A0A087Y5P6_POEFO Loading...

HYLS1 centriolar and ciliogenesis associated

AlphaFold DB , UniProt , Accession A0A087Y5P6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 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
1M46.3Very low57.1Low154 Ų15471.9 Ų71.976%0.75940%0.403SS*.  0-78.10-149.4166.4-163.600110.6A3 N4 F5M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.37Å; M1-N4 PolarHBondContact N-OD1 3.25Å; M1-N4 PolarHBondContact O-N 3.4Å; M1-F5 WeakPolarHBondContact O-CB 3.47Å; M1-F5 PolarHBondContact O-N 2.78Å
2V55.1Low56.7Low60 Ų6078.8 Ų78.836%0.36443%0.429SS..Hα-helixtrans-55-43.2178.7-177.80000113N4 F5 L6 L53 L56V2-N4 PolarHBondContact O-N 3.25Å; V2-F5 WeakPolarHBondContact O-CB 3.49Å; V2-F5 PolarHBondContact O-N 3.44Å; V2-L6 HydrophobicContact CG1-CD1 4.1Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 3.28Å; V2-L53 HydrophobicContact CG1-CD2 4.49Å; V2-L56 HydrophobicContact CG1-CD2 3.98Å
3A54Low56.3Low21 Ų2185.8 Ų85.817%0.17446%0.457CS..Hα-helixtrans-57.6-50.4174.200000112.4M1 F5 L6 T7 A66M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.37Å; A3-F5 VanDerWaalsContact C-N 3.28Å; A3-F5 PolarHBondContact O-N 3.06Å; A3-L6 PolarHBondContact O-N 3Å; A3-T7 PolarHBondContact O-N 2.88Å; A3-T7 PolarHBondContact O-OG1 2.91Å; A3-A66 HydrophobicContact CB-CB 3.98Å
4N58.1Low55.6Low98 Ų9890.4 Ų90.452%0.52447%0.471SS..Hα-helixtrans-62.9-32.4176.7-48.772000112.9M1 V2 T7 N8M1-N4 PolarHBondContact N-OD1 3.25Å; M1-N4 PolarHBondContact O-N 3.4Å; V2-N4 PolarHBondContact O-N 3.25Å; N4-T7 WeakPolarHBondContact CA-OG1 3.41Å; N4-T7 PolarHBondContact O-OG1 3.46Å; N4-T7 VanDerWaalsContact O-OG1 3.12Å; N4-N8 WeakPolarHBondContact O-CB 3.43Å; N4-N8 PolarHBondContact O-N 3.38Å; N4-N8 PolarHBondContact O-OD1 3.11Å
5F65.4Low55.5Low13 Ų1390.9 Ų90.96%0.05747%0.473CS..Hα-helixtrans-66.4-44.8176.2176.8-92.9000110.6M1 V2 A3 N8 L9 I29 Q32 L33 L36 F49 L53M1-F5 WeakPolarHBondContact O-CB 3.47Å; M1-F5 PolarHBondContact O-N 2.78Å; V2-F5 WeakPolarHBondContact O-CB 3.49Å; V2-F5 PolarHBondContact O-N 3.44Å; A3-F5 VanDerWaalsContact C-N 3.28Å; A3-F5 PolarHBondContact O-N 3.06Å; F5-N8 PolarHBondContact O-N 2.88Å; F5-L9 HydrophobicContact CD1-CD1 3.75Å; F5-L9 HydrophobicContact CE1-CD1 3.52Å; F5-L9 HydrophobicContact CE1-CG 4.48Å; F5-L9 HydrophobicContact CZ-CD1 4.19Å; F5-L9 WeakPolarHBondContact O-CB 3.37Å; F5-L9 WeakPolarHBondContact O-CG 3.45Å; F5-L9 PolarHBondContact O-N 3.16Å; F5-I29 HydrophobicContact CZ-CG2 4.39Å; F5-Q32 HydrophobicContact CD2-CB 4.21Å; F5-Q32 HydrophobicContact CD2-CG 3.33Å; F5-Q32 HydrophobicContact CE2-CB 3.58Å; F5-Q32 HydrophobicContact CE2-CG 3.22Å; F5-Q32 HydrophobicContact CG-CG 4.13Å; F5-Q32 HydrophobicContact CZ-CB 3.97Å; F5-Q32 HydrophobicContact CZ-CG 3.94Å; F5-Q32 PolarHBondContact O-NE2 2.95Å; F5-L33 HydrophobicContact CE2-CD2 3.66Å; F5-L33 HydrophobicContact CE2-CG 3.85Å; F5-L33 HydrophobicContact CZ-CD2 4.04Å; F5-L33 HydrophobicContact CZ-CG 3.98Å; F5-L36 HydrophobicContact CD2-CD1 3.68Å; F5-L36 HydrophobicContact CE2-CD1 4.21Å; F5-F49 HydrophobicContact CE1-CE1 4.07Å; F5-F49 HydrophobicContact CE1-CZ 4.25Å; F5-F49 AromaticContact CZ-CE1 3.93Å; F5-F49 HydrophobicContact CZ-CE1 3.93Å; F5-F49 HydrophobicContact CZ-CZ 4.34Å; F5-L53 HydrophobicContact CE1-CD1 4.01Å
6L63.1Low55.3Low16 Ų1694.5 Ų94.58%0.08449%0.493CS..Hα-helixtrans-67.6-40.3175.7-67.9169.5000112.7V2 A3 L9 F24 W62V2-L6 HydrophobicContact CG1-CD1 4.1Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 3.28Å; A3-L6 PolarHBondContact O-N 3Å; L6-L9 HydrophobicContact CD2-CD1 4.37Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-F24 HydrophobicContact CD2-CE2 3.79Å; L6-F24 HydrophobicContact CD2-CZ 4.02Å; L6-W62 HydrophobicContact CD1-CB 4.1Å; L6-W62 HydrophobicContact CD1-CE3 4.24Å
7T60.8Low54.7Low86 Ų8698.5 Ų98.553%0.52852%0.515SS..Hα-helixtrans-69.5-36.317557.50000112.4A3 N4 L9 R10A3-T7 PolarHBondContact O-N 2.88Å; A3-T7 PolarHBondContact O-OG1 2.91Å; N4-T7 WeakPolarHBondContact CA-OG1 3.41Å; N4-T7 PolarHBondContact O-OG1 3.46Å; N4-T7 VanDerWaalsContact O-OG1 3.12Å; T7-L9 VanDerWaalsContact C-N 3.32Å; T7-R10 VanDerWaalsContact O-O 3.04Å
8N60.6Low54.4Low115 Ų11596.1 Ų96.162%0.61550%0.502SS*.Hα-helixtrans-80.5-13.1179.9-67.411.5000112.9N4 F5 Q32N4-N8 WeakPolarHBondContact O-CB 3.43Å; N4-N8 PolarHBondContact O-N 3.38Å; N4-N8 PolarHBondContact O-OD1 3.11Å; F5-N8 PolarHBondContact O-N 2.88Å; N8-Q32 PolarHBondContact O-NE2 3.03Å
9L62.8Low54.4Low24 Ų2495 Ų9513%0.12650%0.495CS..Hα-helixtrans-69-37.6174.6-93.4162.8000110.7F5 L6 T7 F24 E28 Q32F5-L9 HydrophobicContact CD1-CD1 3.75Å; F5-L9 HydrophobicContact CE1-CD1 3.52Å; F5-L9 HydrophobicContact CE1-CG 4.48Å; F5-L9 HydrophobicContact CZ-CD1 4.19Å; F5-L9 WeakPolarHBondContact O-CB 3.37Å; F5-L9 WeakPolarHBondContact O-CG 3.45Å; F5-L9 PolarHBondContact O-N 3.16Å; L6-L9 HydrophobicContact CD2-CD1 4.37Å; L6-L9 PolarHBondContact O-N 3.41Å; T7-L9 VanDerWaalsContact C-N 3.32Å; L9-F24 HydrophobicContact CB-CE1 3.89Å; L9-F24 HydrophobicContact CD1-CD1 4.13Å; L9-F24 HydrophobicContact CD1-CE1 3.9Å; L9-F24 HydrophobicContact CD1-CZ 4.2Å; L9-F24 HydrophobicContact CG-CE1 4.35Å; L9-E28 HydrophobicContact CD2-CG 3.77Å; L9-Q32 HydrophobicContact CD2-CB 3.78Å; L9-Q32 HydrophobicContact CD2-CG 4.2Å; L9-Q32 HydrophobicContact CG-CB 4.19Å; L9-Q32 HydrophobicContact CG-CG 4.05Å
10R55.5Low54.3Low138 Ų13898.1 Ų98.152%0.52151%0.513SS..SBendtrans-127.1106-177.4-152.6178.8-155.6-153.511.7110.6T7T7-R10 VanDerWaalsContact O-O 3.04Å
11G46.8Very low54.2Low66 Ų6699.5 Ų99.568%0.6852%0.52SS*.  trans-52.9155.7-176.700000114.4
12E52Low55.1Low154 Ų15493.6 Ų93.672%0.7249%0.492SS*.SBendtrans-41.7149.6-174.7-65.1-73162.100115.1
13H51.2Low55.6Low170 Ų17097.6 Ų97.679%0.78751%0.511SS*.SBendtrans77.146.3169.3-47.5-68.1000119.8
14K46.6Very low56.5Low150 Ų15097.1 Ų97.165%0.65251%0.505SS*.  trans-151.448.2152.2-146168.4-172.6179.90115.8I18K14-I18 HydrophobicContact CD-CD1 3.74Å; K14-I18 HydrophobicContact CG-CD1 3.97Å
15I53.7Low57.6Low98 Ų9895.2 Ų95.250%0.50350%0.5SS..  trans-80.1-57.7-166.9-60.5177.6000112.8N17 I18 M19I15-N17 PolarHBondContact O-N 3.01Å; I15-I18 PolarHBondContact O-N 2.84Å; I15-M19 HydrophobicContact CG2-CE 4.1Å; I15-M19 HydrophobicContact CG2-SD 3.89Å; I15-M19 WeakPolarHBondContact O-CG 3.35Å
16D52.6Low58.4Low149 Ų14996.2 Ų96.280%0.79751%0.505SS*.THydrogen-bonded Turntrans-73.97.5-153.6-52.8-23.4000117.8
17N46.3Very low59.3Low162 Ų162100.7 Ų100.787%0.86653%0.525SS*.THydrogen-bonded Turntrans-151.115.8178.8-123.8-42.1000114.6I15I15-N17 PolarHBondContact O-N 3.01Å
18I48.3Very low60.4Low56 Ų5699.7 Ų99.729%0.28752%0.515SS..  trans-140.652.1175.7-40.9178.3000109.5K14 I15 L22K14-I18 HydrophobicContact CD-CD1 3.74Å; K14-I18 HydrophobicContact CG-CD1 3.97Å; I15-I18 PolarHBondContact O-N 2.84Å; I18-L22 VanDerWaalsContact O-CD1 3.26Å; I18-L22 WeakPolarHBondContact O-CD1 3.27Å
19M53.7Low61.7Low75 Ų7594.2 Ų94.237%0.36949%0.485SS..SBendtrans-103.7-18.1-178.7-56.6-169.375.600113.9I15 W62I15-M19 HydrophobicContact CG2-CE 4.1Å; I15-M19 HydrophobicContact CG2-SD 3.89Å; I15-M19 WeakPolarHBondContact O-CG 3.35Å; M19-W62 HydrophobicContact CE-CH2 3.46Å; M19-W62 VanDerWaalsContact CE-CH2 3.46Å; M19-W62 HydrophobicContact CE-CZ2 4.09Å; M19-W62 HydrophobicContact CE-CZ3 4.32Å
20D53.8Low62.8Low157 Ų15797.1 Ų97.184%0.8450%0.498SS*.SBendtrans-93.6-13.3-175.4-57.3-41.9000113.5
21N51.6Low64.2Low127 Ų12796.9 Ų96.968%0.67950%0.503SS*.  trans-117.170.1176.8-66.1-32.9000110.1
22L64.4Low66.1Low30 Ų3094.6 Ų94.616%0.15748%0.475CS..  trans-100.659.4179.1-107.563.4000111.3I18 F24 I57I18-L22 VanDerWaalsContact O-CD1 3.26Å; I18-L22 WeakPolarHBondContact O-CD1 3.27Å; L22-F24 HydrophobicContact CB-CE2 4.01Å; L22-F24 HydrophobicContact CB-CZ 4.46Å; L22-F24 HydrophobicContact CD2-CE2 3.89Å; L22-F24 HydrophobicContact CD2-CZ 3.88Å; L22-F24 HydrophobicContact CG-CE2 3.97Å; L22-F24 HydrophobicContact CG-CZ 3.94Å; L22-F24 WeakPolarHBondContact O-CD2 3.13Å; L22-F24 PolarHBondContact O-N 3.32Å; L22-I57 HydrophobicContact CB-CD1 4.34Å; L22-I57 HydrophobicContact CB-CG2 4.1Å
23D65.8Low67.8Low144 Ų14488.2 Ų88.277%0.7745%0.445SS*.  trans-76.885176.7-69-30.4000111.2
24F74.3Confident69.5Low11 Ų1181.7 Ų81.75%0.04842%0.421CS..  trans-74.4139.8176.4-66.1-70000112.1L6 L9 L22 I29 K50 I57L6-F24 HydrophobicContact CD2-CE2 3.79Å; L6-F24 HydrophobicContact CD2-CZ 4.02Å; L9-F24 HydrophobicContact CB-CE1 3.89Å; L9-F24 HydrophobicContact CD1-CD1 4.13Å; L9-F24 HydrophobicContact CD1-CE1 3.9Å; L9-F24 HydrophobicContact CD1-CZ 4.2Å; L9-F24 HydrophobicContact CG-CE1 4.35Å; L22-F24 HydrophobicContact CB-CE2 4.01Å; L22-F24 HydrophobicContact CB-CZ 4.46Å; L22-F24 HydrophobicContact CD2-CE2 3.89Å; L22-F24 HydrophobicContact CD2-CZ 3.88Å; L22-F24 HydrophobicContact CG-CE2 3.97Å; L22-F24 HydrophobicContact CG-CZ 3.94Å; L22-F24 WeakPolarHBondContact O-CD2 3.13Å; L22-F24 PolarHBondContact O-N 3.32Å; F24-I29 HydrophobicContact CB-CD1 3.93Å; F24-I29 HydrophobicContact CB-CG1 3.95Å; F24-K50 WeakPolarHBondContact O-CE 3.48Å; F24-K50 PolarHBondContact O-NZ 2.97Å; F24-I57 HydrophobicContact CD2-CD1 3.92Å; F24-I57 HydrophobicContact CE2-CD1 3.69Å
25S80.4Confident71.4Confident59 Ų5980.1 Ų80.141%0.41342%0.418SS..  trans-84156.1177.6-150.80000113.1E27 E28 I29S25-E27 WeakPolarHBondContact CB-OE2 3.21Å; S25-E27 PolarHBondContact O-N 3.07Å; S25-E27 PolarHBondContact OG-OE2 2.97Å; S25-E28 PolarHBondContact N-OE2 3.39Å; S25-E28 PolarHBondContact O-N 3.44Å; S25-I29 VanDerWaalsContact O-CG1 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.3Å; S25-I29 PolarHBondContact O-N 3.06Å; S25-I29 VanDerWaalsContact O-N 3.1Å
26E82.3Confident72.9Confident34 Ų3479.3 Ų79.316%0.15942%0.415CS..Hα-helixtrans-55.3-42.2177-176.8178.7141.100110.6Q30 K43 L46E26-Q30 WeakPolarHBondContact O-CB 3.41Å; E26-Q30 PolarHBondContact O-N 2.98Å; E26-K43 IonicContact OE1-NZ 2.83Å; E26-K43 PolarHBondContact OE1-NZ 3.28Å; E26-L46 HydrophobicContact CG-CD2 3.38Å; E26-L46 HydrophobicContact CG-CG 3.82Å
27E82Confident74.4Confident110 Ų11074.6 Ų74.651%0.51440%0.401SS..Hα-helixtrans-69-37.1-178.9-57.673-159.900112.8S25 Q30 Q31S25-E27 WeakPolarHBondContact CB-OE2 3.21Å; S25-E27 PolarHBondContact O-N 3.07Å; S25-E27 PolarHBondContact OG-OE2 2.97Å; E27-Q30 PolarHBondContact O-N 3.38Å; E27-Q31 WeakPolarHBondContact O-CB 3.49Å; E27-Q31 PolarHBondContact O-N 3.21Å
28E84.6Confident76.2Confident65 Ų6573.2 Ų73.230%0.30439%0.385SS..Hα-helixtrans-70.1-45-179.4-165.7-167.6168.700110.3L9 S25 Q30 Q31 Q32L9-E28 HydrophobicContact CD2-CG 3.77Å; S25-E28 PolarHBondContact N-OE2 3.39Å; S25-E28 PolarHBondContact O-N 3.44Å; E28-Q30 VanDerWaalsContact C-N 3.34Å; E28-Q31 PolarHBondContact O-N 2.82Å; E28-Q32 PolarHBondContact O-N 2.79Å
29I86.2Confident77.8Confident0 Ų077.9 Ų77.90%040%0.403CS..Hα-helixtrans-60.3-45171.5-62.9168.6000109.8F5 F24 S25 Q31 Q32 L33 L46 F49 K50 L53F5-I29 HydrophobicContact CZ-CG2 4.39Å; F24-I29 HydrophobicContact CB-CD1 3.93Å; F24-I29 HydrophobicContact CB-CG1 3.95Å; S25-I29 VanDerWaalsContact O-CG1 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.3Å; S25-I29 PolarHBondContact O-N 3.06Å; S25-I29 VanDerWaalsContact O-N 3.1Å; I29-Q31 PolarHBondContact O-N 2.81Å; I29-Q32 PolarHBondContact O-N 2.99Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.49Å; I29-L33 WeakPolarHBondContact O-CB 3.36Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.24Å; I29-L33 PolarHBondContact O-N 3.04Å; I29-L46 HydrophobicContact CB-CD1 4.3Å; I29-L46 HydrophobicContact CG2-CD1 3.68Å; I29-F49 HydrophobicContact CG2-CD1 3.62Å; I29-F49 HydrophobicContact CG2-CE1 3.75Å; I29-K50 HydrophobicContact CD1-CB 3.86Å; I29-K50 HydrophobicContact CD1-CD 4.18Å; I29-K50 HydrophobicContact CD1-CG 4.03Å; I29-L53 HydrophobicContact CD1-CD1 4.31Å; I29-L53 HydrophobicContact CG1-CD1 4.48Å
30Q86.2Confident79.2Confident84 Ų8480.9 Ų80.939%0.39343%0.425SS..Hα-helixtrans-61.6-42.9176.7-168179.8-2100112.3E26 E27 E28 L33 A34 L46E26-Q30 WeakPolarHBondContact O-CB 3.41Å; E26-Q30 PolarHBondContact O-N 2.98Å; E27-Q30 PolarHBondContact O-N 3.38Å; E28-Q30 VanDerWaalsContact C-N 3.34Å; Q30-L33 PolarHBondContact O-N 3.43Å; Q30-A34 VanDerWaalsContact O-CB 3.31Å; Q30-A34 WeakPolarHBondContact O-CB 3.32Å; Q30-A34 PolarHBondContact O-N 3.28Å; Q30-L46 HydrophobicContact CB-CD1 4.41Å; Q30-L46 HydrophobicContact CB-CD2 3.84Å; Q30-L46 HydrophobicContact CG-CD2 4.18Å
31Q85.3Confident80.6Confident134 Ų13475.5 Ų75.563%0.62640%0.396SS*.Hα-helixtrans-62.6-45.9179.2-177.6174.3-3.300111E27 E28 I29 A34 I35E27-Q31 WeakPolarHBondContact O-CB 3.49Å; E27-Q31 PolarHBondContact O-N 3.21Å; E28-Q31 PolarHBondContact O-N 2.82Å; I29-Q31 PolarHBondContact O-N 2.81Å; Q31-A34 PolarHBondContact O-N 3.42Å; Q31-I35 HydrophobicContact CG-CD1 4.35Å; Q31-I35 WeakPolarHBondContact O-CG1 3.43Å; Q31-I35 PolarHBondContact O-N 2.92Å
32Q86.5Confident82.4Confident18 Ų1872.8 Ų72.88%0.08439%0.386CS..Hα-helixtrans-67.1-37.7177.7-168.674.7-70.600112.3F5 N8 L9 E28 I29 A34 I35 L36F5-Q32 HydrophobicContact CD2-CB 4.21Å; F5-Q32 HydrophobicContact CD2-CG 3.33Å; F5-Q32 HydrophobicContact CE2-CB 3.58Å; F5-Q32 HydrophobicContact CE2-CG 3.22Å; F5-Q32 HydrophobicContact CG-CG 4.13Å; F5-Q32 HydrophobicContact CZ-CB 3.97Å; F5-Q32 HydrophobicContact CZ-CG 3.94Å; F5-Q32 PolarHBondContact O-NE2 2.95Å; N8-Q32 PolarHBondContact O-NE2 3.03Å; L9-Q32 HydrophobicContact CD2-CB 3.78Å; L9-Q32 HydrophobicContact CD2-CG 4.2Å; L9-Q32 HydrophobicContact CG-CB 4.19Å; L9-Q32 HydrophobicContact CG-CG 4.05Å; E28-Q32 PolarHBondContact O-N 2.79Å; I29-Q32 PolarHBondContact O-N 2.99Å; Q32-A34 VanDerWaalsContact C-N 3.35Å; Q32-I35 WeakPolarHBondContact O-CB 3.2Å; Q32-I35 PolarHBondContact O-N 2.78Å; Q32-L36 PolarHBondContact O-N 3.19Å
33L88.1Confident83.4Confident19 Ų1977.9 Ų77.910%0.09941%0.406CS..Hα-helixtrans-67-35.7174-70.5171.7000112F5 I29 Q30 L36 G37 Y38 I41 L46 F49F5-L33 HydrophobicContact CE2-CD2 3.66Å; F5-L33 HydrophobicContact CE2-CG 3.85Å; F5-L33 HydrophobicContact CZ-CD2 4.04Å; F5-L33 HydrophobicContact CZ-CG 3.98Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.49Å; I29-L33 WeakPolarHBondContact O-CB 3.36Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.24Å; I29-L33 PolarHBondContact O-N 3.04Å; Q30-L33 PolarHBondContact O-N 3.43Å; L33-L36 CarbonylContact O-C 3.41Å; L33-L36 WeakPolarHBondContact O-CA 3.27Å; L33-L36 PolarHBondContact O-N 2.95Å; L33-G37 PolarHBondContact O-N 3.39Å; L33-G37 VanDerWaalsContact O-N 3.14Å; L33-Y38 HydrophobicContact CD2-CD2 4.49Å; L33-Y38 WeakPolarHBondContact O-CA 3.47Å; L33-Y38 WeakPolarHBondContact O-CB 3.49Å; L33-Y38 PolarHBondContact O-N 3.05Å; L33-I41 HydrophobicContact CB-CD1 3.69Å; L33-I41 HydrophobicContact CD1-CD1 3.47Å; L33-I41 VanDerWaalsContact CD1-CD1 3.47Å; L33-I41 HydrophobicContact CG-CD1 4.13Å; L33-L46 HydrophobicContact CD1-CD1 3.95Å; L33-F49 HydrophobicContact CD1-CD1 3.8Å; L33-F49 HydrophobicContact CD1-CE1 3.77Å; L33-F49 HydrophobicContact CD2-CE1 4.16Å; L33-F49 HydrophobicContact CD2-CZ 4.45Å; L33-F49 HydrophobicContact CG-CE1 4.31Å
34A86.7Confident84.4Confident33 Ų3376 Ų7627%0.27339%0.393SS..Hα-helixtrans-67.6-33.4173.200000113Q30 Q31 Q32 G37 K39Q30-A34 VanDerWaalsContact O-CB 3.31Å; Q30-A34 WeakPolarHBondContact O-CB 3.32Å; Q30-A34 PolarHBondContact O-N 3.28Å; Q31-A34 PolarHBondContact O-N 3.42Å; Q32-A34 VanDerWaalsContact C-N 3.35Å; A34-G37 WeakPolarHBondContact O-CA 2.99Å; A34-G37 PolarHBondContact O-N 2.88Å; A34-G37 VanDerWaalsContact O-N 3.07Å; A34-K39 HydrophobicContact CB-CG 4.18Å
35I86.4Confident85Confident118 Ų11882 Ų8261%0.60542%0.415SS*.Hα-helixtrans-64.5-39.5169.8-71.1165000110.7Q31 Q32 G37Q31-I35 HydrophobicContact CG-CD1 4.35Å; Q31-I35 WeakPolarHBondContact O-CG1 3.43Å; Q31-I35 PolarHBondContact O-N 2.92Å; Q32-I35 WeakPolarHBondContact O-CB 3.2Å; Q32-I35 PolarHBondContact O-N 2.78Å; I35-G37 PolarHBondContact O-N 2.9Å
36L84.7Confident85.4Confident81 Ų8179.3 Ų79.342%0.42440%0.396SS..THydrogen-bonded Turntrans-73.32.1170.1-66.8-176000114.2F5 Q32 L33 Y38F5-L36 HydrophobicContact CD2-CD1 3.68Å; F5-L36 HydrophobicContact CE2-CD1 4.21Å; Q32-L36 PolarHBondContact O-N 3.19Å; L33-L36 CarbonylContact O-C 3.41Å; L33-L36 WeakPolarHBondContact O-CA 3.27Å; L33-L36 PolarHBondContact O-N 2.95Å; L36-Y38 HydrophobicContact CB-CD2 3.95Å; L36-Y38 HydrophobicContact CB-CE2 4.19Å
37G85.8Confident85.6Confident50 Ų5081.5 Ų81.552%0.51541%0.408SS..THydrogen-bonded Turntrans95.3-8176.200000115.8L33 A34 I35 K39L33-G37 PolarHBondContact O-N 3.39Å; L33-G37 VanDerWaalsContact O-N 3.14Å; A34-G37 WeakPolarHBondContact O-CA 2.99Å; A34-G37 PolarHBondContact O-N 2.88Å; A34-G37 VanDerWaalsContact O-N 3.07Å; I35-G37 PolarHBondContact O-N 2.9Å; G37-K39 VanDerWaalsContact C-N 3.33Å; G37-K39 PolarHBondContact O-N 2.95Å
38Y83.4Confident86Confident133 Ų13379.9 Ų79.952%0.52240%0.401SS..  trans-82.572.2180-58.7-83.5000111.6L33 L36L33-Y38 HydrophobicContact CD2-CD2 4.49Å; L33-Y38 WeakPolarHBondContact O-CA 3.47Å; L33-Y38 WeakPolarHBondContact O-CB 3.49Å; L33-Y38 PolarHBondContact O-N 3.05Å; L36-Y38 HydrophobicContact CB-CD2 3.95Å; L36-Y38 HydrophobicContact CB-CE2 4.19Å
39K81.8Confident86.2Confident154 Ų15480 Ų8067%0.6740%0.401SS*.  trans-81.9-13.7-172-60.7-178.6-176.5-177.10115A34 G37A34-K39 HydrophobicContact CB-CG 4.18Å; G37-K39 VanDerWaalsContact C-N 3.33Å; G37-K39 PolarHBondContact O-N 2.95Å
40T82.6Confident86.3Confident137 Ų13782.6 Ų82.684%0.8441%0.412SS*.  trans-126.266-173.655.40000111.3
41I83.5Confident86.4Confident45 Ų4584.8 Ų84.823%0.23142%0.422CS..  trans-96.8125.1176.4-60.7167.8000109L33 R45 L46L33-I41 HydrophobicContact CB-CD1 3.69Å; L33-I41 HydrophobicContact CD1-CD1 3.47Å; L33-I41 VanDerWaalsContact CD1-CD1 3.47Å; L33-I41 HydrophobicContact CG-CD1 4.13Å; I41-R45 HydrophobicContact CG2-CB 3.95Å; I41-L46 HydrophobicContact CG2-CB 4.02Å
42P90.1Very high86.5Confident70 Ų7083.7 Ų83.746%0.45542%0.421SS..  trans-65138.5171.5-21.133.5000111.4H44 R45 L46P42-H44 PolarHBondContact O-N 2.9Å; P42-R45 WeakPolarHBondContact O-CB 3.34Å; P42-R45 PolarHBondContact O-N 2.92Å; P42-L46 PolarHBondContact O-N 3.34Å
43K86.1Confident86.5Confident136 Ų13683.1 Ų83.159%0.59142%0.418SS*.Hα-helixtrans-50.1-38.6-176.5-70.4-168.7161.9-103.80114.5E26 R45 L46 L47E26-K43 IonicContact OE1-NZ 2.83Å; E26-K43 PolarHBondContact OE1-NZ 3.28Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 3.27Å; K43-L46 WeakPolarHBondContact O-CB 3.32Å; K43-L46 PolarHBondContact O-N 3.02Å; K43-L46 VanDerWaalsContact O-N 3.12Å; K43-L47 WeakPolarHBondContact O-CG 3.43Å; K43-L47 PolarHBondContact O-N 3.1Å
44H86.7Confident86.3Confident106 Ų10683.8 Ų83.849%0.49142%0.422SS..Hα-helixtrans-59.9-39.8176.969.6-95.2000112.8P42 L46 L47 E48P42-H44 PolarHBondContact O-N 2.9Å; H44-L46 VanDerWaalsContact C-N 3.34Å; H44-L47 PolarHBondContact O-N 3.15Å; H44-E48 IonicContact CD2-OE1 3.55Å; H44-E48 VanDerWaalsContact O-CG 3.29Å; H44-E48 WeakPolarHBondContact O-CG 3.44Å; H44-E48 PolarHBondContact O-N 3.29Å
45R86.8Confident86.2Confident137 Ų13786.9 Ų86.952%0.51743%0.431SS..Hα-helixtrans-70.7-30.2175.4-64.7-50.4-170.4159.42113.1I41 P42 K43 E48 F49I41-R45 HydrophobicContact CG2-CB 3.95Å; P42-R45 WeakPolarHBondContact O-CB 3.34Å; P42-R45 PolarHBondContact O-N 2.92Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 3.27Å; R45-E48 WeakPolarHBondContact CD-OE2 3.44Å; R45-E48 IonicContact CZ-OE2 2.67Å; R45-E48 IonicContact NE-OE2 3.74Å; R45-E48 IonicContact NH1-OE1 3.92Å; R45-E48 IonicContact NH1-OE2 3.6Å; R45-E48 PolarHBondContact NH1-OE2 3.04Å; R45-F49 VanDerWaalsContact O-CB 3.24Å; R45-F49 WeakPolarHBondContact O-CB 3.38Å; R45-F49 PolarHBondContact O-N 3.12Å
46L88.1Confident86Confident2 Ų283.2 Ų83.21%0.0141%0.412CS..Hα-helixtrans-72.5-37.3176-170.361000111.2E26 I29 Q30 L33 I41 P42 K43 H44 K50E26-L46 HydrophobicContact CG-CD2 3.38Å; E26-L46 HydrophobicContact CG-CG 3.82Å; I29-L46 HydrophobicContact CB-CD1 4.3Å; I29-L46 HydrophobicContact CG2-CD1 3.68Å; Q30-L46 HydrophobicContact CB-CD1 4.41Å; Q30-L46 HydrophobicContact CB-CD2 3.84Å; Q30-L46 HydrophobicContact CG-CD2 4.18Å; L33-L46 HydrophobicContact CD1-CD1 3.95Å; I41-L46 HydrophobicContact CG2-CB 4.02Å; P42-L46 PolarHBondContact O-N 3.34Å; K43-L46 WeakPolarHBondContact O-CB 3.32Å; K43-L46 PolarHBondContact O-N 3.02Å; K43-L46 VanDerWaalsContact O-N 3.12Å; H44-L46 VanDerWaalsContact C-N 3.34Å; L46-K50 WeakPolarHBondContact O-CB 3.43Å; L46-K50 PolarHBondContact O-N 3.45Å
47L86.9Confident85.9Confident79 Ų7980.4 Ų80.441%0.41440%0.397SS..Hα-helixtrans-69-43.6172.6-70.1168.9000112.4K43 H44 K50 Q51K43-L47 WeakPolarHBondContact O-CG 3.43Å; K43-L47 PolarHBondContact O-N 3.1Å; H44-L47 PolarHBondContact O-N 3.15Å; L47-K50 PolarHBondContact O-N 3.35Å; L47-Q51 WeakPolarHBondContact O-CG 3.39Å; L47-Q51 PolarHBondContact O-N 3.19Å
48E89.4Confident85.7Confident77 Ų7785.7 Ų85.736%0.3640%0.402SS..Hα-helixtrans-55.1-51.7169.9-73.7164.9-155.200110.8H44 R45 K50 Q51 D52H44-E48 IonicContact CD2-OE1 3.55Å; H44-E48 VanDerWaalsContact O-CG 3.29Å; H44-E48 WeakPolarHBondContact O-CG 3.44Å; H44-E48 PolarHBondContact O-N 3.29Å; R45-E48 WeakPolarHBondContact CD-OE2 3.44Å; R45-E48 IonicContact CZ-OE2 2.67Å; R45-E48 IonicContact NE-OE2 3.74Å; R45-E48 IonicContact NH1-OE1 3.92Å; R45-E48 IonicContact NH1-OE2 3.6Å; R45-E48 PolarHBondContact NH1-OE2 3.04Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.13Å; E48-Q51 PolarHBondContact O-N 3.47Å; E48-Q51 VanDerWaalsContact O-N 3.09Å; E48-D52 PolarHBondContact O-N 3.3Å
49F89.4Confident85.2Confident67 Ų6785 Ų8529%0.29440%0.403SS..Hα-helixtrans-64.5-33.3-179.7-177.4-111.4000113.1F5 I29 L33 R45 L53F5-F49 HydrophobicContact CE1-CE1 4.07Å; F5-F49 HydrophobicContact CE1-CZ 4.25Å; F5-F49 AromaticContact CZ-CE1 3.93Å; F5-F49 HydrophobicContact CZ-CE1 3.93Å; F5-F49 HydrophobicContact CZ-CZ 4.34Å; I29-F49 HydrophobicContact CG2-CD1 3.62Å; I29-F49 HydrophobicContact CG2-CE1 3.75Å; L33-F49 HydrophobicContact CD1-CD1 3.8Å; L33-F49 HydrophobicContact CD1-CE1 3.77Å; L33-F49 HydrophobicContact CD2-CE1 4.16Å; L33-F49 HydrophobicContact CD2-CZ 4.45Å; L33-F49 HydrophobicContact CG-CE1 4.31Å; R45-F49 VanDerWaalsContact O-CB 3.24Å; R45-F49 WeakPolarHBondContact O-CB 3.38Å; R45-F49 PolarHBondContact O-N 3.12Å; F49-L53 HydrophobicContact CD1-CD1 3.98Å; F49-L53 HydrophobicContact CD1-CG 4.49Å; F49-L53 HydrophobicContact CE1-CD1 3.52Å; F49-L53 HydrophobicContact CE1-CG 4.15Å; F49-L53 HydrophobicContact CE2-CG 4.38Å; F49-L53 HydrophobicContact CZ-CD1 3.87Å; F49-L53 HydrophobicContact CZ-CD2 4.24Å; F49-L53 HydrophobicContact CZ-CG 4.09Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-L53 WeakPolarHBondContact O-CG 3.29Å; F49-L53 PolarHBondContact O-N 3.22Å
50K88.5Confident84.7Confident55 Ų5578.1 Ų78.124%0.23938%0.376CS..Hα-helixtrans-62.9-48.3169.6172.5165175.21620111.1F24 I29 L46 L47 E48 D52 L53 D54F24-K50 WeakPolarHBondContact O-CE 3.48Å; F24-K50 PolarHBondContact O-NZ 2.97Å; I29-K50 HydrophobicContact CD1-CB 3.86Å; I29-K50 HydrophobicContact CD1-CD 4.18Å; I29-K50 HydrophobicContact CD1-CG 4.03Å; L46-K50 WeakPolarHBondContact O-CB 3.43Å; L46-K50 PolarHBondContact O-N 3.45Å; L47-K50 PolarHBondContact O-N 3.35Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.13Å; K50-D52 VanDerWaalsContact C-N 3.31Å; K50-D52 PolarHBondContact O-N 2.92Å; K50-L53 PolarHBondContact O-N 2.97Å; K50-L53 VanDerWaalsContact O-N 3.12Å; K50-D54 WeakPolarHBondContact CE-OD2 3.4Å; K50-D54 WeakPolarHBondContact CG-OD2 3.27Å; K50-D54 WeakPolarHBondContact O-CB 3.25Å; K50-D54 PolarHBondContact O-N 3.36Å
51Q88Confident83.9Confident129 Ų12976.6 Ų76.660%0.60336%0.359SS*.Hα-helixtrans-59.9-41.4179.4-70.9173.47.900112L47 E48 D54 E55L47-Q51 WeakPolarHBondContact O-CG 3.39Å; L47-Q51 PolarHBondContact O-N 3.19Å; E48-Q51 PolarHBondContact O-N 3.47Å; E48-Q51 VanDerWaalsContact O-N 3.09Å; Q51-D54 PolarHBondContact O-N 3.24Å; Q51-E55 WeakPolarHBondContact O-CB 3.43Å; Q51-E55 PolarHBondContact O-N 2.96Å
52D87.2Confident83.1Confident112 Ų11276.9 Ų76.960%0.59936%0.358SS*.Hα-helixtrans-61.9-41.8173.7-77.1-8.8000112.3E48 K50 L56E48-D52 PolarHBondContact O-N 3.3Å; K50-D52 VanDerWaalsContact C-N 3.31Å; K50-D52 PolarHBondContact O-N 2.92Å; D52-L56 VanDerWaalsContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CB 3.41Å; D52-L56 PolarHBondContact O-N 2.89Å
53L86.3Confident81.7Confident6 Ų680.3 Ų80.33%0.03137%0.365CS..Hα-helixtrans-66.8-49176.1-76.7177.9000111.7V2 F5 I29 F49 K50 E55 L56 I57V2-L53 HydrophobicContact CG1-CD2 4.49Å; F5-L53 HydrophobicContact CE1-CD1 4.01Å; I29-L53 HydrophobicContact CD1-CD1 4.31Å; I29-L53 HydrophobicContact CG1-CD1 4.48Å; F49-L53 HydrophobicContact CD1-CD1 3.98Å; F49-L53 HydrophobicContact CD1-CG 4.49Å; F49-L53 HydrophobicContact CE1-CD1 3.52Å; F49-L53 HydrophobicContact CE1-CG 4.15Å; F49-L53 HydrophobicContact CE2-CG 4.38Å; F49-L53 HydrophobicContact CZ-CD1 3.87Å; F49-L53 HydrophobicContact CZ-CD2 4.24Å; F49-L53 HydrophobicContact CZ-CG 4.09Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-L53 WeakPolarHBondContact O-CG 3.29Å; F49-L53 PolarHBondContact O-N 3.22Å; K50-L53 PolarHBondContact O-N 2.97Å; K50-L53 VanDerWaalsContact O-N 3.12Å; L53-E55 PolarHBondContact O-N 3.27Å; L53-L56 WeakPolarHBondContact O-CB 3.48Å; L53-L56 PolarHBondContact O-N 2.97Å; L53-L56 VanDerWaalsContact O-N 3.14Å; L53-I57 WeakPolarHBondContact O-CB 3.24Å; L53-I57 WeakPolarHBondContact O-CD1 3.47Å; L53-I57 WeakPolarHBondContact O-CG1 3.44Å; L53-I57 PolarHBondContact O-N 3.2Å
54D83.3Confident80.5Confident33 Ų3379.1 Ų79.118%0.17637%0.366CS..Hα-helixtrans-57.1-40.5177.4-63.3-16.1000109.9K50 Q51 I57 R58K50-D54 WeakPolarHBondContact CE-OD2 3.4Å; K50-D54 WeakPolarHBondContact CG-OD2 3.27Å; K50-D54 WeakPolarHBondContact O-CB 3.25Å; K50-D54 PolarHBondContact O-N 3.36Å; Q51-D54 PolarHBondContact O-N 3.24Å; D54-I57 PolarHBondContact O-N 3Å; D54-R58 WeakPolarHBondContact O-CB 3.39Å; D54-R58 VanDerWaalsContact O-CG 3.23Å; D54-R58 WeakPolarHBondContact O-CG 3.39Å; D54-R58 PolarHBondContact O-N 3.33Å
55E85.2Confident79.1Confident98 Ų9878.9 Ų78.946%0.45837%0.367SS..Hα-helixtrans-66.1-45.8174.4-170.8156.7133.600113.4Q51 L53 I57 R58 H59Q51-E55 WeakPolarHBondContact O-CB 3.43Å; Q51-E55 PolarHBondContact O-N 2.96Å; L53-E55 PolarHBondContact O-N 3.27Å; E55-I57 PolarHBondContact O-N 2.99Å; E55-R58 VanDerWaalsContact CB-NH2 3.34Å; E55-R58 PolarHBondContact O-N 3.29Å; E55-R58 IonicContact OE2-NH2 3.35Å; E55-R58 PolarHBondContact OE2-NH2 2.95Å; E55-H59 PolarHBondContact O-CD2 3.21Å; E55-H59 VanDerWaalsContact O-CD2 3.32Å; E55-H59 PolarHBondContact O-N 3.48Å
56L83.5Confident77.2Confident40 Ų4074.9 Ų74.921%0.20936%0.363CS..Hα-helixtrans-58.6-38.4176.9-168.279.4000111.5V2 D52 L53 G60 Q61 W62 L65V2-L56 HydrophobicContact CG1-CD2 3.98Å; D52-L56 VanDerWaalsContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CB 3.41Å; D52-L56 PolarHBondContact O-N 2.89Å; L53-L56 WeakPolarHBondContact O-CB 3.48Å; L53-L56 PolarHBondContact O-N 2.97Å; L53-L56 VanDerWaalsContact O-N 3.14Å; L56-G60 PolarHBondContact O-N 3.15Å; L56-Q61 HydrophobicContact CD1-CB 3.85Å; L56-Q61 HydrophobicContact CG-CB 4.49Å; L56-Q61 PolarHBondContact O-N 2.93Å; L56-Q61 VanDerWaalsContact O-N 3.07Å; L56-W62 HydrophobicContact CD2-CB 3.98Å; L56-W62 HydrophobicContact CG-CB 4.15Å; L56-L65 HydrophobicContact CD2-CD1 4.46Å
57I81.8Confident75Confident23 Ų2378 Ų7812%0.11839%0.386CS..Hα-helixtrans-68.8-55.2176.9-67.2159.7000110.3L22 F24 L53 D54 E55 H59 G60L22-I57 HydrophobicContact CB-CD1 4.34Å; L22-I57 HydrophobicContact CB-CG2 4.1Å; F24-I57 HydrophobicContact CD2-CD1 3.92Å; F24-I57 HydrophobicContact CE2-CD1 3.69Å; L53-I57 WeakPolarHBondContact O-CB 3.24Å; L53-I57 WeakPolarHBondContact O-CD1 3.47Å; L53-I57 WeakPolarHBondContact O-CG1 3.44Å; L53-I57 PolarHBondContact O-N 3.2Å; D54-I57 PolarHBondContact O-N 3Å; E55-I57 PolarHBondContact O-N 2.99Å; I57-H59 VanDerWaalsContact C-N 3.31Å; I57-H59 PolarHBondContact O-N 3.05Å; I57-G60 WeakPolarHBondContact O-CA 3.34Å; I57-G60 PolarHBondContact O-N 3.49Å
58R80.6Confident73Confident160 Ų16080.7 Ų80.760%0.60441%0.408SS*.Hα-helixtrans-52.5-44.5178-76-175.4-50.5-108.46.5112.9D54 E55 G60D54-R58 WeakPolarHBondContact O-CB 3.39Å; D54-R58 VanDerWaalsContact O-CG 3.23Å; D54-R58 WeakPolarHBondContact O-CG 3.39Å; D54-R58 PolarHBondContact O-N 3.33Å; E55-R58 VanDerWaalsContact CB-NH2 3.34Å; E55-R58 PolarHBondContact O-N 3.29Å; E55-R58 IonicContact OE2-NH2 3.35Å; E55-R58 PolarHBondContact OE2-NH2 2.95Å; R58-G60 PolarHBondContact O-N 3.15Å
59H74.1Confident70.6Confident118 Ų11887.5 Ų87.555%0.54643%0.43SS..THydrogen-bonded Turntrans-81.5-0.6178.7-69.7-61.4000114E55 I57 Q61E55-H59 PolarHBondContact O-CD2 3.21Å; E55-H59 VanDerWaalsContact O-CD2 3.32Å; E55-H59 PolarHBondContact O-N 3.48Å; I57-H59 VanDerWaalsContact C-N 3.31Å; I57-H59 PolarHBondContact O-N 3.05Å; H59-Q61 HydrophobicContact CB-CG 3.84Å; H59-Q61 PolarHBondContact O-N 3.34Å; H59-Q61 VanDerWaalsContact O-N 3.16Å
60G71.2Confident68.3Low11 Ų1190 Ų9011%0.11344%0.443CS..THydrogen-bonded Turntrans56.432.5-179.500000112.7L56 I57 R58 K63L56-G60 PolarHBondContact O-N 3.15Å; I57-G60 WeakPolarHBondContact O-CA 3.34Å; I57-G60 PolarHBondContact O-N 3.49Å; R58-G60 PolarHBondContact O-N 3.15Å; G60-K63 WeakPolarHBondContact O-CE 3.44Å; G60-K63 WeakPolarHBondContact O-CG 3.24Å
61Q65.7Low65.8Low104 Ų10494.2 Ų94.249%0.48647%0.466SS..  trans-81.2-26.6-179-62.8-166.244.500111.4L56 H59 K63 N64L56-Q61 HydrophobicContact CD1-CB 3.85Å; L56-Q61 HydrophobicContact CG-CB 4.49Å; L56-Q61 PolarHBondContact O-N 2.93Å; L56-Q61 VanDerWaalsContact O-N 3.07Å; H59-Q61 HydrophobicContact CB-CG 3.84Å; H59-Q61 PolarHBondContact O-N 3.34Å; H59-Q61 VanDerWaalsContact O-N 3.16Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 2.96Å; Q61-N64 VanDerWaalsContact O-CB 3.32Å; Q61-N64 WeakPolarHBondContact O-CB 3.48Å; Q61-N64 PolarHBondContact O-N 2.72Å
62W66.8Low63.2Low52 Ų5290.6 Ų90.620%0.19746%0.455CS..THydrogen-bonded Turntrans-57.2-35.5178.463.5-79000114.5L6 M19 L56 N64 L65 A66L6-W62 HydrophobicContact CD1-CB 4.1Å; L6-W62 HydrophobicContact CD1-CE3 4.24Å; M19-W62 HydrophobicContact CE-CH2 3.46Å; M19-W62 VanDerWaalsContact CE-CH2 3.46Å; M19-W62 HydrophobicContact CE-CZ2 4.09Å; M19-W62 HydrophobicContact CE-CZ3 4.32Å; L56-W62 HydrophobicContact CD2-CB 3.98Å; L56-W62 HydrophobicContact CG-CB 4.15Å; W62-N64 PolarHBondContact O-N 3.25Å; W62-L65 CarbonylContact O-C 3.56Å; W62-L65 WeakPolarHBondContact O-CA 3.18Å; W62-L65 WeakPolarHBondContact O-CB 3.44Å; W62-L65 PolarHBondContact O-N 3.27Å; W62-A66 PolarHBondContact O-N 3.07Å
63K61Low61.1Low141 Ų14192.3 Ų92.361%0.61346%0.463SS*.Hα-helixtrans-60.7-28.2173.748.2176.9173.7-165.80113.5G60 Q61 L65 S67G60-K63 WeakPolarHBondContact O-CE 3.44Å; G60-K63 WeakPolarHBondContact O-CG 3.24Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 2.96Å; K63-L65 VanDerWaalsContact C-N 3.27Å; K63-L65 PolarHBondContact O-N 3.07Å; K63-S67 PolarHBondContact O-N 2.91Å
64N60.1Low58.7Low112 Ų11299.9 Ų99.960%0.59950%0.498SS*.Hα-helixtrans-75-17.6173.5-54.4-45.2000112.8Q61 W62Q61-N64 VanDerWaalsContact O-CB 3.32Å; Q61-N64 WeakPolarHBondContact O-CB 3.48Å; Q61-N64 PolarHBondContact O-N 2.72Å; W62-N64 PolarHBondContact O-N 3.25Å
65L57Low56.5Low100 Ų100105.5 Ų105.552%0.52453%0.533SS..Hα-helixtrans-96.1-21.7175.7-55.6177.4000112.5L56 W62 K63L56-L65 HydrophobicContact CD2-CD1 4.46Å; W62-L65 CarbonylContact O-C 3.56Å; W62-L65 WeakPolarHBondContact O-CA 3.18Å; W62-L65 WeakPolarHBondContact O-CB 3.44Å; W62-L65 PolarHBondContact O-N 3.27Å; K63-L65 VanDerWaalsContact C-N 3.27Å; K63-L65 PolarHBondContact O-N 3.07Å
66A48Very low54.2Low53 Ų53112.4 Ų112.444%0.43856%0.555SS.*Hα-helixtrans-83.3-28.2176.900000113.2A3 W62 P68A3-A66 HydrophobicContact CB-CB 3.98Å; W62-A66 PolarHBondContact O-N 3.07Å; A66-P68 WeakPolarHBondContact O-CD 3.19Å
67S41.4Very low51.7Low69 Ų69121.7 Ų121.748%0.48359%0.588SS.*SBendtrans-82.3124.7176.1-167.50000111.8K63 R69K63-S67 PolarHBondContact O-N 2.91Å; S67-R69 PolarHBondContact O-N 3.39Å
68P44.3Very low49.2Very low135 Ų135125.4 Ų125.488%0.87762%0.622SS**  trans-68.213.3176.8-22.335.1000115.8A66A66-P68 WeakPolarHBondContact O-CD 3.19Å
69R39.7Very low46.7Very low220 Ų220121.9 Ų121.983%0.8363%0.627SS**SBendtrans-114.6102.6-174.8-80.8-174.3171.2170.9-0.5113.3S67S67-R69 PolarHBondContact O-N 3.39Å
70H40.5Very low44.8Very low119 Ų119121.2 Ų121.255%0.55164%0.635SS**  trans60.988.8141-172.3-67000116.3S72 F278H70-S72 PolarHBondContact O-N 3.33Å; H70-F278 AromaticContact CD2-CE1 3.94Å
71I37Very low43.6Very low144 Ų144129.9 Ų129.974%0.73867%0.673SS**  trans-57.699.4167.1-62.6170000109.8I73I71-I73 HydrophobicContact CG2-CD1 4.27Å; I71-I73 HydrophobicContact CG2-CG1 3.86Å
72S33.3Very low41.9Very low52 Ų52130.5 Ų130.536%0.36469%0.688SS.*  trans-100.880.3176.4174.60000110.4H70 H74 R280H70-S72 PolarHBondContact O-N 3.33Å; S72-H74 PolarHBondContact O-N 3.38Å; S72-R280 PolarHBondContact OG-NH1 3.16Å; S72-R280 PolarHBondContact OG-NH2 2.91Å
73I42.3Very low40.8Very low149 Ų149133.5 Ų133.576%0.76472%0.718SS**  trans-63.892.4174.6-58.5163.3000109.6I71I71-I73 HydrophobicContact CG2-CD1 4.27Å; I71-I73 HydrophobicContact CG2-CG1 3.86Å
74H36.6Very low40.1Very low165 Ų165134.5 Ų134.576%0.76473%0.729SS**  trans-163.580.8166.8-104.626.7000112S72S72-H74 PolarHBondContact O-N 3.38Å
75T36.9Very low39.2Very low151 Ų151134.3 Ų134.393%0.92673%0.733SS**  trans-140.5137.1151.815.50000108.5
76R36.8Very low38.2Very low242 Ų242134.3 Ų134.391%0.91375%0.748SS**  trans-107.5127.8-172.6-88.8-178.9167.7-169.7-3.8111.2
77R30.5Very low37.6Very low236 Ų236140.7 Ų140.789%0.89176%0.762SS**  64.298.6118.5-168.5-170175.794-3.8119.7
78A29.9Very low38.1Very low101 Ų101142.7 Ų142.784%0.83577%0.772SS**  trans-156.6142.9137.400000106.8
79A28.1Very low37.8Very low86 Ų86143.4 Ų143.471%0.71176%0.761SS**  cis-146.7-179.9-5.700000111
80S34.2Very low37.5Very low104 Ų104139.8 Ų139.873%0.72775%0.753SS**  trans23.2114.1156.552.20000121.8
81Q44.6Very low37.5Very low193 Ų193143 Ų14390%0.90277%0.766SS**  trans49.7111.2133.3-58.7-178.82.700120.4
82S30Very low37.5Very low116 Ų116142.6 Ų142.681%0.81177%0.77SS**  -167.2150107.843.10000111
83S45.2Very low37.4Very low116 Ų116145.1 Ų145.181%0.81179%0.788SS**  trans-101.4126.5173.553.30000109.6
84L45Very low36.9Very low161 Ų161144.6 Ų144.684%0.84379%0.786SS**  trans-129.2154169.1-76.2178.5000111.3
85P42.5Very low36.7Very low108 Ų108141.6 Ų141.670%0.70178%0.783SS**  trans-99.1166.5-149.337.9-37.3000114.4
86A36.3Very low36.4Very low101 Ų101144.2 Ų144.284%0.83578%0.777SS**  trans-69.5130.715900000110.3
87Y34.1Very low36.2Very low187 Ų187139.4 Ų139.473%0.73377%0.77SS**  trans-128.6152.1164-178.5-105.4000110.2K89Y87-K89 HydrophobicContact CE1-CD 4.31Å
88T51.8Low36.3Very low111 Ų111134.5 Ų134.568%0.68176%0.761SS**  trans-127.7134-166.4550000112.2
89K39.1Very low36.3Very low149 Ų149137.2 Ų137.265%0.64876%0.762SS**  trans-160.2152.7159.6-112.5171.5175-98.50108.8Y87Y87-K89 HydrophobicContact CE1-CD 4.31Å
90E33.7Very low36.7Very low144 Ų144138.8 Ų138.867%0.67377%0.768SS**  cis-145.7158.91.1-169134.2-149.600110.9
91K39.4Very low36.7Very low188 Ų188137 Ų13782%0.81777%0.765SS**  trans-105.3138.9172-175.7-175.6178.9-172.60108.8S93K91-S93 PolarHBondContact O-N 3.04Å
92V36.5Very low36.3Very low134 Ų134135.4 Ų135.481%0.81276%0.763SS**  trans-52125.7176.7177.70000111.1
93S31.5Very low36.4Very low106 Ų106132.4 Ų132.474%0.74175%0.751SS**  trans-106.2127.3168.847.30000109.8K91K91-S93 PolarHBondContact O-N 3.04Å
94L31.5Very low35.7Very low138 Ų138136.5 Ų136.572%0.72375%0.754SS**  trans-101.4137.2169.8-140.474.1000108.3Y96L94-Y96 HydrophobicContact CD2-CE2 4.28Å
95S32.3Very low35.3Very low101 Ų101138.5 Ų138.571%0.70676%0.756SS**  trans-85.2130.1-171.553.30000113.5
96Y32.1Very low35Very low206 Ų206140.9 Ų140.981%0.80876%0.762SS**  trans-144167.6159.7-63.7-67000110.9L94L94-Y96 HydrophobicContact CD2-CE2 4.28Å
97N32.6Very low35Very low142 Ų142143.9 Ų143.976%0.75976%0.759SS**  trans-104.3153.5-150.6-77-10.7000117.2
98N32.6Very low34.9Very low132 Ų132142.6 Ų142.671%0.70676%0.757SS**  trans58.4137.7138.6-61.93.3000123
99N30Very low33.9Very low159 Ų159144.4 Ų144.485%0.8576%0.758SS**  trans61.6143.5152.5-57.67.8000117.2
100S34.9Very low33.9Very low119 Ų119143.5 Ų143.583%0.83276%0.764SS**  cis-139.716722.1-1660000112.1
101G34.3Very low34Very low66 Ų66143.7 Ų143.768%0.6878%0.775SS**  trans-100.1128.5175.800000113.5
102D36.3Very low33.4Very low160 Ų160137.8 Ų137.886%0.85677%0.768SS**  trans-168.4152154.6-109.4-30.8000105.3
103G32.6Very low33.5Very low53 Ų53142.3 Ų142.355%0.54677%0.77SS.*  cis165.4161.50.800000108.5
104F30.1Very low33.4Very low201 Ų201144.1 Ų144.188%0.88277%0.772SS**  trans68.7114.1168.7-51.9-78.5000119.5
105F37Very low33.4Very low203 Ų203143 Ų14389%0.8978%0.776SS**  trans-87.5155.7156.5-61.8-108.8000109.8
106L36.9Very low33.4Very low159 Ų159143.3 Ų143.383%0.83277%0.773SS**  trans-174.2120.4133.2-105.6137.8000115.2
107H34.8Very low33.3Very low164 Ų164140.2 Ų140.276%0.75977%0.77SS**  trans43.3104.2141.7-70-117.9000123.5
108K32.2Very low33.2Very low160 Ų160139 Ų13970%0.69677%0.772SS**  4612696.5-171.9173.4175.7-178.70121.9
109E30.9Very low32.8Very low148 Ų148139 Ų13969%0.69277%0.773SS**  trans73.3114152.1-85.5171.2-160.700124.4
110V39.8Very low32.7Very low130 Ų130136.5 Ų136.579%0.78876%0.763SS**  48114.2118.7-178.60000119.8
111T35.3Very low32.5Very low148 Ų148138.7 Ų138.791%0.90876%0.76SS**  -156.7166.2125-2.10000109.6
112G28.2Very low32.3Very low64 Ų64144.9 Ų144.966%0.6677%0.768SS**  trans-161.7161.3171.900000111.8
113R36.8Very low31.8Very low229 Ų229142 Ų14286%0.86476%0.761SS**  trans-170.1137154.3-99-174.4-150.2111.16.6110.5
114D30.2Very low31.7Very low145 Ų145147.9 Ų147.978%0.77577%0.774SS**  trans37.4120.1134.3-38-31.4000120.8
115S31.8Very low31.8Very low114 Ų114147 Ų14780%0.79777%0.773SS**  trans168.4143.7130.8-177.20000110.3
116T31.3Very low31.6Very low107 Ų107144.5 Ų144.566%0.65677%0.768SS**  cis-179.7131.5-15-76.60000105.6
117L30.3Very low31.3Very low142 Ų142142.5 Ų142.574%0.74376%0.762SS**  trans44.4123.3158.9-59.9168.9000122.5
118S30.3Very low31Very low115 Ų115146.1 Ų146.180%0.80477%0.769SS**  -169.5110.3113.2-78.20000109.9
119N24.6Very low31.1Very low133 Ų133144.2 Ų144.271%0.71178%0.776SS**  57.1111.883.4-88-1.5000113.8
120T27.7Very low31.5Very low107 Ų107145.4 Ų145.466%0.65679%0.786SS**  114.4136.690.2-77.80000108.1
121Q31.7Very low31.5Very low164 Ų164144.4 Ų144.477%0.76679%0.785SS**  cis-148.5144.81.3-113.4160.811.600107.6
122K28.5Very low31.7Very low196 Ų196144.1 Ų144.185%0.85279%0.788SS**  65.4153.990.5-68.7-161.4173.7-169.80118.6
123S26.1Very low32.5Very low99 Ų99143.8 Ų143.869%0.69278%0.784SS**  trans71.6107177.9-138.80000114.4
124E30.4Very low32.7Very low177 Ų177139.3 Ų139.383%0.82778%0.777SS**  63.3111.754-56.1-169.8169.200114.4
125H33.8Very low33.5Very low184 Ų184137.4 Ų137.485%0.85278%0.775SS**  trans-168.382.9131.9-101.2-67.3000112.6
126N31.7Very low34.2Very low150 Ų150141.9 Ų141.980%0.80278%0.776SS**  trans45.7144.1131.1-113.5-34.4000125.2
127V30.3Very low35.2Very low116 Ų116139.7 Ų139.770%0.70377%0.768SS**  trans91.7118.9149.6174.20000121.8
128R29.9Very low36.4Very low240 Ų240136.5 Ų136.591%0.90676%0.763SS**  trans49.2121.5154.3-78.4177.1171.3165-2.5120.5
129S33Very low37.3Very low120 Ų120138.4 Ų138.484%0.83976%0.763SS**  -150.6139.292.1-165.90000112.5
130L40.4Very low38.5Very low173 Ų173136.7 Ų136.791%0.90676%0.761SS**  trans-114.3117.1173.8-137.283.5000107.8
131S39.1Very low39.5Very low109 Ų109139 Ų13976%0.76278%0.775SS**  trans166.5105.5149-177.10000110.2G133S131-G133 VanDerWaalsContact C-N 3.28Å; S131-G133 PolarHBondContact O-N 2.97Å
132C39.7Very low40.8Very low143 Ų143133.4 Ų133.497%0.96676%0.761SS**  trans-84.379.6161.1-1680000107.8
133G44.2Very low41.5Very low56 Ų56130.3 Ų130.358%0.57776%0.762SS**  trans-76.7128.2177.800000111.1S131 S135S131-G133 VanDerWaalsContact C-N 3.28Å; S131-G133 PolarHBondContact O-N 2.97Å; G133-S135 PolarHBondContact O-N 2.87Å
134D41.2Very low42.1Very low135 Ų135134.8 Ų134.872%0.72276%0.763SS**  trans-64.3125.4-179.8-165.2-12.7000111.1Y136 A137D134-Y136 PolarHBondContact O-N 3.1Å; D134-A137 PolarHBondContact O-N 3.16Å; D134-A137 VanDerWaalsContact O-N 3.15Å
135S47.3Very low42.9Very low105 Ų105133.5 Ų133.573%0.73476%0.761SS**G310 helixtrans-64.1-18.6-168.3-156.40000113G133 A137 A138G133-S135 PolarHBondContact O-N 2.87Å; S135-A137 VanDerWaalsContact C-N 3.27Å; S135-A137 PolarHBondContact O-N 3.33Å; S135-A138 PolarHBondContact O-N 3.16Å
136Y46.7Very low42.9Very low209 Ų209133.1 Ų133.182%0.8276%0.759SS**G310 helixtrans-65-25.7177.4-151.9-102.6000113.6D134 A138D134-Y136 PolarHBondContact O-N 3.1Å; Y136-A138 VanDerWaalsContact C-N 3.26Å; Y136-A138 PolarHBondContact O-N 3.04Å
137A53.2Low43.1Very low60 Ų60135.2 Ų135.250%0.49676%0.762SS.*G310 helixtrans-77.9-2.9-176.800000114.7D134 S135D134-A137 PolarHBondContact O-N 3.16Å; D134-A137 VanDerWaalsContact O-N 3.15Å; S135-A137 VanDerWaalsContact C-N 3.27Å; S135-A137 PolarHBondContact O-N 3.33Å
138A54Low43.3Very low76 Ų76135.5 Ų135.563%0.62877%0.769SS**G310 helixtrans-78.9-15.3-176.100000114.7S135 Y136S135-A138 PolarHBondContact O-N 3.16Å; Y136-A138 VanDerWaalsContact C-N 3.26Å; Y136-A138 PolarHBondContact O-N 3.04Å
139L50.7Low43.7Very low155 Ų155129.2 Ų129.281%0.81277%0.768SS**G310 helixtrans-113.27.4-169.1-61177.3000114.9V141L139-V141 PolarHBondContact O-N 3.19Å
140S50Low43.6Very low96 Ų96126.8 Ų126.867%0.67176%0.763SS**  trans-76.4110.2179.4-70.10000112.5G142S140-G142 PolarHBondContact O-N 3.22Å
141V47.5Very low43.7Very low156 Ų156123.5 Ų123.595%0.94576%0.76SS**  trans-76.335.9177.4-650000114.3L139L139-V141 PolarHBondContact O-N 3.19Å
142G59.2Low43.9Very low46 Ų46124.1 Ų124.147%0.47476%0.762SS.*SBendtrans-100.5147.8176.400000112.2S140 R144S140-G142 PolarHBondContact O-N 3.22Å; G142-R144 PolarHBondContact O-N 3.48Å
143P43.1Very low43.6Very low132 Ų132125.5 Ų125.586%0.85776%0.759SS**  trans-59.6122.6175.3-22.333.4000111.5L145P143-L145 PolarHBondContact O-N 3.38Å
144R39.2Very low42.9Very low193 Ų193134.4 Ų134.473%0.72878%0.776SS**  trans-79.9109.8176.8-75.1-169.5173.6-155.7-1.7110.6G142G142-R144 PolarHBondContact O-N 3.48Å
145L46.5Very low42.6Very low150 Ų150135.9 Ų135.979%0.78578%0.782SS**  trans-76.9123159.8-65.3176.5000108.7P143 F147P143-L145 PolarHBondContact O-N 3.38Å; L145-F147 PolarHBondContact O-N 3.23Å
146H34.6Very low41.7Very low175 Ų175138.7 Ų138.781%0.8178%0.784SS**  trans-83.7109.9179.1-78.2-115.3000110.3
147F35.8Very low40.9Very low194 Ų194136.1 Ų136.185%0.85178%0.78SS**  trans-85.8121.1163.7-76.1-84.1000109.4L145L145-F147 PolarHBondContact O-N 3.23Å
148S34.1Very low40Very low122 Ų122140.7 Ų140.785%0.85379%0.791SS**  trans-74.7136.9174.4-170.10000110.5
149A38.1Very low39.6Very low108 Ų108142.5 Ų142.589%0.89380%0.796SS**  trans-98.194.617700000110
150G31.7Very low38.6Very low70 Ų70141.7 Ų141.772%0.72279%0.793SS**  trans-166.499.1178.400000112.6
151A41.2Very low37.9Very low103 Ų103142.9 Ų142.985%0.85180%0.796SS**  trans-124.5105.7170.700000108.9
152P44.8Very low37.2Very low123 Ų123143.6 Ų143.680%0.79979%0.789SS**  trans-94.2116.9177.733.2-28.4000111.3
153N31.7Very low36Very low172 Ų172148.3 Ų148.392%0.9280%0.803SS**  trans-102.493.7164.4-100.7-10.8000109.4
154R30.2Very low35.5Very low243 Ų243148.6 Ų148.692%0.91780%0.803SS**  trans-162.7136.8151.4-149.7165-177.4138.80.8112
155L35.4Very low35.3Very low165 Ų165146.7 Ų146.786%0.86481%0.806SS**  trans-83.5143.6173.5-69.9145.3000111.1
156Q29.2Very low34.7Very low164 Ų164147.1 Ų147.177%0.76681%0.809SS**  trans-166.9122.7132.7-105.3-173-8500111.3
157E29.6Very low34.7Very low156 Ų156144.8 Ų144.873%0.72981%0.813SS**  trans45.797.7145.8-66.2156.8126.200120.7
158E33.8Very low34.8Very low156 Ų156143.3 Ų143.373%0.72981%0.813SS**  23150.7114-67-45.1133.200121D160E158-D160 PolarHBondContact OE2-N 3.08Å
159P46.1Very low35.3Very low114 Ų114145.9 Ų145.974%0.7482%0.816SS**  cis-140.7151.536.440.4-21.6000120.8
160D29.1Very low35Very low138 Ų138146.5 Ų146.574%0.73881%0.814SS**  trans36.9130.1137.4-78-46.6000123.2E158E158-D160 PolarHBondContact OE2-N 3.08Å
161T35.8Very low35.2Very low121 Ų121151 Ų15174%0.74282%0.822SS**  trans157.5134143.6330000108.1
162E33.2Very low35.1Very low171 Ų171151.6 Ų151.680%0.79982%0.819SS**  cis-136.2169.27.5-55.9-72.7-172.100110.7
163D33.2Very low34.9Very low144 Ų144156 Ų15677%0.7782%0.821SS**  trans-65.8147.8-177.5-75.8-66.9000117.2
164T33.2Very low35Very low139 Ų139154.1 Ų154.185%0.85382%0.816SS**  -171.6112.1119.8-70.40000109.9
165L35.2Very low35.3Very low153 Ų153148.8 Ų148.880%0.80182%0.816SS**  trans-101.2122.7172.9-72.4170.8000110.9
166D32.3Very low35Very low158 Ų158147 Ų14785%0.84582%0.816SS**  trans-173.3117.5146.1-110.8-25.1000111.7
167S34.7Very low35.2Very low126 Ų126143.2 Ų143.288%0.88181%0.808SS**  trans153.339.2160.3-730000114.1
168L39Very low35.8Very low163 Ų163142.3 Ų142.385%0.85381%0.808SS**  trans-116.239.5-175.5-109.8175.8000115.2
169L43.3Very low36.1Very low176 Ų176142.5 Ų142.592%0.92181%0.809SS**  trans-141.981.4171.3-73.9179.6000112.6
170S32.1Very low36.4Very low121 Ų121145.5 Ų145.585%0.84681%0.813SS**  trans-155.320.3163.3-163.40000115.6S172S170-S172 PolarHBondContact O-N 3.36Å
171D35.8Very low37.1Very low166 Ų166147.7 Ų147.789%0.88882%0.818SS**  trans-88.682.5176.5-101.9-27.9000111.7
172S40Very low38Very low114 Ų114152.5 Ų152.580%0.79782%0.823SS**  trans-171.790.5160.5-87.40000114.3S170S170-S172 PolarHBondContact O-N 3.36Å
173Y39.6Very low39Very low216 Ų216156.4 Ų156.485%0.84783%0.83SS**  -169.4121.2127.666-79.1000112.2
174T34.8Very low40.4Very low133 Ų133155 Ų15582%0.81683%0.827SS**  trans174.672.2138.6260000109.5
175S35.6Very low41.9Very low131 Ų131155.4 Ų155.492%0.91682%0.822SS**  trans-68.7130.8162.1-174.80000108.9
176C28.9Very low43.9Very low127 Ų127154.6 Ų154.686%0.85881%0.812SS**  trans-145140.1172-159.10000110.1
177S33.8Very low45.9Very low85 Ų85157 Ų15759%0.59481%0.81SS**  trans-70.3143-157.2-169.30000115.1H179S177-H179 PolarHBondContact O-N 3.32Å; S177-H179 VanDerWaalsContact O-N 3.15Å; S177-H179 PolarHBondContact OG-CE1 3.37Å
178D42.6Very low48.2Very low137 Ų137159.4 Ų159.473%0.73380%0.804SS**  trans-74.7100.3170.3178.710.6000111.1Q180D178-Q180 PolarHBondContact OD1-N 2.84Å; D178-Q180 VanDerWaalsContact OD1-N 3.14Å
179H40.2Very low50.3Low160 Ų160155 Ų15574%0.74178%0.783SS**  trans-120.764.7169.1-70.1-15.3000111.9S177 Q181S177-H179 PolarHBondContact O-N 3.32Å; S177-H179 VanDerWaalsContact O-N 3.15Å; S177-H179 PolarHBondContact OG-CE1 3.37Å; H179-Q181 PolarHBondContact O-N 2.88Å
180Q51.7Low52.4Low176 Ų176152.1 Ų152.182%0.82277%0.768SS**  trans48.547.4152.5-60.1-172.43.300115.4D178 R182D178-Q180 PolarHBondContact OD1-N 2.84Å; D178-Q180 VanDerWaalsContact OD1-N 3.14Å; Q180-R182 PolarHBondContact O-N 2.93Å
181Q43.2Very low54.8Low184 Ų184152.2 Ų152.286%0.8675%0.75SS**  trans-67.3103.4-171.6-163167.660.800111.9H179 R183H179-Q181 PolarHBondContact O-N 2.88Å; Q181-R183 PolarHBondContact O-N 3.03Å
182R54.8Low57.5Low222 Ų222152.1 Ų152.184%0.83874%0.742SS**  trans-49.1135.5169.4-74.3-176.6174.1-172.2-0.2109.2Q180 V184Q180-R182 PolarHBondContact O-N 2.93Å; R182-V184 VanDerWaalsContact C-N 3.26Å; R182-V184 PolarHBondContact O-N 3.15Å
183R55.7Low59.5Low254 Ų254154.9 Ų154.996%0.95874%0.735SS**  trans-71.177.7177.7-63.4-173.5-177.5-160.20.4111.1Q181Q181-R183 PolarHBondContact O-N 3.03Å
184V61.1Low61.2Low115 Ų115154.1 Ų154.170%0.69774%0.736SS**  trans-72.4128.3176.9-176.30000109.8R182 K186R182-V184 VanDerWaalsContact C-N 3.26Å; R182-V184 PolarHBondContact O-N 3.15Å; V184-K186 PolarHBondContact O-N 2.79Å
185I66.5Low63.6Low147 Ų147150.7 Ų150.775%0.75473%0.727SS**  trans-7395.3178.8-58.3173.7000109.1R187I185-R187 PolarHBondContact O-N 3Å
186K76.8Confident65.4Low136 Ų136152.5 Ų152.559%0.59172%0.718SS**PPolyproline II helixtrans-70.4117.6174.2-60.5-161.7-176.7-162.20110V184 S203V184-K186 PolarHBondContact O-N 2.79Å; K186-S203 PolarHBondContact NZ-OG 3.07Å
187R74.4Confident68.2Low209 Ų209150.4 Ų150.479%0.78971%0.705SS**PPolyproline II helixtrans-91.2132.6171.8-69.8178.6173.5144.1-2.5109.5I185I185-R187 PolarHBondContact O-N 3Å
188K83.1Confident70.5Confident175 Ų175150.8 Ų150.876%0.76170%0.696SS**PPolyproline II helixtrans-80.1125.2171.8-77.2-176.5175.9-174.80109I199K188-I199 HydrophobicContact CB-CG2 3.66Å; K188-I199 HydrophobicContact CD-CG2 4.1Å; K188-I199 HydrophobicContact CG-CG2 3.96Å
189V82.9Confident72.2Confident70 Ų70149.4 Ų149.442%0.42469%0.688SS.*EExtended strand (participates in β ladder)trans-118.7123.9179.2-1770000109.6R191 I199 C200V189-R191 HydrophobicContact CG1-CG 4.17Å; V189-R191 PolarHBondContact O-N 3.44Å; V189-I199 WeakPolarHBondContact O-CA 3.48Å; V189-C200 PolarHBondContact N-O 3.41Å; V189-C200 VanDerWaalsContact N-O 3.15Å; V189-C200 PolarHBondContact O-N 3.49Å
190L86.9Confident73.7Confident116 Ų116143.4 Ų143.461%0.60766%0.663SS**EExtended strand (participates in β ladder)trans-78.1115.7171.8-174.366.9000109I199L190-I199 HydrophobicContact CD1-CG1 3.7Å
191R82.5Confident74.6Confident123 Ų123138.8 Ų138.846%0.46465%0.65SS.*EExtended strand (participates in β ladder)trans-113.7160.8172.2-61.5-172.2-173.8-114.918.4109.5V189 S197 F198 E202V189-R191 HydrophobicContact CG1-CG 4.17Å; V189-R191 PolarHBondContact O-N 3.44Å; R191-S197 WeakPolarHBondContact O-CA 3.39Å; R191-F198 HydrophobicContact CB-CE1 4.24Å; R191-F198 HydrophobicContact CB-CZ 4.37Å; R191-F198 PolarHBondContact N-O 3.43Å; R191-F198 WeakPolarHBondContact O-CD1 3.38Å; R191-F198 PolarHBondContact O-N 2.82Å; R191-E202 IonicContact CZ-OE1 3.18Å; R191-E202 IonicContact CZ-OE2 2.91Å; R191-E202 VanDerWaalsContact CZ-OE2 3.29Å; R191-E202 IonicContact NE-OE2 2.77Å; R191-E202 PolarHBondContact NE-OE2 3.4Å; R191-E202 VanDerWaalsContact NE-OE2 3.07Å; R191-E202 IonicContact NH2-OE1 3.48Å; R191-E202 PolarHBondContact NH2-OE1 3.02Å; R191-E202 IonicContact NH2-OE2 3.93Å; R191-E202 PolarHBondContact NH2-OE2 3.14Å
192K91.9Very high75.1Confident164 Ų164135.8 Ų135.871%0.71364%0.636SS**EExtended strand (participates in β ladder)trans-126.4119.4178.8-170.1-178.6-176.8-178.50109.9G195 K196K192-G195 WeakPolarHBondContact CE-O 3.42Å; K192-K196 CarbonylContact C-O 3.53Å; K192-K196 VanDerWaalsContact CA-O 3.32Å; K192-K196 WeakPolarHBondContact CA-O 3.05Å
193R81.6Confident74.8Confident172 Ų172128.8 Ų128.865%0.64962%0.622SS**EExtended strand (participates in β ladder)trans-129.1134.8178-171.5-178.5-170.8-165.56.4108.4G195 K196 F198R193-G195 VanDerWaalsContact C-N 3.29Å; R193-G195 PolarHBondContact O-N 2.71Å; R193-K196 PolarHBondContact N-O 3.21Å; R193-K196 PolarHBondContact O-N 2.95Å; R193-K196 VanDerWaalsContact O-N 3.12Å; R193-F198 HydrophobicContact CB-CE1 3.62Å; R193-F198 HydrophobicContact CB-CZ 4.21Å
194K75.4Confident74.3Confident201 Ų201123.4 Ų123.487%0.87461%0.61SS**THydrogen-bonded Turntrans45.450.5-178.1-64.3-176.8177.1-1770112.7K196K194-K196 PolarHBondContact O-N 3.4Å
195G85.6Confident73.5Confident60 Ų60129.2 Ų129.262%0.61962%0.622SS**THydrogen-bonded Turntrans78-28.217900000116.3K192 R193K192-G195 WeakPolarHBondContact CE-O 3.42Å; R193-G195 VanDerWaalsContact C-N 3.29Å; R193-G195 PolarHBondContact O-N 2.71Å
196K74.6Confident72.6Confident169 Ų169127.5 Ų127.574%0.73562%0.618SS**EExtended strand (participates in β ladder)trans-88.8141.5-177.1-64.4-179.9179.8179.50111.8K192 R193 K194K192-K196 CarbonylContact C-O 3.53Å; K192-K196 VanDerWaalsContact CA-O 3.32Å; K192-K196 WeakPolarHBondContact CA-O 3.05Å; R193-K196 PolarHBondContact N-O 3.21Å; R193-K196 PolarHBondContact O-N 2.95Å; R193-K196 VanDerWaalsContact O-N 3.12Å; K194-K196 PolarHBondContact O-N 3.4Å
197S87.6Confident71.1Confident84 Ų84128.1 Ų128.159%0.58763%0.628SS**EExtended strand (participates in β ladder)trans-96140174.847.90000111.3R191R191-S197 WeakPolarHBondContact O-CA 3.39Å
198F80.8Confident69.8Low92 Ų92123.1 Ų123.140%0.40462%0.617SS.*EExtended strand (participates in β ladder)trans-147.7153.1-179.465.2-68.4000110.3R191 R193 C200R191-F198 HydrophobicContact CB-CE1 4.24Å; R191-F198 HydrophobicContact CB-CZ 4.37Å; R191-F198 PolarHBondContact N-O 3.43Å; R191-F198 WeakPolarHBondContact O-CD1 3.38Å; R191-F198 PolarHBondContact O-N 2.82Å; R193-F198 HydrophobicContact CB-CE1 3.62Å; R193-F198 HydrophobicContact CB-CZ 4.21Å; F198-C200 WeakPolarHBondContact CE2-SG 3.21Å
199I78.9Confident68.2Low109 Ų109118.5 Ų118.556%0.55961%0.607SS**EExtended strand (participates in β ladder)trans-106.1111.6-174.6-62.3171.8000109K188 V189 L190K188-I199 HydrophobicContact CB-CG2 3.66Å; K188-I199 HydrophobicContact CD-CG2 4.1Å; K188-I199 HydrophobicContact CG-CG2 3.96Å; V189-I199 WeakPolarHBondContact O-CA 3.48Å; L190-I199 HydrophobicContact CD1-CG1 3.7Å
200C71.5Confident66.8Low33 Ų33122.3 Ų122.322%0.22363%0.625CS.*EExtended strand (participates in β ladder)trans-85.4140173.7-740000111.5V189 F198 E202V189-C200 PolarHBondContact N-O 3.41Å; V189-C200 VanDerWaalsContact N-O 3.15Å; V189-C200 PolarHBondContact O-N 3.49Å; F198-C200 WeakPolarHBondContact CE2-SG 3.21Å; C200-E202 HydrophobicContact CB-CB 4.4Å
201S69.8Low65.2Low79 Ų79120.5 Ų120.555%0.55263%0.626SS**  trans-108.373.9159.356.40000108.4S203S201-S203 PolarHBondContact O-N 2.92Å
202E54.6Low63.5Low121 Ų121117.8 Ų117.857%0.56563%0.626SS**  trans-72.9107.4-164.2-152.2164.6139.100111.7R191 C200R191-E202 IonicContact CZ-OE1 3.18Å; R191-E202 IonicContact CZ-OE2 2.91Å; R191-E202 VanDerWaalsContact CZ-OE2 3.29Å; R191-E202 IonicContact NE-OE2 2.77Å; R191-E202 PolarHBondContact NE-OE2 3.4Å; R191-E202 VanDerWaalsContact NE-OE2 3.07Å; R191-E202 IonicContact NH2-OE1 3.48Å; R191-E202 PolarHBondContact NH2-OE1 3.02Å; R191-E202 IonicContact NH2-OE2 3.93Å; R191-E202 PolarHBondContact NH2-OE2 3.14Å; C200-E202 HydrophobicContact CB-CB 4.4Å
203S49Very low61.6Low76 Ų76113.2 Ų113.253%0.53162%0.615SS.*  trans-157.436.1167.776.30000111.2K186 S201K186-S203 PolarHBondContact NZ-OG 3.07Å; S201-S203 PolarHBondContact O-N 2.92Å
204I44.6Very low60.2Low140 Ų140109.1 Ų109.172%0.71861%0.611SS**  trans-139.2121.8177-58.7178000105
205Y43.8Very low59.3Low238 Ų238105.3 Ų105.393%0.93360%0.6SS**  trans-73.3120.7161.1-81.6-94.6000106.6
206T47.3Very low58.3Low110 Ų110109.5 Ų109.568%0.67560%0.603SS**  trans-84.7129.5167-51.10000107.7D208T206-D208 PolarHBondContact O-N 2.89Å
207D46.4Very low57.5Low149 Ų149108.3 Ų108.380%0.79760%0.6SS**  trans-80.467.5-175.9-161.319.3000110.9S209D207-S209 PolarHBondContact O-N 3.39Å
208D46.1Very low56.2Low105 Ų105112.7 Ų112.756%0.56160%0.604SS**  trans-74.575.6173.8-80.1-1.1000108.8T206 D210 A211T206-D208 PolarHBondContact O-N 2.89Å; D208-D210 PolarHBondContact O-N 3.18Å; D208-A211 PolarHBondContact O-N 3.05Å
209S50.8Low55.2Low78 Ų78113.8 Ų113.855%0.54561%0.612SS.*G310 helixtrans-51.6-23.8-172.3-173.50000115.5D207 A211 S212D207-S209 PolarHBondContact O-N 3.39Å; S209-A211 PolarHBondContact O-N 3.06Å; S209-S212 PolarHBondContact O-N 3.46Å; S209-S212 PolarHBondContact O-OG 3.33Å
210D52.8Low54.4Low150 Ų150111.5 Ų111.580%0.80261%0.609SS**G310 helixtrans-67.7-15.4179.1-58.2-32.4000113.6D208D208-D210 PolarHBondContact O-N 3.18Å
211A52.8Low53.7Low78 Ų78116.9 Ų116.965%0.64563%0.631SS**G310 helixtrans-82.4-17.6179.600000113.7D208 S209D208-A211 PolarHBondContact O-N 3.05Å; S209-A211 PolarHBondContact O-N 3.06Å
212S48.2Very low53.1Low66 Ų66118.8 Ų118.846%0.46263%0.634SS.*THydrogen-bonded Turntrans-79.1-46-172.6-40.60000112.7S209 C214 L215 E216S209-S212 PolarHBondContact O-N 3.46Å; S209-S212 PolarHBondContact O-OG 3.33Å; S212-C214 VanDerWaalsContact C-N 3.33Å; S212-C214 PolarHBondContact O-N 2.93Å; S212-L215 WeakPolarHBondContact O-CB 3.25Å; S212-L215 PolarHBondContact O-N 3.23Å; S212-E216 PolarHBondContact O-N 3.02Å
213S50.5Low53Low68 Ų68119.8 Ų119.848%0.47664%0.644SS.*Hα-helixtrans-60.9-39.1-172.4510000113.1L215 E216 E217S213-L215 PolarHBondContact O-N 2.93Å; S213-L215 VanDerWaalsContact O-N 3.16Å; S213-E216 PolarHBondContact O-N 3.47Å; S213-E216 VanDerWaalsContact O-N 3.1Å; S213-E217 WeakPolarHBondContact O-CB 3.43Å; S213-E217 PolarHBondContact O-N 2.85Å
214C52.1Low53Low85 Ų85123.3 Ų123.357%0.57466%0.656SS**Hα-helixtrans-62.8-18.2177.1-176.30000113.8S212S212-C214 VanDerWaalsContact C-N 3.33Å; S212-C214 PolarHBondContact O-N 2.93Å
215L57.6Low52.9Low121 Ų121122.7 Ų122.763%0.63466%0.659SS**Hα-helixtrans-87.4-41171.7-174.465.7000111.4S212 S213 R218 M219S212-L215 WeakPolarHBondContact O-CB 3.25Å; S212-L215 PolarHBondContact O-N 3.23Å; S213-L215 PolarHBondContact O-N 2.93Å; S213-L215 VanDerWaalsContact O-N 3.16Å; L215-R218 PolarHBondContact O-N 3.48Å; L215-M219 WeakPolarHBondContact O-CG 3.27Å; L215-M219 PolarHBondContact O-N 3.19Å
216E65.6Low52.8Low148 Ų148117 Ų11769%0.69265%0.654SS**Hα-helixtrans-67.9-47.5-177.3-171.8169-170.100112.2S212 S213 R218 M219 A220S212-E216 PolarHBondContact O-N 3.02Å; S213-E216 PolarHBondContact O-N 3.47Å; S213-E216 VanDerWaalsContact O-N 3.1Å; E216-R218 PolarHBondContact O-N 2.6Å; E216-M219 PolarHBondContact O-N 2.88Å; E216-A220 PolarHBondContact O-N 3.19Å; E216-A220 VanDerWaalsContact O-N 3.16Å
217E56Low52.6Low144 Ų144118.5 Ų118.567%0.67366%0.658SS**Hα-helixtrans-52.2-41.2172.8-177.1174.6-145.300111.5S213 M219 A220 E221S213-E217 WeakPolarHBondContact O-CB 3.43Å; S213-E217 PolarHBondContact O-N 2.85Å; E217-M219 PolarHBondContact O-N 2.88Å; E217-A220 PolarHBondContact O-N 3.44Å; E217-E221 PolarHBondContact O-N 2.93Å
218R60.2Low52.2Low176 Ų176121.3 Ų121.366%0.66466%0.657SS**Hα-helixtrans-77.4-16.7-178.3-161.3177.1-170164.57114.5L215 E216L215-R218 PolarHBondContact O-N 3.48Å; E216-R218 PolarHBondContact O-N 2.6Å
219M60.3Low51.7Low116 Ų116123.8 Ų123.857%0.57166%0.663SS**Hα-helixtrans-82-39.4170.4-67.1-67.5-66.900110.1L215 E216 E217 E221 L222L215-M219 WeakPolarHBondContact O-CG 3.27Å; L215-M219 PolarHBondContact O-N 3.19Å; E216-M219 PolarHBondContact O-N 2.88Å; E217-M219 PolarHBondContact O-N 2.88Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 3.33Å; M219-L222 WeakPolarHBondContact O-CB 3.23Å; M219-L222 PolarHBondContact O-N 2.84Å; M219-L222 VanDerWaalsContact O-N 3.08Å
220A63.4Low50.7Low61 Ų61125.5 Ų125.550%0.50467%0.666SS.*Hα-helixtrans-62.9-29.8178.300000113.7E216 E217 L222E216-A220 PolarHBondContact O-N 3.19Å; E216-A220 VanDerWaalsContact O-N 3.16Å; E217-A220 PolarHBondContact O-N 3.44Å; A220-L222 PolarHBondContact O-N 2.98Å
221E56.2Low50.1Low145 Ų145128.5 Ų128.568%0.67867%0.668SS**THydrogen-bonded Turntrans-62.6-19.1173.5-71.7-170.1132.500114.1E217 M219E217-E221 PolarHBondContact O-N 2.93Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 3.33Å
222L57.2Low49.3Very low119 Ų119131.6 Ų131.662%0.62367%0.673SS**THydrogen-bonded Turntrans-86.5-22.2-174.2-62.9175000114.1M219 A220 L224M219-L222 WeakPolarHBondContact O-CB 3.23Å; M219-L222 PolarHBondContact O-N 2.84Å; M219-L222 VanDerWaalsContact O-N 3.08Å; A220-L222 PolarHBondContact O-N 2.98Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 2.79Å
223D51.7Low48.8Very low143 Ų143134.4 Ų134.477%0.76569%0.688SS**THydrogen-bonded Turntrans-85.5-1.5-172.1-69.9-30.1000113.9
224L50.3Low48.2Very low150 Ų150137.7 Ų137.779%0.78570%0.7SS**THydrogen-bonded Turntrans-97.710.8-172.3-68.9176.2000115.7L222L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 2.79Å
225T42.5Very low47.7Very low126 Ų126141.7 Ų141.777%0.77371%0.71SS**  trans-120.662.2179.562.90000114.3
226S41Very low46.7Very low120 Ų120142.2 Ų142.284%0.83971%0.714SS**  trans-14934165.8-1480000115.1
227D43.2Very low45.2Very low140 Ų140141.5 Ų141.575%0.74972%0.715SS**  trans-82.2112.8163.1170.937.2000110.5
228R37.9Very low44.5Very low208 Ų208138.8 Ų138.879%0.78571%0.712SS**  175.3123.4126.6-97.2167.2176.5-149-3.8113.7
229K34.5Very low43.3Very low158 Ų158139.8 Ų139.869%0.68772%0.724SS**  44.9134.5125.5-64-164.6129.3-65.60119.9
230D31.1Very low41.9Very low113 Ų113138.1 Ų138.160%0.60474%0.736SS**  cis-141.3-157.7-8.3-73.8-46.5000105.8
231Y40Very low40.5Very low214 Ų214140 Ų14084%0.83975%0.746SS**  cis-159-175.311.931.4-115.6000110.2
232D35.8Very low39.8Very low142 Ų142140.8 Ų140.876%0.75975%0.75SS**  trans-75.6157.9-158.5-41-86000117.4
233T36.9Very low38.9Very low126 Ų126141.6 Ų141.677%0.77376%0.759SS**  -179.6112.7112.2-63.80000110.8
234D39Very low38.2Very low136 Ų136141.8 Ų141.873%0.72776%0.761SS**  trans30.4143.6137-48.2-7.3000121.4
235E41.9Very low37.9Very low170 Ų170138.6 Ų138.679%0.79476%0.756SS**  cis-169.1176.3-5.7-112.6-71.1-158.900109.4
236N36.8Very low37.8Very low132 Ų132136.8 Ų136.871%0.70675%0.745SS**  trans91.682.4146.9-143.975.1000120.9
237D32.8Very low38Very low132 Ų132135.7 Ų135.771%0.70673%0.729SS**  95.5119.9112.9-139.83.3000123.3
238S41Very low38.1Very low88 Ų88136 Ų13662%0.61572%0.724SS**  trans86.9113.9136.2-860000125.6
239Q35.7Very low38.8Very low196 Ų196131.2 Ų131.292%0.91672%0.72SS**  trans70.6125143.4-58.9-172.2-1.100121.8
240G30.5Very low39.4Very low81 Ų81127.9 Ų127.984%0.83572%0.722SS**  trans154.2110153.100000116.4
241S35.3Very low40.2Very low100 Ų100129.5 Ų129.570%0.69972%0.723SS**  trans-56.1150.4-176.7-123.30000116.9
242E40.2Very low40.7Very low163 Ų163126.9 Ų126.976%0.76271%0.712SS**  trans4399139.1-63.4163.9107.700119.6
243T38.8Very low41.5Very low135 Ų135124 Ų12483%0.82870%0.703SS**  -175.9119.796.622.90000110.2A245T243-A245 PolarHBondContact O-N 2.88Å
244D37.8Very low42.1Very low148 Ų148122.2 Ų122.279%0.79170%0.695SS**  trans-79.472.6-179.4-169.314.1000111.9V246D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 2.95Å
245A42.9Very low42.7Very low83 Ų83120.7 Ų120.769%0.68669%0.686SS**  trans-81.582.2167.600000108.9T243 D247T243-A245 PolarHBondContact O-N 2.88Å; A245-D247 PolarHBondContact O-N 2.64Å
246V41.5Very low42.9Very low88 Ų88117.1 Ų117.153%0.53367%0.672SS.*  trans-52.893.5-177.9-166.60000111.3D244 F248D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 2.95Å; V246-F248 HydrophobicContact CB-CE2 4.11Å; V246-F248 HydrophobicContact CG1-CD2 4.28Å; V246-F248 HydrophobicContact CG1-CE2 3.81Å; V246-F248 HydrophobicContact CG1-CZ 4.12Å; V246-F248 WeakPolarHBondContact O-CD2 3.44Å; V246-F248 PolarHBondContact O-N 3.39Å
247D44.7Very low43.5Very low97 Ų97116.2 Ų116.252%0.51967%0.671SS.*  trans-82.582-167-159.745.7000110.6A245 P249 R252A245-D247 PolarHBondContact O-N 2.64Å; D247-P249 WeakPolarHBondContact O-CD 3.4Å; D247-R252 IonicContact OD1-CZ 3.07Å; D247-R252 VanDerWaalsContact OD1-CZ 3.3Å; D247-R252 IonicContact OD1-NE 2.67Å; D247-R252 PolarHBondContact OD1-NE 2.94Å; D247-R252 IonicContact OD1-NH2 2.91Å; D247-R252 PolarHBondContact OD1-NH2 2.89Å; D247-R252 IonicContact OD2-CZ 3.94Å; D247-R252 IonicContact OD2-NE 3.3Å; D247-R252 PolarHBondContact OD2-NE 3.14Å; D247-R252 IonicContact OD2-NH2 2.6Å
248F44.1Very low44.4Very low147 Ų147115.8 Ų115.865%0.64567%0.673SS**  trans-60106.3179.1-74.5-88.1000111.3V246 A250 F251V246-F248 HydrophobicContact CB-CE2 4.11Å; V246-F248 HydrophobicContact CG1-CD2 4.28Å; V246-F248 HydrophobicContact CG1-CE2 3.81Å; V246-F248 HydrophobicContact CG1-CZ 4.12Å; V246-F248 WeakPolarHBondContact O-CD2 3.44Å; V246-F248 PolarHBondContact O-N 3.39Å; F248-A250 PolarHBondContact O-N 2.74Å; F248-A250 VanDerWaalsContact O-N 3.12Å; F248-F251 PolarHBondContact O-N 3.25Å
249P53.3Low44.8Very low107 Ų107116.5 Ų116.570%0.69567%0.674SS**Hα-helixtrans-67.1-25.3-169.927.1-35.2000112.5D247 F251 S253D247-P249 WeakPolarHBondContact O-CD 3.4Å; P249-F251 PolarHBondContact O-N 2.95Å; P249-S253 PolarHBondContact O-N 3.23Å
250A47.3Very low45.1Very low87 Ų87114.1 Ų114.172%0.71966%0.663SS**Hα-helixtrans-62.2-27.4175.100000113.5F248F248-A250 PolarHBondContact O-N 2.74Å; F248-A250 VanDerWaalsContact O-N 3.12Å
251F47Very low46.1Very low147 Ų147115.8 Ų115.865%0.64566%0.662SS**Hα-helixtrans-81.6-46.9-176.9-168.3-107.4000112.2F248 P249 S253 C254 I255F248-F251 PolarHBondContact O-N 3.25Å; P249-F251 PolarHBondContact O-N 2.95Å; F251-S253 VanDerWaalsContact C-N 3.27Å; F251-S253 PolarHBondContact O-N 3.49Å; F251-C254 WeakPolarHBondContact O-CB 3.37Å; F251-C254 PolarHBondContact O-N 3.4Å; F251-I255 HydrophobicContact CD1-CD1 4.41Å; F251-I255 HydrophobicContact CE1-CD1 3.93Å; F251-I255 HydrophobicContact CZ-CD1 4.48Å
252R51.7Low46.5Very low159 Ų159117.1 Ų117.160%0.666%0.661SS**Hα-helixtrans-59-38.5177.2-69.6-171.7-176.5-101-1.7112.3D247 C254 I255 D256D247-R252 IonicContact OD1-CZ 3.07Å; D247-R252 VanDerWaalsContact OD1-CZ 3.3Å; D247-R252 IonicContact OD1-NE 2.67Å; D247-R252 PolarHBondContact OD1-NE 2.94Å; D247-R252 IonicContact OD1-NH2 2.91Å; D247-R252 PolarHBondContact OD1-NH2 2.89Å; D247-R252 IonicContact OD2-CZ 3.94Å; D247-R252 IonicContact OD2-NE 3.3Å; D247-R252 PolarHBondContact OD2-NE 3.14Å; D247-R252 IonicContact OD2-NH2 2.6Å; R252-C254 PolarHBondContact O-N 3.46Å; R252-C254 VanDerWaalsContact O-N 3.09Å; R252-I255 PolarHBondContact O-N 2.71Å; R252-I255 VanDerWaalsContact O-N 3.07Å; R252-D256 PolarHBondContact O-N 3.28Å
253S51.6Low46.9Very low82 Ų82119.2 Ų119.257%0.57366%0.662SS**Hα-helixtrans-57.2-23.2176.1-175.20000114P249 F251 V257P249-S253 PolarHBondContact O-N 3.23Å; F251-S253 VanDerWaalsContact C-N 3.27Å; F251-S253 PolarHBondContact O-N 3.49Å; S253-V257 WeakPolarHBondContact O-CG2 3.5Å
254C50.5Low47.1Very low89 Ų89121.9 Ų121.960%0.60167%0.665SS**Hα-helixtrans-78.9-34176.9-169.80000113.2F251 R252F251-C254 WeakPolarHBondContact O-CB 3.37Å; F251-C254 PolarHBondContact O-N 3.4Å; R252-C254 PolarHBondContact O-N 3.46Å; R252-C254 VanDerWaalsContact O-N 3.09Å
255I51.9Low48Very low103 Ų103121.4 Ų121.453%0.52867%0.667SS.*Hα-helixtrans-81.6-38.6-173.7-55.3-178.9000110.8F251 R252 V257 V258F251-I255 HydrophobicContact CD1-CD1 4.41Å; F251-I255 HydrophobicContact CE1-CD1 3.93Å; F251-I255 HydrophobicContact CZ-CD1 4.48Å; R252-I255 PolarHBondContact O-N 2.71Å; R252-I255 VanDerWaalsContact O-N 3.07Å; I255-V257 PolarHBondContact O-N 2.83Å; I255-V258 WeakPolarHBondContact O-CB 3.17Å; I255-V258 PolarHBondContact O-N 2.94Å
256D45.2Very low48.4Very low95 Ų95128.2 Ų128.251%0.50868%0.675SS.*G310 helixtrans-65.1-22.1-178.4-145.945.1000113.2R252 V258 T259 Q260R252-D256 PolarHBondContact O-N 3.28Å; D256-V258 PolarHBondContact O-N 2.79Å; D256-T259 PolarHBondContact O-OG1 3.26Å; D256-Q260 PolarHBondContact OD2-NE2 3.02Å
257V49.7Very low49.3Very low114 Ų114129.7 Ų129.769%0.69169%0.687SS**G310 helixtrans-73.2-13.3174.7171.80000112.9S253 I255S253-V257 WeakPolarHBondContact O-CG2 3.5Å; I255-V257 PolarHBondContact O-N 2.83Å
258V51.4Low50.2Low122 Ų122133.5 Ų133.574%0.73970%0.698SS**G310 helixtrans-85.4-24.3-177.9-175.20000112.4I255 D256I255-V258 WeakPolarHBondContact O-CB 3.17Å; I255-V258 PolarHBondContact O-N 2.94Å; D256-V258 PolarHBondContact O-N 2.79Å
259T49Very low51.1Low104 Ų104131.3 Ų131.364%0.63870%0.699SS**THydrogen-bonded Turntrans-101.7-21.4-172.948.50000114.3D256 S261D256-T259 PolarHBondContact O-OG1 3.26Å; T259-S261 PolarHBondContact O-N 3.4Å; T259-S261 VanDerWaalsContact O-N 3.15Å
260Q43.5Very low51.6Low145 Ų145136.6 Ų136.668%0.67871%0.711SS**  trans-80.298.3-176.3-66.3-172.123.600112.8D256D256-Q260 PolarHBondContact OD2-NE2 3.02Å
261S50.6Low52.9Low117 Ų117137.3 Ų137.382%0.81871%0.711SS**  trans-104.186.2173.463.50000113.1T259T259-S261 PolarHBondContact O-N 3.4Å; T259-S261 VanDerWaalsContact O-N 3.15Å
262D44.8Very low54.2Low127 Ų127138.4 Ų138.468%0.67972%0.715SS**SBendtrans-160.9-176.1132.3-151.31.5000111.7
263R47.4Very low55.5Low207 Ų207138 Ų13878%0.78172%0.724SS**  trans-58.1132.4-169.2-38.2105.3-158-92.9-1.4114.3
264E43.3Very low56.3Low192 Ų192143.5 Ų143.590%0.89773%0.732SS**  -154.4169.7109.7-122.8-169.8157.500114.3R266E264-R266 PolarHBondContact O-N 3.13Å
265V57Low57.3Low137 Ų137143.7 Ų143.783%0.8373%0.732SS**  trans-96.885.8-161.3-173.90000112.5
266R52Low58.1Low226 Ų226143.8 Ų143.885%0.85374%0.737SS**  trans-83.7123.6165.4-145.2174.2-167.6-173.94.6110.6E264 K268E264-R266 PolarHBondContact O-N 3.13Å; R266-K268 PolarHBondContact O-N 3.46Å
267P60Low58.7Low120 Ų120145.9 Ų145.978%0.77975%0.746SS**  trans-68.6107.3-176.826.3-33.9000111.3
268K62.4Low59Low177 Ų177147.1 Ų147.177%0.7774%0.742SS**  trans-70.6139.3-179.9-74.4156.3-1791600110.8R266 K270R266-K268 PolarHBondContact O-N 3.46Å; K268-K270 PolarHBondContact O-N 2.67Å
269P62.8Low59.2Low101 Ų101150 Ų15066%0.65675%0.747SS**  trans-63.5127-177.124.8-33.8000111.4S271P269-S271 PolarHBondContact O-N 3.42Å; P269-S271 VanDerWaalsContact O-N 3.07Å
270K65.1Low59.8Low217 Ų217153.1 Ų153.194%0.94375%0.747SS**THydrogen-bonded Turntrans-67-7.2-174-67.3179.6178175.70114.8K268K268-K270 PolarHBondContact O-N 2.67Å
271S73.3Confident60.5Low102 Ų102150.5 Ų150.571%0.71375%0.751SS**THydrogen-bonded Turntrans-80.9-26-176.349.60000114.5P269 I273P269-S271 PolarHBondContact O-N 3.42Å; P269-S271 VanDerWaalsContact O-N 3.07Å; S271-I273 PolarHBondContact O-N 3.21Å; S271-I273 VanDerWaalsContact O-N 3.16Å
272F74.4Confident61.1Low170 Ų170151.8 Ų151.875%0.74675%0.747SS**  trans-90.883.5-172.7-140.8-82.8000112.3R274F272-R274 PolarHBondContact O-N 3.34Å
273I78.9Confident62.5Low152 Ų152153.8 Ų153.878%0.77975%0.75SS**  trans-63.898.5169.5-56.9176.6000108.2S271S271-I273 PolarHBondContact O-N 3.21Å; S271-I273 VanDerWaalsContact O-N 3.16Å
274R69.5Low64Low196 Ų196154.2 Ų154.274%0.7476%0.757SS**  trans-62133.9167.2-63.7-173.5-177-149.6-3.2107.9F272 V276F272-R274 PolarHBondContact O-N 3.34Å; R274-V276 PolarHBondContact O-N 3.2Å
275P70.6Confident65.6Low93 Ų93148.9 Ų148.960%0.60474%0.735SS**  trans-58.9118.1171.624.8-32.8000108.3M277P275-M277 VanDerWaalsContact C-N 3.25Å; P275-M277 HydrophobicContact CB-CE 4.42Å; P275-M277 HydrophobicContact CG-CE 4.11Å; P275-M277 PolarHBondContact O-N 3.4Å
276V68.4Low67.2Low106 Ų106145.7 Ų145.764%0.64271%0.713SS**  trans-69.392.6172.1178.80000106.6R274 F278R274-V276 PolarHBondContact O-N 3.2Å; V276-F278 VanDerWaalsContact C-N 3.33Å; V276-F278 HydrophobicContact CB-CE2 4.31Å; V276-F278 HydrophobicContact CG1-CD1 4.46Å; V276-F278 HydrophobicContact CG1-CD2 4.29Å; V276-F278 HydrophobicContact CG1-CE1 4.31Å; V276-F278 HydrophobicContact CG1-CE2 4.13Å; V276-F278 HydrophobicContact CG1-CG 4.45Å; V276-F278 HydrophobicContact CG1-CZ 4.15Å; V276-F278 VanDerWaalsContact O-CD2 3.23Å; V276-F278 WeakPolarHBondContact O-CD2 3.31Å; V276-F278 PolarHBondContact O-N 2.88Å
277M58.5Low69.2Low138 Ų138140.1 Ų140.168%0.6871%0.706SS**  trans-62.299.5168.6-63.4-61.8-176.400106.6P275 Q279P275-M277 VanDerWaalsContact C-N 3.25Å; P275-M277 HydrophobicContact CB-CE 4.42Å; P275-M277 HydrophobicContact CG-CE 4.11Å; P275-M277 PolarHBondContact O-N 3.4Å; M277-Q279 PolarHBondContact O-N 3.24Å
278F55.6Low70.8Confident140 Ų140138.5 Ų138.561%0.61469%0.694SS**  trans-6887.1176.8-76.8-85000108.9H70 V276 R280H70-F278 AromaticContact CD2-CE1 3.94Å; V276-F278 VanDerWaalsContact C-N 3.33Å; V276-F278 HydrophobicContact CB-CE2 4.31Å; V276-F278 HydrophobicContact CG1-CD1 4.46Å; V276-F278 HydrophobicContact CG1-CD2 4.29Å; V276-F278 HydrophobicContact CG1-CE1 4.31Å; V276-F278 HydrophobicContact CG1-CE2 4.13Å; V276-F278 HydrophobicContact CG1-CG 4.45Å; V276-F278 HydrophobicContact CG1-CZ 4.15Å; V276-F278 VanDerWaalsContact O-CD2 3.23Å; V276-F278 WeakPolarHBondContact O-CD2 3.31Å; V276-F278 PolarHBondContact O-N 2.88Å; F278-R280 PolarHBondContact O-N 2.98Å
279Q55.9Low72.2Confident183 Ų183133.8 Ų133.886%0.85568%0.68SS**  trans-68.620.3-179.2-69179.1-2.200114M277 A281M277-Q279 PolarHBondContact O-N 3.24Å; Q279-A281 PolarHBondContact O-N 2.77Å
280R61.3Low73.6Confident169 Ų169133.1 Ų133.164%0.63866%0.664SS**SBendtrans-60.998.6150.7-96.3-173.7172161.61.1105.9S72 F278 I282S72-R280 PolarHBondContact OG-NH1 3.16Å; S72-R280 PolarHBondContact OG-NH2 2.91Å; F278-R280 PolarHBondContact O-N 2.98Å; R280-I282 PolarHBondContact O-N 3.18Å
281A59.7Low75Confident90 Ų90129.5 Ų129.574%0.74465%0.646SS**  trans-46.7104.9-174.200000110.2Q279 K283Q279-A281 PolarHBondContact O-N 2.77Å; A281-K283 PolarHBondContact O-N 3.31Å
282I62.9Low76Confident144 Ų144130.4 Ų130.474%0.73864%0.637SS**  trans-69.693.5178.4-58.6178.1000105R280 K284R280-I282 PolarHBondContact O-N 3.18Å; I282-K284 PolarHBondContact O-N 3.04Å
283K73.1Confident77Confident170 Ų170126.5 Ų126.574%0.73962%0.621SS**  trans-48.9131.8175.8-66.3-172.2177.5-172.80107A281 N285A281-K283 PolarHBondContact O-N 3.31Å; K283-N285 PolarHBondContact O-N 3.01Å; K283-N285 PolarHBondContact O-OD1 3.12Å
284K78.5Confident77.7Confident215 Ų215125.2 Ų125.294%0.93561%0.607SS**  trans-70.169.9179.7-67.1-178.8-179.9177.90109I282I282-K284 PolarHBondContact O-N 3.04Å
285N78.6Confident78.9Confident80 Ų80120.3 Ų120.343%0.42859%0.591SS.*  trans-64.5135.6173.5-64.2-5.4000107.6K283 R290K283-N285 PolarHBondContact O-N 3.01Å; K283-N285 PolarHBondContact O-OD1 3.12Å; N285-R290 HydrophobicContact CB-CG 3.67Å
286D89.6Confident80Confident71 Ų71122.9 Ų122.938%0.3860%0.596SS.*  trans-54.3139.1-180135.663.4000111.1V288 T289 R290D286-V288 PolarHBondContact O-N 3.37Å; D286-V288 WeakPolarHBondContact OD1-CB 3.14Å; D286-V288 PolarHBondContact OD1-N 3.26Å; D286-V288 PolarHBondContact OD2-N 2.8Å; D286-T289 PolarHBondContact O-N 3.38Å; D286-T289 VanDerWaalsContact OD2-CB 3.25Å; D286-T289 WeakPolarHBondContact OD2-CB 3.42Å; D286-T289 PolarHBondContact OD2-N 3.06Å; D286-T289 PolarHBondContact OD2-OG1 3.11Å; D286-R290 WeakPolarHBondContact O-CB 3.36Å; D286-R290 VanDerWaalsContact O-CG 3.27Å; D286-R290 WeakPolarHBondContact O-CG 3.24Å; D286-R290 PolarHBondContact O-N 2.83Å
287P93.6Very high81.1Confident108 Ų108122.1 Ų122.170%0.70159%0.586SS**Hα-helixtrans-52.5-33.4177.7-28.336.1000115Y291P287-Y291 WeakPolarHBondContact O-CB 3.37Å; P287-Y291 PolarHBondContact O-N 3.32Å
288V93.3Very high82.6Confident86 Ų86125.4 Ų125.452%0.52159%0.591SS.*Hα-helixtrans-73.1-46.9179.9179.90000110.7D286 R290 Y291 F292D286-V288 PolarHBondContact O-N 3.37Å; D286-V288 WeakPolarHBondContact OD1-CB 3.14Å; D286-V288 PolarHBondContact OD1-N 3.26Å; D286-V288 PolarHBondContact OD2-N 2.8Å; V288-R290 VanDerWaalsContact C-N 3.28Å; V288-R290 PolarHBondContact O-N 2.94Å; V288-Y291 WeakPolarHBondContact O-CB 3.32Å; V288-Y291 PolarHBondContact O-N 3.12Å; V288-Y291 VanDerWaalsContact O-N 3.14Å; V288-F292 HydrophobicContact CG1-CD2 3.86Å; V288-F292 HydrophobicContact CG1-CE2 3.52Å; V288-F292 VanDerWaalsContact O-CD2 3.23Å; V288-F292 WeakPolarHBondContact O-CD2 3.37Å; V288-F292 PolarHBondContact O-N 3.05Å
289T92.3Very high84Confident79 Ų79122.7 Ų122.749%0.48558%0.583SS.*Hα-helixtrans-57.7-41.7171.3-59.60000111.1D286 F292 Q293D286-T289 PolarHBondContact O-N 3.38Å; D286-T289 VanDerWaalsContact OD2-CB 3.25Å; D286-T289 WeakPolarHBondContact OD2-CB 3.42Å; D286-T289 PolarHBondContact OD2-N 3.06Å; D286-T289 PolarHBondContact OD2-OG1 3.11Å; T289-F292 PolarHBondContact O-N 3.01Å; T289-Q293 WeakPolarHBondContact O-CB 3.09Å; T289-Q293 PolarHBondContact O-N 2.92Å
290R92.1Very high85.5Confident86 Ų86117.7 Ų117.733%0.32557%0.572SS.*Hα-helixtrans-64.7-40.1175.1-72.8-90-80.2144.84.3112.1N285 D286 V288 Y294N285-R290 HydrophobicContact CB-CG 3.67Å; D286-R290 WeakPolarHBondContact O-CB 3.36Å; D286-R290 VanDerWaalsContact O-CG 3.27Å; D286-R290 WeakPolarHBondContact O-CG 3.24Å; D286-R290 PolarHBondContact O-N 2.83Å; V288-R290 VanDerWaalsContact C-N 3.28Å; V288-R290 PolarHBondContact O-N 2.94Å; R290-Y294 VanDerWaalsContact NH1-CE2 3.28Å; R290-Y294 PolarHBondContact NH1-OH 2.77Å; R290-Y294 PolarHBondContact NH2-OH 2.83Å; R290-Y294 WeakPolarHBondContact O-CB 3.23Å; R290-Y294 WeakPolarHBondContact O-CD2 3.17Å; R290-Y294 PolarHBondContact O-N 3.07Å
291Y94.3Very high86.5Confident141 Ų141117.5 Ų117.555%0.55358%0.577SS**Hα-helixtrans-61.6-48.4173.4166.8-96.4000111.4P287 V288 Q293 Y294 K295P287-Y291 WeakPolarHBondContact O-CB 3.37Å; P287-Y291 PolarHBondContact O-N 3.32Å; V288-Y291 WeakPolarHBondContact O-CB 3.32Å; V288-Y291 PolarHBondContact O-N 3.12Å; V288-Y291 VanDerWaalsContact O-N 3.14Å; Y291-Q293 PolarHBondContact O-N 3.16Å; Y291-Y294 PolarHBondContact O-N 3.09Å; Y291-K295 HydrophobicContact CE1-CD 4.43Å; Y291-K295 WeakPolarHBondContact O-CB 3.37Å; Y291-K295 PolarHBondContact O-N 3.2Å
292F96.1Very high87.5Confident121 Ų121117.7 Ų117.753%0.53156%0.562SS.*Hα-helixtrans-64.2-41.4178.8-74.5-61.7000112.7V288 T289 Y294 K295 E296V288-F292 HydrophobicContact CG1-CD2 3.86Å; V288-F292 HydrophobicContact CG1-CE2 3.52Å; V288-F292 VanDerWaalsContact O-CD2 3.23Å; V288-F292 WeakPolarHBondContact O-CD2 3.37Å; V288-F292 PolarHBondContact O-N 3.05Å; T289-F292 PolarHBondContact O-N 3.01Å; F292-Y294 PolarHBondContact O-N 3.38Å; F292-K295 PolarHBondContact O-N 3.19Å; F292-E296 PolarHBondContact O-N 3.3Å
293Q93.9Very high88.2Confident88 Ų88115.6 Ų115.641%0.41156%0.556SS.*Hα-helixtrans-58.3-46.5173.4-175.4-176.620.900111.8T289 Y291 M297T289-Q293 WeakPolarHBondContact O-CB 3.09Å; T289-Q293 PolarHBondContact O-N 2.92Å; Y291-Q293 PolarHBondContact O-N 3.16Å; Q293-M297 HydrophobicContact CG-SD 4.44Å; Q293-M297 VanDerWaalsContact O-CG 3.32Å; Q293-M297 WeakPolarHBondContact O-CG 3.41Å; Q293-M297 PolarHBondContact O-N 2.86Å; Q293-M297 VanDerWaalsContact O-N 3.12Å
294Y94.1Very high88.3Confident125 Ų125113.5 Ų113.549%0.4956%0.56SS.*Hα-helixtrans-68.1-34.9177.5-78.1-50.4000112.7R290 Y291 F292 M297 W298R290-Y294 VanDerWaalsContact NH1-CE2 3.28Å; R290-Y294 PolarHBondContact NH1-OH 2.77Å; R290-Y294 PolarHBondContact NH2-OH 2.83Å; R290-Y294 WeakPolarHBondContact O-CB 3.23Å; R290-Y294 WeakPolarHBondContact O-CD2 3.17Å; R290-Y294 PolarHBondContact O-N 3.07Å; Y291-Y294 PolarHBondContact O-N 3.09Å; F292-Y294 PolarHBondContact O-N 3.38Å; Y294-M297 HydrophobicContact CD1-SD 4.42Å; Y294-W298 VanDerWaalsContact O-CB 3.31Å; Y294-W298 WeakPolarHBondContact O-CB 3.44Å; Y294-W298 PolarHBondContact O-N 3.43Å
295K94.3Very high88.2Confident93 Ų93105.3 Ų105.340%0.40454%0.536SS..Hα-helixtrans-63.5-48.5174.8-172.1-169.2172.3-163.30111Y291 F292 M297 W298 D299Y291-K295 HydrophobicContact CE1-CD 4.43Å; Y291-K295 WeakPolarHBondContact O-CB 3.37Å; Y291-K295 PolarHBondContact O-N 3.2Å; F292-K295 PolarHBondContact O-N 3.19Å; K295-M297 VanDerWaalsContact C-N 3.34Å; K295-M297 PolarHBondContact O-N 2.89Å; K295-W298 PolarHBondContact O-N 2.91Å; K295-W298 VanDerWaalsContact O-N 3.13Å; K295-D299 WeakPolarHBondContact CE-OD2 3.32Å; K295-D299 WeakPolarHBondContact O-CB 3.43Å; K295-D299 PolarHBondContact O-N 3.2Å
296E93.6Very high88.2Confident148 Ų148104.1 Ų104.169%0.69253%0.529SS*.Hα-helixtrans-57.3-46176.7-176.5-176.4-17000111.6F292 W298 A300F292-E296 PolarHBondContact O-N 3.3Å; E296-W298 PolarHBondContact O-N 2.85Å; E296-A300 WeakPolarHBondContact O-CB 3.42Å; E296-A300 PolarHBondContact O-N 3.33Å
297M92.3Very high87.7Confident90 Ų90104.9 Ų104.944%0.44353%0.534SS..Hα-helixtrans-60.2-43.9174.6-69.3175.167.200112Q293 Y294 K295 A300 F301Q293-M297 HydrophobicContact CG-SD 4.44Å; Q293-M297 VanDerWaalsContact O-CG 3.32Å; Q293-M297 WeakPolarHBondContact O-CG 3.41Å; Q293-M297 PolarHBondContact O-N 2.86Å; Q293-M297 VanDerWaalsContact O-N 3.12Å; Y294-M297 HydrophobicContact CD1-SD 4.42Å; K295-M297 VanDerWaalsContact C-N 3.34Å; K295-M297 PolarHBondContact O-N 2.89Å; M297-A300 PolarHBondContact O-N 3.07Å; M297-F301 WeakPolarHBondContact O-CD2 2.99Å; M297-F301 PolarHBondContact O-N 2.8Å; M297-F301 VanDerWaalsContact O-N 3.11Å
298W88.9Confident87Confident207 Ų207104.9 Ų104.978%0.78453%0.531SS*.Hα-helixtrans-70.7-39.2-178.4-163.1-84.4000112.8Y294 K295 E296 A300 F301Y294-W298 VanDerWaalsContact O-CB 3.31Å; Y294-W298 WeakPolarHBondContact O-CB 3.44Å; Y294-W298 PolarHBondContact O-N 3.43Å; K295-W298 PolarHBondContact O-N 2.91Å; K295-W298 VanDerWaalsContact O-N 3.13Å; E296-W298 PolarHBondContact O-N 2.85Å; W298-A300 PolarHBondContact O-N 3.15Å; W298-F301 PolarHBondContact O-N 3.26Å
299D86Confident86.6Confident83 Ų83108.7 Ų108.744%0.44454%0.536SS..Hα-helixtrans-68.8-22.6175.7-73.4-18.3000112K295 Q302K295-D299 WeakPolarHBondContact CE-OD2 3.32Å; K295-D299 WeakPolarHBondContact O-CB 3.43Å; K295-D299 PolarHBondContact O-N 3.2Å; D299-Q302 WeakPolarHBondContact O-CG 3.41Å; D299-Q302 PolarHBondContact O-NE2 2.94Å
300A86.5Confident86.3Confident77 Ų77109.1 Ų109.164%0.63653%0.532SS*.Hα-helixtrans-80-36.4170.300000113.2E296 M297 W298 Q302E296-A300 WeakPolarHBondContact O-CB 3.42Å; E296-A300 PolarHBondContact O-N 3.33Å; M297-A300 PolarHBondContact O-N 3.07Å; W298-A300 PolarHBondContact O-N 3.15Å; A300-Q302 PolarHBondContact O-N 3.18Å
301F82.4Confident86.2Confident166 Ų166108 Ų10873%0.72854%0.541SS*.  trans-80.757.7178.2-73.3-60.7000113.2M297 W298M297-F301 WeakPolarHBondContact O-CD2 2.99Å; M297-F301 PolarHBondContact O-N 2.8Å; M297-F301 VanDerWaalsContact O-N 3.11Å; W298-F301 PolarHBondContact O-N 3.26Å
302Q81Confident86.1Confident94 Ų94105.5 Ų105.544%0.43954%0.536SS..PPolyproline II helixtrans-75.2127.4176.1-53.2-172.512.300110.8D299 A300 N307D299-Q302 WeakPolarHBondContact O-CG 3.41Å; D299-Q302 PolarHBondContact O-NE2 2.94Å; A300-Q302 PolarHBondContact O-N 3.18Å; Q302-N307 PolarHBondContact OE1-ND2 2.86Å; Q302-N307 PolarHBondContact OE1-OD1 2.88Å
303V77.6Confident86Confident100 Ų100108.6 Ų108.661%0.60655%0.545SS*.PPolyproline II helixtrans-63133.1176.6-179.30000109.6G305 D306V303-G305 PolarHBondContact O-N 3.29Å; V303-D306 HydrophobicContact CB-CB 4.41Å; V303-D306 VanDerWaalsContact O-CB 3.24Å; V303-D306 WeakPolarHBondContact O-CB 3.49Å; V303-D306 PolarHBondContact O-N 2.91Å
304P74.9Confident85.9Confident126 Ų126112.4 Ų112.482%0.81856%0.555SS**THydrogen-bonded Turntrans-51124.7177.9-30.436.6000112.8
305G76.2Confident85.9Confident42 Ų42110.4 Ų110.443%0.43355%0.55SS.*THydrogen-bonded Turntrans87.7-3.9-177.900000116.1V303 N307 V308 R309V303-G305 PolarHBondContact O-N 3.29Å; G305-N307 VanDerWaalsContact C-N 3.31Å; G305-N307 PolarHBondContact O-N 3.07Å; G305-V308 PolarHBondContact O-N 3Å; G305-R309 PolarHBondContact O-N 3.01Å; G305-R309 VanDerWaalsContact O-N 3.16Å
306D80.3Confident85.8Confident55 Ų55109.9 Ų109.929%0.29455%0.551SS.*Hα-helixtrans-64.9-32.7-177.9-166.255.2000113V303 R309 K310V303-D306 HydrophobicContact CB-CB 4.41Å; V303-D306 VanDerWaalsContact O-CB 3.24Å; V303-D306 WeakPolarHBondContact O-CB 3.49Å; V303-D306 PolarHBondContact O-N 2.91Å; D306-R309 WeakPolarHBondContact O-CB 3.35Å; D306-R309 PolarHBondContact O-N 3.36Å; D306-K310 WeakPolarHBondContact O-CG 3.5Å; D306-K310 PolarHBondContact O-N 2.67Å; D306-K310 WeakPolarHBondContact OD2-CE 3.48Å; D306-K310 IonicContact OD2-NZ 2.72Å; D306-K310 PolarHBondContact OD2-NZ 3.27Å
307N78.4Confident85.8Confident87 Ų87108.5 Ų108.547%0.46554%0.543SS..Hα-helixtrans-68-35.1175-66.9-27.3000113.3Q302 G305 R309 K310 A311Q302-N307 PolarHBondContact OE1-ND2 2.86Å; Q302-N307 PolarHBondContact OE1-OD1 2.88Å; G305-N307 VanDerWaalsContact C-N 3.31Å; G305-N307 PolarHBondContact O-N 3.07Å; N307-R309 VanDerWaalsContact C-N 3.32Å; N307-K310 PolarHBondContact O-N 3.25Å; N307-A311 PolarHBondContact O-N 3.48Å
308V78.6Confident85.8Confident108 Ų108109.1 Ų109.166%0.65555%0.545SS*.Hα-helixtrans-64.9-40.9172.6-177.10000110G305 A311 L312G305-V308 PolarHBondContact O-N 3Å; V308-A311 PolarHBondContact O-N 2.95Å; V308-L312 WeakPolarHBondContact O-CB 3.45Å; V308-L312 PolarHBondContact O-N 3.3Å
309R84.4Confident85.8Confident166 Ų166105.5 Ų105.563%0.62653%0.534SS*.Hα-helixtrans-66.5-37175.2-68.5175171.8-177.5-2.1112.6G305 D306 N307 R313G305-R309 PolarHBondContact O-N 3.01Å; G305-R309 VanDerWaalsContact O-N 3.16Å; D306-R309 WeakPolarHBondContact O-CB 3.35Å; D306-R309 PolarHBondContact O-N 3.36Å; N307-R309 VanDerWaalsContact C-N 3.32Å; R309-R313 WeakPolarHBondContact O-CB 3.33Å; R309-R313 WeakPolarHBondContact O-CD 3.03Å; R309-R313 WeakPolarHBondContact O-CG 3.04Å; R309-R313 PolarHBondContact O-N 2.91Å
310K87.4Confident85.8Confident89 Ų89108 Ų10839%0.38755%0.547SS..Hα-helixtrans-63.7-49.3173-76.4157.9170154.40111.1D306 N307 R313 W314D306-K310 WeakPolarHBondContact O-CG 3.5Å; D306-K310 PolarHBondContact O-N 2.67Å; D306-K310 WeakPolarHBondContact OD2-CE 3.48Å; D306-K310 IonicContact OD2-NZ 2.72Å; D306-K310 PolarHBondContact OD2-NZ 3.27Å; N307-K310 PolarHBondContact O-N 3.25Å; K310-R313 PolarHBondContact O-N 3.48Å; K310-W314 PolarHBondContact O-N 3.28Å
311A88.8Confident85.5Confident62 Ų62108.5 Ų108.551%0.51255%0.546SS..Hα-helixtrans-57.8-50.3177.100000111.9N307 V308 R313 W314 E315N307-A311 PolarHBondContact O-N 3.48Å; V308-A311 PolarHBondContact O-N 2.95Å; A311-R313 VanDerWaalsContact C-N 3.31Å; A311-R313 PolarHBondContact O-N 3.07Å; A311-W314 PolarHBondContact O-N 2.99Å; A311-E315 PolarHBondContact O-N 3.14Å
312L92.5Very high85.3Confident88 Ų88108.6 Ų108.646%0.46154%0.542SS..Hα-helixtrans-59.2-38.2176.7179.562.9000112.8V308 W314 E315 I316V308-L312 WeakPolarHBondContact O-CB 3.45Å; V308-L312 PolarHBondContact O-N 3.3Å; L312-W314 VanDerWaalsContact C-N 3.35Å; L312-E315 PolarHBondContact O-N 3.25Å; L312-I316 HydrophobicContact CD1-CD1 3.9Å; L312-I316 HydrophobicContact CD1-CG1 4.19Å; L312-I316 HydrophobicContact CG-CD1 3.85Å; L312-I316 WeakPolarHBondContact O-CB 3.31Å; L312-I316 VanDerWaalsContact O-CG1 3.24Å; L312-I316 WeakPolarHBondContact O-CG1 3.5Å; L312-I316 PolarHBondContact O-N 3.07Å
313R93.6Very high84.8Confident187 Ų187111.5 Ų111.571%0.70656%0.556SS**Hα-helixtrans-65.5-36.3174.9-76.7170-176.5-80.45.1112.4R309 K310 A311 K317R309-R313 WeakPolarHBondContact O-CB 3.33Å; R309-R313 WeakPolarHBondContact O-CD 3.03Å; R309-R313 WeakPolarHBondContact O-CG 3.04Å; R309-R313 PolarHBondContact O-N 2.91Å; K310-R313 PolarHBondContact O-N 3.48Å; A311-R313 VanDerWaalsContact C-N 3.31Å; A311-R313 PolarHBondContact O-N 3.07Å; R313-K317 VanDerWaalsContact O-CB 3.25Å; R313-K317 WeakPolarHBondContact O-CB 3.43Å; R313-K317 PolarHBondContact O-N 3.21Å
314W92.3Very high84.4Confident168 Ų168111.8 Ų111.864%0.63656%0.56SS**Hα-helixtrans-69.8-44.8174.5-77.5111.3000111.8K310 A311 L312 I316 K317 E318K310-W314 PolarHBondContact O-N 3.28Å; A311-W314 PolarHBondContact O-N 2.99Å; L312-W314 VanDerWaalsContact C-N 3.35Å; W314-I316 PolarHBondContact O-N 3.21Å; W314-K317 HydrophobicContact CE3-CD 3.97Å; W314-K317 HydrophobicContact CZ3-CD 3.93Å; W314-K317 VanDerWaalsContact CZ3-NZ 3.3Å; W314-K317 WeakPolarHBondContact O-CB 3.47Å; W314-K317 PolarHBondContact O-N 2.86Å; W314-E318 WeakPolarHBondContact O-CB 3.32Å; W314-E318 PolarHBondContact O-N 3.03Å
315E94Very high84.3Confident82 Ų82113.5 Ų113.538%0.38356%0.561SS.*Hα-helixtrans-60.1-43.1175.6-170.8-161.8158.700112.2A311 L312 E318 K319A311-E315 PolarHBondContact O-N 3.14Å; L312-E315 PolarHBondContact O-N 3.25Å; E315-E318 PolarHBondContact O-N 2.83Å; E315-K319 HydrophobicContact CG-CD 4.33Å; E315-K319 WeakPolarHBondContact O-CB 3.29Å; E315-K319 WeakPolarHBondContact O-CG 3.46Å; E315-K319 PolarHBondContact O-N 3.32Å; E315-K319 WeakPolarHBondContact OE1-CE 3.34Å; E315-K319 IonicContact OE1-NZ 3.29Å; E315-K319 PolarHBondContact OE1-NZ 3.32Å
316I92.5Very high84.2Confident83 Ų83116.5 Ų116.543%0.42657%0.573SS.*Hα-helixtrans-65.5-42.4174.9-70.1168.2000110.7L312 W314 E318 K319 L320L312-I316 HydrophobicContact CD1-CD1 3.9Å; L312-I316 HydrophobicContact CD1-CG1 4.19Å; L312-I316 HydrophobicContact CG-CD1 3.85Å; L312-I316 WeakPolarHBondContact O-CB 3.31Å; L312-I316 VanDerWaalsContact O-CG1 3.24Å; L312-I316 WeakPolarHBondContact O-CG1 3.5Å; L312-I316 PolarHBondContact O-N 3.07Å; W314-I316 PolarHBondContact O-N 3.21Å; I316-E318 VanDerWaalsContact C-N 3.34Å; I316-E318 PolarHBondContact O-N 2.99Å; I316-K319 PolarHBondContact O-N 3.36Å; I316-L320 HydrophobicContact CG2-CD1 3.84Å; I316-L320 HydrophobicContact CG2-CG 4.38Å; I316-L320 WeakPolarHBondContact O-CB 3.49Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.24Å; I316-L320 PolarHBondContact O-N 2.99Å
317K92.9Very high83.9Confident119 Ų119122.6 Ų122.652%0.51760%0.597SS.*Hα-helixtrans-62.5-41.3176.7175.5-179.2169.2-1760111.6R313 W314 L320 S321R313-K317 VanDerWaalsContact O-CB 3.25Å; R313-K317 WeakPolarHBondContact O-CB 3.43Å; R313-K317 PolarHBondContact O-N 3.21Å; W314-K317 HydrophobicContact CE3-CD 3.97Å; W314-K317 HydrophobicContact CZ3-CD 3.93Å; W314-K317 VanDerWaalsContact CZ3-NZ 3.3Å; W314-K317 WeakPolarHBondContact O-CB 3.47Å; W314-K317 PolarHBondContact O-N 2.86Å; K317-L320 PolarHBondContact O-N 3.35Å; K317-S321 WeakPolarHBondContact O-CB 3.47Å; K317-S321 PolarHBondContact O-N 3.07Å
318E92.4Very high83.9Confident103 Ų103124.5 Ų124.548%0.48161%0.614SS.*Hα-helixtrans-60.8-53.6174.3176.7174.8-149.500110.8W314 E315 I316 L320 S321 Y322W314-E318 WeakPolarHBondContact O-CB 3.32Å; W314-E318 PolarHBondContact O-N 3.03Å; E315-E318 PolarHBondContact O-N 2.83Å; I316-E318 VanDerWaalsContact C-N 3.34Å; I316-E318 PolarHBondContact O-N 2.99Å; E318-L320 PolarHBondContact O-N 3.16Å; E318-S321 WeakPolarHBondContact CA-OG 3.48Å; E318-S321 WeakPolarHBondContact O-CA 3.47Å; E318-S321 PolarHBondContact O-N 3.33Å; E318-S321 PolarHBondContact O-OG 2.89Å; E318-Y322 HydrophobicContact CG-CD2 4.04Å; E318-Y322 HydrophobicContact CG-CE2 3.67Å; E318-Y322 VanDerWaalsContact O-CD2 3.29Å; E318-Y322 WeakPolarHBondContact O-CD2 3.18Å; E318-Y322 PolarHBondContact O-N 3.48Å
319K89.1Confident83.8Confident131 Ų131130.4 Ų130.457%0.5763%0.625SS**Hα-helixtrans-59.1-30.4177.1-73.1173.2177.2177.50113.8E315 I316E315-K319 HydrophobicContact CG-CD 4.33Å; E315-K319 WeakPolarHBondContact O-CB 3.29Å; E315-K319 WeakPolarHBondContact O-CG 3.46Å; E315-K319 PolarHBondContact O-N 3.32Å; E315-K319 WeakPolarHBondContact OE1-CE 3.34Å; E315-K319 IonicContact OE1-NZ 3.29Å; E315-K319 PolarHBondContact OE1-NZ 3.32Å; I316-K319 PolarHBondContact O-N 3.36Å
320L85.3Confident83.5Confident134 Ų134134.3 Ų134.370%0.70264%0.64SS**Hα-helixtrans-80.8-26.9172.6-70.3172.8000113.4I316 K317 E318 Y322I316-L320 HydrophobicContact CG2-CD1 3.84Å; I316-L320 HydrophobicContact CG2-CG 4.38Å; I316-L320 WeakPolarHBondContact O-CB 3.49Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.24Å; I316-L320 PolarHBondContact O-N 2.99Å; K317-L320 PolarHBondContact O-N 3.35Å; E318-L320 PolarHBondContact O-N 3.16Å; L320-Y322 VanDerWaalsContact C-N 3.34Å
321S81Confident83.2Confident88 Ų88136.3 Ų136.362%0.61566%0.659SS**Hα-helixtrans-74.5-25.3174.373.60000112.8K317 E318 Q323K317-S321 WeakPolarHBondContact O-CB 3.47Å; K317-S321 PolarHBondContact O-N 3.07Å; E318-S321 WeakPolarHBondContact CA-OG 3.48Å; E318-S321 WeakPolarHBondContact O-CA 3.47Å; E318-S321 PolarHBondContact O-N 3.33Å; E318-S321 PolarHBondContact O-OG 2.89Å; S321-Q323 PolarHBondContact O-N 2.88Å
322Y77.4Confident82.9Confident168 Ų168142.3 Ų142.366%0.65967%0.67SS**  trans-71.661.2164.7-74.6-67.3000111.6E318 L320 P324E318-Y322 HydrophobicContact CG-CD2 4.04Å; E318-Y322 HydrophobicContact CG-CE2 3.67Å; E318-Y322 VanDerWaalsContact O-CD2 3.29Å; E318-Y322 WeakPolarHBondContact O-CD2 3.18Å; E318-Y322 PolarHBondContact O-N 3.48Å; L320-Y322 VanDerWaalsContact C-N 3.34Å; Y322-P324 VanDerWaalsContact O-CD 3.24Å; Y322-P324 WeakPolarHBondContact O-CD 3.26Å
323Q70.9Confident82.6Confident156 Ų156143.9 Ų143.973%0.72968%0.683SS**  trans-69.8114.5168.5-177.8171.3-4.400108.8S321S321-Q323 PolarHBondContact O-N 2.88Å
324P69.8Low82.3Confident106 Ų106139 Ų13969%0.68868%0.676SS**  trans-63.3146.7175.227.4-34.4000109.9Y322Y322-P324 VanDerWaalsContact O-CD 3.24Å; Y322-P324 WeakPolarHBondContact O-CD 3.26Å
325L73.4Confident81.9Confident161 Ų161137.3 Ų137.384%0.84368%0.679SS**  trans-42.7131.5-179.6-78.7153.8000111.2K327L325-K327 PolarHBondContact O-N 3.14Å
326P73.8Confident81.3Confident105 Ų105139.8 Ų139.868%0.68270%0.7SS**  trans-59.9114.8-169.623.2-33.5000110.2
327K74.3Confident80.7Confident183 Ų183142.7 Ų142.780%0.79671%0.706SS**  trans-48.8134179.9-67.5-177.9178.3-179.60109.6L325 R329L325-K327 PolarHBondContact O-N 3.14Å; K327-R329 PolarHBondContact O-N 2.92Å
328P77.7Confident79.7Confident127 Ų127142.9 Ų142.983%0.82572%0.717SS**  trans-55.8115.1-175.921.7-32.9000109.5R330P328-R330 PolarHBondContact O-N 3.12Å
329R76.8Confident78.9Confident233 Ų233143.1 Ų143.188%0.87973%0.726SS**PPolyproline II helixtrans-65.9128.7-178.3-65.9-174.9178.9-165.60.2108K327 V331K327-R329 PolarHBondContact O-N 2.92Å; R329-V331 PolarHBondContact O-N 3.31Å; R329-V331 VanDerWaalsContact O-N 3.13Å
330R77.9Confident77.9Confident248 Ų248139.8 Ų139.894%0.93672%0.718SS**PPolyproline II helixtrans-56.6120.8171.6-80-176.9163.3-175.6-6.5108.5P328 Y332P328-R330 PolarHBondContact O-N 3.12Å; R330-Y332 PolarHBondContact O-N 3.38Å
331V81Confident77Confident131 Ų131138 Ų13879%0.79471%0.712SS**PPolyproline II helixtrans-59.5135.2174.9-179.80000108.3R329 V333R329-V331 PolarHBondContact O-N 3.31Å; R329-V331 VanDerWaalsContact O-N 3.13Å; V331-V333 PolarHBondContact O-N 3.02Å
332Y83.4Confident76.1Confident187 Ų187139.6 Ų139.673%0.73371%0.71SS**  trans-68.7113.8177.4177.1-98.6000109.6R330 P334R330-Y332 PolarHBondContact O-N 3.38Å; Y332-P334 HydrophobicContact CD1-CG 4.17Å; Y332-P334 HydrophobicContact CE1-CB 4.08Å; Y332-P334 HydrophobicContact CE1-CG 3.89Å
333V85.6Confident75.3Confident121 Ų121139.5 Ų139.573%0.73371%0.713SS**  trans-93.5115.8170-1790000107.4V331V331-V333 PolarHBondContact O-N 3.02Å
334P86.5Confident75.2Confident86 Ų86139.7 Ų139.756%0.55871%0.711SS**  trans-60.5144.5176.6-22.133.1000111.8Y332 T336Y332-P334 HydrophobicContact CD1-CG 4.17Å; Y332-P334 HydrophobicContact CE1-CB 4.08Å; Y332-P334 HydrophobicContact CE1-CG 3.89Å; P334-T336 PolarHBondContact O-N 2.96Å
335N84.3Confident75.3Confident132 Ų132140.9 Ų140.971%0.70670%0.702SS**  trans-73.2117.7177.8-177.93.8000110.8Y337N335-Y337 PolarHBondContact O-N 3.49Å; N335-Y337 VanDerWaalsContact O-N 3.1Å; N335-Y337 VanDerWaalsContact OD1-CB 3.27Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.41Å; N335-Y337 PolarHBondContact OD1-N 3.36Å
336T81.7Confident75.5Confident134 Ų134136 Ų13682%0.82268%0.681SS**  trans-70.22.6178-240000114.3P334 T338P334-T336 PolarHBondContact O-N 2.96Å; T336-T338 PolarHBondContact O-N 2.93Å
337Y80.7Confident75.9Confident143 Ų143137.1 Ų137.156%0.56168%0.678SS**  trans-63.698.1178.7-174.3-100.7000112.2N335 V339 P340N335-Y337 PolarHBondContact O-N 3.49Å; N335-Y337 VanDerWaalsContact O-N 3.1Å; N335-Y337 VanDerWaalsContact OD1-CB 3.27Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.41Å; N335-Y337 PolarHBondContact OD1-N 3.36Å; Y337-V339 HydrophobicContact CD1-CG2 4.13Å; Y337-V339 HydrophobicContact CE1-CB 4.37Å; Y337-V339 HydrophobicContact CE1-CG2 3.98Å; Y337-V339 PolarHBondContact O-N 3.34Å; Y337-P340 WeakPolarHBondContact OH-CD 3.48Å
338T71.8Confident76.3Confident123 Ų123133.6 Ų133.676%0.75567%0.667SS**  trans-72.5110.8165.346.70000108.7T336 P340T336-T338 PolarHBondContact O-N 2.93Å; T338-P340 VanDerWaalsContact O-CD 3.24Å; T338-P340 WeakPolarHBondContact O-CD 3.15Å; T338-P340 VanDerWaalsContact O-N 3.11Å
339V74.2Confident76.9Confident109 Ų109134.4 Ų134.466%0.66165%0.653SS**  trans-54.9118.5173.91800000108.2Y337 T341Y337-V339 HydrophobicContact CD1-CG2 4.13Å; Y337-V339 HydrophobicContact CE1-CB 4.37Å; Y337-V339 HydrophobicContact CE1-CG2 3.98Å; Y337-V339 PolarHBondContact O-N 3.34Å; V339-T341 PolarHBondContact O-N 2.89Å
340P68.6Low77.2Confident61 Ų61130.7 Ų130.740%0.39664%0.639SS.*  trans-59.8108.6-176.2-26.735.5000109.9Y337 T338 Q342Y337-P340 WeakPolarHBondContact OH-CD 3.48Å; T338-P340 VanDerWaalsContact O-CD 3.24Å; T338-P340 WeakPolarHBondContact O-CD 3.15Å; T338-P340 VanDerWaalsContact O-N 3.11Å; P340-Q342 PolarHBondContact O-N 3.09Å
341T66.2Low77.7Confident95 Ų95121.7 Ų121.758%0.58361%0.612SS**  trans-57.7136.9-167.658.60000110.2V339 K343 K344V339-T341 PolarHBondContact O-N 2.89Å; T341-K343 PolarHBondContact O-N 2.97Å; T341-K344 PolarHBondContact O-N 2.88Å
342Q61.7Low78Confident122 Ų122119.4 Ų119.457%0.5760%0.595SS**Hα-helixtrans-53.2-26.8-172.9-167.976-54.500112P340 K344 R345 S346P340-Q342 PolarHBondContact O-N 3.09Å; Q342-K344 PolarHBondContact O-N 3.42Å; Q342-R345 CarbonylContact O-C 3.39Å; Q342-R345 WeakPolarHBondContact O-CA 3.49Å; Q342-R345 PolarHBondContact O-N 2.93Å; Q342-S346 PolarHBondContact O-N 3.36Å; Q342-S346 PolarHBondContact O-OG 3.23Å
343K61.9Low78.4Confident166 Ų166117.9 Ų117.972%0.72259%0.588SS**Hα-helixtrans-48.6-48.7173.1-158.2174-174.9-178.80113.7T341 R345 S346 E347T341-K343 PolarHBondContact O-N 2.97Å; K343-R345 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.06Å; K343-S346 VanDerWaalsContact CA-OG 3.27Å; K343-S346 WeakPolarHBondContact CA-OG 3.31Å; K343-S346 PolarHBondContact O-N 3.12Å; K343-S346 PolarHBondContact O-OG 3.25Å; K343-E347 WeakPolarHBondContact O-CB 3.23Å; K343-E347 PolarHBondContact O-N 2.94Å
344K69.2Low78.6Confident160 Ų160115.4 Ų115.470%0.69657%0.57SS**Hα-helixtrans-68.6-29178-72.8-160.1173.3-167.70112.9T341 Q342 L348T341-K344 PolarHBondContact O-N 2.88Å; Q342-K344 PolarHBondContact O-N 3.42Å; K344-L348 PolarHBondContact O-N 2.97Å
345R70.7Confident78.7Confident132 Ų132114 Ų11450%0.49856%0.558SS.*Hα-helixtrans-78-34.5172.9-62.6-169.3-170-141.65.6112.3Q342 K343 R349Q342-R345 CarbonylContact O-C 3.39Å; Q342-R345 WeakPolarHBondContact O-CA 3.49Å; Q342-R345 PolarHBondContact O-N 2.93Å; K343-R345 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.06Å; R345-R349 WeakPolarHBondContact O-CB 3.38Å; R345-R349 WeakPolarHBondContact O-CD 3.36Å; R345-R349 WeakPolarHBondContact O-CG 3.1Å; R345-R349 PolarHBondContact O-N 3.43Å
346S78.3Confident78.9Confident57 Ų57112.2 Ų112.240%0.39955%0.548SS..Hα-helixtrans-70.4-34.9177.950.60000112.6Q342 K343 W350Q342-S346 PolarHBondContact O-N 3.36Å; Q342-S346 PolarHBondContact O-OG 3.23Å; K343-S346 VanDerWaalsContact CA-OG 3.27Å; K343-S346 WeakPolarHBondContact CA-OG 3.31Å; K343-S346 PolarHBondContact O-N 3.12Å; K343-S346 PolarHBondContact O-OG 3.25Å; S346-W350 WeakPolarHBondContact O-CB 3.48Å; S346-W350 PolarHBondContact O-N 3.12Å
347E81.6Confident79.1Confident130 Ų130109.7 Ų109.761%0.60754%0.54SS*.Hα-helixtrans-60.7-59.2171.9-175.6173.8-167.500110.5K343 R349 W350 T351K343-E347 WeakPolarHBondContact O-CB 3.23Å; K343-E347 PolarHBondContact O-N 2.94Å; E347-R349 VanDerWaalsContact C-N 3.3Å; E347-R349 PolarHBondContact O-N 3.37Å; E347-W350 WeakPolarHBondContact O-CA 3.41Å; E347-W350 WeakPolarHBondContact O-CB 3.39Å; E347-W350 PolarHBondContact O-N 3.18Å; E347-T351 PolarHBondContact O-N 3.39Å; E347-T351 PolarHBondContact O-OG1 3.49Å
348L83.1Confident79.4Confident108 Ų108107.4 Ų107.457%0.56554%0.538SS*.Hα-helixtrans-54-43174.9-179.264.2000113K344 W350 T351 I352K344-L348 PolarHBondContact O-N 2.97Å; L348-W350 VanDerWaalsContact C-N 3.28Å; L348-W350 PolarHBondContact O-N 3.48Å; L348-T351 PolarHBondContact O-N 3.47Å; L348-I352 HydrophobicContact CD1-CD1 3.97Å; L348-I352 HydrophobicContact CD1-CG1 4.37Å; L348-I352 HydrophobicContact CG-CD1 3.91Å; L348-I352 WeakPolarHBondContact O-CB 3.41Å; L348-I352 VanDerWaalsContact O-CG1 3.3Å; L348-I352 WeakPolarHBondContact O-CG1 3.33Å; L348-I352 PolarHBondContact O-N 2.97Å
349R88.8Confident79.8Confident145 Ų145112.1 Ų112.155%0.54754%0.542SS..Hα-helixtrans-66-26.1175.3-77.7170171.2-168.5-4.2113.3R345 E347 R353R345-R349 WeakPolarHBondContact O-CB 3.38Å; R345-R349 WeakPolarHBondContact O-CD 3.36Å; R345-R349 WeakPolarHBondContact O-CG 3.1Å; R345-R349 PolarHBondContact O-N 3.43Å; E347-R349 VanDerWaalsContact C-N 3.3Å; E347-R349 PolarHBondContact O-N 3.37Å; R349-R353 WeakPolarHBondContact O-CG 3.36Å; R349-R353 PolarHBondContact O-N 2.96Å; R349-R353 PolarHBondContact O-NE 3.37Å; R349-R353 PolarHBondContact O-NH2 3.03Å
350W85Confident80Confident154 Ų154115.9 Ų115.958%0.58354%0.544SS*.Hα-helixtrans-78.6-47.3175.1-178.388.4000110.4S346 E347 L348 I352 R353 N354S346-W350 WeakPolarHBondContact O-CB 3.48Å; S346-W350 PolarHBondContact O-N 3.12Å; E347-W350 WeakPolarHBondContact O-CA 3.41Å; E347-W350 WeakPolarHBondContact O-CB 3.39Å; E347-W350 PolarHBondContact O-N 3.18Å; L348-W350 VanDerWaalsContact C-N 3.28Å; L348-W350 PolarHBondContact O-N 3.48Å; W350-I352 PolarHBondContact O-N 3.31Å; W350-R353 PolarHBondContact O-N 2.94Å; W350-R353 VanDerWaalsContact O-N 3.11Å; W350-N354 WeakPolarHBondContact O-CB 3.34Å; W350-N354 PolarHBondContact O-N 3.01Å
351T87.1Confident80.1Confident59 Ų59119.1 Ų119.136%0.36256%0.558SS.*Hα-helixtrans-53.7-52.5174.8-47.10000111.1E347 L348 R353 N354 D355E347-T351 PolarHBondContact O-N 3.39Å; E347-T351 PolarHBondContact O-OG1 3.49Å; L348-T351 PolarHBondContact O-N 3.47Å; T351-R353 VanDerWaalsContact C-N 3.32Å; T351-R353 PolarHBondContact O-N 3.27Å; T351-N354 WeakPolarHBondContact O-CB 3.26Å; T351-N354 PolarHBondContact O-N 3.29Å; T351-N354 VanDerWaalsContact O-N 3.07Å; T351-D355 PolarHBondContact O-N 2.83Å
352I88.1Confident80.1Confident84 Ų84119.8 Ų119.843%0.43156%0.564SS.*Hα-helixtrans-58.9-39.3178.1-67.8167.7000112.4L348 W350 L356L348-I352 HydrophobicContact CD1-CD1 3.97Å; L348-I352 HydrophobicContact CD1-CG1 4.37Å; L348-I352 HydrophobicContact CG-CD1 3.91Å; L348-I352 WeakPolarHBondContact O-CB 3.41Å; L348-I352 VanDerWaalsContact O-CG1 3.3Å; L348-I352 WeakPolarHBondContact O-CG1 3.33Å; L348-I352 PolarHBondContact O-N 2.97Å; W350-I352 PolarHBondContact O-N 3.31Å; I352-L356 HydrophobicContact CG2-CD1 3.92Å; I352-L356 HydrophobicContact CG2-CG 4.46Å; I352-L356 WeakPolarHBondContact O-CB 3.42Å; I352-L356 WeakPolarHBondContact O-CG 3.11Å; I352-L356 PolarHBondContact O-N 2.98Å
353R90.9Very high80.3Confident155 Ų155121.8 Ų121.859%0.58557%0.573SS**Hα-helixtrans-68.6-38.6176.4-83.5177.7-68.2145.63.5112.2R349 W350 T351 A357R349-R353 WeakPolarHBondContact O-CG 3.36Å; R349-R353 PolarHBondContact O-N 2.96Å; R349-R353 PolarHBondContact O-NE 3.37Å; R349-R353 PolarHBondContact O-NH2 3.03Å; W350-R353 PolarHBondContact O-N 2.94Å; W350-R353 VanDerWaalsContact O-N 3.11Å; T351-R353 VanDerWaalsContact C-N 3.32Å; T351-R353 PolarHBondContact O-N 3.27Å; R353-A357 WeakPolarHBondContact O-CB 3.31Å; R353-A357 PolarHBondContact O-N 2.85Å
354N89.8Confident80.4Confident69 Ų69122.7 Ų122.737%0.36958%0.577SS.*Hα-helixtrans-66.5-43.9176.3-17566.7000111.2W350 T351 A357 N358W350-N354 WeakPolarHBondContact O-CB 3.34Å; W350-N354 PolarHBondContact O-N 3.01Å; T351-N354 WeakPolarHBondContact O-CB 3.26Å; T351-N354 PolarHBondContact O-N 3.29Å; T351-N354 VanDerWaalsContact O-N 3.07Å; N354-A357 PolarHBondContact O-N 3.41Å; N354-N358 WeakPolarHBondContact O-CB 3.46Å; N354-N358 PolarHBondContact O-N 2.9Å; N354-N358 PolarHBondContact O-ND2 3.1Å; N354-N358 PolarHBondContact OD1-ND2 3.21Å
355D89.3Confident80Confident55 Ų55123.8 Ų123.829%0.29458%0.582SS.*Hα-helixtrans-63.9-43.4177.5-67.4-30.8000111.6T351 N358 R359 R360T351-D355 PolarHBondContact O-N 2.83Å; D355-N358 CarbonylContact O-C 3.57Å; D355-N358 PolarHBondContact O-N 3.5Å; D355-R359 PolarHBondContact O-N 3.29Å; D355-R360 HydrophobicContact CB-CB 4.29Å; D355-R360 PolarHBondContact O-N 2.83Å
356L87.5Confident79.2Confident95 Ų95124.4 Ų124.450%0.49760%0.595SS.*Hα-helixtrans-62.1-43.1173.8-73.3170.8000112.7I352 N358 R359 L361I352-L356 HydrophobicContact CG2-CD1 3.92Å; I352-L356 HydrophobicContact CG2-CG 4.46Å; I352-L356 WeakPolarHBondContact O-CB 3.42Å; I352-L356 WeakPolarHBondContact O-CG 3.11Å; I352-L356 PolarHBondContact O-N 2.98Å; L356-N358 VanDerWaalsContact C-N 3.3Å; L356-N358 PolarHBondContact O-N 2.93Å; L356-R359 PolarHBondContact O-N 2.9Å; L356-L361 HydrophobicContact CD2-CD2 3.83Å
357A86.9Confident78Confident81 Ų81126.4 Ų126.467%0.66961%0.609SS**Hα-helixtrans-61.7-39.1175.900000112R353 N354 R359R353-A357 WeakPolarHBondContact O-CB 3.31Å; R353-A357 PolarHBondContact O-N 2.85Å; N354-A357 PolarHBondContact O-N 3.41Å; A357-R359 PolarHBondContact O-N 2.83Å
358N86.6Confident76.5Confident95 Ų95128.9 Ų128.951%0.50862%0.621SS.*THydrogen-bonded Turntrans-83.29.7175.2-68.7-72.5000113.6N354 D355 L356 R360N354-N358 WeakPolarHBondContact O-CB 3.46Å; N354-N358 PolarHBondContact O-N 2.9Å; N354-N358 PolarHBondContact O-ND2 3.1Å; N354-N358 PolarHBondContact OD1-ND2 3.21Å; D355-N358 CarbonylContact O-C 3.57Å; D355-N358 PolarHBondContact O-N 3.5Å; L356-N358 VanDerWaalsContact C-N 3.3Å; L356-N358 PolarHBondContact O-N 2.93Å; N358-R360 HydrophobicContact CB-CG 4.35Å; N358-R360 PolarHBondContact O-N 3.38Å
359R80Confident74.6Confident223 Ų223136.4 Ų136.484%0.84265%0.649SS**THydrogen-bonded Turntrans53.220.2-176.3-60.2-170.6178-157.30.7115.5D355 L356 A357 L361D355-R359 PolarHBondContact O-N 3.29Å; L356-R359 PolarHBondContact O-N 2.9Å; A357-R359 PolarHBondContact O-N 2.83Å; R359-L361 VanDerWaalsContact C-N 3.27Å; R359-L361 PolarHBondContact O-N 3.31Å
360R77.8Confident73.9Confident187 Ų187136 Ų13671%0.70666%0.655SS**  trans-80.274.2174.2-65.6-174.2178.1-163.6-2109.7D355 N358D355-R360 HydrophobicContact CB-CB 4.29Å; D355-R360 PolarHBondContact O-N 2.83Å; N358-R360 HydrophobicContact CB-CG 4.35Å; N358-R360 PolarHBondContact O-N 3.38Å
361L72.2Confident73.3Confident129 Ų129135.1 Ų135.168%0.67566%0.658SS**PPolyproline II helixtrans-61.7140.3171.9-68.9173.8000109.9L356 R359 Q363L356-L361 HydrophobicContact CD2-CD2 3.83Å; R359-L361 VanDerWaalsContact C-N 3.27Å; R359-L361 PolarHBondContact O-N 3.31Å; L361-Q363 PolarHBondContact O-N 3.05Å
362P66.3Low72.6Confident109 Ų109139.3 Ų139.371%0.70868%0.675SS**PPolyproline II helixtrans-59.8135.3176.425.3-33.8000109.9K364P362-K364 PolarHBondContact O-N 2.73Å
363Q64.4Low71.7Confident164 Ų164142.5 Ų142.577%0.76669%0.689SS**PPolyproline II helixtrans-51.6124.3177.2-169.3107.1-10.300109.1L361 F365L361-Q363 PolarHBondContact O-N 3.05Å; Q363-F365 WeakPolarHBondContact O-CD2 3.39Å; Q363-F365 PolarHBondContact O-N 3.42Å
364K65.9Low70.5Confident186 Ų186141.8 Ų141.881%0.80970%0.696SS**  trans-65.2104.4174.9-70.7-173.4179.7-177.50108.6P362 N366P362-K364 PolarHBondContact O-N 2.73Å; K364-N366 PolarHBondContact O-N 2.88Å; K364-N366 VanDerWaalsContact O-N 3.15Å
365F60Low69.2Low182 Ų182146.6 Ų146.680%0.79872%0.717SS**  trans-66.8110.1166.6-59.2-75.1000107.6Q363 S367Q363-F365 WeakPolarHBondContact O-CD2 3.39Å; Q363-F365 PolarHBondContact O-N 3.42Å; F365-S367 VanDerWaalsContact C-N 3.27Å; F365-S367 PolarHBondContact O-N 3.36Å
366N54.4Low67.7Low146 Ų146153.1 Ų153.178%0.78175%0.748SS**  trans-70.987.3172.9-74.1-15.3000108.4K364 Q368K364-N366 PolarHBondContact O-N 2.88Å; K364-N366 VanDerWaalsContact O-N 3.15Å; N366-Q368 VanDerWaalsContact C-N 3.31Å; N366-Q368 PolarHBondContact O-N 2.61Å
367S52.5Low66.2Low98 Ų98157.6 Ų157.669%0.68577%0.767SS**  trans-71.286.6172.655.50000109.8F365F365-S367 VanDerWaalsContact C-N 3.27Å; F365-S367 PolarHBondContact O-N 3.36Å
368Q49.6Very low64.5Low182 Ų182164 Ų16485%0.8578%0.775SS**  trans-67.9124.9160.5-75-179.4-73.100108.9N366N366-Q368 VanDerWaalsContact C-N 3.31Å; N366-Q368 PolarHBondContact O-N 2.61Å
369F44.2Very low62.5Low267 Ų267170.3 Ų170.3100%1.17180%0.799SS**  trans-144.20163.6-79.6-70.3000107.1

Retrieved 369 of 369 residues in 55.2 ms (Link to these results)