.61Å; H369-E371 VanDerWaalsContact C-N 3.26Å; H369-E371 PolarHBondContact O-N 3.5Å; H369-V372 VanDerWaalsContact O-CB 3.3Å; H369-V372 WeakPolarHBondContact O-CB 3.38Å; H369-V372 WeakPolarHBondContact O-CG2 3.34Å; H369-V372 PolarHBondContact O-N 2.98Å
370Q94.5Very high97.2Very high122 Ų12232.8 Ų32.857%0.5719%0.185SC*.Hα-helixtrans-66.3-28-178.1-61.3-59.3-28.400112.9P368P368-Q370 PolarHBondContact O-N 3.38Å; P368-Q370 VanDerWaalsContact O-N 3.11Å
371E96.2Very high97.1Very high80 Ų8038.7 Ų38.737%0.37421%0.214SC..Hα-helixtrans-78.4-22.8180-63.8-171.1-135.700112.6V367 P368 H369 V373 G374 L375 R401V367-E371 HydrophobicContact CG1-CB 4.5Å; P368-E371 HydrophobicContact CB-CG 4.39Å; P368-E371 WeakPolarHBondContact CD-OE1 3.38Å; P368-E371 HydrophobicContact CG-CG 4.49Å; P368-E371 WeakPolarHBondContact CG-OE1 3.25Å; P368-E371 PolarHBondContact O-N 3.06Å; H369-E371 VanDerWaalsContact C-N 3.26Å; H369-E371 PolarHBondContact O-N 3.5Å; E371-V373 PolarHBondContact O-N 3.44Å; E371-G374 PolarHBondContact O-N 3.32Å; E371-G374 VanDerWaalsContact O-N 3.14Å; E371-L375 PolarHBondContact O-N 2.78Å; E371-L375 VanDerWaalsContact O-N 3.11Å; E371-R401 IonicContact OE1-NH1 2.8Å; E371-R401 IonicContact OE2-CZ 3.04Å; E371-R401 IonicContact OE2-NH1 3.55Å; E371-R401 PolarHBondContact OE2-NH1 3.01Å; E371-R401 IonicContact OE2-NH2 3.28Å; E371-R401 PolarHBondContact OE2-NH2 3.35Å
372V97.4Very high97Very high0 Ų043.3 Ų43.30%023%0.23CC..Hα-helixtrans-52.9-44.7175.8175.30000111I279 Y355 L357 F363 V367 H369 G374 L375 V376I279-V372 HydrophobicContact CD1-CB 4.24Å; I279-V372 HydrophobicContact CD1-CG1 4.22Å; I279-V372 HydrophobicContact CD1-CG2 4.08Å; Y355-V372 HydrophobicContact CE2-CG1 4.42Å; L357-V372 HydrophobicContact CD1-CG1 3.55Å; F363-V372 HydrophobicContact CE1-CG2 3.97Å; F363-V372 HydrophobicContact CZ-CG2 4.04Å; V367-V372 HydrophobicContact CG1-CG2 4.18Å; H369-V372 VanDerWaalsContact O-CB 3.3Å; H369-V372 WeakPolarHBondContact O-CB 3.38Å; H369-V372 WeakPolarHBondContact O-CG2 3.34Å; H369-V372 PolarHBondContact O-N 2.98Å; V372-G374 VanDerWaalsContact C-N 3.3Å; V372-G374 PolarHBondContact O-N 3.38Å; V372-L375 PolarHBondContact O-N 3.07Å; V372-V376 HydrophobicContact CG1-CG2 4.12Å; V372-V376 WeakPolarHBondContact O-CG2 3.3Å; V372-V376 PolarHBondContact O-N 3.34Å
373V97.1Very high96.9Very high20 Ų2047.8 Ų47.812%0.12125%0.25CC..Hα-helixtrans-57.9-45.9-177.9-177.70000110.7V281 G284 V286 E371 Q377V281-V373 HydrophobicContact CG1-CG2 4.06Å; V281-V373 HydrophobicContact CG2-CG2 4.13Å; G284-V373 WeakPolarHBondContact O-CG1 3.38Å; V286-V373 HydrophobicContact CG2-CG2 3.85Å; E371-V373 PolarHBondContact O-N 3.44Å; V373-Q377 HydrophobicContact CG1-CG 4.35Å; V373-Q377 VanDerWaalsContact O-CB 3.29Å; V373-Q377 WeakPolarHBondContact O-CB 3.31Å; V373-Q377 WeakPolarHBondContact O-CG 3.43Å; V373-Q377 PolarHBondContact O-N 3.07Å
374G96.7Very high96.6Very high39 Ų3955.9 Ų55.940%0.40229%0.287SS..Hα-helixtrans-64.9-40.417900000112.9E371 V372 S378E371-G374 PolarHBondContact O-N 3.32Å; E371-G374 VanDerWaalsContact O-N 3.14Å; V372-G374 VanDerWaalsContact C-N 3.3Å; V372-G374 PolarHBondContact O-N 3.38Å; G374-S378 VanDerWaalsContact O-CB 3.24Å; G374-S378 WeakPolarHBondContact O-CB 3.44Å; G374-S378 PolarHBondContact O-N 2.92Å; G374-S378 PolarHBondContact O-OG 3.1Å
375L97.9Very high96.3Very high31 Ų3155.4 Ų55.416%0.16229%0.287CS..Hα-helixtrans-65.4-47.8178.3-67.7171.8000111.7V367 E371 V372 S378 H379 L394 A397V367-L375 HydrophobicContact CG1-CD1 3.93Å; E371-L375 PolarHBondContact O-N 2.78Å; E371-L375 VanDerWaalsContact O-N 3.11Å; V372-L375 PolarHBondContact O-N 3.07Å; L375-S378 PolarHBondContact O-N 3.02Å; L375-H379 PolarHBondContact O-N 3.44Å; L375-L394 HydrophobicContact CB-CD2 3.58Å; L375-L394 HydrophobicContact CD1-CD2 3.81Å; L375-L394 HydrophobicContact CG-CD2 4.35Å; L375-A397 HydrophobicContact CD1-CB 3.89Å; L375-A397 HydrophobicContact CD2-CB 4.13Å
376V97.8Very high96.3Very high0 Ų052.9 Ų52.90%028%0.277CS..Hα-helixtrans-62.2-48.4177.5176.40000110.3Y355 V372 S378 H379 L380 V390 L394 F413Y355-V376 HydrophobicContact CD1-CG1 4.49Å; Y355-V376 HydrophobicContact CE1-CB 4.38Å; Y355-V376 HydrophobicContact CE1-CG1 3.81Å; Y355-V376 HydrophobicContact CE2-CG2 4.15Å; V372-V376 HydrophobicContact CG1-CG2 4.12Å; V372-V376 WeakPolarHBondContact O-CG2 3.3Å; V372-V376 PolarHBondContact O-N 3.34Å; V376-S378 VanDerWaalsContact C-N 3.33Å; V376-S378 PolarHBondContact O-N 3.42Å; V376-H379 WeakPolarHBondContact O-CB 3.32Å; V376-H379 PolarHBondContact O-N 2.94Å; V376-H379 VanDerWaalsContact O-N 3.16Å; V376-L380 HydrophobicContact CG1-CD1 4.12Å; V376-L380 HydrophobicContact CG1-CG 4.28Å; V376-L380 WeakPolarHBondContact O-CG 3.37Å; V376-L380 PolarHBondContact O-N 3.43Å; V376-V390 HydrophobicContact CB-CG1 4.36Å; V376-V390 HydrophobicContact CG1-CG1 4.12Å; V376-V390 HydrophobicContact CG2-CG1 3.79Å; V376-L394 HydrophobicContact CG2-CD1 4.17Å; V376-L394 HydrophobicContact CG2-CD2 4.3Å; V376-F413 HydrophobicContact CG1-CZ 4.39Å
377Q96.1Very high96.1Very high34 Ų3451.1 Ų51.116%0.15927%0.266CS..Hα-helixtrans-59.4-43.8178.1-75.1-68.8-12.600112V373 H379 L380 M381 L420V373-Q377 HydrophobicContact CG1-CG 4.35Å; V373-Q377 VanDerWaalsContact O-CB 3.29Å; V373-Q377 WeakPolarHBondContact O-CB 3.31Å; V373-Q377 WeakPolarHBondContact O-CG 3.43Å; V373-Q377 PolarHBondContact O-N 3.07Å; Q377-H379 VanDerWaalsContact C-N 3.3Å; Q377-H379 PolarHBondContact O-N 3.4Å; Q377-L380 PolarHBondContact O-N 3.02Å; Q377-M381 VanDerWaalsContact O-CG 3.31Å; Q377-M381 WeakPolarHBondContact O-CG 3.46Å; Q377-M381 PolarHBondContact O-N 3.43Å; Q377-L420 PolarHBondContact NE2-O 3.24Å
378S96.3Very high95.9Very high61 Ų6155.3 Ų55.343%0.42729%0.288SS..Hα-helixtrans-62.3-37.2177.2-60.90000112.4G374 L375 V376 R382G374-S378 VanDerWaalsContact O-CB 3.24Å; G374-S378 WeakPolarHBondContact O-CB 3.44Å; G374-S378 PolarHBondContact O-N 2.92Å; G374-S378 PolarHBondContact O-OG 3.1Å; L375-S378 PolarHBondContact O-N 3.02Å; V376-S378 VanDerWaalsContact C-N 3.33Å; V376-S378 PolarHBondContact O-N 3.42Å; S378-R382 WeakPolarHBondContact O-CG 3.4Å; S378-R382 PolarHBondContact O-N 3.36Å; S378-R382 PolarHBondContact O-NE 2.9Å
379H97.3Very high96Very high6 Ų657.9 Ų57.93%0.02830%0.295CS..Hα-helixtrans-65.8-51.2173.4-178.792.8000111.8L375 V376 Q377 M381 R382 Q383 L388 H389 V390 E393L375-H379 PolarHBondContact O-N 3.44Å; V376-H379 WeakPolarHBondContact O-CB 3.32Å; V376-H379 PolarHBondContact O-N 2.94Å; V376-H379 VanDerWaalsContact O-N 3.16Å; Q377-H379 VanDerWaalsContact C-N 3.3Å; Q377-H379 PolarHBondContact O-N 3.4Å; H379-M381 VanDerWaalsContact C-N 3.26Å; H379-M381 PolarHBondContact O-N 2.7Å; H379-R382 PolarHBondContact O-N 3.1Å; H379-R382 VanDerWaalsContact O-N 3.13Å; H379-Q383 WeakPolarHBondContact O-CB 3.44Å; H379-Q383 WeakPolarHBondContact O-CG 3.38Å; H379-Q383 PolarHBondContact O-N 2.87Å; H379-L388 PolarHBondContact NE2-O 2.76Å; H379-H389 PolarHBondContact CE1-O 3.43Å; H379-H389 VanDerWaalsContact CE1-O 3.25Å; H379-V390 WeakPolarHBondContact CD2-CG2 3.18Å; H379-E393 HydrophobicContact CB-CG 4.35Å; H379-E393 IonicContact ND1-OE2 2.61Å
380L96.7Very high96Very high0 Ų055.4 Ų55.40%028%0.283CS..Hα-helixtrans-57-42.2179.7-65.5-178.8000111V376 Q377 Q383 Q384 G385 S386 V390 F413 P417 L420 L421V376-L380 HydrophobicContact CG1-CD1 4.12Å; V376-L380 HydrophobicContact CG1-CG 4.28Å; V376-L380 WeakPolarHBondContact O-CG 3.37Å; V376-L380 PolarHBondContact O-N 3.43Å; Q377-L380 PolarHBondContact O-N 3.02Å; L380-Q383 CarbonylContact O-C 3.6Å; L380-Q383 PolarHBondContact O-N 3.24Å; L380-Q384 PolarHBondContact O-N 3.15Å; L380-G385 PolarHBondContact O-N 2.88Å; L380-S386 WeakPolarHBondContact CD2-O 3.49Å; L380-V390 HydrophobicContact CD2-CG2 4.31Å; L380-F413 HydrophobicContact CD1-CE1 4.44Å; L380-F413 HydrophobicContact CD2-CZ 4.34Å; L380-P417 HydrophobicContact CD1-CB 4.09Å; L380-P417 HydrophobicContact CD2-CB 3.61Å; L380-L420 HydrophobicContact CD1-CB 4.11Å; L380-L420 HydrophobicContact CD1-CD1 4.16Å; L380-L421 HydrophobicContact CB-CD1 4.41Å; L380-L421 HydrophobicContact CB-CD2 3.7Å; L380-L421 HydrophobicContact CB-CG 4.08Å
381M95.8Very high96.2Very high124 Ų12449.6 Ų49.661%0.61126%0.256SS*.Hα-helixtrans-61.7-47.2177.1-73178.5-17700112Q377 H379 Q383 Q384 L421Q377-M381 VanDerWaalsContact O-CG 3.31Å; Q377-M381 WeakPolarHBondContact O-CG 3.46Å; Q377-M381 PolarHBondContact O-N 3.43Å; H379-M381 VanDerWaalsContact C-N 3.26Å; H379-M381 PolarHBondContact O-N 2.7Å; M381-Q383 VanDerWaalsContact C-N 3.31Å; M381-Q383 PolarHBondContact O-N 3.31Å; M381-Q384 PolarHBondContact O-N 3.15Å; M381-L421 HydrophobicContact CB-CD2 4.38Å; M381-L421 HydrophobicContact CG-CD2 3.57Å
382R96.3Very high96.3Very high123 Ų12348.6 Ų48.646%0.46425%0.251SS..Hα-helixtrans-65.2-35.2178.6-75.3-179-66.8120-2112.6S378 H379 E393S378-R382 WeakPolarHBondContact O-CG 3.4Å; S378-R382 PolarHBondContact O-N 3.36Å; S378-R382 PolarHBondContact O-NE 2.9Å; H379-R382 PolarHBondContact O-N 3.1Å; H379-R382 VanDerWaalsContact O-N 3.13Å; R382-E393 IonicContact CZ-OE1 3.28Å; R382-E393 IonicContact CZ-OE2 3.53Å; R382-E393 IonicContact NH1-OE2 3.4Å; R382-E393 PolarHBondContact NH1-OE2 3.35Å; R382-E393 VanDerWaalsContact NH1-OE2 3.08Å; R382-E393 IonicContact NH2-OE1 3.14Å; R382-E393 PolarHBondContact NH2-OE1 3.42Å; R382-E393 VanDerWaalsContact NH2-OE1 3.07Å; R382-E393 IonicContact NH2-OE2 2.77Å; R382-E393 PolarHBondContact NH2-OE2 3.44Å
383Q95.6Very high96.4Very high97 Ų9751.4 Ų51.445%0.45326%0.264SS..THydrogen-bonded Turntrans-99.319.9-176.7-56.7-60.9-25.500113.3H379 L380 M381 G385 S386H379-Q383 WeakPolarHBondContact O-CB 3.44Å; H379-Q383 WeakPolarHBondContact O-CG 3.38Å; H379-Q383 PolarHBondContact O-N 2.87Å; L380-Q383 CarbonylContact O-C 3.6Å; L380-Q383 PolarHBondContact O-N 3.24Å; M381-Q383 VanDerWaalsContact C-N 3.31Å; M381-Q383 PolarHBondContact O-N 3.31Å; Q383-G385 VanDerWaalsContact C-N 3.28Å; Q383-G385 PolarHBondContact O-N 3.25Å; Q383-S386 VanDerWaalsContact O-CB 3.28Å; Q383-S386 WeakPolarHBondContact O-CB 3.45Å; Q383-S386 PolarHBondContact O-N 2.89Å
384Q93.1Very high96.4Very high169 Ų16950.4 Ų50.479%0.7926%0.258SS*.THydrogen-bonded Turntrans53.241.1174.2-57.2178.10.300113.8L380 M381L380-Q384 PolarHBondContact O-N 3.15Å; M381-Q384 PolarHBondContact O-N 3.15Å
385G92.4Very high96.5Very high5 Ų548.7 Ų48.75%0.05224%0.24CC..THydrogen-bonded Turntrans84.710.3178.400000114.2L380 Q383 G387 P417 L421L380-G385 PolarHBondContact O-N 2.88Å; Q383-G385 VanDerWaalsContact C-N 3.28Å; Q383-G385 PolarHBondContact O-N 3.25Å; G385-G387 PolarHBondContact O-N 3.21Å; G385-P417 WeakPolarHBondContact O-CB 3.37Å; G385-L421 VanDerWaalsContact N-CD1 3.3Å
386S95Very high96.6Very high44 Ų4449.1 Ų49.131%0.30825%0.245SC..  trans-77.4115.3172.7-176.30000111.2L380 Q383 L388L380-S386 WeakPolarHBondContact CD2-O 3.49Å; Q383-S386 VanDerWaalsContact O-CB 3.28Å; Q383-S386 WeakPolarHBondContact O-CB 3.45Å; Q383-S386 PolarHBondContact O-N 2.89Å; S386-L388 PolarHBondContact O-N 3.25Å; S386-L388 WeakPolarHBondContact OG-CB 3.5Å; S386-L388 PolarHBondContact OG-N 3.41Å
387G94.4Very high96.6Very high1 Ų149.4 Ų49.41%0.0125%0.248CC..  trans-76.4-0170.400000114.2G385 V390 F413G385-G387 PolarHBondContact O-N 3.21Å; G387-V390 VanDerWaalsContact O-CG2 3.29Å; G387-V390 WeakPolarHBondContact O-CG2 3.33Å; G387-F413 WeakPolarHBondContact O-CE2 3.28Å
388L94.7Very high96.7Very high88 Ų8847.8 Ų47.846%0.46124%0.241SC..THydrogen-bonded Turntrans-71.9144.8174-62.4174.8000110.4L157 H379 S386 V390L157-L388 HydrophobicContact CD1-CD2 3.8Å; L157-L388 HydrophobicContact CD1-CG 4.5Å; H379-L388 PolarHBondContact NE2-O 2.76Å; S386-L388 PolarHBondContact O-N 3.25Å; S386-L388 WeakPolarHBondContact OG-CB 3.5Å; S386-L388 PolarHBondContact OG-N 3.41Å; L388-V390 PolarHBondContact O-N 2.83Å
389H97Very high96.8Very high119 Ų11951.5 Ų51.555%0.55125%0.245SC*.THydrogen-bonded Turntrans62.218.8179.6-46.9117.1000116.5H379 A391 E392 E393H379-H389 PolarHBondContact CE1-O 3.43Å; H379-H389 VanDerWaalsContact CE1-O 3.25Å; H389-A391 VanDerWaalsContact C-N 3.33Å; H389-E392 WeakPolarHBondContact CA-OE2 3.3Å; H389-E392 HydrophobicContact CB-CB 4.3Å; H389-E392 HydrophobicContact CB-CG 4.27Å; H389-E392 IonicContact CD2-OE1 3.17Å; H389-E392 WeakPolarHBondContact O-CB 3.42Å; H389-E392 PolarHBondContact O-N 2.89Å; H389-E393 PolarHBondContact O-N 3.29Å
390V98.4Very high96.8Very high0 Ų058.4 Ų58.40%028%0.278CS..Hα-helixtrans-65.1-40.2175.8171.70000110.6S159 V376 H379 L380 G387 L388 E392 E393 L394 V411 F413S159-V390 PolarHBondContact OG-N 3.36Å; V376-V390 HydrophobicContact CB-CG1 4.36Å; V376-V390 HydrophobicContact CG1-CG1 4.12Å; V376-V390 HydrophobicContact CG2-CG1 3.79Å; H379-V390 WeakPolarHBondContact CD2-CG2 3.18Å; L380-V390 HydrophobicContact CD2-CG2 4.31Å; G387-V390 VanDerWaalsContact O-CG2 3.29Å; G387-V390 WeakPolarHBondContact O-CG2 3.33Å; L388-V390 PolarHBondContact O-N 2.83Å; V390-E392 VanDerWaalsContact C-N 3.31Å; V390-E392 PolarHBondContact O-N 2.92Å; V390-E393 WeakPolarHBondContact O-CB 3.25Å; V390-E393 PolarHBondContact O-N 3.48Å; V390-L394 HydrophobicContact CG1-CD1 3.96Å; V390-L394 HydrophobicContact CG1-CG 4.36Å; V390-L394 VanDerWaalsContact O-CG 3.31Å; V390-L394 WeakPolarHBondContact O-CG 3.49Å; V390-L394 PolarHBondContact O-N 2.92Å; V390-V411 HydrophobicContact CG1-CG2 4.03Å; V390-F413 HydrophobicContact CG2-CE2 4.24Å; V390-F413 HydrophobicContact CG2-CZ 4.01Å
391A98.6Very high96.9Very high0 Ų063.6 Ų63.60%030%0.297CS..Hα-helixtrans-63-37178.600000112.2S159 H161 H389 E393 L394 V395 V409S159-A391 WeakPolarHBondContact OG-CB 3.4Å; S159-A391 PolarHBondContact OG-N 2.79Å; H161-A391 HydrophobicContact CB-CB 3.67Å; H389-A391 VanDerWaalsContact C-N 3.33Å; A391-E393 PolarHBondContact O-N 3.22Å; A391-L394 PolarHBondContact O-N 2.95Å; A391-V395 WeakPolarHBondContact O-CB 3.37Å; A391-V395 VanDerWaalsContact O-CG2 3.28Å; A391-V395 WeakPolarHBondContact O-CG2 3.26Å; A391-V395 PolarHBondContact O-N 3.42Å; A391-V409 HydrophobicContact CB-CB 4.3Å; A391-V409 HydrophobicContact CB-CG1 4.27Å; A391-V409 WeakPolarHBondContact CB-O 3.1Å
392E98.6Very high97Very high59 Ų5959.4 Ų59.428%0.27629%0.286SS..Hα-helixtrans-58.6-46.3173.9-75.667.4-176.900111.5H161 H389 V390 V395 S396H161-E392 HydrophobicContact CB-CG 4.23Å; H161-E392 IonicContact CE1-OE1 3.51Å; H161-E392 IonicContact CG-OE1 3.89Å; H161-E392 VanDerWaalsContact ND1-CD 3.31Å; H161-E392 WeakPolarHBondContact ND1-CG 3.41Å; H161-E392 IonicContact ND1-OE1 3.39Å; H161-E392 PolarHBondContact ND1-OE1 3.39Å; H389-E392 WeakPolarHBondContact CA-OE2 3.3Å; H389-E392 HydrophobicContact CB-CB 4.3Å; H389-E392 HydrophobicContact CB-CG 4.27Å; H389-E392 IonicContact CD2-OE1 3.17Å; H389-E392 WeakPolarHBondContact O-CB 3.42Å; H389-E392 PolarHBondContact O-N 2.89Å; V390-E392 VanDerWaalsContact C-N 3.31Å; V390-E392 PolarHBondContact O-N 2.92Å; E392-V395 PolarHBondContact O-N 3.16Å; E392-S396 PolarHBondContact O-N 2.95Å
393E98.2Very high97Very high59 Ų5954 Ų5428%0.27627%0.267SS..Hα-helixtrans-62.2-45.1176.9-17875.2-158.400111H379 R382 H389 V390 A391 V395 S396 A397H379-E393 HydrophobicContact CB-CG 4.35Å; H379-E393 IonicContact ND1-OE2 2.61Å; R382-E393 IonicContact CZ-OE1 3.28Å; R382-E393 IonicContact CZ-OE2 3.53Å; R382-E393 IonicContact NH1-OE2 3.4Å; R382-E393 PolarHBondContact NH1-OE2 3.35Å; R382-E393 VanDerWaalsContact NH1-OE2 3.08Å; R382-E393 IonicContact NH2-OE1 3.14Å; R382-E393 PolarHBondContact NH2-OE1 3.42Å; R382-E393 VanDerWaalsContact NH2-OE1 3.07Å; R382-E393 IonicContact NH2-OE2 2.77Å; R382-E393 PolarHBondContact NH2-OE2 3.44Å; H389-E393 PolarHBondContact O-N 3.29Å; V390-E393 WeakPolarHBondContact O-CB 3.25Å; V390-E393 PolarHBondContact O-N 3.48Å; A391-E393 PolarHBondContact O-N 3.22Å; E393-V395 PolarHBondContact O-N 2.73Å; E393-S396 WeakPolarHBondContact O-CB 3.11Å; E393-S396 PolarHBondContact O-N 3.44Å; E393-A397 PolarHBondContact O-N 3.15Å
394L98.6Very high97.1Very high0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-63.4-41.3178.5-67.4173.5000111.8L357 F363 L375 V376 V390 A391 A397 A398 V409 V411L357-L394 HydrophobicContact CD1-CD1 3.6Å; F363-L394 HydrophobicContact CE2-CB 3.74Å; F363-L394 HydrophobicContact CE2-CD2 4.37Å; F363-L394 WeakPolarHBondContact CE2-O 3.1Å; F363-L394 HydrophobicContact CZ-CB 4.21Å; F363-L394 HydrophobicContact CZ-CD2 4.17Å; L375-L394 HydrophobicContact CB-CD2 3.58Å; L375-L394 HydrophobicContact CD1-CD2 3.81Å; L375-L394 HydrophobicContact CG-CD2 4.35Å; V376-L394 HydrophobicContact CG2-CD1 4.17Å; V376-L394 HydrophobicContact CG2-CD2 4.3Å; V390-L394 HydrophobicContact CG1-CD1 3.96Å; V390-L394 HydrophobicContact CG1-CG 4.36Å; V390-L394 VanDerWaalsContact O-CG 3.31Å; V390-L394 WeakPolarHBondContact O-CG 3.49Å; V390-L394 PolarHBondContact O-N 2.92Å; A391-L394 PolarHBondContact O-N 2.95Å; L394-A397 PolarHBondContact O-N 2.85Å; L394-A398 PolarHBondContact O-N 2.97Å; L394-V409 HydrophobicContact CB-CG1 4.11Å; L394-V409 HydrophobicContact CD1-CG1 3.78Å; L394-V411 HydrophobicContact CD1-CG2 3.73Å
395V98.6Very high97.3Very high3 Ų348.6 Ų48.62%0.01824%0.242CC..Hα-helixtrans-64.2-41173.4169.60000111H161 I163 A391 E392 E393 A397 A398 R399 I407 V409H161-V395 HydrophobicContact CB-CG2 4.08Å; I163-V395 HydrophobicContact CD1-CG1 3.35Å; I163-V395 HydrophobicContact CG1-CG1 3.66Å; I163-V395 HydrophobicContact CG2-CG1 4.43Å; A391-V395 WeakPolarHBondContact O-CB 3.37Å; A391-V395 VanDerWaalsContact O-CG2 3.28Å; A391-V395 WeakPolarHBondContact O-CG2 3.26Å; A391-V395 PolarHBondContact O-N 3.42Å; E392-V395 PolarHBondContact O-N 3.16Å; E393-V395 PolarHBondContact O-N 2.73Å; V395-A397 VanDerWaalsContact C-N 3.35Å; V395-A397 PolarHBondContact O-N 3.2Å; V395-A398 PolarHBondContact O-N 3.36Å; V395-R399 WeakPolarHBondContact O-CG 3.48Å; V395-R399 PolarHBondContact O-N 3.18Å; V395-I407 HydrophobicContact CB-CG2 4.45Å; V395-I407 HydrophobicContact CG1-CB 4.32Å; V395-I407 HydrophobicContact CG1-CD1 4.48Å; V395-I407 HydrophobicContact CG1-CG2 4.3Å; V395-I407 HydrophobicContact CG2-CB 4.48Å; V395-I407 HydrophobicContact CG2-CG2 3.86Å; V395-V409 HydrophobicContact CG2-CB 4.12Å; V395-V409 HydrophobicContact CG2-CG2 3.77Å
396S98.3Very high97.6Very high39 Ų3948.4 Ų48.427%0.27324%0.24SC..Hα-helixtrans-60.1-46175.1-160.90000111.3E392 E393 A398 R399 E400E392-S396 PolarHBondContact O-N 2.95Å; E393-S396 WeakPolarHBondContact O-CB 3.11Å; E393-S396 PolarHBondContact O-N 3.44Å; S396-A398 VanDerWaalsContact C-N 3.32Å; S396-A398 PolarHBondContact O-N 3.27Å; S396-R399 PolarHBondContact O-N 3.32Å; S396-R399 VanDerWaalsContact O-N 3.15Å; S396-E400 WeakPolarHBondContact O-CG 3.48Å; S396-E400 PolarHBondContact O-N 3.29Å; S396-E400 PolarHBondContact OG-OE1 3.05Å
397A98.3Very high97.8Very high7 Ų746.3 Ų46.36%0.05823%0.225CC..Hα-helixtrans-59.5-41.4177.600000112.2L375 E393 L394 V395 E400 R401L375-A397 HydrophobicContact CD1-CB 3.89Å; L375-A397 HydrophobicContact CD2-CB 4.13Å; E393-A397 PolarHBondContact O-N 3.15Å; L394-A397 PolarHBondContact O-N 2.85Å; V395-A397 VanDerWaalsContact C-N 3.35Å; V395-A397 PolarHBondContact O-N 3.2Å; A397-E400 PolarHBondContact O-N 2.96Å; A397-R401 WeakPolarHBondContact O-CB 3.4Å; A397-R401 WeakPolarHBondContact O-CD 3.45Å; A397-R401 VanDerWaalsContact O-CG 3.23Å; A397-R401 WeakPolarHBondContact O-CG 3.17Å; A397-R401 PolarHBondContact O-N 2.75Å; A397-R401 VanDerWaalsContact O-N 3.09Å
398A98.5Very high98Very high0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-64.7-40.6175.700000112.5F363 V366 V367 L394 V395 S396 R401 G402 S403 I407F363-A398 HydrophobicContact CD2-CB 3.83Å; F363-A398 HydrophobicContact CE2-CB 4.47Å; V366-A398 HydrophobicContact CG2-CB 3.72Å; V367-A398 HydrophobicContact CG2-CB 4.07Å; L394-A398 PolarHBondContact O-N 2.97Å; V395-A398 PolarHBondContact O-N 3.36Å; S396-A398 VanDerWaalsContact C-N 3.32Å; S396-A398 PolarHBondContact O-N 3.27Å; A398-R401 PolarHBondContact O-N 3.06Å; A398-G402 PolarHBondContact O-N 3.44Å; A398-S403 VanDerWaalsContact O-CB 3.29Å; A398-S403 WeakPolarHBondContact O-CB 3.39Å; A398-S403 PolarHBondContact O-N 3.33Å; A398-I407 HydrophobicContact CB-CD1 4.02Å; A398-I407 HydrophobicContact CB-CG2 4.43Å
399R98.4Very high98.2Very high138 Ų13842.1 Ų42.152%0.52120%0.203SC..Hα-helixtrans-64.4-44175.4-67174.373.8-143.1-7.6112.2I163 N165 V395 S396 R401 G402 I407I163-R399 HydrophobicContact CD1-CG 4.07Å; N165-R399 PolarHBondContact OD1-NE 3.21Å; V395-R399 WeakPolarHBondContact O-CG 3.48Å; V395-R399 PolarHBondContact O-N 3.18Å; S396-R399 PolarHBondContact O-N 3.32Å; S396-R399 VanDerWaalsContact O-N 3.15Å; R399-R401 PolarHBondContact O-N 2.94Å; R399-G402 PolarHBondContact O-N 2.84Å; R399-I407 HydrophobicContact CG-CD1 3.81Å
400E97.9Very high98.3Very high152 Ų15236.4 Ų36.471%0.7118%0.176SC*.Hα-helixtrans-62.9-27.5178-73166.1-151.400112.1S396 A397 G402S396-E400 WeakPolarHBondContact O-CG 3.48Å; S396-E400 PolarHBondContact O-N 3.29Å; S396-E400 PolarHBondContact OG-OE1 3.05Å; A397-E400 PolarHBondContact O-N 2.96Å; E400-G402 VanDerWaalsContact C-N 3.28Å; E400-G402 PolarHBondContact O-N 3.39Å
401R97.8Very high98.3Very high109 Ų10936.4 Ų36.441%0.41118%0.176SC..THydrogen-bonded Turntrans-85.96.6174.3-68.4171.6-176.3-116.12114.3V366 E371 A397 A398 R399V366-R401 HydrophobicContact CB-CB 4.02Å; V366-R401 HydrophobicContact CG2-CB 4.27Å; V366-R401 WeakPolarHBondContact O-CD 3.22Å; E371-R401 IonicContact OE1-NH1 2.8Å; E371-R401 IonicContact OE2-CZ 3.04Å; E371-R401 IonicContact OE2-NH1 3.55Å; E371-R401 PolarHBondContact OE2-NH1 3.01Å; E371-R401 IonicContact OE2-NH2 3.28Å; E371-R401 PolarHBondContact OE2-NH2 3.35Å; A397-R401 WeakPolarHBondContact O-CB 3.4Å; A397-R401 WeakPolarHBondContact O-CD 3.45Å; A397-R401 VanDerWaalsContact O-CG 3.23Å; A397-R401 WeakPolarHBondContact O-CG 3.17Å; A397-R401 PolarHBondContact O-N 2.75Å; A397-R401 VanDerWaalsContact O-N 3.09Å; A398-R401 PolarHBondContact O-N 3.06Å; R399-R401 PolarHBondContact O-N 2.94Å
402G97.6Very high98.3Very high36 Ų3636.4 Ų36.437%0.37118%0.176SC..THydrogen-bonded Turntrans8920.2172.600000114.9A398 R399 E400 H404A398-G402 PolarHBondContact O-N 3.44Å; R399-G402 PolarHBondContact O-N 2.84Å; E400-G402 VanDerWaalsContact C-N 3.28Å; E400-G402 PolarHBondContact O-N 3.39Å; G402-H404 PolarHBondContact O-CD2 3.25Å; G402-H404 PolarHBondContact O-N 2.93Å
403S97.9Very high98.3Very high9 Ų934 Ų346%0.06317%0.165CC..  trans-59.7129.6169.31770000110.6N165 G362 A398 D405 I407N165-S403 PolarHBondContact ND2-O 2.96Å; G362-S403 VanDerWaalsContact O-CB 3.24Å; G362-S403 WeakPolarHBondContact O-CB 3.37Å; G362-S403 PolarHBondContact O-OG 3.23Å; A398-S403 VanDerWaalsContact O-CB 3.29Å; A398-S403 WeakPolarHBondContact O-CB 3.39Å; A398-S403 PolarHBondContact O-N 3.33Å; S403-D405 PolarHBondContact OG-N 2.72Å; S403-I407 WeakPolarHBondContact OG-CD1 3.35Å
404H96.6Very high98.2Very high131 Ų13132 Ų3261%0.60616%0.156SC*.  trans-112.67.6177.1-68.7-59.9000113.1T166 R167 G402T166-H404 WeakPolarHBondContact OG1-CA 3.43Å; T166-H404 PolarHBondContact OG1-O 3.39Å; R167-H404 PolarHBondContact NE-O 2.96Å; G402-H404 PolarHBondContact O-CD2 3.25Å; G402-H404 PolarHBondContact O-N 2.93Å
405D97.8Very high98Very high22 Ų2235.7 Ų35.712%0.11817%0.17CC..SBendtrans-96.5171.5-178.6-140.2-28.9000113.1N165 R167 S403 I407N165-D405 WeakPolarHBondContact CB-O 3.34Å; N165-D405 PolarHBondContact ND2-O 3.1Å; R167-D405 IonicContact CZ-OD1 3.87Å; R167-D405 IonicContact CZ-OD2 4Å; R167-D405 IonicContact NE-OD1 3.79Å; R167-D405 PolarHBondContact NE-OD1 3.32Å; R167-D405 VanDerWaalsContact NE-OD1 3.13Å; R167-D405 IonicContact NE-OD2 3.95Å; R167-D405 IonicContact NH1-OD1 3.03Å; R167-D405 PolarHBondContact NH1-OD1 3.04Å; R167-D405 IonicContact NH1-OD2 2.88Å; R167-D405 IonicContact NH2-OD1 3.68Å; R167-D405 PolarHBondContact NH2-OD1 2.94Å; R167-D405 IonicContact NH2-OD2 3.13Å; R167-D405 PolarHBondContact NH2-OD2 3.19Å; S403-D405 PolarHBondContact OG-N 2.72Å; D405-I407 WeakPolarHBondContact O-CG1 3.29Å
406N98.7Very high97.8Very high1 Ų139.4 Ų39.41%0.00519%0.19CC..  trans-53.9143.4155-68.9168.7000108.9I163 R164 R167 K169 M170 E171 D172 G362I163-N406 WeakPolarHBondContact O-CA 3.47Å; R164-N406 WeakPolarHBondContact CA-ND2 3.26Å; R164-N406 PolarHBondContact O-ND2 3.16Å; R167-N406 WeakPolarHBondContact CB-ND2 3.29Å; K169-N406 PolarHBondContact O-ND2 3.02Å; K169-N406 PolarHBondContact O-OD1 3.02Å; M170-N406 WeakPolarHBondContact CA-OD1 3.44Å; M170-N406 HydrophobicContact SD-CB 4.01Å; E171-N406 PolarHBondContact N-OD1 3.31Å; D172-N406 WeakPolarHBondContact OD1-CB 3.33Å; G362-N406 WeakPolarHBondContact CA-O 3.34Å
407I98.8Very high97.6Very high0 Ų037.7 Ų37.70%018%0.178CC..EExtended strand (participates in β ladder)trans-133117.2-178.3-44.7-178.8000107.8A162 I163 N165 F363 V395 A398 R399 S403 D405 V409A162-I407 CarbonylContact C-O 3.46Å; A162-I407 VanDerWaalsContact CA-O 3.28Å; A162-I407 WeakPolarHBondContact CA-O 3.37Å; I163-I407 HydrophobicContact CD1-CD1 4.38Å; I163-I407 HydrophobicContact CG1-CB 4.01Å; I163-I407 HydrophobicContact CG1-CG1 4.41Å; I163-I407 PolarHBondContact N-O 3.35Å; I163-I407 PolarHBondContact O-N 2.75Å; N165-I407 HydrophobicContact CB-CG1 4.4Å; F363-I407 HydrophobicContact CB-CG2 4Å; V395-I407 HydrophobicContact CB-CG2 4.45Å; V395-I407 HydrophobicContact CG1-CB 4.32Å; V395-I407 HydrophobicContact CG1-CD1 4.48Å; V395-I407 HydrophobicContact CG1-CG2 4.3Å; V395-I407 HydrophobicContact CG2-CB 4.48Å; V395-I407 HydrophobicContact CG2-CG2 3.86Å; A398-I407 HydrophobicContact CB-CD1 4.02Å; A398-I407 HydrophobicContact CB-CG2 4.43Å; R399-I407 HydrophobicContact CG-CD1 3.81Å; S403-I407 WeakPolarHBondContact OG-CD1 3.35Å; D405-I407 WeakPolarHBondContact O-CG1 3.29Å; I407-V409 HydrophobicContact CG2-CG2 4.22Å
408T98.9Very high97.3Very high0 Ų042.7 Ų42.70%020%0.2CC..EExtended strand (participates in β ladder)trans-123.8122.2173.2-61.40000108.9H161 A162 D172 H174 V197 A359 C360H161-T408 WeakPolarHBondContact O-CA 3.25Å; A162-T408 HydrophobicContact CB-CG2 4.04Å; D172-T408 WeakPolarHBondContact CB-OG1 3.33Å; D172-T408 WeakPolarHBondContact OD2-CB 3.42Å; D172-T408 PolarHBondContact OD2-N 3.1Å; D172-T408 PolarHBondContact OD2-OG1 3.35Å; H174-T408 HydrophobicContact CB-CG2 4.05Å; V197-T408 HydrophobicContact CG1-CG2 3.94Å; V197-T408 HydrophobicContact CG2-CG2 4.02Å; A359-T408 WeakPolarHBondContact CA-O 3.02Å; A359-T408 WeakPolarHBondContact CB-O 3.32Å; C360-T408 PolarHBondContact N-O 3.45Å; C360-T408 PolarHBondContact SG-N 2.95Å
409V98.9Very high97Very high0 Ų046.8 Ų46.80%022%0.219CC..EExtended strand (participates in β ladder)trans-127.3132.7176.2-178.90000108.9I160 H161 L357 A359 F363 A391 L394 V395 I407 V411I160-V409 WeakPolarHBondContact CA-O 3.41Å; H161-V409 PolarHBondContact N-O 3.19Å; H161-V409 PolarHBondContact O-N 2.98Å; L357-V409 HydrophobicContact CD1-CG1 4.09Å; L357-V409 HydrophobicContact CD2-CG1 4.44Å; L357-V409 HydrophobicContact CG-CG1 4.18Å; A359-V409 HydrophobicContact CB-CB 4.46Å; A359-V409 HydrophobicContact CB-CG2 4.03Å; F363-V409 HydrophobicContact CB-CG2 3.89Å; F363-V409 HydrophobicContact CD1-CG2 4.35Å; F363-V409 HydrophobicContact CD2-CG2 3.58Å; F363-V409 HydrophobicContact CE2-CG2 4.22Å; F363-V409 HydrophobicContact CG-CG2 3.68Å; A391-V409 HydrophobicContact CB-CB 4.3Å; A391-V409 HydrophobicContact CB-CG1 4.27Å; A391-V409 WeakPolarHBondContact CB-O 3.1Å; L394-V409 HydrophobicContact CB-CG1 4.11Å; L394-V409 HydrophobicContact CD1-CG1 3.78Å; V395-V409 HydrophobicContact CG2-CB 4.12Å; V395-V409 HydrophobicContact CG2-CG2 3.77Å; I407-V409 HydrophobicContact CG2-CG2 4.22Å; V409-V411 HydrophobicContact CG1-CG2 4.31Å
410M98.9Very high96.7Very high0 Ų040.6 Ų40.60%020%0.196CC..EExtended strand (participates in β ladder)trans-127.8124.2174173.5173.5-39.800109.7V158 S159 I160 H174 V175 F195 V197 L357 L358 V412V158-M410 HydrophobicContact CG1-CG 3.89Å; V158-M410 HydrophobicContact CG1-SD 4.22Å; S159-M410 CarbonylContact O-C 3.42Å; S159-M410 WeakPolarHBondContact O-CA 3.21Å; I160-M410 HydrophobicContact CD1-CE 3.71Å; I160-M410 HydrophobicContact CD1-CG 4.46Å; I160-M410 HydrophobicContact CD1-SD 4.29Å; I160-M410 HydrophobicContact CG1-CB 4.31Å; I160-M410 HydrophobicContact CG1-CE 4.05Å; I160-M410 HydrophobicContact CG1-CG 3.93Å; I160-M410 HydrophobicContact CG1-SD 4.4Å; I160-M410 HydrophobicContact CG2-CB 4.45Å; I160-M410 HydrophobicContact CG2-CE 4.27Å; H174-M410 HydrophobicContact CB-CE 3.89Å; V175-M410 WeakPolarHBondContact O-CE 3.34Å; F195-M410 HydrophobicContact CB-SD 3.71Å; F195-M410 HydrophobicContact CD1-SD 3.89Å; F195-M410 HydrophobicContact CG-SD 4.18Å; V197-M410 HydrophobicContact CG2-CB 4.46Å; L357-M410 CarbonylContact C-O 3.5Å; L357-M410 VanDerWaalsContact CA-O 3.29Å; L357-M410 WeakPolarHBondContact CA-O 3.5Å; L358-M410 HydrophobicContact CB-CB 4.42Å; L358-M410 PolarHBondContact N-O 3.47Å; L358-M410 PolarHBondContact O-N 3Å; M410-V412 HydrophobicContact CG-CG2 4.08Å; M410-V412 HydrophobicContact SD-CG2 4.2Å
411V98.8Very high96.1Very high0 Ų035.4 Ų35.40%017%0.173CC..EExtended strand (participates in β ladder)trans-112.8119.3174.3-174.50000109V158 S159 Y355 L356 L357 V390 L394 V409 F413V158-V411 CarbonylContact C-O 3.47Å; V158-V411 VanDerWaalsContact CA-O 3.3Å; V158-V411 WeakPolarHBondContact CA-O 3.43Å; S159-V411 PolarHBondContact N-O 3.38Å; S159-V411 PolarHBondContact O-N 3.03Å; Y355-V411 HydrophobicContact CD2-CG1 3.98Å; Y355-V411 HydrophobicContact CG-CG1 4.14Å; L356-V411 CarbonylContact O-C 3.6Å; L356-V411 WeakPolarHBondContact O-CA 3.37Å; L357-V411 HydrophobicContact CD1-CG2 4.11Å; L357-V411 HydrophobicContact CG-CG2 4.3Å; V390-V411 HydrophobicContact CG1-CG2 4.03Å; L394-V411 HydrophobicContact CD1-CG2 3.73Å; V409-V411 HydrophobicContact CG1-CG2 4.31Å; V411-F413 HydrophobicContact CB-CE2 4.49Å; V411-F413 HydrophobicContact CG1-CD2 4.17Å; V411-F413 HydrophobicContact CG1-CE2 3.75Å; V411-F413 HydrophobicContact CG1-CZ 3.96Å
412V98.5Very high94.9Very high0 Ų037 Ų370%019%0.186CC..EExtended strand (participates in β ladder)trans-108.1108.5176.6-177.20000108.1W156 V158 F195 Y355 L356 M410 L414W156-V412 HydrophobicContact CE3-CG1 3.89Å; W156-V412 HydrophobicContact CZ3-CG1 4.48Å; V158-V412 HydrophobicContact CG1-CG2 4.03Å; V158-V412 HydrophobicContact CG2-CG1 4.38Å; V158-V412 HydrophobicContact CG2-CG2 4.41Å; F195-V412 HydrophobicContact CB-CG2 4.26Å; F195-V412 HydrophobicContact CD1-CG2 3.77Å; F195-V412 HydrophobicContact CD2-CG1 4.23Å; F195-V412 HydrophobicContact CD2-CG2 3.9Å; F195-V412 HydrophobicContact CE1-CG1 4.39Å; F195-V412 HydrophobicContact CE1-CG2 4.08Å; F195-V412 HydrophobicContact CE2-CG1 3.76Å; F195-V412 HydrophobicContact CE2-CG2 4.18Å; F195-V412 HydrophobicContact CG-CG2 3.67Å; F195-V412 HydrophobicContact CZ-CG1 3.85Å; F195-V412 HydrophobicContact CZ-CG2 4.27Å; Y355-V412 CarbonylContact C-O 3.58Å; Y355-V412 WeakPolarHBondContact CA-O 3.2Å; Y355-V412 VanDerWaalsContact CB-O 3.31Å; Y355-V412 WeakPolarHBondContact CB-O 3.34Å; L356-V412 HydrophobicContact CB-CB 4.31Å; L356-V412 PolarHBondContact N-O 3.06Å; L356-V412 PolarHBondContact O-N 3.49Å; M410-V412 HydrophobicContact CG-CG2 4.08Å; M410-V412 HydrophobicContact SD-CG2 4.2Å; V412-L414 HydrophobicContact CG1-CD2 4.44Å; V412-L414 PolarHBondContact O-N 3.45Å
413F97.9Very high93.1Very high8 Ų837.8 Ų37.84%0.03519%0.193CC..EExtended strand (participates in β ladder)trans-74.6122.5178.5-75.7-83.5000110.8L157 Y355 V376 L380 G387 V390 V411 P417 L420L157-F413 HydrophobicContact CB-CB 4.16Å; L157-F413 HydrophobicContact CB-CD2 4.49Å; L157-F413 HydrophobicContact CD2-CB 4.4Å; L157-F413 HydrophobicContact CD2-CD2 3.88Å; L157-F413 HydrophobicContact CD2-CE2 4.49Å; L157-F413 HydrophobicContact CD2-CG 4.24Å; L157-F413 HydrophobicContact CG-CB 4.49Å; L157-F413 HydrophobicContact CG-CD2 3.96Å; L157-F413 PolarHBondContact O-N 2.81Å; Y355-F413 HydrophobicContact CD1-CD1 4.33Å; Y355-F413 HydrophobicContact CD1-CE1 4.06Å; Y355-F413 HydrophobicContact CG-CE1 4.44Å; V376-F413 HydrophobicContact CG1-CZ 4.39Å; L380-F413 HydrophobicContact CD1-CE1 4.44Å; L380-F413 HydrophobicContact CD2-CZ 4.34Å; G387-F413 WeakPolarHBondContact O-CE2 3.28Å; V390-F413 HydrophobicContact CG2-CE2 4.24Å; V390-F413 HydrophobicContact CG2-CZ 4.01Å; V411-F413 HydrophobicContact CB-CE2 4.49Å; V411-F413 HydrophobicContact CG1-CD2 4.17Å; V411-F413 HydrophobicContact CG1-CE2 3.75Å; V411-F413 HydrophobicContact CG1-CZ 3.96Å; F413-P417 HydrophobicContact CB-CG 4.46Å; F413-P417 HydrophobicContact CD1-CB 4.06Å; F413-P417 HydrophobicContact CD1-CG 3.67Å; F413-P417 HydrophobicContact CD2-CG 4.16Å; F413-P417 HydrophobicContact CE1-CB 3.87Å; F413-P417 HydrophobicContact CE1-CG 3.87Å; F413-P417 HydrophobicContact CE2-CG 4.33Å; F413-P417 HydrophobicContact CG-CG 3.83Å; F413-P417 HydrophobicContact CZ-CB 4.32Å; F413-P417 HydrophobicContact CZ-CG 4.2Å; F413-L420 HydrophobicContact CD1-CD1 3.95Å; F413-L420 HydrophobicContact CE1-CD1 3.86Å
414L96.6Very high91Very high16 Ų1639.6 Ų39.68%0.08421%0.213CC..SBendtrans-91.5-24.3177.6-59.5-177.3000111.2R154 W156 I263 L280 L349 E353 D354 L356 V412R154-L414 PolarHBondContact NH2-O 2.97Å; W156-L414 HydrophobicContact CE3-CD2 4.39Å; W156-L414 HydrophobicContact CH2-CD2 4.42Å; W156-L414 HydrophobicContact CZ3-CD2 3.58Å; I263-L414 HydrophobicContact CD1-CD2 3.63Å; L280-L414 HydrophobicContact CD1-CD1 3.9Å; L349-L414 HydrophobicContact CD2-CD1 4.29Å; E353-L414 HydrophobicContact CB-CB 4.33Å; E353-L414 HydrophobicContact CB-CD1 3.51Å; E353-L414 HydrophobicContact CG-CD1 4.4Å; E353-L414 WeakPolarHBondContact O-CB 3.28Å; D354-L414 PolarHBondContact O-N 3.05Å; L356-L414 HydrophobicContact CD1-CD1 4.47Å; L356-L414 HydrophobicContact CD1-CD2 4.31Å; L356-L414 HydrophobicContact CD2-CD1 4.35Å; L356-L414 HydrophobicContact CG-CD1 3.96Å; L356-L414 HydrophobicContact CG-CD2 4.4Å; L356-L414 HydrophobicContact CG-CG 4.35Å; V412-L414 HydrophobicContact CG1-CD2 4.44Å; V412-L414 PolarHBondContact O-N 3.45Å
415R94.4Very high88.4Confident78 Ų7840.1 Ų40.129%0.29422%0.22SC..SBendtrans-122.9159.7170-74.3178.869.5-166.90.1111.1G351 E353 D354 P417 E419 L420G351-R415 WeakPolarHBondContact O-CD 3.19Å; E353-R415 WeakPolarHBondContact O-CD 3.37Å; E353-R415 VanDerWaalsContact O-CG 3.23Å; E353-R415 WeakPolarHBondContact O-CG 3.23Å; D354-R415 PolarHBondContact O-N 2.68Å; D354-R415 VanDerWaalsContact O-N 3.15Å; D354-R415 IonicContact OD1-NH1 3.07Å; R415-P417 WeakPolarHBondContact O-CD 3.49Å; R415-E419 IonicContact CZ-OE2 3.84Å; R415-E419 IonicContact NE-OE2 3.36Å; R415-E419 PolarHBondContact NE-OE2 2.91Å; R415-E419 IonicContact NH2-OE2 2.8Å; R415-E419 PolarHBondContact NH2-OE2 3.48Å; R415-L420 HydrophobicContact CB-CD2 4.2Å
416D94.4Very high85.8Confident81 Ų8147.7 Ų47.743%0.43326%0.255SS..  trans-59.3124.2175.7-169.9-35.1000109.8Q418 E419 L420D416-Q418 PolarHBondContact O-N 3.34Å; D416-Q418 VanDerWaalsContact O-N 3.14Å; D416-Q418 WeakPolarHBondContact OD1-CB 3.29Å; D416-Q418 PolarHBondContact OD1-N 3.4Å; D416-E419 HydrophobicContact CB-CG 4.07Å; D416-E419 WeakPolarHBondContact O-CB 3.5Å; D416-E419 PolarHBondContact O-N 3.25Å; D416-L420 PolarHBondContact O-N 2.73Å
417P94.4Very high83Confident4 Ų451.2 Ų51.23%0.02629%0.292CS..Hα-helixtrans-59.6-22.9179.1-10.216.1000114.3L157 L380 G385 F413 R415 L420L157-P417 HydrophobicContact CD2-CG 3.28Å; L380-P417 HydrophobicContact CD1-CB 4.09Å; L380-P417 HydrophobicContact CD2-CB 3.61Å; G385-P417 WeakPolarHBondContact O-CB 3.37Å; F413-P417 HydrophobicContact CB-CG 4.46Å; F413-P417 HydrophobicContact CD1-CB 4.06Å; F413-P417 HydrophobicContact CD1-CG 3.67Å; F413-P417 HydrophobicContact CD2-CG 4.16Å; F413-P417 HydrophobicContact CE1-CB 3.87Å; F413-P417 HydrophobicContact CE1-CG 3.87Å; F413-P417 HydrophobicContact CE2-CG 4.33Å; F413-P417 HydrophobicContact CG-CG 3.83Å; F413-P417 HydrophobicContact CZ-CB 4.32Å; F413-P417 HydrophobicContact CZ-CG 4.2Å; R415-P417 WeakPolarHBondContact O-CD 3.49Å; P417-L420 WeakPolarHBondContact O-CB 3.33Å; P417-L420 PolarHBondContact O-N 3.48Å
418Q92.6Very high80Confident112 Ų11255.2 Ų55.252%0.52333%0.325SS..Hα-helixtrans-63.8-41.3171.2-84.4-173.4-21.200111.8D416 L420 L421 E422D416-Q418 PolarHBondContact O-N 3.34Å; D416-Q418 VanDerWaalsContact O-N 3.14Å; D416-Q418 WeakPolarHBondContact OD1-CB 3.29Å; D416-Q418 PolarHBondContact OD1-N 3.4Å; Q418-L420 PolarHBondContact O-N 2.92Å; Q418-L421 WeakPolarHBondContact O-CB 3.4Å; Q418-L421 PolarHBondContact O-N 3.02Å; Q418-L421 VanDerWaalsContact O-N 3.15Å; Q418-E422 PolarHBondContact O-N 3.23Å
419E91.6Very high76.8Confident86 Ų8658.4 Ų58.440%0.40236%0.358SS..Hα-helixtrans-64.8-28.4177.7-65.5178.6-169.900112.2R415 D416 L421 E422 G423R415-E419 IonicContact CZ-OE2 3.84Å; R415-E419 IonicContact NE-OE2 3.36Å; R415-E419 PolarHBondContact NE-OE2 2.91Å; R415-E419 IonicContact NH2-OE2 2.8Å; R415-E419 PolarHBondContact NH2-OE2 3.48Å; D416-E419 HydrophobicContact CB-CG 4.07Å; D416-E419 WeakPolarHBondContact O-CB 3.5Å; D416-E419 PolarHBondContact O-N 3.25Å; E419-L421 PolarHBondContact O-N 3.2Å; E419-E422 PolarHBondContact O-N 2.78Å; E419-G423 PolarHBondContact O-N 3.42Å
420L90.9Very high73.5Confident8 Ų865.4 Ų65.44%0.04240%0.395CS..Hα-helixtrans-67.8-26.2178.1-55.9-175.1000112.5D354 Y355 Q377 L380 F413 R415 D416 P417 Q418D354-L420 HydrophobicContact CB-CD1 4.02Å; D354-L420 HydrophobicContact CB-CD2 3.62Å; D354-L420 HydrophobicContact CB-CG 4.49Å; D354-L420 VanDerWaalsContact OD1-CD2 3.26Å; D354-L420 WeakPolarHBondContact OD1-CD2 3.35Å; Y355-L420 HydrophobicContact CD1-CD1 4.01Å; Y355-L420 HydrophobicContact CE1-CD1 4.41Å; Q377-L420 PolarHBondContact NE2-O 3.24Å; L380-L420 HydrophobicContact CD1-CB 4.11Å; L380-L420 HydrophobicContact CD1-CD1 4.16Å; F413-L420 HydrophobicContact CD1-CD1 3.95Å; F413-L420 HydrophobicContact CE1-CD1 3.86Å; R415-L420 HydrophobicContact CB-CD2 4.2Å; D416-L420 PolarHBondContact O-N 2.73Å; P417-L420 WeakPolarHBondContact O-CB 3.33Å; P417-L420 PolarHBondContact O-N 3.48Å; Q418-L420 PolarHBondContact O-N 2.92Å
421L85.5Confident70.6Confident43 Ų4370.9 Ų70.923%0.22543%0.431CS..Hα-helixtrans-77-40173.1-69.9-178.7000112.2L380 M381 G385 Q418 E419 G424L380-L421 HydrophobicContact CB-CD1 4.41Å; L380-L421 HydrophobicContact CB-CD2 3.7Å; L380-L421 HydrophobicContact CB-CG 4.08Å; M381-L421 HydrophobicContact CB-CD2 4.38Å; M381-L421 HydrophobicContact CG-CD2 3.57Å; G385-L421 VanDerWaalsContact N-CD1 3.3Å; Q418-L421 WeakPolarHBondContact O-CB 3.4Å; Q418-L421 PolarHBondContact O-N 3.02Å; Q418-L421 VanDerWaalsContact O-N 3.15Å; E419-L421 PolarHBondContact O-N 3.2Å; L421-G424 PolarHBondContact O-N 3.09Å
422E73.8Confident67.5Low143 Ų14379.3 Ų79.367%0.66847%0.47SS*.Hα-helixtrans-70.2-35.6-177.7-64.1-177.9169.700112Q418 E419 G424Q418-E422 PolarHBondContact O-N 3.23Å; E419-E422 PolarHBondContact O-N 2.78Å; E422-G424 PolarHBondContact O-N 3.2Å
423G59.8Low64.3Low51 Ų5184.4 Ų84.453%0.52651%0.512SS..Hα-helixtrans-70.1-25.4176.700000114.7E419 N425E419-G423 PolarHBondContact O-N 3.42Å; G423-N425 VanDerWaalsContact C-N 3.27Å; G423-N425 PolarHBondContact O-N 3.03Å
424G52.8Low61Low47 Ų4788 Ų8849%0.48555%0.551SS.*G310 helixtrans-70.9-19.6179.300000114.2L421 E422L421-G424 PolarHBondContact O-N 3.09Å; E422-G424 PolarHBondContact O-N 3.2Å
425N43.1Very low57.7Low142 Ų14290.8 Ų90.876%0.75958%0.584SS**G310 helixtrans-86.9-3.5-174.9-134.920.1000114.1G423G423-N425 VanDerWaalsContact C-N 3.27Å; G423-N425 PolarHBondContact O-N 3.03Å
426Q42.2Very low54.6Low182 Ų18299 Ų9985%0.8562%0.615SS**G310 helixtrans-96.3-3.6177.6-63.8-174.423.900113.4
427G39.7Very low51.6Low75 Ų75100.8 Ų100.877%0.77363%0.634SS**SBendtrans-100.3-9.3179.500000115.8
428A35.7Very low48.8Very low84 Ų84109.9 Ų109.969%0.69468%0.676SS**  trans-106.666.6178.300000110.5D430A428-D430 PolarHBondContact O-N 2.88Å
429G31.7Very low45.9Very low67 Ų67111.7 Ų111.769%0.69169%0.689SS**  trans-70.3108.5166.600000110P431G429-P431 WeakPolarHBondContact O-CD 3.3Å
430D30.4Very low43.1Very low146 Ų146115.4 Ų115.478%0.78171%0.71SS**  trans-41.3115.8173.3-156.94.6000113.4A428A428-D430 PolarHBondContact O-N 2.88Å
431P38.7Very low40.5Very low116 Ų116120.4 Ų120.475%0.75374%0.743SS**  trans-99.676.8170.935.2-26000109.4G429G429-P431 WeakPolarHBondContact O-CD 3.3Å
432Q33.1Very low38Very low177 Ų177123.6 Ų123.683%0.82777%0.769SS**  trans-161.7110.5155.6-114.5168.666.300114.2
433A30.7Very low36Very low107 Ų107121.9 Ų121.988%0.88477%0.773SS**  139.6119.1123.600000113.3
434G28Very low34.8Very low83 Ų83127.2 Ų127.286%0.85679%0.789SS**  trans15180163.300000114.1
435G27.4Very low34.1Very low74 Ų74130.5 Ų130.576%0.76380%0.802SS**  trans-82174.2-173.300000116.2
436R30.7Very low33.8Very low252 Ų252132.4 Ų132.495%0.95181%0.806SS**  172.4130.6124.8-95.5173.7179.7-174.60.1110.3
437S31.7Very low33.6Very low118 Ų118129.8 Ų129.883%0.82581%0.805SS**  trans-49.2136.5167.8-66.90000112.7
438Q33.8Very low33.3Very low195 Ų195134.9 Ų134.991%0.91181%0.808SS**  trans-140.1129.7142.2-72.3-167.3-12.300109.6
439D32.2Very low33.3Very low149 Ų149137.7 Ų137.780%0.79782%0.817SS**  trans-64.7163176.3-68-59.5000113.8
440L32.2Very low33.5Very low164 Ų164143.3 Ų143.386%0.85983%0.825SS**  trans125151.6150.8-71.2150000114.4
441P36.8Very low33.9Very low113 Ų113140.8 Ų140.873%0.73483%0.825SS**  -126.5173.9-65.429.1-8.9000112.2
442S32.9Very low34.4Very low110 Ų110141 Ų14177%0.76983%0.826SS**  trans-58.5144178.1450000115.8
443S32Very low35.1Very low107 Ų107138.6 Ų138.675%0.74883%0.826SS**  141.9129.5129.559.50000112.8
444L34.1Very low35.6Very low164 Ų164145.3 Ų145.386%0.85983%0.829SS**  trans157.1154.3138.5-82.3168.7000111.5
445P38Very low36.5Very low116 Ų116150.7 Ų150.775%0.75385%0.853SS**  -113.5172.8-117.339.9-31.9000115.7
446E38.2Very low37Very low182 Ų182154.6 Ų154.685%0.8586%0.858SS**PPolyproline II helixtrans-62.1153.6177.9-64.5-178.514600114.2
447P36.7Very low37.3Very low126 Ų126149.4 Ų149.482%0.81885%0.853SS**PPolyproline II helixtrans-89130.5178.933.4-30000112.8
448E33.8Very low37.6Very low182 Ų182151.2 Ų151.285%0.8586%0.855SS**PPolyproline II helixtrans-73.4137.3170-75.3-175.2155.500112.1
449T35.9Very low37.8Very low144 Ų144148.6 Ų148.688%0.88385%0.851SS**PPolyproline II helixtrans-88.1130.3172.524.20000109.9
450Q35.5Very low38.2Very low184 Ų184148.6 Ų148.686%0.8686%0.855SS**  trans-120.7122.4166.1-76.6-173.37.700110.6
451A38.6Very low38.6Very low94 Ų94147.5 Ų147.578%0.77785%0.854SS**PPolyproline II helixtrans-87.9153.7169.300000110.8
452P49.2Very low38.7Very low119 Ų119150 Ų15077%0.77386%0.863SS**PPolyproline II helixtrans-87.3155.3-179.534.5-32.4000112.4
453P48.4Very low39.1Very low128 Ų128153.1 Ų153.183%0.83187%0.87SS**PPolyproline II helixtrans-82.3146177.433.4-31.1000111.7
454R41.1Very low39.7Very low247 Ų247156.9 Ų156.993%0.93288%0.88SS**PPolyproline II helixtrans-73.9145.8170-71.1177.8173.5179-2.9110.9
455S47.3Very low40.2Very low197 Ų197156.3 Ų156.3100%1.37888%0.882SS**  trans-116.60149.3-51.70000107.7

Retrieved 455 of 455 residues in 571.1 ms (Link to these results)

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