A0A096NE99_PAPAN Loading...

Stimulator of interferon genes protein

AlphaFold DB , UniProt , Accession A0A096NE99, Species PAPAN (Papio anubis, Olive baboon), Gene STING1, Length 379 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
1M51.9Low75Confident232 Ų232123.6 Ų123.6100%1.14368%0.683SS**  0117.40-78.7175.716600107.6R3M1-R3 PolarHBondContact O-N 2.98Å
2T55.8Low75.9Confident128 Ų128116.8 Ų116.879%0.78565%0.649SS**PPolyproline II helixtrans-65120.8168.440.20000107.4C12T2-C12 PolarHBondContact O-SG 3.21Å
3R65.3Low76.6Confident210 Ų210117.2 Ų117.279%0.79266%0.66SS**PPolyproline II helixtrans-94.7147.3172.3-74.7-178.7175.4172.2-1.4108.3M1 S5M1-R3 PolarHBondContact O-N 2.98Å; R3-S5 PolarHBondContact O-N 3.14Å
4S72.8Confident77.3Confident36 Ų36117.6 Ų117.625%0.25265%0.646SS.*PPolyproline II helixtrans-61133.4170.7177.50000108.8L6 C12S4-L6 PolarHBondContact O-N 2.92Å; S4-L6 PolarHBondContact OG-N 2.87Å; S4-C12 PolarHBondContact N-SG 3.47Å
5S81.3Confident78Confident128 Ų128114 Ų11490%0.89565%0.646SS**SBendtrans-70.6-15.3177.154.50000112.8R3R3-S5 PolarHBondContact O-N 3.14Å
6L78.5Confident78.7Confident145 Ų145115.1 Ų115.176%0.75964%0.644SS**SBendtrans-83.9-51.3-177.3-135.5100.4000112.1S4 I10S4-L6 PolarHBondContact O-N 2.92Å; S4-L6 PolarHBondContact OG-N 2.87Å; L6-I10 HydrophobicContact CB-CD1 4Å; L6-I10 HydrophobicContact CD2-CD1 3.91Å
7H86.3Confident79.4Confident102 Ų102111.4 Ų111.447%0.47264%0.637SS.*  trans-160.1141.1177.8-169.6-97.6000111S9 I10H7-S9 PolarHBondContact CE1-OG 3.35Å; H7-S9 WeakPolarHBondContact ND1-CB 3.32Å; H7-S9 PolarHBondContact ND1-N 2.67Å; H7-S9 VanDerWaalsContact ND1-N 3.15Å; H7-S9 PolarHBondContact ND1-OG 3.37Å; H7-S9 PolarHBondContact O-N 3.43Å; H7-I10 HydrophobicContact CB-CD1 3.82Å; H7-I10 HydrophobicContact CB-CG1 4.13Å; H7-I10 PolarHBondContact O-N 2.95Å
8P83.4Confident80Confident97 Ų97109.8 Ų109.863%0.6364%0.64SS**THydrogen-bonded Turntrans-59.4-28.7-178.4-25.534.5000115.2I10P8-I10 VanDerWaalsContact C-N 3.31Å
9S84.1Confident80.6Confident98 Ų98111.2 Ų111.269%0.68564%0.64SS**THydrogen-bonded Turntrans-80.6-7.7179-46.40000114.1H7H7-S9 PolarHBondContact CE1-OG 3.35Å; H7-S9 WeakPolarHBondContact ND1-CB 3.32Å; H7-S9 PolarHBondContact ND1-N 2.67Å; H7-S9 VanDerWaalsContact ND1-N 3.15Å; H7-S9 PolarHBondContact ND1-OG 3.37Å; H7-S9 PolarHBondContact O-N 3.43Å
10I81.2Confident81.3Confident74 Ų74113.2 Ų113.238%0.37964%0.64SS.*SBendtrans-81.4122.4176.8-67.7167.4000108.3L6 H7 P8L6-I10 HydrophobicContact CB-CD1 4Å; L6-I10 HydrophobicContact CD2-CD1 3.91Å; H7-I10 HydrophobicContact CB-CD1 3.82Å; H7-I10 HydrophobicContact CB-CG1 4.13Å; H7-I10 PolarHBondContact O-N 2.95Å; P8-I10 VanDerWaalsContact C-N 3.31Å
11P84Confident82Confident110 Ų110110.8 Ų110.871%0.71464%0.635SS**PPolyproline II helixtrans-63.3140.2179.926.9-34.1000110.6
12C85.7Confident84Confident42 Ų42102.5 Ų102.528%0.28460%0.603SS.*PPolyproline II helixtrans-80.5156.6169.7-68.90000110.5T2 S4 R14T2-C12 PolarHBondContact O-SG 3.21Å; S4-C12 PolarHBondContact N-SG 3.47Å; C12-R14 PolarHBondContact O-N 3.37Å
13P85.3Confident85.8Confident121 Ų121101.7 Ų101.779%0.78659%0.594SS**PPolyproline II helixtrans-53.3141.4172.1-24.733.9000111.7G15P13-G15 PolarHBondContact O-N 3.47Å
14R86.2Confident87.3Confident124 Ų12496.4 Ų96.447%0.46859%0.585SS.*PPolyproline II helixtrans-62.6132.9177-68.8-178.417193.6-5.2110.5C12 A142 S145 E149C12-R14 PolarHBondContact O-N 3.37Å; R14-A142 PolarHBondContact NH2-O 3.41Å; R14-S145 PolarHBondContact NH1-OG 3.06Å; R14-S145 VanDerWaalsContact NH1-OG 3.13Å; R14-S145 PolarHBondContact NH2-OG 3.27Å; R14-E149 IonicContact CZ-OE1 3.01Å; R14-E149 IonicContact CZ-OE2 3.46Å; R14-E149 IonicContact NH1-OE1 3.99Å; R14-E149 PolarHBondContact NH1-OE1 3.04Å; R14-E149 IonicContact NH1-OE2 2.83Å; R14-E149 PolarHBondContact NH1-OE2 3.41Å; R14-E149 IonicContact NH2-OE1 3.6Å
15G87.8Confident88.4Confident63 Ų63100 Ų10065%0.64960%0.6SS**  trans-105.5-173.317700000113.5P13 G17P13-G15 PolarHBondContact O-N 3.47Å; G15-G17 PolarHBondContact O-N 2.99Å
16H89.4Confident88.8Confident132 Ų13298.7 Ų98.761%0.61158%0.583SS**THydrogen-bonded Turntrans-80.628.5-177.2-56.594.8000114.4Q19 K20H16-Q19 PolarHBondContact CD2-OE1 2.79Å; H16-K20 PolarHBondContact O-N 3.16Å
17G90.6Very high89.5Confident51 Ų5195.6 Ų95.653%0.52657%0.57SS.*Hα-helixtrans-62.6-45.8-174.400000113.1G15 Q19 K20 A21G15-G17 PolarHBondContact O-N 2.99Å; G17-Q19 PolarHBondContact O-N 3.49Å; G17-K20 PolarHBondContact O-N 3.48Å; G17-A21 PolarHBondContact O-N 2.82Å; G17-A21 VanDerWaalsContact O-N 3.07Å
18A90.6Very high89.8Confident83 Ų8393.2 Ų93.269%0.68657%0.568SS**Hα-helixtrans-62.4-41.2-179.200000112.6K20 A21 A22A18-K20 PolarHBondContact O-N 3.37Å; A18-A21 PolarHBondContact O-N 3.01Å; A18-A22 WeakPolarHBondContact O-CB 3.16Å; A18-A22 PolarHBondContact O-N 3.38Å
19Q92.1Very high90.1Very high136 Ų13691.5 Ų91.564%0.63656%0.558SS**Hα-helixtrans-63.3-41.9178.5-69.6176.6-12.100112H16 G17 A22 L23H16-Q19 PolarHBondContact CD2-OE1 2.79Å; G17-Q19 PolarHBondContact O-N 3.49Å; Q19-A22 PolarHBondContact O-N 3.05Å; Q19-L23 PolarHBondContact O-N 2.67Å
20K94Very high90.2Very high151 Ų15191.7 Ų91.766%0.65755%0.551SS**Hα-helixtrans-65.1-44.3176.8-67.7-179.5-179-174.20111.6H16 G17 A18 L23 V24H16-K20 PolarHBondContact O-N 3.16Å; G17-K20 PolarHBondContact O-N 3.48Å; A18-K20 PolarHBondContact O-N 3.37Å; K20-L23 PolarHBondContact O-N 2.88Å; K20-V24 WeakPolarHBondContact O-CG2 3.38Å; K20-V24 PolarHBondContact O-N 3.33Å; K20-V24 VanDerWaalsContact O-N 3.11Å
21A95.1Very high90.5Very high63 Ų6390.4 Ų90.452%0.52156%0.556SS.*Hα-helixtrans-63.3-42.7177.500000112G17 A18 L23 V24 L25G17-A21 PolarHBondContact O-N 2.82Å; G17-A21 VanDerWaalsContact O-N 3.07Å; A18-A21 PolarHBondContact O-N 3.01Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.94Å; A21-V24 PolarHBondContact O-N 2.87Å; A21-L25 PolarHBondContact O-N 3.29Å
22A94.1Very high90.7Very high58 Ų5889.2 Ų89.248%0.47955%0.546SS..Hα-helixtrans-60.8-40.9176.200000112.2A18 Q19 L25 L26A18-A22 WeakPolarHBondContact O-CB 3.16Å; A18-A22 PolarHBondContact O-N 3.38Å; Q19-A22 PolarHBondContact O-N 3.05Å; A22-L25 PolarHBondContact O-N 2.87Å; A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 PolarHBondContact O-N 2.77Å
23L94.6Very high90.7Very high112 Ų11290.2 Ų90.259%0.58655%0.549SS*.Hα-helixtrans-62.5-45.4175.8-177.965.7000111.8Q19 K20 A21 L25 L26 T27Q19-L23 PolarHBondContact O-N 2.67Å; K20-L23 PolarHBondContact O-N 2.88Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.94Å; L23-L25 PolarHBondContact O-N 2.67Å; L23-L26 PolarHBondContact O-N 2.8Å; L23-T27 WeakPolarHBondContact O-CG2 3.37Å; L23-T27 PolarHBondContact O-N 3.22Å; L23-T27 PolarHBondContact O-OG1 3.3Å
24V96.1Very high90.5Very high99 Ų9995 Ų9560%0.655%0.551SS**Hα-helixtrans-60.4-47.4177.1172.50000110.6K20 A21 L26 T27 A28K20-V24 WeakPolarHBondContact O-CG2 3.38Å; K20-V24 PolarHBondContact O-N 3.33Å; K20-V24 VanDerWaalsContact O-N 3.11Å; A21-V24 PolarHBondContact O-N 2.87Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.22Å; V24-T27 PolarHBondContact O-N 3.49Å; V24-T27 PolarHBondContact O-OG1 3.07Å; V24-A28 PolarHBondContact O-N 2.92Å
25L95.5Very high90.5Very high112 Ų11292.4 Ų92.459%0.58656%0.562SS**Hα-helixtrans-59.9-44.6178.1-175.964.5000111.6A21 A22 L23 T27 A28 C29A21-L25 PolarHBondContact O-N 3.29Å; A22-L25 PolarHBondContact O-N 2.87Å; L23-L25 PolarHBondContact O-N 2.67Å; L25-T27 PolarHBondContact O-N 3.49Å; L25-A28 PolarHBondContact O-N 3.23Å; L25-C29 PolarHBondContact O-N 2.77Å; L25-C29 PolarHBondContact O-SG 2.89Å; L25-C29 VanDerWaalsContact O-SG 3.33Å
26L91.2Very high90.4Very high100 Ų10095.4 Ų95.452%0.52456%0.563SS.*Hα-helixtrans-59.6-45.2177.3-179.8136.3000111.7A22 L23 V24 A28 C29 L30A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 PolarHBondContact O-N 2.77Å; L23-L26 PolarHBondContact O-N 2.8Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.22Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 2.9Å; L26-C29 PolarHBondContact O-N 3.12Å; L26-L30 HydrophobicContact CD2-CD1 3.72Å; L26-L30 HydrophobicContact CG-CD1 4.25Å; L26-L30 WeakPolarHBondContact O-CG 3.28Å; L26-L30 PolarHBondContact O-N 3.26Å
27T91.8Very high90Very high79 Ų7992.4 Ų92.449%0.48557%0.568SS.*Hα-helixtrans-64.2-38177.257.50000112.6L23 V24 L25 G31L23-T27 WeakPolarHBondContact O-CG2 3.37Å; L23-T27 PolarHBondContact O-N 3.22Å; L23-T27 PolarHBondContact O-OG1 3.3Å; V24-T27 PolarHBondContact O-N 3.49Å; V24-T27 PolarHBondContact O-OG1 3.07Å; L25-T27 PolarHBondContact O-N 3.49Å; T27-G31 PolarHBondContact O-N 3.07Å
28A93.8Very high89.3Confident53 Ų5395 Ų9544%0.43857%0.566SS.*Hα-helixtrans-65.8-46.1176.700000111.6V24 L25 L26 L30 G31 T32V24-A28 PolarHBondContact O-N 2.92Å; L25-A28 PolarHBondContact O-N 3.23Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 2.9Å; A28-L30 PolarHBondContact O-N 2.94Å; A28-G31 PolarHBondContact O-N 3.43Å; A28-T32 PolarHBondContact O-N 2.92Å; A28-T32 PolarHBondContact O-OG1 3Å
29C89.4Confident88.9Confident61 Ų6194 Ų9441%0.41255%0.554SS.*Hα-helixtrans-62.6-41.8178.1-67.60000112.1L25 L26 T32 L33L25-C29 PolarHBondContact O-N 2.77Å; L25-C29 PolarHBondContact O-SG 2.89Å; L25-C29 VanDerWaalsContact O-SG 3.33Å; L26-C29 PolarHBondContact O-N 3.12Å; C29-T32 WeakPolarHBondContact CA-OG1 3.49Å; C29-T32 PolarHBondContact O-N 2.85Å; C29-T32 PolarHBondContact O-OG1 2.96Å; C29-L33 WeakPolarHBondContact O-CG 3.28Å; C29-L33 PolarHBondContact O-N 2.81Å
30L85.5Confident88.3Confident102 Ų10292.1 Ų92.153%0.53455%0.553SS.*Hα-helixtrans-62.9-42.5174.5-72.7172.2000111.8L26 A28 T32 L33 W34L26-L30 HydrophobicContact CD2-CD1 3.72Å; L26-L30 HydrophobicContact CG-CD1 4.25Å; L26-L30 WeakPolarHBondContact O-CG 3.28Å; L26-L30 PolarHBondContact O-N 3.26Å; A28-L30 PolarHBondContact O-N 2.94Å; L30-T32 VanDerWaalsContact C-N 3.34Å; L30-T32 PolarHBondContact O-N 3.42Å; L30-L33 PolarHBondContact O-N 2.98Å; L30-W34 WeakPolarHBondContact O-CB 3.33Å; L30-W34 PolarHBondContact O-N 3.42Å
31G87.2Confident87.5Confident47 Ų4792 Ų9249%0.48556%0.555SS.*Hα-helixtrans-60.9-40.3174.800000113.1T27 A28 W34 G35T27-G31 PolarHBondContact O-N 3.07Å; A28-G31 PolarHBondContact O-N 3.43Å; G31-W34 PolarHBondContact O-N 3.28Å; G31-G35 PolarHBondContact O-N 3.49Å
32T89.5Confident86.6Confident85 Ų8593.9 Ų93.952%0.52155%0.553SS.*Hα-helixtrans-66.3-43.3176.151.40000112.6A28 C29 L30 W34 G35 L36A28-T32 PolarHBondContact O-N 2.92Å; A28-T32 PolarHBondContact O-OG1 3Å; C29-T32 WeakPolarHBondContact CA-OG1 3.49Å; C29-T32 PolarHBondContact O-N 2.85Å; C29-T32 PolarHBondContact O-OG1 2.96Å; L30-T32 VanDerWaalsContact C-N 3.34Å; L30-T32 PolarHBondContact O-N 3.42Å; T32-W34 VanDerWaalsContact C-N 3.29Å; T32-W34 PolarHBondContact O-N 3.44Å; T32-G35 PolarHBondContact O-N 3.2Å; T32-L36 WeakPolarHBondContact O-CD1 3.38Å; T32-L36 PolarHBondContact O-N 3.39Å
33L84.7Confident85.9Confident63 Ų6393.6 Ų93.633%0.3354%0.543SS..Hα-helixtrans-63.1-38.1177.8-73.7170.3000111.5C29 L30 L36 I43C29-L33 WeakPolarHBondContact O-CG 3.28Å; C29-L33 PolarHBondContact O-N 2.81Å; L30-L33 PolarHBondContact O-N 2.98Å; L33-L36 PolarHBondContact O-N 3.05Å; L33-I43 HydrophobicContact CB-CD1 4.18Å; L33-I43 HydrophobicContact CD1-CG2 4.45Å
34W81.4Confident85.2Confident222 Ų22292.2 Ų92.284%0.84154%0.536SS*.Hα-helixtrans-63.6-43.5173.3-171.5-84.6000112.2L30 G31 T32 L36 G37L30-W34 WeakPolarHBondContact O-CB 3.33Å; L30-W34 PolarHBondContact O-N 3.42Å; G31-W34 PolarHBondContact O-N 3.28Å; T32-W34 VanDerWaalsContact C-N 3.29Å; T32-W34 PolarHBondContact O-N 3.44Å; W34-L36 VanDerWaalsContact C-N 3.3Å; W34-L36 PolarHBondContact O-N 2.78Å; W34-G37 PolarHBondContact O-N 2.8Å
35G85.5Confident84.3Confident68 Ų6888.9 Ų88.970%0.70151%0.512SS*.Hα-helixtrans-67.5-25.9178.900000114.7G31 T32 G37G31-G35 PolarHBondContact O-N 3.49Å; T32-G35 PolarHBondContact O-N 3.2Å; G35-G37 VanDerWaalsContact C-N 3.25Å; G35-G37 PolarHBondContact O-N 2.96Å
36L86.7Confident83.4Confident127 Ų12786.6 Ų86.667%0.66551%0.505SS*.THydrogen-bonded Turntrans-76.3-8.3176.9-80.6151.8000113.5T32 L33 W34 E38T32-L36 WeakPolarHBondContact O-CD1 3.38Å; T32-L36 PolarHBondContact O-N 3.39Å; L33-L36 PolarHBondContact O-N 3.05Å; W34-L36 VanDerWaalsContact C-N 3.3Å; W34-L36 PolarHBondContact O-N 2.78Å; L36-E38 VanDerWaalsContact C-N 3.25Å; L36-E38 HydrophobicContact CB-CG 4.3Å; L36-E38 PolarHBondContact O-N 3.05Å
37G80.9Confident82.9Confident69 Ų6986.2 Ų86.271%0.71150%0.503SS*.THydrogen-bonded Turntrans71.917.6177.400000114.4W34 G35W34-G37 PolarHBondContact O-N 2.8Å; G35-G37 VanDerWaalsContact C-N 3.25Å; G35-G37 PolarHBondContact O-N 2.96Å
38E76.4Confident82.4Confident105 Ų10583.2 Ų83.249%0.49149%0.485SS..  trans-65.2143.3177.9-75.3-66.5170.700111.8L36 I43L36-E38 VanDerWaalsContact C-N 3.25Å; L36-E38 HydrophobicContact CB-CG 4.3Å; L36-E38 PolarHBondContact O-N 3.05Å; E38-I43 HydrophobicContact CB-CD1 3.7Å; E38-I43 HydrophobicContact CB-CG1 4.16Å
39S81.8Confident81.7Confident62 Ų6283.5 Ų83.543%0.43448%0.476SS..  trans-67.4128.9-178.670.30000111E41 H42 I43S39-E41 PolarHBondContact O-N 3.11Å; S39-H42 PolarHBondContact O-N 3.15Å; S39-H42 VanDerWaalsContact O-N 3.13Å; S39-H42 WeakPolarHBondContact OG-CB 3.4Å; S39-I43 PolarHBondContact O-N 3.33Å
40P78.6Confident81.3Confident96 Ų9686.1 Ų86.162%0.62348%0.482SS*.Hα-helixtrans-62.8-30.6-176.323.6-33.3000112.3L44P40-L44 VanDerWaalsContact O-CB 3.28Å; P40-L44 WeakPolarHBondContact O-CB 3.44Å; P40-L44 PolarHBondContact O-N 3Å
41E78.2Confident81.2Confident149 Ų14984.7 Ų84.770%0.69648%0.475SS*.Hα-helixtrans-65.8-40.8176.8-62.3-175.2177.600112.3S39 R45S39-E41 PolarHBondContact O-N 3.11Å; E41-R45 VanDerWaalsContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CB 3.2Å; E41-R45 PolarHBondContact O-N 2.84Å
42H76.3Confident81Confident102 Ų10283.5 Ų83.547%0.47246%0.461SS..Hα-helixtrans-69.3-42.3177.9-168.973.9000111.6S39 R45 C46S39-H42 PolarHBondContact O-N 3.15Å; S39-H42 VanDerWaalsContact O-N 3.13Å; S39-H42 WeakPolarHBondContact OG-CB 3.4Å; H42-R45 PolarHBondContact O-N 3.26Å; H42-C46 PolarHBondContact O-N 2.91Å; H42-C46 PolarHBondContact O-SG 3.09Å
43I78.9Confident80.6Confident52 Ų5281.7 Ų81.727%0.26745%0.451SS..Hα-helixtrans-60.1-49.8175.1-64.9166.6000110.4L33 E38 S39 R45 C46 L47L33-I43 HydrophobicContact CB-CD1 4.18Å; L33-I43 HydrophobicContact CD1-CG2 4.45Å; E38-I43 HydrophobicContact CB-CD1 3.7Å; E38-I43 HydrophobicContact CB-CG1 4.16Å; S39-I43 PolarHBondContact O-N 3.33Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 3.27Å; I43-C46 PolarHBondContact O-N 2.86Å; I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 PolarHBondContact O-N 3.34Å
44L79.1Confident80.7Confident83 Ų8382.4 Ų82.444%0.43546%0.455SS..Hα-helixtrans-60.1-43.2-179.4-177.165000111P40 L47 V48P40-L44 VanDerWaalsContact O-CB 3.28Å; P40-L44 WeakPolarHBondContact O-CB 3.44Å; P40-L44 PolarHBondContact O-N 3Å; L44-L47 PolarHBondContact O-N 2.8Å; L44-V48 VanDerWaalsContact O-CG2 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.21Å
45R77.4Confident80.8Confident29 Ų2973.1 Ų73.111%0.10942%0.421CS..Hα-helixtrans-58.9-55.2176.7-180-178.4171.6152.113.7111.5E41 H42 I43 L47 V48 F49 L109 P110 N111 A112E41-R45 VanDerWaalsContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CB 3.2Å; E41-R45 PolarHBondContact O-N 2.84Å; H42-R45 PolarHBondContact O-N 3.26Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 3.27Å; R45-L47 VanDerWaalsContact C-N 3.25Å; R45-L47 PolarHBondContact O-N 3.07Å; R45-V48 PolarHBondContact O-N 3.33Å; R45-F49 HydrophobicContact CG-CD2 3.73Å; R45-F49 HydrophobicContact CG-CE2 3.57Å; R45-F49 WeakPolarHBondContact O-CD2 3.41Å; R45-F49 PolarHBondContact O-N 2.91Å; R45-L109 HydrophobicContact CB-CD1 4.22Å; R45-L109 HydrophobicContact CG-CD1 4.47Å; R45-P110 PolarHBondContact NH1-O 3.46Å; R45-N111 PolarHBondContact NH2-OD1 2.84Å; R45-A112 VanDerWaalsContact NH1-N 3.11Å
46C77.4Confident80.7Confident65 Ų6571.9 Ų71.944%0.43940%0.398SS..Hα-helixtrans-57.9-40.2179.9-72.80000111.8H42 I43 F49 H50H42-C46 PolarHBondContact O-N 2.91Å; H42-C46 PolarHBondContact O-SG 3.09Å; I43-C46 PolarHBondContact O-N 2.86Å; C46-F49 PolarHBondContact O-N 3.37Å; C46-H50 WeakPolarHBondContact O-CB 3.34Å; C46-H50 PolarHBondContact O-N 3.17Å
47L80.9Confident80.7Confident91 Ų9165.9 Ų65.948%0.47637%0.367SS..Hα-helixtrans-63-47176.1-173.569.3000111.9I43 L44 R45 F49 H50 L51I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 PolarHBondContact O-N 3.34Å; L44-L47 PolarHBondContact O-N 2.8Å; R45-L47 VanDerWaalsContact C-N 3.25Å; R45-L47 PolarHBondContact O-N 3.07Å; L47-F49 PolarHBondContact O-N 2.85Å; L47-H50 PolarHBondContact O-N 3Å; L47-L51 HydrophobicContact CD1-CD1 4.33Å; L47-L51 HydrophobicContact CD1-CG 4.42Å; L47-L51 HydrophobicContact CG-CD1 3.95Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.26Å; L47-L51 VanDerWaalsContact O-CG 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 2.89Å
48V81.6Confident80.9Confident17 Ų1766.7 Ų66.710%0.10335%0.352CS..Hα-helixtrans-58.8-46.7177.2167.80000110.8L44 R45 H50 L51 A52 F105L44-V48 VanDerWaalsContact O-CG2 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.21Å; R45-V48 PolarHBondContact O-N 3.33Å; V48-H50 PolarHBondContact O-N 3.29Å; V48-L51 PolarHBondContact O-N 3.05Å; V48-A52 VanDerWaalsContact O-CB 3.27Å; V48-A52 WeakPolarHBondContact O-CB 3.36Å; V48-A52 PolarHBondContact O-N 2.97Å; V48-F105 HydrophobicContact CG1-CB 3.65Å; V48-F105 HydrophobicContact CG2-CB 4.12Å; V48-F105 HydrophobicContact CG2-CD2 4.46Å; V48-F105 HydrophobicContact CG2-CG 4.29Å
49F77.5Confident81.4Confident58 Ų5864.4 Ų64.425%0.25434%0.343SS..Hα-helixtrans-60.9-44.3177.4-85.6-73.3000112.6R45 C46 L47 A52 S53 Y106 M120R45-F49 HydrophobicContact CG-CD2 3.73Å; R45-F49 HydrophobicContact CG-CE2 3.57Å; R45-F49 WeakPolarHBondContact O-CD2 3.41Å; R45-F49 PolarHBondContact O-N 2.91Å; C46-F49 PolarHBondContact O-N 3.37Å; L47-F49 PolarHBondContact O-N 2.85Å; F49-A52 PolarHBondContact O-N 3.29Å; F49-S53 WeakPolarHBondContact O-CB 3.26Å; F49-S53 PolarHBondContact O-N 3.18Å; F49-S53 PolarHBondContact O-OG 3.34Å; F49-S53 VanDerWaalsContact O-OG 3.09Å; F49-Y106 HydrophobicContact CD1-CD2 4.31Å; F49-Y106 AromaticContact CE1-CD2 3.23Å; F49-Y106 HydrophobicContact CE1-CD2 3.23Å; F49-Y106 AromaticContact CE1-CE2 3.29Å; F49-Y106 HydrophobicContact CE1-CE2 3.29Å; F49-Y106 HydrophobicContact CE2-CD2 4.3Å; F49-Y106 AromaticContact CZ-CD2 3.22Å; F49-Y106 HydrophobicContact CZ-CD2 3.22Å; F49-Y106 AromaticContact CZ-CE2 3.32Å; F49-Y106 HydrophobicContact CZ-CE2 3.32Å; F49-M120 HydrophobicContact CE1-CE 4.47Å
50H82.6Confident81.7Confident117 Ų11764.2 Ų64.254%0.54234%0.337SS..Hα-helixtrans-64.6-45.7178.8-175.666.1000111.3C46 L47 V48 A52 S53 L54C46-H50 WeakPolarHBondContact O-CB 3.34Å; C46-H50 PolarHBondContact O-N 3.17Å; L47-H50 PolarHBondContact O-N 3Å; V48-H50 PolarHBondContact O-N 3.29Å; H50-A52 PolarHBondContact O-N 3.46Å; H50-S53 PolarHBondContact O-N 3.31Å; H50-S53 PolarHBondContact O-OG 3.48Å; H50-L54 WeakPolarHBondContact O-CB 3.46Å; H50-L54 PolarHBondContact O-N 3.25Å
51L83.4Confident82.1Confident71 Ų7161.9 Ų61.937%0.37232%0.319SS..Hα-helixtrans-63.3-42.2176.5-69.1174.5000111.9L47 V48 S53 L54 Q55L47-L51 HydrophobicContact CD1-CD1 4.33Å; L47-L51 HydrophobicContact CD1-CG 4.42Å; L47-L51 HydrophobicContact CG-CD1 3.95Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.26Å; L47-L51 VanDerWaalsContact O-CG 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 2.89Å; V48-L51 PolarHBondContact O-N 3.05Å; L51-S53 PolarHBondContact O-N 3.05Å; L51-L54 PolarHBondContact O-N 3.29Å; L51-Q55 WeakPolarHBondContact O-CG 3.5Å; L51-Q55 PolarHBondContact O-N 3.29Å
52A81.5Confident82.6Confident23 Ų2355.1 Ų55.119%0.1929%0.289CS..Hα-helixtrans-59.2-47.8176.900000111.8V48 F49 H50 Q55 L56V48-A52 VanDerWaalsContact O-CB 3.27Å; V48-A52 WeakPolarHBondContact O-CB 3.36Å; V48-A52 PolarHBondContact O-N 2.97Å; F49-A52 PolarHBondContact O-N 3.29Å; H50-A52 PolarHBondContact O-N 3.46Å; A52-Q55 PolarHBondContact O-N 3.21Å; A52-L56 WeakPolarHBondContact O-CB 3.42Å; A52-L56 PolarHBondContact O-N 2.98Å
53S82.6Confident83.3Confident46 Ų4653.7 Ų53.732%0.32229%0.288SS..Hα-helixtrans-66.6-36.8178.960.90000112.2F49 H50 L51 G57F49-S53 WeakPolarHBondContact O-CB 3.26Å; F49-S53 PolarHBondContact O-N 3.18Å; F49-S53 PolarHBondContact O-OG 3.34Å; F49-S53 VanDerWaalsContact O-OG 3.09Å; H50-S53 PolarHBondContact O-N 3.31Å; H50-S53 PolarHBondContact O-OG 3.48Å; L51-S53 PolarHBondContact O-N 3.05Å; S53-G57 PolarHBondContact O-N 3.04Å
54L85.3Confident83.8Confident78 Ų7854.5 Ų54.541%0.40830%0.297SS..Hα-helixtrans-62.6-47.3173.3-17666.5000111.8H50 L51 G57 Q58H50-L54 WeakPolarHBondContact O-CB 3.46Å; H50-L54 PolarHBondContact O-N 3.25Å; L51-L54 PolarHBondContact O-N 3.29Å; L54-G57 PolarHBondContact O-N 2.99Å; L54-Q58 WeakPolarHBondContact O-CG 3.36Å; L54-Q58 PolarHBondContact O-N 2.73Å
55Q85Confident84.3Confident27 Ų2753 Ų5313%0.12629%0.294CS..Hα-helixtrans-63.8-44.5178.3-70.4-52.9-59.500112.4L51 A52 G57 Q58 L59 L98L51-Q55 WeakPolarHBondContact O-CG 3.5Å; L51-Q55 PolarHBondContact O-N 3.29Å; A52-Q55 PolarHBondContact O-N 3.21Å; Q55-G57 VanDerWaalsContact C-N 3.27Å; Q55-G57 PolarHBondContact O-N 2.9Å; Q55-Q58 VanDerWaalsContact NE2-OE1 3.14Å; Q55-Q58 PolarHBondContact O-N 3.45Å; Q55-L59 PolarHBondContact O-N 3.36Å; Q55-L98 HydrophobicContact CG-CB 4.3Å; Q55-L98 HydrophobicContact CG-CD2 3.39Å; Q55-L98 HydrophobicContact CG-CG 4.38Å
56L83.3Confident85Confident43 Ų4353 Ų5323%0.22530%0.296CS..Hα-helixtrans-64.4-36.2177-176.159.1000111A52 L59 L60 L99 L121 L124A52-L56 WeakPolarHBondContact O-CB 3.42Å; A52-L56 PolarHBondContact O-N 2.98Å; L56-L59 PolarHBondContact O-N 3.38Å; L56-L60 WeakPolarHBondContact O-CB 3.48Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 2.92Å; L56-L99 HydrophobicContact CB-CD1 4.35Å; L56-L99 HydrophobicContact CD1-CD1 4.26Å; L56-L121 HydrophobicContact CD2-CD2 3.42Å; L56-L121 VanDerWaalsContact CD2-CD2 3.42Å; L56-L124 HydrophobicContact CB-CD2 3.79Å; L56-L124 HydrophobicContact CD2-CD2 3.54Å; L56-L124 HydrophobicContact CG-CD2 3.65Å
57G86.2Confident85.7Confident1 Ų152.9 Ų52.91%0.0130%0.299CS..Hα-helixtrans-64.4-40.2172.100000113.7S53 L54 Q55 N61S53-G57 PolarHBondContact O-N 3.04Å; L54-G57 PolarHBondContact O-N 2.99Å; Q55-G57 VanDerWaalsContact C-N 3.27Å; Q55-G57 PolarHBondContact O-N 2.9Å; G57-N61 WeakPolarHBondContact O-CB 3.5Å; G57-N61 PolarHBondContact O-N 2.93Å
58Q85.7Confident86.2Confident86 Ų8653.8 Ų53.840%0.40230%0.301SS..Hα-helixtrans-64.2-41.3173.3-73.9175.9-18.300111.7L54 Q55 N61 G62L54-Q58 WeakPolarHBondContact O-CG 3.36Å; L54-Q58 PolarHBondContact O-N 2.73Å; Q55-Q58 VanDerWaalsContact NE2-OE1 3.14Å; Q55-Q58 PolarHBondContact O-N 3.45Å; Q58-N61 WeakPolarHBondContact O-CB 3.47Å; Q58-N61 PolarHBondContact O-N 3.35Å; Q58-G62 PolarHBondContact O-N 3.13Å
59L87.1Confident86.8Confident56 Ų5654.7 Ų54.729%0.29330%0.304SS..Hα-helixtrans-65.4-45.1177.1-170143.6000111.7Q55 L56 N61 G62 V63Q55-L59 PolarHBondContact O-N 3.36Å; L56-L59 PolarHBondContact O-N 3.38Å; L59-N61 VanDerWaalsContact C-N 3.29Å; L59-N61 PolarHBondContact O-N 3.43Å; L59-G62 PolarHBondContact O-N 2.88Å; L59-G62 VanDerWaalsContact O-N 3.17Å; L59-V63 HydrophobicContact CD2-CG2 4.19Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.06Å
60L86.8Confident87.5Confident59 Ų5955.9 Ų55.931%0.30931%0.312SS..Hα-helixtrans-57.8-43.1173.5-76.7167.3000111.4L56 G62 V63 C64 Q128L56-L60 WeakPolarHBondContact O-CB 3.48Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 2.92Å; L60-G62 PolarHBondContact O-N 3.24Å; L60-V63 PolarHBondContact O-N 3.18Å; L60-C64 PolarHBondContact O-N 3.05Å; L60-C64 PolarHBondContact O-SG 3.16Å; L60-C64 VanDerWaalsContact O-SG 3.32Å; L60-Q128 HydrophobicContact CD1-CG 4.29Å
61N87.7Confident87.9Confident47 Ų4758.5 Ų58.525%0.25132%0.318SS..Hα-helixtrans-60.7-45.7175.5-16263.8000111.9G57 Q58 L59 V63 C64 S65 K137G57-N61 WeakPolarHBondContact O-CB 3.5Å; G57-N61 PolarHBondContact O-N 2.93Å; Q58-N61 WeakPolarHBondContact O-CB 3.47Å; Q58-N61 PolarHBondContact O-N 3.35Å; L59-N61 VanDerWaalsContact C-N 3.29Å; L59-N61 PolarHBondContact O-N 3.43Å; N61-V63 VanDerWaalsContact C-N 3.29Å; N61-V63 PolarHBondContact O-N 3.17Å; N61-C64 PolarHBondContact O-N 3.35Å; N61-S65 PolarHBondContact O-N 2.98Å; N61-S65 PolarHBondContact O-OG 2.96Å; N61-K137 PolarHBondContact OD1-NZ 3.04Å
62G89Confident88.2Confident6 Ų658.4 Ų58.46%0.06232%0.315CS..Hα-helixtrans-61.2-37176.500000112.7Q58 L59 L60 S65 L66Q58-G62 PolarHBondContact O-N 3.13Å; L59-G62 PolarHBondContact O-N 2.88Å; L59-G62 VanDerWaalsContact O-N 3.17Å; L60-G62 PolarHBondContact O-N 3.24Å; G62-S65 PolarHBondContact O-N 3.03Å; G62-L66 VanDerWaalsContact O-CB 3.24Å; G62-L66 WeakPolarHBondContact O-CB 3.47Å; G62-L66 PolarHBondContact O-N 3.17Å
63V89.6Confident88.5Confident73 Ų7358.1 Ų58.144%0.44231%0.31SS..Hα-helixtrans-66.9-42.4173.9172.60000111.4L59 L60 N61 L66 A67L59-V63 HydrophobicContact CD2-CG2 4.19Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.06Å; L60-V63 PolarHBondContact O-N 3.18Å; N61-V63 VanDerWaalsContact C-N 3.29Å; N61-V63 PolarHBondContact O-N 3.17Å; V63-L66 WeakPolarHBondContact O-CB 3.49Å; V63-L66 PolarHBondContact O-N 3.15Å; V63-A67 PolarHBondContact O-N 2.94Å
64C89.6Confident88.6Confident68 Ų6862.8 Ų62.846%0.45933%0.327SS..Hα-helixtrans-62.2-44.3174.6-67.40000111.9L60 N61 L66 A67 I132L60-C64 PolarHBondContact O-N 3.05Å; L60-C64 PolarHBondContact O-SG 3.16Å; L60-C64 VanDerWaalsContact O-SG 3.32Å; N61-C64 PolarHBondContact O-N 3.35Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-L66 PolarHBondContact O-N 2.94Å; C64-A67 WeakPolarHBondContact O-CB 3.35Å; C64-A67 PolarHBondContact O-N 2.89Å; C64-I132 HydrophobicContact CB-CD1 3.87Å
65S89.4Confident88.4Confident53 Ų5362.6 Ų62.637%0.37133%0.332SS..Hα-helixtrans-64.5-37.7174.7-60.80000112.2N61 G62 A67 E68 E69N61-S65 PolarHBondContact O-N 2.98Å; N61-S65 PolarHBondContact O-OG 2.96Å; G62-S65 PolarHBondContact O-N 3.03Å; S65-A67 VanDerWaalsContact C-N 3.29Å; S65-A67 PolarHBondContact O-N 2.75Å; S65-E68 PolarHBondContact O-N 3.34Å; S65-E69 PolarHBondContact O-N 3.41Å
66L92.4Very high88.3Confident29 Ų2968 Ų6815%0.15235%0.351CS..Hα-helixtrans-60.8-39.6175.4-178.462.8000111G62 V63 C64 E68 E69 L70 T84 V85 C88 L89G62-L66 VanDerWaalsContact O-CB 3.24Å; G62-L66 WeakPolarHBondContact O-CB 3.47Å; G62-L66 PolarHBondContact O-N 3.17Å; V63-L66 WeakPolarHBondContact O-CB 3.49Å; V63-L66 PolarHBondContact O-N 3.15Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-L66 PolarHBondContact O-N 2.94Å; L66-E68 PolarHBondContact O-N 3.21Å; L66-E69 PolarHBondContact O-N 3.35Å; L66-E69 VanDerWaalsContact O-N 3.15Å; L66-L70 HydrophobicContact CD1-CD2 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CG-CD1 4.44Å; L66-L70 HydrophobicContact CG-CD2 4.47Å; L66-L70 HydrophobicContact CG-CG 4.16Å; L66-L70 WeakPolarHBondContact O-CG 3.48Å; L66-L70 PolarHBondContact O-N 3.15Å; L66-T84 HydrophobicContact CD1-CG2 3.67Å; L66-V85 HydrophobicContact CD1-CG2 4.26Å; L66-V85 HydrophobicContact CD2-CG2 4.07Å; L66-C88 HydrophobicContact CB-CB 4.17Å; L66-C88 HydrophobicContact CD1-CB 4.29Å; L66-L89 HydrophobicContact CD2-CD1 4.43Å
67A92.1Very high88.4Confident62 Ų6267.5 Ų67.551%0.51235%0.346SS..Hα-helixtrans-56.1-37.5178.200000112.7V63 C64 S65V63-A67 PolarHBondContact O-N 2.94Å; C64-A67 WeakPolarHBondContact O-CB 3.35Å; C64-A67 PolarHBondContact O-N 2.89Å; S65-A67 VanDerWaalsContact C-N 3.29Å; S65-A67 PolarHBondContact O-N 2.75Å
68E92.3Very high88.2Confident109 Ų10975.1 Ų75.151%0.50938%0.375SS..Hα-helixtrans-73.7-47.9173.9169.2153.3-131.400112.3S65 L66 L70 R71S65-E68 PolarHBondContact O-N 3.34Å; L66-E68 PolarHBondContact O-N 3.21Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 2.85Å; E68-R71 WeakPolarHBondContact O-CB 3.37Å; E68-R71 PolarHBondContact O-N 2.9Å; E68-R71 VanDerWaalsContact O-N 3.12Å; E68-R71 PolarHBondContact O-NE 3.48Å; E68-R71 IonicContact OE1-NH2 3.07Å; E68-R71 PolarHBondContact OE1-NH2 3.47Å
69E93.9Very high88.2Confident37 Ų3775.5 Ų75.517%0.17338%0.38CS..Hα-helixtrans-68-21.7-176.5-73.2-75.2171.700113.4S65 L66 R71 H72 R76 Y77 T84S65-E69 PolarHBondContact O-N 3.41Å; L66-E69 PolarHBondContact O-N 3.35Å; L66-E69 VanDerWaalsContact O-N 3.15Å; E69-R71 PolarHBondContact O-N 3.43Å; E69-H72 PolarHBondContact O-N 3.49Å; E69-R76 IonicContact OE1-NH1 3.37Å; E69-R76 PolarHBondContact OE1-NH1 2.87Å; E69-R76 WeakPolarHBondContact OE2-CD 3.4Å; E69-R76 IonicContact OE2-NH1 3.79Å; E69-Y77 HydrophobicContact CB-CE2 4.29Å; E69-Y77 WeakPolarHBondContact OE2-CE2 3.26Å; E69-Y77 VanDerWaalsContact OE2-CZ 3.29Å; E69-Y77 PolarHBondContact OE2-OH 3.37Å; E69-T84 HydrophobicContact CB-CG2 4.11Å
70L92.1Very high88.2Confident82 Ų8274.5 Ų74.543%0.42938%0.377SS..G310 helixtrans-58.9-25.9171.3-75.8173000112.3L66 E68 H72 I73L66-L70 HydrophobicContact CD1-CD2 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CG-CD1 4.44Å; L66-L70 HydrophobicContact CG-CD2 4.47Å; L66-L70 HydrophobicContact CG-CG 4.16Å; L66-L70 WeakPolarHBondContact O-CG 3.48Å; L66-L70 PolarHBondContact O-N 3.15Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 2.85Å; L70-H72 PolarHBondContact O-N 3.18Å; L70-I73 HydrophobicContact CB-CD1 4.38Å; L70-I73 HydrophobicContact CD2-CD1 3.72Å; L70-I73 HydrophobicContact CD2-CG1 4.5Å; L70-I73 VanDerWaalsContact O-CD1 3.27Å; L70-I73 WeakPolarHBondContact O-CD1 3.42Å; L70-I73 VanDerWaalsContact O-CG1 3.31Å; L70-I73 WeakPolarHBondContact O-CG1 3.32Å
71R90.4Very high88.3Confident173 Ų17379.4 Ų79.465%0.65339%0.393SS*.G310 helixtrans-73.4-15.9175-61.1-177.7-69.1-178.8-1.1113.1E68 E69E68-R71 WeakPolarHBondContact O-CB 3.37Å; E68-R71 PolarHBondContact O-N 2.9Å; E68-R71 VanDerWaalsContact O-N 3.12Å; E68-R71 PolarHBondContact O-NE 3.48Å; E68-R71 IonicContact OE1-NH2 3.07Å; E68-R71 PolarHBondContact OE1-NH2 3.47Å; E69-R71 PolarHBondContact O-N 3.43Å
72H89.5Confident88.3Confident68 Ų6883.6 Ų83.632%0.31541%0.405SS..G310 helixtrans-113.315.5-173.9-59.1-60.5000113.1E69 L70 H74 S75 R76E69-H72 PolarHBondContact O-N 3.49Å; L70-H72 PolarHBondContact O-N 3.18Å; H72-H74 VanDerWaalsContact C-N 3.33Å; H72-H74 PolarHBondContact O-N 2.91Å; H72-S75 PolarHBondContact O-N 2.65Å; H72-R76 HydrophobicContact CB-CB 4.2Å; H72-R76 VanDerWaalsContact O-CB 3.25Å; H72-R76 WeakPolarHBondContact O-CB 3.37Å; H72-R76 PolarHBondContact O-N 3.38Å
73I89.1Confident88.2Confident17 Ų1789.9 Ų89.99%0.08743%0.427CS..Hα-helixtrans-53.9-49.2179.3-69.1169.1000111.8L70 Y77 R78 D79 Y81 T84L70-I73 HydrophobicContact CB-CD1 4.38Å; L70-I73 HydrophobicContact CD2-CD1 3.72Å; L70-I73 HydrophobicContact CD2-CG1 4.5Å; L70-I73 VanDerWaalsContact O-CD1 3.27Å; L70-I73 WeakPolarHBondContact O-CD1 3.42Å; L70-I73 VanDerWaalsContact O-CG1 3.31Å; L70-I73 WeakPolarHBondContact O-CG1 3.32Å; I73-Y77 CarbonylContact O-C 3.38Å; I73-Y77 WeakPolarHBondContact O-CA 3.49Å; I73-Y77 PolarHBondContact O-N 3.42Å; I73-R78 PolarHBondContact O-N 3.3Å; I73-R78 VanDerWaalsContact O-N 3.12Å; I73-D79 PolarHBondContact O-N 2.98Å; I73-Y81 HydrophobicContact CD1-CD1 3.75Å; I73-Y81 HydrophobicContact CD1-CE1 3.44Å; I73-Y81 VanDerWaalsContact CD1-CE1 3.44Å; I73-T84 HydrophobicContact CG1-CG2 4.38Å
74H84.2Confident88.2Confident145 Ų14586.4 Ų86.467%0.67141%0.406SS*.Hα-helixtrans-68.6-48.1-176.4-168.963000111.8H72 D79H72-H74 VanDerWaalsContact C-N 3.33Å; H72-H74 PolarHBondContact O-N 2.91Å; H74-D79 WeakPolarHBondContact CA-OD1 3.46Å; H74-D79 IonicContact CE1-OD1 2.81Å; H74-D79 IonicContact CE1-OD2 3.07Å; H74-D79 PolarHBondContact CE1-OD2 2.91Å; H74-D79 IonicContact CG-OD1 3.54Å; H74-D79 VanDerWaalsContact ND1-CG 3.29Å; H74-D79 IonicContact ND1-OD1 2.85Å; H74-D79 PolarHBondContact ND1-OD1 3.03Å; H74-D79 IonicContact ND1-OD2 3.96Å; H74-D79 PolarHBondContact ND1-OD2 3.42Å
75S80.7Confident88.3Confident74 Ų7485.1 Ų85.152%0.51740%0.396SS..Hα-helixtrans-78.2-31.4-17459.10000114.6H72 K289H72-S75 PolarHBondContact O-N 2.65Å; S75-K289 PolarHBondContact O-NZ 2.92Å
76R83.4Confident88.3Confident139 Ų13989.6 Ų89.653%0.52541%0.405SS..Hα-helixtrans-107.9-39.9-173.8-171.9175.8-79-152.6-8.4113.6E69 H72E69-R76 IonicContact OE1-NH1 3.37Å; E69-R76 PolarHBondContact OE1-NH1 2.87Å; E69-R76 WeakPolarHBondContact OE2-CD 3.4Å; E69-R76 IonicContact OE2-NH1 3.79Å; H72-R76 HydrophobicContact CB-CB 4.2Å; H72-R76 VanDerWaalsContact O-CB 3.25Å; H72-R76 WeakPolarHBondContact O-CB 3.37Å; H72-R76 PolarHBondContact O-N 3.38Å
77Y85.5Confident88Confident33 Ų3391.1 Ų91.113%0.12942%0.422CS..Hα-helixtrans-109.96.2-170.2-57.3-75000115.4E69 I73 D79 S80 R83 T84 A87E69-Y77 HydrophobicContact CB-CE2 4.29Å; E69-Y77 WeakPolarHBondContact OE2-CE2 3.26Å; E69-Y77 VanDerWaalsContact OE2-CZ 3.29Å; E69-Y77 PolarHBondContact OE2-OH 3.37Å; I73-Y77 CarbonylContact O-C 3.38Å; I73-Y77 WeakPolarHBondContact O-CA 3.49Å; I73-Y77 PolarHBondContact O-N 3.42Å; Y77-D79 PolarHBondContact O-N 3.13Å; Y77-S80 PolarHBondContact O-N 2.98Å; Y77-R83 HydrophobicContact CD1-CB 4.45Å; Y77-T84 WeakPolarHBondContact CB-OG1 3.46Å; Y77-T84 HydrophobicContact CD2-CG2 3.83Å; Y77-T84 WeakPolarHBondContact CD2-OG1 3.37Å; Y77-T84 HydrophobicContact CE2-CG2 3.76Å; Y77-T84 HydrophobicContact CG-CG2 4.44Å; Y77-T84 VanDerWaalsContact CG-OG1 3.24Å; Y77-A87 HydrophobicContact CD1-CB 4.48Å; Y77-A87 HydrophobicContact CE1-CB 3.56Å
78R81.9Confident87.8Confident161 Ų16189.5 Ų89.561%0.60841%0.406SS*.THydrogen-bonded Turntrans55.550.1178-51.3-178.3-174.9178.71.7112I73 S80I73-R78 PolarHBondContact O-N 3.3Å; I73-R78 VanDerWaalsContact O-N 3.12Å; R78-S80 PolarHBondContact O-N 2.84Å
79D84.8Confident87.5Confident95 Ų9586 Ų8651%0.50839%0.391SS..THydrogen-bonded Turntrans61.416177.4-58.5-44.3000115.9I73 H74 Y77I73-D79 PolarHBondContact O-N 2.98Å; H74-D79 WeakPolarHBondContact CA-OD1 3.46Å; H74-D79 IonicContact CE1-OD1 2.81Å; H74-D79 IonicContact CE1-OD2 3.07Å; H74-D79 PolarHBondContact CE1-OD2 2.91Å; H74-D79 IonicContact CG-OD1 3.54Å; H74-D79 VanDerWaalsContact ND1-CG 3.29Å; H74-D79 IonicContact ND1-OD1 2.85Å; H74-D79 PolarHBondContact ND1-OD1 3.03Å; H74-D79 IonicContact ND1-OD2 3.96Å; H74-D79 PolarHBondContact ND1-OD2 3.42Å; Y77-D79 PolarHBondContact O-N 3.13Å
80S87.9Confident87.1Confident34 Ų3485.9 Ų85.924%0.23840%0.399CS..  trans-101.5101.1-179.1-172.30000112.5Y77 R78 W82 R83 T84Y77-S80 PolarHBondContact O-N 2.98Å; R78-S80 PolarHBondContact O-N 2.84Å; S80-W82 VanDerWaalsContact C-N 3.29Å; S80-W82 PolarHBondContact O-N 2.99Å; S80-R83 PolarHBondContact O-N 2.99Å; S80-R83 VanDerWaalsContact O-N 3.16Å; S80-R83 WeakPolarHBondContact OG-CG 3.46Å; S80-T84 PolarHBondContact O-N 3.16Å; S80-T84 PolarHBondContact O-OG1 3.16Å
81Y88.4Confident86.3Confident163 Ų16384.8 Ų84.864%0.63940%0.398SS*.Hα-helixtrans-56.2-40.5175.3-69.7-86.3000113.2I73 R83 T84 V85I73-Y81 HydrophobicContact CD1-CD1 3.75Å; I73-Y81 HydrophobicContact CD1-CE1 3.44Å; I73-Y81 VanDerWaalsContact CD1-CE1 3.44Å; Y81-R83 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 2.88Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 3.12Å; Y81-V85 WeakPolarHBondContact O-CG2 3.46Å; Y81-V85 PolarHBondContact O-N 3.1Å
82W87.9Confident85.6Confident135 Ų13578 Ų7851%0.51138%0.376SS..Hα-helixtrans-65.2-37.6179.6179.6-118.5000112.4S80 T84 V85 R86 P92 F93S80-W82 VanDerWaalsContact C-N 3.29Å; S80-W82 PolarHBondContact O-N 2.99Å; W82-T84 VanDerWaalsContact C-N 3.35Å; W82-V85 PolarHBondContact O-N 2.79Å; W82-R86 VanDerWaalsContact O-CB 3.25Å; W82-R86 WeakPolarHBondContact O-CB 3.49Å; W82-R86 PolarHBondContact O-N 2.84Å; W82-P92 HydrophobicContact CH2-CG 3.77Å; W82-P92 HydrophobicContact CZ2-CG 4.48Å; W82-P92 HydrophobicContact CZ3-CG 4.41Å; W82-F93 HydrophobicContact CH2-CE2 4.3Å; W82-F93 HydrophobicContact CH2-CZ 4.33Å; W82-F93 HydrophobicContact CZ2-CE2 4.2Å; W82-F93 HydrophobicContact CZ2-CZ 4.48Å
83R87.3Confident85Confident137 Ų13782 Ų8252%0.51739%0.393SS..Hα-helixtrans-65-40.4174.7-71.1-178.3-173.7154.1-0.3111.3Y77 S80 Y81 R86 A87Y77-R83 HydrophobicContact CD1-CB 4.45Å; S80-R83 PolarHBondContact O-N 2.99Å; S80-R83 VanDerWaalsContact O-N 3.16Å; S80-R83 WeakPolarHBondContact OG-CG 3.46Å; Y81-R83 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 2.88Å; R83-R86 PolarHBondContact O-N 3.34Å; R83-A87 WeakPolarHBondContact O-CB 3.32Å; R83-A87 PolarHBondContact O-N 3.35Å
84T90.4Very high84.5Confident0 Ų087.3 Ų87.30%042%0.417CS..Hα-helixtrans-61.2-50.8175.6-49.30000111.3L66 E69 I73 Y77 S80 Y81 W82 R86 A87 C88L66-T84 HydrophobicContact CD1-CG2 3.67Å; E69-T84 HydrophobicContact CB-CG2 4.11Å; I73-T84 HydrophobicContact CG1-CG2 4.38Å; Y77-T84 WeakPolarHBondContact CB-OG1 3.46Å; Y77-T84 HydrophobicContact CD2-CG2 3.83Å; Y77-T84 WeakPolarHBondContact CD2-OG1 3.37Å; Y77-T84 HydrophobicContact CE2-CG2 3.76Å; Y77-T84 HydrophobicContact CG-CG2 4.44Å; Y77-T84 VanDerWaalsContact CG-OG1 3.24Å; S80-T84 PolarHBondContact O-N 3.16Å; S80-T84 PolarHBondContact O-OG1 3.16Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 3.12Å; W82-T84 VanDerWaalsContact C-N 3.35Å; T84-R86 VanDerWaalsContact C-N 3.32Å; T84-R86 PolarHBondContact O-N 3.12Å; T84-A87 PolarHBondContact O-N 3.19Å; T84-A87 VanDerWaalsContact O-N 3.16Å; T84-C88 PolarHBondContact O-N 2.83Å; T84-C88 PolarHBondContact O-SG 2.9Å
85V89.8Confident84.3Confident41 Ų4182.8 Ų82.825%0.24840%0.396CS..Hα-helixtrans-59.6-43.9177.9173.50000111.2L66 Y81 W82 A87 C88 L89L66-V85 HydrophobicContact CD1-CG2 4.26Å; L66-V85 HydrophobicContact CD2-CG2 4.07Å; Y81-V85 WeakPolarHBondContact O-CG2 3.46Å; Y81-V85 PolarHBondContact O-N 3.1Å; W82-V85 PolarHBondContact O-N 2.79Å; V85-A87 VanDerWaalsContact C-N 3.35Å; V85-A87 PolarHBondContact O-N 3.43Å; V85-C88 PolarHBondContact O-N 3.16Å; V85-L89 HydrophobicContact CG1-CD1 4.33Å; V85-L89 WeakPolarHBondContact O-CB 3.39Å; V85-L89 PolarHBondContact O-N 3.09Å
86R89.7Confident84.3Confident148 Ų14880.7 Ų80.756%0.55839%0.386SS*.Hα-helixtrans-65.4-35.6177.6-171.3179.4-180174.7-0.2112.5W82 R83 T84 G90W82-R86 VanDerWaalsContact O-CB 3.25Å; W82-R86 WeakPolarHBondContact O-CB 3.49Å; W82-R86 PolarHBondContact O-N 2.84Å; R83-R86 PolarHBondContact O-N 3.34Å; T84-R86 VanDerWaalsContact C-N 3.32Å; T84-R86 PolarHBondContact O-N 3.12Å; R86-G90 WeakPolarHBondContact CG-O 3.3Å; R86-G90 CarbonylContact O-C 3.44Å; R86-G90 WeakPolarHBondContact O-CA 3.44Å; R86-G90 PolarHBondContact O-N 2.93Å
87A87.5Confident84.3Confident61 Ų6178.1 Ų78.150%0.50439%0.386SS..Hα-helixtrans-68.3-41.2176.200000111.7Y77 R83 T84 V85Y77-A87 HydrophobicContact CD1-CB 4.48Å; Y77-A87 HydrophobicContact CE1-CB 3.56Å; R83-A87 WeakPolarHBondContact O-CB 3.32Å; R83-A87 PolarHBondContact O-N 3.35Å; T84-A87 PolarHBondContact O-N 3.19Å; T84-A87 VanDerWaalsContact O-N 3.16Å; V85-A87 VanDerWaalsContact C-N 3.35Å; V85-A87 PolarHBondContact O-N 3.43Å
88C87.8Confident84Confident28 Ų2879.9 Ų79.919%0.18940%0.397CS..Hα-helixtrans-78.1-38.2-178-600000113.8L66 T84 V85L66-C88 HydrophobicContact CB-CB 4.17Å; L66-C88 HydrophobicContact CD1-CB 4.29Å; T84-C88 PolarHBondContact O-N 2.83Å; T84-C88 PolarHBondContact O-SG 2.9Å; V85-C88 PolarHBondContact O-N 3.16Å
89L85.3Confident84Confident35 Ų3575.4 Ų75.418%0.18339%0.385CS..Hα-helixtrans-102.2-1.2-176.2-74.875.1000113.1L66 V85 C91 H95L66-L89 HydrophobicContact CD2-CD1 4.43Å; V85-L89 HydrophobicContact CG1-CD1 4.33Å; V85-L89 WeakPolarHBondContact O-CB 3.39Å; V85-L89 PolarHBondContact O-N 3.09Å; L89-C91 PolarHBondContact O-N 3.4Å; L89-H95 PolarHBondContact O-CE1 3.44Å; L89-H95 VanDerWaalsContact O-CE1 3.27Å; L89-H95 PolarHBondContact O-ND1 2.89Å
90G84.8Confident84Confident34 Ų3477.2 Ų77.235%0.35139%0.394SS..SBendtrans65-118.1-174.500000111.8R86 P92R86-G90 WeakPolarHBondContact CG-O 3.3Å; R86-G90 CarbonylContact O-C 3.44Å; R86-G90 WeakPolarHBondContact O-CA 3.44Å; R86-G90 PolarHBondContact O-N 2.93Å; G90-P92 WeakPolarHBondContact O-CD 3.31Å
91C76.6Confident83.7Confident60 Ų6080.1 Ų80.141%0.40541%0.406SS..SBendtrans-95.297.8172.4-72.40000109.7L89 F93 H94 H95L89-C91 PolarHBondContact O-N 3.4Å; C91-F93 PolarHBondContact O-N 2.92Å; C91-H94 HydrophobicContact CB-CB 4.43Å; C91-H94 PolarHBondContact O-N 2.89Å; C91-H94 VanDerWaalsContact O-N 3.16Å; C91-H95 PolarHBondContact O-ND1 2.89Å; C91-H95 VanDerWaalsContact O-ND1 3.1Å
92P74.6Confident83.2Confident31 Ų3173 Ų7320%0.20138%0.381CS..Hα-helixtrans-63.3-28.7-175.825.4-34.9000112.1W82 G90 H94 H95 G96W82-P92 HydrophobicContact CH2-CG 3.77Å; W82-P92 HydrophobicContact CZ2-CG 4.48Å; W82-P92 HydrophobicContact CZ3-CG 4.41Å; G90-P92 WeakPolarHBondContact O-CD 3.31Å; P92-H94 PolarHBondContact O-N 3.3Å; P92-H95 PolarHBondContact O-N 3.09Å; P92-G96 PolarHBondContact O-N 3.43Å
93F78.4Confident82.6Confident150 Ų15068.5 Ų68.566%0.65838%0.376SS*.Hα-helixtrans-61.3-40.6176.5-60.9-70.2000112.7W82 C91 G96 T97W82-F93 HydrophobicContact CH2-CE2 4.3Å; W82-F93 HydrophobicContact CH2-CZ 4.33Å; W82-F93 HydrophobicContact CZ2-CE2 4.2Å; W82-F93 HydrophobicContact CZ2-CZ 4.48Å; C91-F93 PolarHBondContact O-N 2.92Å; F93-G96 PolarHBondContact O-N 3.02Å; F93-T97 WeakPolarHBondContact O-CG2 3.44Å; F93-T97 PolarHBondContact O-N 3.12Å; F93-T97 PolarHBondContact O-OG1 2.81Å; F93-T97 VanDerWaalsContact O-OG1 3.12Å
94H78.6Confident82.3Confident129 Ų12969.1 Ų69.160%0.59738%0.379SS*.Hα-helixtrans-63.9-48.5178.2-78.9-60.9000111.3C91 P92 G96 T97 L98C91-H94 HydrophobicContact CB-CB 4.43Å; C91-H94 PolarHBondContact O-N 2.89Å; C91-H94 VanDerWaalsContact O-N 3.16Å; P92-H94 PolarHBondContact O-N 3.3Å; H94-G96 VanDerWaalsContact C-N 3.33Å; H94-G96 PolarHBondContact O-N 3.5Å; H94-T97 PolarHBondContact O-N 3.49Å; H94-T97 PolarHBondContact O-OG1 2.82Å; H94-L98 PolarHBondContact O-N 3.28Å
95H78.2Confident81.4Confident51 Ų5172.6 Ų72.624%0.23639%0.394CS..Hα-helixtrans-60.6-42.9176.1-62.589.9000111.6L89 C91 P92 L98 L99L89-H95 PolarHBondContact O-CE1 3.44Å; L89-H95 VanDerWaalsContact O-CE1 3.27Å; L89-H95 PolarHBondContact O-ND1 2.89Å; C91-H95 PolarHBondContact O-ND1 2.89Å; C91-H95 VanDerWaalsContact O-ND1 3.1Å; P92-H95 PolarHBondContact O-N 3.09Å; H95-L98 PolarHBondContact O-N 2.79Å; H95-L99 WeakPolarHBondContact O-CB 3.5Å; H95-L99 PolarHBondContact O-N 3.27Å
96G81.3Confident80.5Confident29 Ų2973.9 Ų73.930%0.29940%0.395SS..Hα-helixtrans-61.4-45.5176.400000112.9P92 F93 H94 L98 L99 L100P92-G96 PolarHBondContact O-N 3.43Å; F93-G96 PolarHBondContact O-N 3.02Å; H94-G96 VanDerWaalsContact C-N 3.33Å; H94-G96 PolarHBondContact O-N 3.5Å; G96-L98 PolarHBondContact O-N 3.34Å; G96-L99 PolarHBondContact O-N 2.87Å; G96-L100 WeakPolarHBondContact O-CG 3.28Å; G96-L100 PolarHBondContact O-N 3.08Å
97T83Confident79.7Confident85 Ų8576.7 Ų76.752%0.52141%0.407SS..Hα-helixtrans-63.7-39.9176.7540000112.5F93 H94 L100 L101F93-T97 WeakPolarHBondContact O-CG2 3.44Å; F93-T97 PolarHBondContact O-N 3.12Å; F93-T97 PolarHBondContact O-OG1 2.81Å; F93-T97 VanDerWaalsContact O-OG1 3.12Å; H94-T97 PolarHBondContact O-N 3.49Å; H94-T97 PolarHBondContact O-OG1 2.82Å; T97-L100 PolarHBondContact O-N 3.27Å; T97-L101 VanDerWaalsContact O-CB 3.31Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 PolarHBondContact O-N 2.88Å
98L80.9Confident78.9Confident70 Ų7076.6 Ų76.637%0.36640%0.403SS..Hα-helixtrans-70.9-35.5179.2-133.3131.9000111.5Q55 H94 H95 G96 S102Q55-L98 HydrophobicContact CG-CB 4.3Å; Q55-L98 HydrophobicContact CG-CD2 3.39Å; Q55-L98 HydrophobicContact CG-CG 4.38Å; H94-L98 PolarHBondContact O-N 3.28Å; H95-L98 PolarHBondContact O-N 2.79Å; G96-L98 PolarHBondContact O-N 3.34Å; L98-S102 WeakPolarHBondContact O-CB 3.18Å; L98-S102 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-OG 2.83Å
99L81.4Confident77.9Confident67 Ų6777.1 Ų77.135%0.35140%0.404SS..Hα-helixtrans-64.7-45.3172.3-161.894.2000111.6L56 H95 G96 S102 G103L56-L99 HydrophobicContact CB-CD1 4.35Å; L56-L99 HydrophobicContact CD1-CD1 4.26Å; H95-L99 WeakPolarHBondContact O-CB 3.5Å; H95-L99 PolarHBondContact O-N 3.27Å; G96-L99 PolarHBondContact O-N 2.87Å; L99-S102 WeakPolarHBondContact CA-OG 3.34Å; L99-S102 PolarHBondContact O-N 3.35Å; L99-S102 PolarHBondContact O-OG 2.7Å; L99-G103 PolarHBondContact O-N 3.01Å
100L84.9Confident76.7Confident133 Ų13380.7 Ų80.770%0.69643%0.429SS*.Hα-helixtrans-62.6-43.6176.1-72.9170.8000111.9G96 T97 G103 Y104G96-L100 WeakPolarHBondContact O-CG 3.28Å; G96-L100 PolarHBondContact O-N 3.08Å; T97-L100 PolarHBondContact O-N 3.27Å; L100-G103 PolarHBondContact O-N 3.26Å; L100-Y104 WeakPolarHBondContact O-CB 3.25Å; L100-Y104 PolarHBondContact O-N 3.37Å
101L81.7Confident75.4Confident95 Ų9583 Ų8350%0.49743%0.434SS..Hα-helixtrans-61.9-45.2177.7-171.570000111.3T97 Y104 F105T97-L101 VanDerWaalsContact O-CB 3.31Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 PolarHBondContact O-N 2.88Å; L101-Y104 WeakPolarHBondContact O-CB 3.31Å; L101-Y104 PolarHBondContact O-N 3.41Å; L101-F105 HydrophobicContact CD1-CD2 4.18Å; L101-F105 HydrophobicContact CD1-CE2 3.6Å; L101-F105 HydrophobicContact CD1-CZ 4.46Å; L101-F105 HydrophobicContact CD2-CE2 4.18Å; L101-F105 HydrophobicContact CG-CD2 3.9Å; L101-F105 HydrophobicContact CG-CE2 3.61Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 2.94Å
102S77.1Confident74.5Confident15 Ų1584.3 Ų84.311%0.10545%0.448CS..Hα-helixtrans-65.4-37176.356.90000113.2L98 L99 Y106L98-S102 WeakPolarHBondContact O-CB 3.18Å; L98-S102 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-OG 2.83Å; L99-S102 WeakPolarHBondContact CA-OG 3.34Å; L99-S102 PolarHBondContact O-N 3.35Å; L99-S102 PolarHBondContact O-OG 2.7Å; S102-Y106 WeakPolarHBondContact O-CB 3.42Å; S102-Y106 PolarHBondContact O-N 3.41Å
103G76.3Confident73.7Confident39 Ų3987.1 Ų87.140%0.40247%0.465SS..Hα-helixtrans-64.7-39.9172.200000113.1L99 L100 Y106 Y107L99-G103 PolarHBondContact O-N 3.01Å; L100-G103 PolarHBondContact O-N 3.26Å; G103-Y106 WeakPolarHBondContact O-CB 3.26Å; G103-Y106 PolarHBondContact O-N 2.85Å; G103-Y107 PolarHBondContact O-N 2.81Å; G103-Y107 VanDerWaalsContact O-N 3.07Å
104Y80.2Confident72.8Confident151 Ų15183.9 Ų83.959%0.59247%0.473SS*.Hα-helixtrans-62.1-47.4175173.1-99.1000112L100 L101 Y106 Y107 S108L100-Y104 WeakPolarHBondContact O-CB 3.25Å; L100-Y104 PolarHBondContact O-N 3.37Å; L101-Y104 WeakPolarHBondContact O-CB 3.31Å; L101-Y104 PolarHBondContact O-N 3.41Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-Y106 PolarHBondContact O-N 3.29Å; Y104-Y107 PolarHBondContact O-N 3.08Å; Y104-S108 WeakPolarHBondContact O-CB 3.43Å; Y104-S108 PolarHBondContact O-N 3.06Å; Y104-S108 PolarHBondContact O-OG 3.49Å
105F71.9Confident72.1Confident72 Ų7281.6 Ų81.632%0.31647%0.465SS..Hα-helixtrans-67.1-34.4176.7-77.2-65.4000112.5V48 L101 S108 L109V48-F105 HydrophobicContact CG1-CB 3.65Å; V48-F105 HydrophobicContact CG2-CB 4.12Å; V48-F105 HydrophobicContact CG2-CD2 4.46Å; V48-F105 HydrophobicContact CG2-CG 4.29Å; L101-F105 HydrophobicContact CD1-CD2 4.18Å; L101-F105 HydrophobicContact CD1-CE2 3.6Å; L101-F105 HydrophobicContact CD1-CZ 4.46Å; L101-F105 HydrophobicContact CD2-CE2 4.18Å; L101-F105 HydrophobicContact CG-CD2 3.9Å; L101-F105 HydrophobicContact CG-CE2 3.61Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 2.94Å; F105-S108 PolarHBondContact O-N 3.23Å; F105-L109 HydrophobicContact CB-CD1 4.49Å; F105-L109 WeakPolarHBondContact O-CB 3.36Å; F105-L109 WeakPolarHBondContact O-CD1 3.36Å; F105-L109 WeakPolarHBondContact O-CG 3.27Å; F105-L109 PolarHBondContact O-N 3.49Å; F105-L109 VanDerWaalsContact O-N 3.08Å
106Y71.2Confident71.9Confident68 Ų6882.7 Ų82.727%0.26748%0.477SS..Hα-helixtrans-60.1-44.4173.4176.5-100.9000112.4F49 S102 G103 Y104F49-Y106 HydrophobicContact CD1-CD2 4.31Å; F49-Y106 AromaticContact CE1-CD2 3.23Å; F49-Y106 HydrophobicContact CE1-CD2 3.23Å; F49-Y106 AromaticContact CE1-CE2 3.29Å; F49-Y106 HydrophobicContact CE1-CE2 3.29Å; F49-Y106 HydrophobicContact CE2-CD2 4.3Å; F49-Y106 AromaticContact CZ-CD2 3.22Å; F49-Y106 HydrophobicContact CZ-CD2 3.22Å; F49-Y106 AromaticContact CZ-CE2 3.32Å; F49-Y106 HydrophobicContact CZ-CE2 3.32Å; S102-Y106 WeakPolarHBondContact O-CB 3.42Å; S102-Y106 PolarHBondContact O-N 3.41Å; G103-Y106 WeakPolarHBondContact O-CB 3.26Å; G103-Y106 PolarHBondContact O-N 2.85Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-Y106 PolarHBondContact O-N 3.29Å
107Y71.3Confident71.4Confident207 Ų20786.4 Ų86.481%0.81249%0.485SS*.Hα-helixtrans-72-36.3178.9-176.1-98.1000112.6G103 Y104G103-Y107 PolarHBondContact O-N 2.81Å; G103-Y107 VanDerWaalsContact O-N 3.07Å; Y104-Y107 PolarHBondContact O-N 3.08Å
108S71.8Confident71.2Confident60 Ų6087.1 Ų87.142%0.4249%0.489SS..Hα-helixtrans-77.5-21.7-176.1-550000113.6Y104 F105Y104-S108 WeakPolarHBondContact O-CB 3.43Å; Y104-S108 PolarHBondContact O-N 3.06Å; Y104-S108 PolarHBondContact O-OG 3.49Å; F105-S108 PolarHBondContact O-N 3.23Å
109L65.6Low71.1Confident38 Ų3891.3 Ų91.320%0.19950%0.5CS..SBendtrans-97.5119.2178.3-73.2160.1000110.2R45 F105 N111R45-L109 HydrophobicContact CB-CD1 4.22Å; R45-L109 HydrophobicContact CG-CD1 4.47Å; F105-L109 HydrophobicContact CB-CD1 4.49Å; F105-L109 WeakPolarHBondContact O-CB 3.36Å; F105-L109 WeakPolarHBondContact O-CD1 3.36Å; F105-L109 WeakPolarHBondContact O-CG 3.27Å; F105-L109 PolarHBondContact O-N 3.49Å; F105-L109 VanDerWaalsContact O-N 3.08Å; L109-N111 PolarHBondContact O-N 3.39Å
110P61.3Low70.9Confident110 Ų11091.2 Ų91.271%0.71450%0.499SS*.  trans-59.5130.7-173.620.7-31.1000112R45 A112R45-P110 PolarHBondContact NH1-O 3.46Å; P110-A112 PolarHBondContact O-N 2.93Å; P110-A112 VanDerWaalsContact O-N 3.17Å
111N57.3Low70.7Confident84 Ų8488 Ų8845%0.44948%0.482SS..  trans-78.1102.4-171.6-16516.4000112.1R45 L109 V113R45-N111 PolarHBondContact NH2-OD1 2.84Å; L109-N111 PolarHBondContact O-N 3.39Å; N111-V113 PolarHBondContact OD1-O 3.06Å
112A57.2Low70.9Confident86 Ų8686.1 Ų86.171%0.71148%0.48SS*.  trans-89.8-14.9-179.300000114.2R45 P110R45-A112 VanDerWaalsContact NH1-N 3.11Å; P110-A112 PolarHBondContact O-N 2.93Å; P110-A112 VanDerWaalsContact O-N 3.17Å
113V58Low71.4Confident91 Ų9189.6 Ų89.655%0.55250%0.497SS*.SBendtrans-108.3102-176.6-174.90000107.2N111 L115N111-V113 PolarHBondContact OD1-O 3.06Å; V113-L115 PolarHBondContact O-N 3.46Å
114G59.5Low71.8Confident81 Ų8188.8 Ų88.884%0.83548%0.483SS*.  trans-67.127.2-173.800000116.3
115L64.7Low72.2Confident82 Ų8283 Ų8343%0.42947%0.469SS..  trans-79.7129.6172.9-127.782.9000109.7V113 F117 M120V113-L115 PolarHBondContact O-N 3.46Å; L115-F117 PolarHBondContact O-N 2.96Å; L115-M120 HydrophobicContact CD2-CG 4.4Å
116P73.3Confident73Confident73 Ų7384.7 Ų84.747%0.47448%0.481SS..  trans-66.9135.5179.422.7-27.5000110.6T118 W119P116-T118 PolarHBondContact O-N 3.27Å; P116-T118 VanDerWaalsContact O-N 3.1Å; P116-W119 HydrophobicContact CG-CB 4.23Å; P116-W119 WeakPolarHBondContact O-CB 3.42Å; P116-W119 PolarHBondContact O-N 3.28Å
117F71.5Confident73.9Confident108 Ų10883.6 Ų83.647%0.47448%0.483SS..Hα-helixtrans-52.4-34179.8178.8-107.4000113.2L115 W119 M120 L121L115-F117 PolarHBondContact O-N 2.96Å; F117-W119 VanDerWaalsContact C-N 3.32Å; F117-W119 PolarHBondContact O-N 3.34Å; F117-M120 HydrophobicContact CB-CE 4.49Å; F117-M120 HydrophobicContact CD2-CE 4.16Å; F117-M120 PolarHBondContact O-N 2.9Å; F117-L121 HydrophobicContact CD1-CD1 3.83Å; F117-L121 HydrophobicContact CD1-CG 4.27Å; F117-L121 HydrophobicContact CE1-CD1 3.41Å; F117-L121 VanDerWaalsContact CE1-CD1 3.41Å; F117-L121 HydrophobicContact CE1-CD2 4.33Å; F117-L121 HydrophobicContact CE1-CG 3.93Å; F117-L121 HydrophobicContact CZ-CD1 4Å; F117-L121 HydrophobicContact CZ-CD2 4.06Å; F117-L121 HydrophobicContact CZ-CG 4.08Å; F117-L121 PolarHBondContact O-N 3.16Å
118T77.4Confident74.8Confident99 Ų9975 Ų7561%0.60745%0.45SS*.Hα-helixtrans-61.2-36.1176.9510000113.3P116 L121 A122P116-T118 PolarHBondContact O-N 3.27Å; P116-T118 VanDerWaalsContact O-N 3.1Å; T118-L121 PolarHBondContact O-N 3.31Å; T118-A122 WeakPolarHBondContact O-CB 3.28Å; T118-A122 PolarHBondContact O-N 3.08Å
119W79.8Confident75.6Confident159 Ų15974.9 Ų74.960%0.60245%0.453SS*.Hα-helixtrans-70.7-39.2177.2-121.271.2000111.7P116 F117 L121 A122 L123P116-W119 HydrophobicContact CG-CB 4.23Å; P116-W119 WeakPolarHBondContact O-CB 3.42Å; P116-W119 PolarHBondContact O-N 3.28Å; F117-W119 VanDerWaalsContact C-N 3.32Å; F117-W119 PolarHBondContact O-N 3.34Å; W119-L121 VanDerWaalsContact C-N 3.33Å; W119-L121 PolarHBondContact O-N 3.27Å; W119-A122 PolarHBondContact O-N 2.94Å; W119-L123 HydrophobicContact CE3-CD1 3.7Å; W119-L123 HydrophobicContact CE3-CG 4.14Å; W119-L123 HydrophobicContact CZ3-CD1 3.95Å; W119-L123 HydrophobicContact CZ3-CD2 4.43Å; W119-L123 HydrophobicContact CZ3-CG 4.4Å; W119-L123 WeakPolarHBondContact O-CB 3.42Å; W119-L123 WeakPolarHBondContact O-CG 3.33Å; W119-L123 PolarHBondContact O-N 3.39Å
120M76.9Confident76.9Confident65 Ų6577.6 Ų77.632%0.3247%0.467SS..Hα-helixtrans-62.9-41.3174.8-67.7-169.1-7500111.5F49 L115 F117 L124F49-M120 HydrophobicContact CE1-CE 4.47Å; L115-M120 HydrophobicContact CD2-CG 4.4Å; F117-M120 HydrophobicContact CB-CE 4.49Å; F117-M120 HydrophobicContact CD2-CE 4.16Å; F117-M120 PolarHBondContact O-N 2.9Å; M120-L124 VanDerWaalsContact O-CB 3.3Å; M120-L124 WeakPolarHBondContact O-CB 3.39Å; M120-L124 PolarHBondContact O-N 3.47Å
121L80.4Confident78.2Confident66 Ų6674.7 Ų74.735%0.34645%0.446SS..Hα-helixtrans-63.2-43.4174.1-71179.1000112.4L56 F117 T118 W119 L124 G125L56-L121 HydrophobicContact CD2-CD2 3.42Å; L56-L121 VanDerWaalsContact CD2-CD2 3.42Å; F117-L121 HydrophobicContact CD1-CD1 3.83Å; F117-L121 HydrophobicContact CD1-CG 4.27Å; F117-L121 HydrophobicContact CE1-CD1 3.41Å; F117-L121 VanDerWaalsContact CE1-CD1 3.41Å; F117-L121 HydrophobicContact CE1-CD2 4.33Å; F117-L121 HydrophobicContact CE1-CG 3.93Å; F117-L121 HydrophobicContact CZ-CD1 4Å; F117-L121 HydrophobicContact CZ-CD2 4.06Å; F117-L121 HydrophobicContact CZ-CG 4.08Å; F117-L121 PolarHBondContact O-N 3.16Å; T118-L121 PolarHBondContact O-N 3.31Å; W119-L121 VanDerWaalsContact C-N 3.33Å; W119-L121 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 2.97Å; L121-G125 PolarHBondContact O-N 3.32Å
122A86.5Confident79.7Confident54 Ų5474 Ų7445%0.44644%0.442SS..Hα-helixtrans-63-46.3178.300000111.8T118 W119 G125 L126T118-A122 WeakPolarHBondContact O-CB 3.28Å; T118-A122 PolarHBondContact O-N 3.08Å; W119-A122 PolarHBondContact O-N 2.94Å; A122-G125 PolarHBondContact O-N 3.24Å; A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 WeakPolarHBondContact O-CG 3.27Å; A122-L126 PolarHBondContact O-N 3.27Å
123L86.8Confident81.2Confident88 Ų8877 Ų7746%0.46145%0.445SS..Hα-helixtrans-63.4-40.6175.8-72.5175.1000112.1W119 L126 S127W119-L123 HydrophobicContact CE3-CD1 3.7Å; W119-L123 HydrophobicContact CE3-CG 4.14Å; W119-L123 HydrophobicContact CZ3-CD1 3.95Å; W119-L123 HydrophobicContact CZ3-CD2 4.43Å; W119-L123 HydrophobicContact CZ3-CG 4.4Å; W119-L123 WeakPolarHBondContact O-CB 3.42Å; W119-L123 WeakPolarHBondContact O-CG 3.33Å; W119-L123 PolarHBondContact O-N 3.39Å; L123-L126 PolarHBondContact O-N 3.46Å; L123-S127 WeakPolarHBondContact O-CB 3.34Å; L123-S127 PolarHBondContact O-N 2.83Å; L123-S127 PolarHBondContact O-OG 3.25Å
124L85.9Confident82.7Confident23 Ų2378.2 Ų78.212%0.1245%0.447CS..Hα-helixtrans-61.7-48.1174.9-17865.6000110.8L56 M120 L121 L126 S127 Q128L56-L124 HydrophobicContact CB-CD2 3.79Å; L56-L124 HydrophobicContact CD2-CD2 3.54Å; L56-L124 HydrophobicContact CG-CD2 3.65Å; M120-L124 VanDerWaalsContact O-CB 3.3Å; M120-L124 WeakPolarHBondContact O-CB 3.39Å; M120-L124 PolarHBondContact O-N 3.47Å; L121-L124 PolarHBondContact O-N 2.97Å; L124-L126 PolarHBondContact O-N 3.44Å; L124-S127 PolarHBondContact O-N 3.47Å; L124-S127 PolarHBondContact O-OG 3.37Å; L124-Q128 HydrophobicContact CD1-CG 4.4Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 3.39Å
125G87.1Confident84Confident29 Ų2976.7 Ų76.730%0.29943%0.432SS..Hα-helixtrans-56.8-48176.400000112.3L121 A122 S127 Q128 A129L121-G125 PolarHBondContact O-N 3.32Å; A122-G125 PolarHBondContact O-N 3.24Å; G125-S127 PolarHBondContact O-N 2.99Å; G125-Q128 PolarHBondContact O-N 3.05Å; G125-A129 WeakPolarHBondContact O-CB 3.39Å; G125-A129 PolarHBondContact O-N 3.1Å
126L90.5Very high85Confident108 Ų10878.2 Ų78.257%0.56544%0.44SS*.Hα-helixtrans-58.6-45.7175.1-75.6166.1000111.9A122 L123 L124 Q128 A129 L130A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 WeakPolarHBondContact O-CG 3.27Å; A122-L126 PolarHBondContact O-N 3.27Å; L123-L126 PolarHBondContact O-N 3.46Å; L124-L126 PolarHBondContact O-N 3.44Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; L126-Q128 PolarHBondContact O-N 3.11Å; L126-A129 PolarHBondContact O-N 2.79Å; L126-L130 WeakPolarHBondContact O-CB 3.36Å; L126-L130 WeakPolarHBondContact O-CG 3.33Å; L126-L130 PolarHBondContact O-N 3.39Å
127S90Very high85.4Confident45 Ų4578.6 Ų78.632%0.31543%0.434SS..Hα-helixtrans-62.5-40.117975.70000112.4L123 L124 G125 L130 N131L123-S127 WeakPolarHBondContact O-CB 3.34Å; L123-S127 PolarHBondContact O-N 2.83Å; L123-S127 PolarHBondContact O-OG 3.25Å; L124-S127 PolarHBondContact O-N 3.47Å; L124-S127 PolarHBondContact O-OG 3.37Å; G125-S127 PolarHBondContact O-N 2.99Å; S127-L130 PolarHBondContact O-N 2.83Å; S127-N131 WeakPolarHBondContact O-CB 3.25Å; S127-N131 VanDerWaalsContact O-CG 3.25Å; S127-N131 PolarHBondContact O-N 3.41Å; S127-N131 PolarHBondContact O-ND2 2.63Å
128Q89.6Confident86Confident26 Ų2676.1 Ų76.112%0.12144%0.439CS..Hα-helixtrans-70.7-40.9178.2-66-55.7-34.200111.7L60 L124 G125 L126 L130 N131 I132L60-Q128 HydrophobicContact CD1-CG 4.29Å; L124-Q128 HydrophobicContact CD1-CG 4.4Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 3.39Å; G125-Q128 PolarHBondContact O-N 3.05Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; L126-Q128 PolarHBondContact O-N 3.11Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.32Å; Q128-N131 PolarHBondContact O-N 3.47Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 PolarHBondContact O-N 3.03Å
129A89.3Confident86.6Confident57 Ų5776.1 Ų76.147%0.47144%0.435SS..Hα-helixtrans-59.7-45.1174.400000111.3G125 L126 I132 L133G125-A129 WeakPolarHBondContact O-CB 3.39Å; G125-A129 PolarHBondContact O-N 3.1Å; L126-A129 PolarHBondContact O-N 2.79Å; A129-I132 PolarHBondContact O-N 3.49Å; A129-L133 VanDerWaalsContact O-CB 3.32Å; A129-L133 WeakPolarHBondContact O-CB 3.47Å; A129-L133 PolarHBondContact O-N 3.21Å
130L91.6Very high87.1Confident96 Ų9671.9 Ų71.950%0.50343%0.427SS..Hα-helixtrans-61.3-45.2174.6-74171.6000111.9L126 S127 Q128 I132 L133 L134L126-L130 WeakPolarHBondContact O-CB 3.36Å; L126-L130 WeakPolarHBondContact O-CG 3.33Å; L126-L130 PolarHBondContact O-N 3.39Å; S127-L130 PolarHBondContact O-N 2.83Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.32Å; L130-I132 VanDerWaalsContact C-N 3.28Å; L130-I132 PolarHBondContact O-N 2.84Å; L130-L133 PolarHBondContact O-N 3.39Å; L130-L134 HydrophobicContact CB-CD1 4.44Å; L130-L134 VanDerWaalsContact O-CB 3.23Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.38Å; L130-L134 PolarHBondContact O-N 3.47Å
131N89.3Confident87.7Confident49 Ų4974 Ų7426%0.26245%0.445SS..Hα-helixtrans-59.2-39177.8-77.1-41.7000112.8S127 Q128 G135 L136 K137S127-N131 WeakPolarHBondContact O-CB 3.25Å; S127-N131 VanDerWaalsContact O-CG 3.25Å; S127-N131 PolarHBondContact O-N 3.41Å; S127-N131 PolarHBondContact O-ND2 2.63Å; Q128-N131 PolarHBondContact O-N 3.47Å; N131-G135 PolarHBondContact O-N 2.88Å; N131-L136 PolarHBondContact O-N 3.2Å; N131-L136 WeakPolarHBondContact OD1-CD1 3.27Å; N131-K137 HydrophobicContact CB-CG 4.47Å
132I87.6Confident88.1Confident70 Ų7073.7 Ų73.736%0.35945%0.452SS..Hα-helixtrans-71.2-49.8177.5-67167.2000110.1C64 Q128 A129 L130 L134 G135C64-I132 HydrophobicContact CB-CD1 3.87Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 PolarHBondContact O-N 3.03Å; A129-I132 PolarHBondContact O-N 3.49Å; L130-I132 VanDerWaalsContact C-N 3.28Å; L130-I132 PolarHBondContact O-N 2.84Å; I132-L134 VanDerWaalsContact C-N 3.32Å; I132-L134 PolarHBondContact O-N 3.02Å; I132-G135 PolarHBondContact O-N 3.32Å; I132-G135 VanDerWaalsContact O-N 3.08Å
133L88.6Confident88.3Confident148 Ų14875.8 Ų75.878%0.77545%0.453SS*.Hα-helixtrans-64.2-36.9-176-172.665.6000112.6A129 L130 G135A129-L133 VanDerWaalsContact O-CB 3.32Å; A129-L133 WeakPolarHBondContact O-CB 3.47Å; A129-L133 PolarHBondContact O-N 3.21Å; L130-L133 PolarHBondContact O-N 3.39Å; L133-G135 VanDerWaalsContact C-N 3.31Å
134L90.8Very high88.3Confident116 Ų11675.7 Ų75.761%0.60745%0.452SS*.THydrogen-bonded Turntrans-84.6-2.7177.5-64.4170.2000113L130 I132 L136L130-L134 HydrophobicContact CB-CD1 4.44Å; L130-L134 VanDerWaalsContact O-CB 3.23Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.38Å; L130-L134 PolarHBondContact O-N 3.47Å; I132-L134 VanDerWaalsContact C-N 3.32Å; I132-L134 PolarHBondContact O-N 3.02Å; L134-L136 VanDerWaalsContact C-N 3.26Å; L134-L136 HydrophobicContact CB-CD1 4.17Å; L134-L136 HydrophobicContact CB-CD2 4.43Å; L134-L136 HydrophobicContact CB-CG 3.83Å; L134-L136 HydrophobicContact CD1-CD1 4.15Å; L134-L136 PolarHBondContact O-N 3.35Å
135G85.9Confident88.3Confident50 Ų5076.6 Ų76.652%0.51546%0.46SS..THydrogen-bonded Turntrans65.723.618000000114.6N131 I132 L133 K137 G138N131-G135 PolarHBondContact O-N 2.88Å; I132-G135 PolarHBondContact O-N 3.32Å; I132-G135 VanDerWaalsContact O-N 3.08Å; L133-G135 VanDerWaalsContact C-N 3.31Å; G135-K137 PolarHBondContact O-N 2.9Å; G135-K137 VanDerWaalsContact O-N 3.08Å; G135-G138 PolarHBondContact O-N 3.37Å
136L85.3Confident88.3Confident113 Ų11376.8 Ų76.859%0.59246%0.459SS*.THydrogen-bonded Turntrans-68.7-9.3-174.3-64.6177000113.9N131 L134N131-L136 PolarHBondContact O-N 3.2Å; N131-L136 WeakPolarHBondContact OD1-CD1 3.27Å; L134-L136 VanDerWaalsContact C-N 3.26Å; L134-L136 HydrophobicContact CB-CD1 4.17Å; L134-L136 HydrophobicContact CB-CD2 4.43Å; L134-L136 HydrophobicContact CB-CG 3.83Å; L134-L136 HydrophobicContact CD1-CD1 4.15Å; L134-L136 PolarHBondContact O-N 3.35Å
137K82.7Confident88.1Confident81 Ų8175.2 Ų75.235%0.35245%0.454SS..THydrogen-bonded Turntrans-97.911.2178.6-61.9-175.9-176.6176.30113.8N61 N131 G135 L139N61-K137 PolarHBondContact OD1-NZ 3.04Å; N131-K137 HydrophobicContact CB-CG 4.47Å; G135-K137 PolarHBondContact O-N 2.9Å; G135-K137 VanDerWaalsContact O-N 3.08Å; K137-L139 PolarHBondContact O-N 3.42Å
138G84.5Confident87.7Confident57 Ų5774.5 Ų74.559%0.58845%0.449SS*.PPolyproline II helixtrans-58.2135.4173.200000111.2G135G135-G138 PolarHBondContact O-N 3.37Å
139L88.6Confident87.3Confident98 Ų9878 Ų7851%0.51347%0.465SS..PPolyproline II helixtrans-67.8144.3175.4-78.376.2000109.9K137 E143 I144 V147K137-L139 PolarHBondContact O-N 3.42Å; L139-E143 HydrophobicContact CB-CB 4.22Å; L139-E143 HydrophobicContact CD2-CB 4.16Å; L139-E143 HydrophobicContact CG-CB 4.45Å; L139-I144 HydrophobicContact CB-CD1 4.36Å; L139-I144 HydrophobicContact CB-CG1 3.75Å; L139-V147 HydrophobicContact CD2-CG2 4.46Å
140T90.3Very high86.9Confident70 Ų7084.2 Ų84.243%0.42948%0.481SS..PPolyproline II helixtrans-69.3155172.7640000110.8A142 E143 I144T140-A142 PolarHBondContact O-N 2.98Å; T140-A142 VanDerWaalsContact O-N 3.1Å; T140-E143 WeakPolarHBondContact CB-OE2 3.41Å; T140-E143 PolarHBondContact N-OE2 3.16Å; T140-E143 PolarHBondContact O-N 3.21Å; T140-E143 VanDerWaalsContact OG1-CD 3.29Å; T140-E143 VanDerWaalsContact OG1-CG 3.28Å; T140-E143 WeakPolarHBondContact OG1-CG 3.46Å; T140-E143 PolarHBondContact OG1-N 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.88Å; T140-I144 WeakPolarHBondContact O-CG1 3.17Å; T140-I144 PolarHBondContact O-N 3.49Å
141P90.7Very high86Confident110 Ų11081 Ų8171%0.71447%0.471SS*.Hα-helixtrans-55.3-32.4177.4-27.835.4000113.8S145P141-S145 VanDerWaalsContact O-CB 3.29Å; P141-S145 WeakPolarHBondContact O-CB 3.34Å; P141-S145 PolarHBondContact O-N 3.37Å
142A89.1Confident85.1Confident59 Ų5983 Ų8349%0.48848%0.482SS..Hα-helixtrans-68.6-38.2176.900000112.5R14 T140 A146R14-A142 PolarHBondContact NH2-O 3.41Å; T140-A142 PolarHBondContact O-N 2.98Å; T140-A142 VanDerWaalsContact O-N 3.1Å; A142-A146 WeakPolarHBondContact O-CB 3.4Å; A142-A146 PolarHBondContact O-N 3.01Å
143E89.5Confident84.3Confident99 Ų9983 Ų8346%0.46348%0.48SS..Hα-helixtrans-71.2-42.9175.7-69.7165.5137.900111.3L139 T140 S145 A146 V147L139-E143 HydrophobicContact CB-CB 4.22Å; L139-E143 HydrophobicContact CD2-CB 4.16Å; L139-E143 HydrophobicContact CG-CB 4.45Å; T140-E143 WeakPolarHBondContact CB-OE2 3.41Å; T140-E143 PolarHBondContact N-OE2 3.16Å; T140-E143 PolarHBondContact O-N 3.21Å; T140-E143 VanDerWaalsContact OG1-CD 3.29Å; T140-E143 VanDerWaalsContact OG1-CG 3.28Å; T140-E143 WeakPolarHBondContact OG1-CG 3.46Å; T140-E143 PolarHBondContact OG1-N 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.88Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 2.77Å; E143-A146 WeakPolarHBondContact O-CB 3.15Å; E143-A146 PolarHBondContact O-N 3.41Å; E143-A146 VanDerWaalsContact O-N 3.14Å; E143-V147 WeakPolarHBondContact O-CG2 3.4Å; E143-V147 PolarHBondContact O-N 2.9Å
144I87.3Confident84.1Confident86 Ų8680.9 Ų80.944%0.44147%0.469SS..Hα-helixtrans-57.2-49.5174.1-63.7171.2000109.8L139 T140 A146 V147 C148L139-I144 HydrophobicContact CB-CD1 4.36Å; L139-I144 HydrophobicContact CB-CG1 3.75Å; T140-I144 WeakPolarHBondContact O-CG1 3.17Å; T140-I144 PolarHBondContact O-N 3.49Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 3.38Å; I144-V147 PolarHBondContact O-N 3.46Å; I144-V147 VanDerWaalsContact O-N 3.15Å; I144-C148 PolarHBondContact O-N 3.15Å; I144-C148 PolarHBondContact O-SG 3.03Å; I144-C148 VanDerWaalsContact O-SG 3.32Å
145S85.5Confident84.1Confident41 Ų4177 Ų7729%0.28745%0.45SS..Hα-helixtrans-59.9-39.1176.9164.80000112.3R14 P141 E143 C148 E149R14-S145 PolarHBondContact NH1-OG 3.06Å; R14-S145 VanDerWaalsContact NH1-OG 3.13Å; R14-S145 PolarHBondContact NH2-OG 3.27Å; P141-S145 VanDerWaalsContact O-CB 3.29Å; P141-S145 WeakPolarHBondContact O-CB 3.34Å; P141-S145 PolarHBondContact O-N 3.37Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 2.77Å; S145-C148 PolarHBondContact O-N 3.13Å; S145-E149 WeakPolarHBondContact O-CB 3.29Å; S145-E149 WeakPolarHBondContact O-CG 3.45Å; S145-E149 PolarHBondContact O-N 2.96Å; S145-E149 PolarHBondContact OG-OE1 3.43Å
146A87.4Confident84.3Confident34 Ų3474.6 Ų74.628%0.28143%0.425SS..Hα-helixtrans-65.6-39175.800000112.5A142 E143 I144 K150A142-A146 WeakPolarHBondContact O-CB 3.4Å; A142-A146 PolarHBondContact O-N 3.01Å; E143-A146 WeakPolarHBondContact O-CB 3.15Å; E143-A146 PolarHBondContact O-N 3.41Å; E143-A146 VanDerWaalsContact O-N 3.14Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 3.38Å; A146-K150 WeakPolarHBondContact O-CB 3.17Å; A146-K150 PolarHBondContact O-N 2.81Å
147V86.6Confident84.7Confident74 Ų7473 Ų7345%0.44841%0.414SS..Hα-helixtrans-64.7-48.6175172.10000110.5L139 E143 I144 K150 G151 F153L139-V147 HydrophobicContact CD2-CG2 4.46Å; E143-V147 WeakPolarHBondContact O-CG2 3.4Å; E143-V147 PolarHBondContact O-N 2.9Å; I144-V147 PolarHBondContact O-N 3.46Å; I144-V147 VanDerWaalsContact O-N 3.15Å; V147-K150 PolarHBondContact O-N 2.92Å; V147-G151 PolarHBondContact O-N 3.28Å; V147-F153 HydrophobicContact CG1-CD2 4.09Å; V147-F153 HydrophobicContact CG1-CE2 3.85Å; V147-F153 WeakPolarHBondContact O-CD2 3.44Å; V147-F153 WeakPolarHBondContact O-CE2 3.19Å
148C82.1Confident85.3Confident31 Ų3171.2 Ų71.221%0.20942%0.419CS..Hα-helixtrans-60.7-45.6179-68.70000112.8I144 S145 N152 F153I144-C148 PolarHBondContact O-N 3.15Å; I144-C148 PolarHBondContact O-SG 3.03Å; I144-C148 VanDerWaalsContact O-SG 3.32Å; S145-C148 PolarHBondContact O-N 3.13Å; C148-N152 PolarHBondContact O-N 2.76Å; C148-N152 VanDerWaalsContact O-N 3.1Å; C148-F153 PolarHBondContact O-N 3.03Å
149E80.9Confident85.9Confident99 Ų9969.9 Ų69.946%0.46340%0.399SS..Hα-helixtrans-67.6-38.4178.6-77.7171.1-144.200112.4R14 S145R14-E149 IonicContact CZ-OE1 3.01Å; R14-E149 IonicContact CZ-OE2 3.46Å; R14-E149 IonicContact NH1-OE1 3.99Å; R14-E149 PolarHBondContact NH1-OE1 3.04Å; R14-E149 IonicContact NH1-OE2 2.83Å; R14-E149 PolarHBondContact NH1-OE2 3.41Å; R14-E149 IonicContact NH2-OE1 3.6Å; S145-E149 WeakPolarHBondContact O-CB 3.29Å; S145-E149 WeakPolarHBondContact O-CG 3.45Å; S145-E149 PolarHBondContact O-N 2.96Å; S145-E149 PolarHBondContact OG-OE1 3.43Å
150K81.2Confident86.3Confident187 Ų18765.2 Ų65.281%0.81337%0.374SS*.Hα-helixtrans-71.7-35.9-178.6-173.3178.7178.4-175.20112.4A146 V147A146-K150 WeakPolarHBondContact O-CB 3.17Å; A146-K150 PolarHBondContact O-N 2.81Å; V147-K150 PolarHBondContact O-N 2.92Å
151G71.2Confident86.6Confident29 Ų2968 Ų6830%0.29938%0.377SS..Hα-helixtrans-100.42.8-175.800000115.6V147 F153V147-G151 PolarHBondContact O-N 3.28Å; G151-F153 WeakPolarHBondContact O-CD1 3.47Å; G151-F153 PolarHBondContact O-N 3.17Å; G151-F153 VanDerWaalsContact O-N 3.16Å
152N71.9Confident86.9Confident90 Ų9066.6 Ų66.648%0.48137%0.37SS..THydrogen-bonded Turntrans52.833.4-176.1-61.4-38.5000113.6C148 N154 V155C148-N152 PolarHBondContact O-N 2.76Å; C148-N152 VanDerWaalsContact O-N 3.1Å; N152-N154 PolarHBondContact O-N 2.61Å; N152-V155 WeakPolarHBondContact O-CG2 3.31Å
153F70.8Confident87.3Confident72 Ų7264.4 Ų64.432%0.31635%0.349SS..THydrogen-bonded Turntrans-73.50.5-167.3-64.7-54.3000115.7V147 C148 G151V147-F153 HydrophobicContact CG1-CD2 4.09Å; V147-F153 HydrophobicContact CG1-CE2 3.85Å; V147-F153 WeakPolarHBondContact O-CD2 3.44Å; V147-F153 WeakPolarHBondContact O-CE2 3.19Å; C148-F153 PolarHBondContact O-N 3.03Å; G151-F153 WeakPolarHBondContact O-CD1 3.47Å; G151-F153 PolarHBondContact O-N 3.17Å; G151-F153 VanDerWaalsContact O-N 3.16Å
154N83.1Confident87.7Confident103 Ų10360.1 Ų60.155%0.55133%0.329SS*.THydrogen-bonded Turntrans-95.9-0.2-174.2-65.5-20.4000114N152 G158N152-N154 PolarHBondContact O-N 2.61Å; N154-G158 PolarHBondContact O-N 3.4Å
155V90.6Very high88.1Confident33 Ų3359.4 Ų59.420%0.233%0.325CS..Hα-helixtrans-65.2-50.6-173.6177.60000111.2N152 H157 G158 L159 L268 M271N152-V155 WeakPolarHBondContact O-CG2 3.31Å; V155-H157 VanDerWaalsContact C-N 3.33Å; V155-H157 PolarHBondContact O-N 2.99Å; V155-G158 PolarHBondContact O-N 2.98Å; V155-L159 HydrophobicContact CG1-CD1 3.75Å; V155-L159 HydrophobicContact CG1-CG 4.12Å; V155-L159 WeakPolarHBondContact O-CB 3.36Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 3.3Å; V155-L268 HydrophobicContact CG1-CD2 3.76Å; V155-M271 HydrophobicContact CG1-CE 4.07Å; V155-M271 HydrophobicContact CG1-SD 4.02Å; V155-M271 HydrophobicContact CG2-CE 4.04Å
156A91.8Very high88.5Confident0 Ų059.3 Ų59.30%033%0.331CS..Hα-helixtrans-57.4-43.2-178.300000113.2L159 A160 Q287 L290 F291A156-L159 PolarHBondContact O-N 3.37Å; A156-A160 WeakPolarHBondContact O-CB 3.5Å; A156-A160 PolarHBondContact O-N 3.25Å; A156-Q287 HydrophobicContact CB-CB 4.33Å; A156-Q287 WeakPolarHBondContact CB-O 3.33Å; A156-L290 HydrophobicContact CB-CB 3.81Å; A156-L290 HydrophobicContact CB-CD2 3.84Å; A156-L290 HydrophobicContact CB-CG 3.69Å; A156-F291 HydrophobicContact CB-CB 4.16Å
157H92.4Very high88.9Confident79 Ų7959.6 Ų59.637%0.36633%0.325SS..Hα-helixtrans-63.8-46.8177.8-77.287.1000111.7V155 L159 A160 W161V155-H157 VanDerWaalsContact C-N 3.33Å; V155-H157 PolarHBondContact O-N 2.99Å; H157-L159 VanDerWaalsContact C-N 3.32Å; H157-L159 PolarHBondContact O-N 3.03Å; H157-A160 PolarHBondContact O-N 3.34Å; H157-W161 PolarHBondContact O-N 3.44Å
158G95Very high89.3Confident44 Ų4456 Ų5645%0.45430%0.303SS..Hα-helixtrans-60.2-42.6177.100000112.2N154 V155 S162N154-G158 PolarHBondContact O-N 3.4Å; V155-G158 PolarHBondContact O-N 2.98Å; G158-S162 WeakPolarHBondContact O-CB 3.43Å; G158-S162 PolarHBondContact O-N 2.85Å
159L97.1Very high89.9Confident30 Ų3061.7 Ų61.716%0.15732%0.32CS..Hα-helixtrans-65.5-42.6177.1-71.7-178.2000112.7V155 A156 H157 S162 Y163 P264 T267 L268 F291V155-L159 HydrophobicContact CG1-CD1 3.75Å; V155-L159 HydrophobicContact CG1-CG 4.12Å; V155-L159 WeakPolarHBondContact O-CB 3.36Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 3.3Å; A156-L159 PolarHBondContact O-N 3.37Å; H157-L159 VanDerWaalsContact C-N 3.32Å; H157-L159 PolarHBondContact O-N 3.03Å; L159-S162 PolarHBondContact O-N 2.92Å; L159-Y163 VanDerWaalsContact O-CB 3.31Å; L159-Y163 WeakPolarHBondContact O-CB 3.44Å; L159-Y163 PolarHBondContact O-N 3.07Å; L159-P264 HydrophobicContact CB-CB 3.96Å; L159-P264 HydrophobicContact CD1-CB 4.19Å; L159-P264 HydrophobicContact CD2-CB 4.24Å; L159-P264 HydrophobicContact CG-CB 4.35Å; L159-T267 HydrophobicContact CD2-CG2 4.41Å; L159-L268 HydrophobicContact CD1-CD1 4.44Å; L159-L268 HydrophobicContact CD1-CD2 3.63Å; L159-L268 HydrophobicContact CD1-CG 3.76Å; L159-F291 HydrophobicContact CB-CD2 4.19Å; L159-F291 HydrophobicContact CB-CE2 4.46Å
160A97.2Very high90.4Very high0 Ų057.9 Ų57.90%030%0.303CS..Hα-helixtrans-62.2-49.7177.600000111.6A156 H157 S162 Y163 Y164 F291 T294 I298A156-A160 WeakPolarHBondContact O-CB 3.5Å; A156-A160 PolarHBondContact O-N 3.25Å; H157-A160 PolarHBondContact O-N 3.34Å; A160-S162 PolarHBondContact O-N 3.34Å; A160-Y163 PolarHBondContact O-N 3.35Å; A160-Y164 WeakPolarHBondContact O-CB 3.4Å; A160-Y164 PolarHBondContact O-N 3.36Å; A160-F291 HydrophobicContact CB-CD2 3.92Å; A160-F291 HydrophobicContact CB-CE2 4.2Å; A160-T294 HydrophobicContact CB-CG2 3.7Å; A160-I298 HydrophobicContact CB-CD1 4.04Å
161W96.9Very high91Very high128 Ų12849 Ų4949%0.48526%0.264SS..Hα-helixtrans-64.6-39.9176.7-81.5110.1000112.8H157 Y163 Y164 I165 I298H157-W161 PolarHBondContact O-N 3.44Å; W161-Y163 VanDerWaalsContact C-N 3.34Å; W161-Y163 PolarHBondContact O-N 3.04Å; W161-Y164 HydrophobicContact CE3-CD1 4.18Å; W161-Y164 HydrophobicContact CZ3-CD1 4Å; W161-Y164 HydrophobicContact CZ3-CE1 4.37Å; W161-Y164 PolarHBondContact O-N 2.92Å; W161-I165 HydrophobicContact CE3-CD1 4.39Å; W161-I165 HydrophobicContact CE3-CG1 3.99Å; W161-I165 HydrophobicContact CZ3-CD1 4.4Å; W161-I165 HydrophobicContact CZ3-CG1 4.5Å; W161-I165 WeakPolarHBondContact O-CB 3.46Å; W161-I165 WeakPolarHBondContact O-CG1 3.34Å; W161-I165 PolarHBondContact O-N 2.87Å; W161-I298 HydrophobicContact CD2-CD1 3.76Å; W161-I298 HydrophobicContact CD2-CG1 4.39Å; W161-I298 HydrophobicContact CE3-CD1 4.15Å; W161-I298 HydrophobicContact CG-CD1 4.09Å; W161-I298 HydrophobicContact CH2-CD1 4.49Å; W161-I298 HydrophobicContact CH2-CG1 4.1Å; W161-I298 HydrophobicContact CZ2-CD1 4.15Å; W161-I298 HydrophobicContact CZ2-CG1 3.89Å; W161-I298 HydrophobicContact CZ3-CD1 4.49Å; W161-I298 HydrophobicContact CZ3-CG1 4.43Å; W161-I298 HydrophobicContact CZ3-CG2 4.33Å
162S97.6Very high92.1Very high81 Ų8147.7 Ų47.757%0.56625%0.25SS*.Hα-helixtrans-62.1-42.5175.6-1770000111.5G158 L159 A160 G166G158-S162 WeakPolarHBondContact O-CB 3.43Å; G158-S162 PolarHBondContact O-N 2.85Å; L159-S162 PolarHBondContact O-N 2.92Å; A160-S162 PolarHBondContact O-N 3.34Å; S162-G166 VanDerWaalsContact O-CA 3.25Å; S162-G166 WeakPolarHBondContact O-CA 3.17Å; S162-G166 PolarHBondContact O-N 3.02Å
163Y97.8Very high93Very high12 Ų1246.7 Ų46.75%0.04725%0.249CC..Hα-helixtrans-68.4-43.3178.1-171.2-119000111.7L159 A160 W161 Y167 L168 I200 E260 P264 F291 L295L159-Y163 VanDerWaalsContact O-CB 3.31Å; L159-Y163 WeakPolarHBondContact O-CB 3.44Å; L159-Y163 PolarHBondContact O-N 3.07Å; A160-Y163 PolarHBondContact O-N 3.35Å; W161-Y163 VanDerWaalsContact C-N 3.34Å; W161-Y163 PolarHBondContact O-N 3.04Å; Y163-Y167 HydrophobicContact CD2-CD1 4.11Å; Y163-Y167 AromaticContact CE2-CD1 3.46Å; Y163-Y167 HydrophobicContact CE2-CD1 3.46Å; Y163-Y167 VanDerWaalsContact CE2-CD1 3.46Å; Y163-Y167 HydrophobicContact CE2-CE1 4.02Å; Y163-Y167 HydrophobicContact CE2-CG 4.33Å; Y163-Y167 AromaticContact CZ-CD1 3.74Å; Y163-Y167 WeakPolarHBondContact O-CB 3.38Å; Y163-Y167 PolarHBondContact O-N 3.16Å; Y163-Y167 VanDerWaalsContact O-N 3.12Å; Y163-L168 HydrophobicContact CD1-CD1 3.79Å; Y163-L168 HydrophobicContact CD1-CG 3.96Å; Y163-L168 HydrophobicContact CE1-CD1 3.7Å; Y163-L168 HydrophobicContact CE1-CD2 3.83Å; Y163-L168 HydrophobicContact CE1-CG 3.76Å; Y163-L168 PolarHBondContact O-N 3.38Å; Y163-I200 HydrophobicContact CE1-CD1 4.36Å; Y163-E260 PolarHBondContact OH-OE1 3.07Å; Y163-P264 HydrophobicContact CD2-CG 3.8Å; Y163-P264 HydrophobicContact CG-CG 3.82Å; Y163-F291 HydrophobicContact CD1-CZ 4.4Å; Y163-L295 HydrophobicContact CD1-CD1 4.3Å; Y163-L295 HydrophobicContact CD1-CD2 4.06Å; Y163-L295 HydrophobicContact CE1-CD2 4.29Å
164Y96.9Very high93.9Very high9 Ų945.4 Ų45.44%0.03526%0.256CS..Iπ-helixtrans-64.3-58.2177.7177.5-112.5000111.9A160 W161 L168 R169 I298 L299 N302A160-Y164 WeakPolarHBondContact O-CB 3.4Å; A160-Y164 PolarHBondContact O-N 3.36Å; W161-Y164 HydrophobicContact CE3-CD1 4.18Å; W161-Y164 HydrophobicContact CZ3-CD1 4Å; W161-Y164 HydrophobicContact CZ3-CE1 4.37Å; W161-Y164 PolarHBondContact O-N 2.92Å; Y164-L168 HydrophobicContact CD2-CB 4.05Å; Y164-L168 HydrophobicContact CD2-CD1 4.45Å; Y164-L168 PolarHBondContact O-N 3.17Å; Y164-L168 VanDerWaalsContact O-N 3.16Å; Y164-R169 HydrophobicContact CE2-CB 4.47Å; Y164-R169 VanDerWaalsContact O-CB 3.3Å; Y164-R169 WeakPolarHBondContact O-CB 3.21Å; Y164-R169 PolarHBondContact O-N 3.45Å; Y164-I298 HydrophobicContact CD1-CG2 3.46Å; Y164-I298 VanDerWaalsContact CD1-CG2 3.46Å; Y164-I298 HydrophobicContact CD2-CG2 3.77Å; Y164-I298 HydrophobicContact CE1-CG2 3.83Å; Y164-I298 HydrophobicContact CE2-CG2 4.15Å; Y164-I298 HydrophobicContact CG-CG2 3.43Å; Y164-I298 VanDerWaalsContact CG-CG2 3.43Å; Y164-L299 HydrophobicContact CD2-CD2 4.24Å; Y164-L299 HydrophobicContact CE2-CD2 4.22Å; Y164-N302 WeakPolarHBondContact OH-CB 3.45Å; Y164-N302 PolarHBondContact OH-ND2 3.21Å; Y164-N302 PolarHBondContact OH-OD1 3Å
165I95.5Very high94.3Very high71 Ų7140.5 Ų40.536%0.36423%0.23SC..Iπ-helixtrans-71.3-41.1-174.9-62.9-64.9000111.9W161W161-I165 HydrophobicContact CE3-CD1 4.39Å; W161-I165 HydrophobicContact CE3-CG1 3.99Å; W161-I165 HydrophobicContact CZ3-CD1 4.4Å; W161-I165 HydrophobicContact CZ3-CG1 4.5Å; W161-I165 WeakPolarHBondContact O-CB 3.46Å; W161-I165 WeakPolarHBondContact O-CG1 3.34Å; W161-I165 PolarHBondContact O-N 2.87Å
166G94.3Very high94.3Very high40 Ų4042.8 Ų42.841%0.41224%0.238SC..Iπ-helixtrans-79.9-15.6-174.700000114.3S162 L170S162-G166 VanDerWaalsContact O-CA 3.25Å; S162-G166 WeakPolarHBondContact O-CA 3.17Å; S162-G166 PolarHBondContact O-N 3.02Å; G166-L170 VanDerWaalsContact O-CD1 3.32Å; G166-L170 WeakPolarHBondContact O-CD1 3.46Å
167Y95.5Very high94.2Very high39 Ų3945.2 Ų45.215%0.15326%0.258CS..Iπ-helixtrans-141.7-64-175.6178.4-113.4000113.9Y163 R169 L170 I171 Y240 N242 E260Y163-Y167 HydrophobicContact CD2-CD1 4.11Å; Y163-Y167 AromaticContact CE2-CD1 3.46Å; Y163-Y167 HydrophobicContact CE2-CD1 3.46Å; Y163-Y167 VanDerWaalsContact CE2-CD1 3.46Å; Y163-Y167 HydrophobicContact CE2-CE1 4.02Å; Y163-Y167 HydrophobicContact CE2-CG 4.33Å; Y163-Y167 AromaticContact CZ-CD1 3.74Å; Y163-Y167 WeakPolarHBondContact O-CB 3.38Å; Y163-Y167 PolarHBondContact O-N 3.16Å; Y163-Y167 VanDerWaalsContact O-N 3.12Å; Y167-R169 PolarHBondContact O-N 3.01Å; Y167-L170 WeakPolarHBondContact O-CA 3.41Å; Y167-L170 VanDerWaalsContact O-CB 3.31Å; Y167-L170 WeakPolarHBondContact O-CB 3.3Å; Y167-L170 PolarHBondContact O-N 3.2Å; Y167-I171 HydrophobicContact CD1-CG2 4.4Å; Y167-I171 HydrophobicContact CD2-CB 4.47Å; Y167-I171 HydrophobicContact CD2-CG2 4.38Å; Y167-I171 HydrophobicContact CE1-CG2 4.06Å; Y167-I171 HydrophobicContact CE2-CB 4.1Å; Y167-I171 HydrophobicContact CE2-CG1 4.14Å; Y167-I171 HydrophobicContact CE2-CG2 4.02Å; Y167-I171 WeakPolarHBondContact O-CG2 3.24Å; Y167-I171 PolarHBondContact O-N 2.99Å; Y167-Y240 AromaticContact CD2-CD1 3.98Å; Y167-Y240 HydrophobicContact CD2-CD1 3.98Å; Y167-Y240 HydrophobicContact CD2-CE1 4.26Å; Y167-Y240 HydrophobicContact CE2-CD1 4.14Å; Y167-N242 PolarHBondContact OH-ND2 3.16Å; Y167-E260 WeakPolarHBondContact CE1-OE1 3.31Å; Y167-E260 PolarHBondContact OH-OE1 3.25Å; Y167-E260 PolarHBondContact OH-OE2 3.32Å
168L95.8Very high94.2Very high0 Ų042.4 Ų42.40%024%0.244CC..Iπ-helixtrans-60.2-45.7-172.3-63.9-177.9000113Y163 Y164 L170 I171 L172 L198 I200 L295 L299Y163-L168 HydrophobicContact CD1-CD1 3.79Å; Y163-L168 HydrophobicContact CD1-CG 3.96Å; Y163-L168 HydrophobicContact CE1-CD1 3.7Å; Y163-L168 HydrophobicContact CE1-CD2 3.83Å; Y163-L168 HydrophobicContact CE1-CG 3.76Å; Y163-L168 PolarHBondContact O-N 3.38Å; Y164-L168 HydrophobicContact CD2-CB 4.05Å; Y164-L168 HydrophobicContact CD2-CD1 4.45Å; Y164-L168 PolarHBondContact O-N 3.17Å; Y164-L168 VanDerWaalsContact O-N 3.16Å; L168-L170 PolarHBondContact O-N 2.7Å; L168-I171 PolarHBondContact O-N 3.11Å; L168-L172 HydrophobicContact CB-CD1 3.89Å; L168-L172 HydrophobicContact CB-CG 4.31Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 WeakPolarHBondContact O-CG 3.21Å; L168-L172 PolarHBondContact O-N 3.39Å; L168-L198 HydrophobicContact CD2-CD2 4.4Å; L168-I200 HydrophobicContact CD1-CD1 4.3Å; L168-I200 HydrophobicContact CD2-CD1 3.71Å; L168-L295 HydrophobicContact CD1-CD1 3.98Å; L168-L299 HydrophobicContact CD1-CD2 4.35Å
169R93.9Very high94Very high149 Ų14940.3 Ų40.356%0.56222%0.223SC*.Hα-helixtrans-60.9-18.4176.5-172.1173.9178.7-173.31.9112.9Y164 Y167 P173Y164-R169 HydrophobicContact CE2-CB 4.47Å; Y164-R169 VanDerWaalsContact O-CB 3.3Å; Y164-R169 WeakPolarHBondContact O-CB 3.21Å; Y164-R169 PolarHBondContact O-N 3.45Å; Y167-R169 PolarHBondContact O-N 3.01Å; R169-P173 WeakPolarHBondContact O-CD 3.29Å; R169-P173 WeakPolarHBondContact O-CG 3.42Å
170L92.3Very high93.6Very high19 Ų1943.4 Ų43.410%0.09924%0.236CC..Hα-helixtrans-92-43.9178.4-50.4-173.7000111.7G166 Y167 L168 Q228 R232 Y240G166-L170 VanDerWaalsContact O-CD1 3.32Å; G166-L170 WeakPolarHBondContact O-CD1 3.46Å; Y167-L170 WeakPolarHBondContact O-CA 3.41Å; Y167-L170 VanDerWaalsContact O-CB 3.31Å; Y167-L170 WeakPolarHBondContact O-CB 3.3Å; Y167-L170 PolarHBondContact O-N 3.2Å; L168-L170 PolarHBondContact O-N 2.7Å; L170-Q228 PolarHBondContact O-NE2 2.82Å; L170-Q228 PolarHBondContact O-OE1 3.1Å; L170-R232 VanDerWaalsContact CD2-CZ 3.43Å; L170-Y240 HydrophobicContact CD1-CE1 4.32Å; L170-Y240 WeakPolarHBondContact CD1-OH 3.28Å
171I93.7Very high93.2Very high1 Ų146.3 Ų46.31%0.00525%0.254CS..Hα-helixtrans-91.6-26-168.1-158.155000113.5Y167 L168 R178 L198 Q228 Y240 N242Y167-I171 HydrophobicContact CD1-CG2 4.4Å; Y167-I171 HydrophobicContact CD2-CB 4.47Å; Y167-I171 HydrophobicContact CD2-CG2 4.38Å; Y167-I171 HydrophobicContact CE1-CG2 4.06Å; Y167-I171 HydrophobicContact CE2-CB 4.1Å; Y167-I171 HydrophobicContact CE2-CG1 4.14Å; Y167-I171 HydrophobicContact CE2-CG2 4.02Å; Y167-I171 WeakPolarHBondContact O-CG2 3.24Å; Y167-I171 PolarHBondContact O-N 2.99Å; L168-I171 PolarHBondContact O-N 3.11Å; I171-R178 VanDerWaalsContact CD1-NH1 3.34Å; I171-R178 PolarHBondContact O-NH2 3.32Å; I171-L198 HydrophobicContact CG2-CD2 4.44Å; I171-Q228 HydrophobicContact CD1-CB 4.23Å; I171-Y240 VanDerWaalsContact CD1-CB 3.47Å; I171-Y240 HydrophobicContact CD1-CG 4.38Å; I171-N242 WeakPolarHBondContact CG1-OD1 3.25Å
172L93.8Very high92.9Very high1 Ų140.6 Ų40.61%0.00523%0.233CC..SBendtrans-72.5-44.2-179.8-63.6177.6000112.1L168 G174 L175 L198 N308 C309L168-L172 HydrophobicContact CB-CD1 3.89Å; L168-L172 HydrophobicContact CB-CG 4.31Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 WeakPolarHBondContact O-CG 3.21Å; L168-L172 PolarHBondContact O-N 3.39Å; L172-G174 PolarHBondContact O-N 2.9Å; L172-G174 VanDerWaalsContact O-N 3.17Å; L172-L175 HydrophobicContact CD2-CD2 4.28Å; L172-L175 VanDerWaalsContact O-CB 3.28Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 3.37Å; L172-L198 HydrophobicContact CD2-CB 4.16Å; L172-L198 HydrophobicContact CD2-CD2 3.85Å; L172-N308 HydrophobicContact CB-CB 4.46Å; L172-N308 HydrophobicContact CD2-CB 4.36Å; L172-C309 HydrophobicContact CD1-CB 4.28Å; L172-C309 HydrophobicContact CD2-CB 3.82Å
173P91Very high92.4Very high70 Ų7037.3 Ų37.346%0.45521%0.209SC..THydrogen-bonded Turntrans-59.4122.3170.7-23.235.5000110.6R169R169-P173 WeakPolarHBondContact O-CD 3.29Å; R169-P173 WeakPolarHBondContact O-CG 3.42Å
174G89.1Confident91.8Very high44 Ų4443.9 Ų43.945%0.45424%0.24SC..THydrogen-bonded Turntrans84.80.1-177.700000115.3L172 Q176 A177 R178L172-G174 PolarHBondContact O-N 2.9Å; L172-G174 VanDerWaalsContact O-N 3.17Å; G174-Q176 VanDerWaalsContact C-N 3.33Å; G174-Q176 PolarHBondContact O-N 3.48Å; G174-A177 PolarHBondContact O-N 3.02Å; G174-R178 WeakPolarHBondContact O-CG 3.38Å; G174-R178 PolarHBondContact O-N 3.44Å
175L92.4Very high91Very high0 Ų050.1 Ų50.10%027%0.269CS..Hα-helixtrans-53.8-48.8173.4177.366.4000111.7L172 A177 R178 I179 L198 L225 N308L172-L175 HydrophobicContact CD2-CD2 4.28Å; L172-L175 VanDerWaalsContact O-CB 3.28Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 3.37Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3.03Å; L175-R178 VanDerWaalsContact CD1-NH2 3.33Å; L175-R178 WeakPolarHBondContact O-CB 2.95Å; L175-R178 PolarHBondContact O-N 2.92Å; L175-R178 VanDerWaalsContact O-N 3.13Å; L175-I179 HydrophobicContact CD1-CD1 4.04Å; L175-I179 HydrophobicContact CD1-CG1 4.37Å; L175-I179 HydrophobicContact CD2-CD1 4.49Å; L175-I179 HydrophobicContact CG-CD1 3.89Å; L175-I179 WeakPolarHBondContact O-CG1 3.28Å; L175-I179 PolarHBondContact O-N 2.99Å; L175-L198 HydrophobicContact CD2-CB 3.76Å; L175-L225 HydrophobicContact CD1-CD1 3.91Å; L175-N308 VanDerWaalsContact CD2-O 3.28Å; L175-N308 WeakPolarHBondContact CD2-O 3.29Å
176Q89.8Confident90.1Very high81 Ų8152 Ų5238%0.37927%0.273SS..Hα-helixtrans-58.8-42178.8-65.4-174.60.100112.2G174 R178 I179 Q180 N308G174-Q176 VanDerWaalsContact C-N 3.33Å; G174-Q176 PolarHBondContact O-N 3.48Å; Q176-R178 VanDerWaalsContact C-N 3.34Å; Q176-R178 PolarHBondContact O-N 2.89Å; Q176-I179 PolarHBondContact O-N 3.49Å; Q176-Q180 WeakPolarHBondContact O-CB 3.41Å; Q176-Q180 VanDerWaalsContact O-CG 3.26Å; Q176-Q180 WeakPolarHBondContact O-CG 3.05Å; Q176-Q180 PolarHBondContact O-N 2.91Å; Q176-N308 PolarHBondContact NE2-OD1 3.29Å
177A90.4Very high89.2Confident51 Ų5156.9 Ų56.942%0.42129%0.289SS..Hα-helixtrans-64-38.9177.500000111.9G174 L175 Q180 T181G174-A177 PolarHBondContact O-N 3.02Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3.03Å; A177-Q180 PolarHBondContact O-N 3.2Å; A177-T181 WeakPolarHBondContact O-CB 3.36Å; A177-T181 PolarHBondContact O-N 3.47Å; A177-T181 PolarHBondContact O-OG1 3.29Å
178R91.8Very high88.1Confident21 Ų2158.2 Ų58.28%0.07930%0.299CS..Hα-helixtrans-65.8-40.3175-66-178.2-63.2143.60.3111.7I171 G174 L175 Q176 T181 Y182 P226 N242I171-R178 VanDerWaalsContact CD1-NH1 3.34Å; I171-R178 PolarHBondContact O-NH2 3.32Å; G174-R178 WeakPolarHBondContact O-CG 3.38Å; G174-R178 PolarHBondContact O-N 3.44Å; L175-R178 VanDerWaalsContact CD1-NH2 3.33Å; L175-R178 WeakPolarHBondContact O-CB 2.95Å; L175-R178 PolarHBondContact O-N 2.92Å; L175-R178 VanDerWaalsContact O-N 3.13Å; Q176-R178 VanDerWaalsContact C-N 3.34Å; Q176-R178 PolarHBondContact O-N 2.89Å; R178-T181 PolarHBondContact O-N 3.45Å; R178-Y182 PolarHBondContact O-N 3.33Å; R178-P226 WeakPolarHBondContact CD-O 3.22Å; R178-N242 PolarHBondContact NH1-OD1 2.86Å; R178-N242 PolarHBondContact NH2-OD1 2.95Å; R178-N242 VanDerWaalsContact NH2-OD1 3.12Å
179I90.9Very high87Confident0 Ų060.9 Ų60.90%031%0.313CS..Hα-helixtrans-65.5-43.1175.2-68.8172.9000111.3L175 Q176 T181 Y182 N183 L190 Q196 L225 V258L175-I179 HydrophobicContact CD1-CD1 4.04Å; L175-I179 HydrophobicContact CD1-CG1 4.37Å; L175-I179 HydrophobicContact CD2-CD1 4.49Å; L175-I179 HydrophobicContact CG-CD1 3.89Å; L175-I179 WeakPolarHBondContact O-CG1 3.28Å; L175-I179 PolarHBondContact O-N 2.99Å; Q176-I179 PolarHBondContact O-N 3.49Å; I179-T181 PolarHBondContact O-N 3.21Å; I179-Y182 WeakPolarHBondContact O-CB 3.44Å; I179-Y182 PolarHBondContact O-N 2.88Å; I179-N183 WeakPolarHBondContact O-CB 3.49Å; I179-N183 PolarHBondContact O-N 3.39Å; I179-L190 HydrophobicContact CG1-CD1 4.44Å; I179-L190 HydrophobicContact CG2-CB 4.25Å; I179-L190 HydrophobicContact CG2-CD1 3.88Å; I179-Q196 HydrophobicContact CD1-CB 4.46Å; I179-Q196 WeakPolarHBondContact CD1-O 3.49Å; I179-Q196 HydrophobicContact CG2-CG 4.3Å; I179-L225 HydrophobicContact CG1-CD1 3.86Å; I179-L225 HydrophobicContact CG1-CD2 3.92Å; I179-V258 HydrophobicContact CD1-CG2 4.05Å; I179-V258 HydrophobicContact CG1-CG2 4.37Å
180Q88.9Confident86Confident95 Ų9553.9 Ų53.944%0.44429%0.286SS..Hα-helixtrans-61.2-44.6175.3-72.7170.69.900111.6Q176 A177 Y182 N183 Q184Q176-Q180 WeakPolarHBondContact O-CB 3.41Å; Q176-Q180 VanDerWaalsContact O-CG 3.26Å; Q176-Q180 WeakPolarHBondContact O-CG 3.05Å; Q176-Q180 PolarHBondContact O-N 2.91Å; A177-Q180 PolarHBondContact O-N 3.2Å; Q180-Y182 VanDerWaalsContact C-N 3.32Å; Q180-Y182 PolarHBondContact O-N 3.48Å; Q180-N183 PolarHBondContact O-N 3Å; Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 2.69Å
181T89.4Confident84.6Confident61 Ų6161.7 Ų61.737%0.37431%0.314SS..Hα-helixtrans-59.5-43.7176.2-56.60000111A177 R178 I179 Q184 H185 P226A177-T181 WeakPolarHBondContact O-CB 3.36Å; A177-T181 PolarHBondContact O-N 3.47Å; A177-T181 PolarHBondContact O-OG1 3.29Å; R178-T181 PolarHBondContact O-N 3.45Å; I179-T181 PolarHBondContact O-N 3.21Å; T181-Q184 PolarHBondContact O-N 2.88Å; T181-H185 PolarHBondContact O-ND1 2.76Å; T181-P226 HydrophobicContact CG2-CG 4.27Å
182Y89.4Confident83Confident7 Ų763.8 Ų63.83%0.02734%0.336CS..Hα-helixtrans-61.3-47.9175.1-175-93.5000111.8R178 I179 Q180 Q184 H185 Y186 L189 L190 D223 L225 I244R178-Y182 PolarHBondContact O-N 3.33Å; I179-Y182 WeakPolarHBondContact O-CB 3.44Å; I179-Y182 PolarHBondContact O-N 2.88Å; Q180-Y182 VanDerWaalsContact C-N 3.32Å; Q180-Y182 PolarHBondContact O-N 3.48Å; Y182-Q184 VanDerWaalsContact C-N 3.28Å; Y182-Q184 PolarHBondContact O-N 3.5Å; Y182-H185 PolarHBondContact O-N 3.41Å; Y182-Y186 HydrophobicContact CD1-CD2 4.19Å; Y182-Y186 AromaticContact CD2-CD2 3.58Å; Y182-Y186 HydrophobicContact CD2-CD2 3.58Å; Y182-Y186 AromaticContact CD2-CE2 3.75Å; Y182-Y186 HydrophobicContact CD2-CE2 3.75Å; Y182-Y186 AromaticContact CE1-CD2 3.95Å; Y182-Y186 HydrophobicContact CE1-CD2 3.95Å; Y182-Y186 HydrophobicContact CE1-CG 4.18Å; Y182-Y186 AromaticContact CE2-CD2 3.3Å; Y182-Y186 HydrophobicContact CE2-CD2 3.3Å; Y182-Y186 AromaticContact CE2-CE2 3.4Å; Y182-Y186 HydrophobicContact CE2-CE2 3.4Å; Y182-Y186 VanDerWaalsContact CE2-CE2 3.4Å; Y182-Y186 HydrophobicContact CE2-CG 4.1Å; Y182-Y186 HydrophobicContact CG-CD2 4.01Å; Y182-Y186 AromaticContact CZ-CD2 3.49Å; Y182-Y186 VanDerWaalsContact CZ-CD2 3.49Å; Y182-Y186 AromaticContact CZ-CE2 3.99Å; Y182-Y186 AromaticContact CZ-CG 3.82Å; Y182-Y186 WeakPolarHBondContact O-CD2 3.45Å; Y182-Y186 PolarHBondContact O-N 3.13Å; Y182-L189 HydrophobicContact CE1-CB 4.49Å; Y182-L190 HydrophobicContact CD1-CD1 3.99Å; Y182-L190 HydrophobicContact CE1-CD1 4.5Å; Y182-D223 HydrophobicContact CE2-CB 3.97Å; Y182-D223 WeakPolarHBondContact CE2-OD2 3.46Å; Y182-D223 VanDerWaalsContact OH-CB 3.28Å; Y182-D223 WeakPolarHBondContact OH-CB 3.46Å; Y182-D223 PolarHBondContact OH-OD2 2.9Å; Y182-L225 HydrophobicContact CD2-CD2 4.5Å; Y182-L225 HydrophobicContact CG-CD2 4.15Å; Y182-I244 HydrophobicContact CD1-CD1 3.76Å; Y182-I244 HydrophobicContact CD2-CD1 3.8Å; Y182-I244 HydrophobicContact CE1-CD1 3.53Å; Y182-I244 HydrophobicContact CE2-CD1 3.58Å; Y182-I244 HydrophobicContact CG-CD1 3.9Å; Y182-I244 VanDerWaalsContact CZ-CD1 3.45Å
183N87.3Confident81Confident13 Ų1365.8 Ų65.87%0.0735%0.353CS..Hα-helixtrans-60.4-34.6-178.7-86.4-24.9000113.7I179 Q180 H185 N187 N188 L189 L190I179-N183 WeakPolarHBondContact O-CB 3.49Å; I179-N183 PolarHBondContact O-N 3.39Å; Q180-N183 PolarHBondContact O-N 3Å; N183-H185 VanDerWaalsContact C-N 3.27Å; N183-H185 PolarHBondContact O-N 2.8Å; N183-N187 PolarHBondContact O-N 3.26Å; N183-N188 PolarHBondContact O-N 3.37Å; N183-N188 WeakPolarHBondContact OD1-CA 3.48Å; N183-L189 PolarHBondContact OD1-N 3.3Å; N183-L190 PolarHBondContact ND2-O 3.47Å; N183-L190 WeakPolarHBondContact OD1-CA 3.49Å; N183-L190 WeakPolarHBondContact OD1-CB 3.45Å; N183-L190 PolarHBondContact OD1-N 2.92Å
184Q85.3Confident79.3Confident150 Ų15062.9 Ų62.970%0.70133%0.334SS*.Hα-helixtrans-61.8-34.7175.2-72.3170.51.100112.6Q180 T181 Y182Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 2.69Å; T181-Q184 PolarHBondContact O-N 2.88Å; Y182-Q184 VanDerWaalsContact C-N 3.28Å; Y182-Q184 PolarHBondContact O-N 3.5Å
185H80.3Confident78.2Confident140 Ų14061.3 Ų61.365%0.64832%0.316SS*.Hα-helixtrans-89.4-25.8-176.6-67.980.3000113T181 Y182 N183T181-H185 PolarHBondContact O-ND1 2.76Å; Y182-H185 PolarHBondContact O-N 3.41Å; N183-H185 VanDerWaalsContact C-N 3.27Å; N183-H185 PolarHBondContact O-N 2.8Å
186Y77.4Confident77.5Confident111 Ų11163.6 Ų63.644%0.43533%0.327SS..THydrogen-bonded Turntrans-121.542.6-171.2-63.8-79.5000113.3Y182 N188 L189 D223Y182-Y186 HydrophobicContact CD1-CD2 4.19Å; Y182-Y186 AromaticContact CD2-CD2 3.58Å; Y182-Y186 HydrophobicContact CD2-CD2 3.58Å; Y182-Y186 AromaticContact CD2-CE2 3.75Å; Y182-Y186 HydrophobicContact CD2-CE2 3.75Å; Y182-Y186 AromaticContact CE1-CD2 3.95Å; Y182-Y186 HydrophobicContact CE1-CD2 3.95Å; Y182-Y186 HydrophobicContact CE1-CG 4.18Å; Y182-Y186 AromaticContact CE2-CD2 3.3Å; Y182-Y186 HydrophobicContact CE2-CD2 3.3Å; Y182-Y186 AromaticContact CE2-CE2 3.4Å; Y182-Y186 HydrophobicContact CE2-CE2 3.4Å; Y182-Y186 VanDerWaalsContact CE2-CE2 3.4Å; Y182-Y186 HydrophobicContact CE2-CG 4.1Å; Y182-Y186 HydrophobicContact CG-CD2 4.01Å; Y182-Y186 AromaticContact CZ-CD2 3.49Å; Y182-Y186 VanDerWaalsContact CZ-CD2 3.49Å; Y182-Y186 AromaticContact CZ-CE2 3.99Å; Y182-Y186 AromaticContact CZ-CG 3.82Å; Y182-Y186 WeakPolarHBondContact O-CD2 3.45Å; Y182-Y186 PolarHBondContact O-N 3.13Å; Y186-N188 PolarHBondContact O-N 2.95Å; Y186-N188 VanDerWaalsContact O-N 3.07Å; Y186-L189 VanDerWaalsContact O-CG 3.22Å; Y186-L189 WeakPolarHBondContact O-CG 3.42Å; Y186-L189 PolarHBondContact O-N 2.97Å; Y186-D223 PolarHBondContact OH-OD2 3.35Å
187N74.8Confident77.6Confident142 Ų14261.5 Ų61.576%0.75932%0.315SS*.THydrogen-bonded Turntrans52.535.8170.6-161.121.2000114.8N183 L189N183-N187 PolarHBondContact O-N 3.26Å; N187-L189 PolarHBondContact O-N 3.44Å
188N72.8Confident77.8Confident67 Ų6759.1 Ų59.136%0.35830%0.296SS..THydrogen-bonded Turntrans56.544.6-179.1-48.9-73.7000115.1N183 Y186 L190 R191N183-N188 PolarHBondContact O-N 3.37Å; N183-N188 WeakPolarHBondContact OD1-CA 3.48Å; Y186-N188 PolarHBondContact O-N 2.95Å; Y186-N188 VanDerWaalsContact O-N 3.07Å; N188-L190 PolarHBondContact O-N 3.34Å; N188-R191 HydrophobicContact CB-CG 3.8Å; N188-R191 VanDerWaalsContact O-CG 3.3Å; N188-R191 WeakPolarHBondContact O-CG 3.31Å; N188-R191 PolarHBondContact O-N 3.28Å
189L72.6Confident78Confident56 Ų5658.1 Ų58.129%0.29329%0.292SS..SBendtrans-58.2-29.4176-80.4169.5000114.4Y182 N183 Y186 N187 R191 L222 R253 T256Y182-L189 HydrophobicContact CE1-CB 4.49Å; N183-L189 PolarHBondContact OD1-N 3.3Å; Y186-L189 VanDerWaalsContact O-CG 3.22Å; Y186-L189 WeakPolarHBondContact O-CG 3.42Å; Y186-L189 PolarHBondContact O-N 2.97Å; N187-L189 PolarHBondContact O-N 3.44Å; L189-R191 PolarHBondContact O-N 3.21Å; L189-L222 HydrophobicContact CD1-CD2 4.3Å; L189-R253 VanDerWaalsContact CD2-NH1 3.25Å; L189-T256 PolarHBondContact O-OG1 3.07Å
190L72.3Confident78.3Confident1 Ų158.1 Ų58.11%0.00529%0.292CS..SBendtrans-96.763.7171.4-65.5165.8000109.2I179 Y182 N183 N188 L225 I244 T256I179-L190 HydrophobicContact CG1-CD1 4.44Å; I179-L190 HydrophobicContact CG2-CB 4.25Å; I179-L190 HydrophobicContact CG2-CD1 3.88Å; Y182-L190 HydrophobicContact CD1-CD1 3.99Å; Y182-L190 HydrophobicContact CE1-CD1 4.5Å; N183-L190 PolarHBondContact ND2-O 3.47Å; N183-L190 WeakPolarHBondContact OD1-CA 3.49Å; N183-L190 WeakPolarHBondContact OD1-CB 3.45Å; N183-L190 PolarHBondContact OD1-N 2.92Å; N188-L190 PolarHBondContact O-N 3.34Å; L190-L225 HydrophobicContact CD1-CD2 4.49Å; L190-I244 HydrophobicContact CD1-CD1 4.09Å; L190-I244 HydrophobicContact CD2-CG2 4.11Å; L190-T256 HydrophobicContact CD2-CG2 3.58Å; L190-T256 HydrophobicContact CG-CG2 4.32Å
191R62.4Low78.7Confident183 Ų18353.6 Ų53.669%0.69127%0.271SS*.  trans-79.2144.9176.5-106.7170.1-176.4-1674.1110.9N188 L189 S195N188-R191 HydrophobicContact CB-CG 3.8Å; N188-R191 VanDerWaalsContact O-CG 3.3Å; N188-R191 WeakPolarHBondContact O-CG 3.31Å; N188-R191 PolarHBondContact O-N 3.28Å; L189-R191 PolarHBondContact O-N 3.21Å; R191-S195 PolarHBondContact O-OG 3.07Å
192G60.1Low79.1Confident45 Ų4550.7 Ų50.746%0.46425%0.253SS..SBendtrans91.4146.8-177.700000112.9V194 S195G192-V194 PolarHBondContact O-N 3.33Å; G192-S195 PolarHBondContact O-N 2.9Å; G192-S195 VanDerWaalsContact O-N 3.12Å
193A53.7Low79.4Confident44 Ų4450.4 Ų50.436%0.36425%0.252SS..G310 helixtrans-67.9-23.5-178.600000112.6S195 Q196 E340A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.39Å; A193-Q196 VanDerWaalsContact O-CB 3.29Å; A193-Q196 WeakPolarHBondContact O-CB 3.38Å; A193-Q196 PolarHBondContact O-N 3.08Å; A193-Q196 VanDerWaalsContact O-N 3.09Å; A193-E340 WeakPolarHBondContact CA-OE2 3.39Å; A193-E340 VanDerWaalsContact CB-CD 3.44Å; A193-E340 WeakPolarHBondContact CB-OE1 3.37Å; A193-E340 WeakPolarHBondContact CB-OE2 3.49Å
194V54.5Low79.8Confident9 Ų951.1 Ų51.16%0.05526%0.256CS..G310 helixtrans-51.9-40.4164.4-1750000114.6G192 Q196 Y199 L333 E336 E337 E340G192-V194 PolarHBondContact O-N 3.33Å; V194-Q196 PolarHBondContact O-N 3.06Å; V194-Q196 VanDerWaalsContact O-N 3.16Å; V194-Y199 WeakPolarHBondContact CG1-OH 3.39Å; V194-Y199 PolarHBondContact O-OH 3.15Å; V194-L333 HydrophobicContact CG1-CB 3.87Å; V194-L333 HydrophobicContact CG1-CG 3.86Å; V194-L333 VanDerWaalsContact CG1-O 3.24Å; V194-L333 WeakPolarHBondContact CG1-O 3.3Å; V194-E336 HydrophobicContact CB-CG 4.46Å; V194-E336 HydrophobicContact CG1-CB 4.07Å; V194-E336 HydrophobicContact CG1-CG 4.35Å; V194-E336 HydrophobicContact CG2-CB 4.12Å; V194-E336 HydrophobicContact CG2-CG 4.1Å; V194-E337 HydrophobicContact CG2-CB 3.64Å; V194-E337 HydrophobicContact CG2-CG 4.07Å; V194-E340 PolarHBondContact N-OE2 3.44Å
195S66.3Low80.1Confident11 Ų1145.9 Ų45.98%0.07723%0.232CC..G310 helixtrans-79.36.5-178.5-56.80000112.8R191 G192 A193 T256R191-S195 PolarHBondContact O-OG 3.07Å; G192-S195 PolarHBondContact O-N 2.9Å; G192-S195 VanDerWaalsContact O-N 3.12Å; A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.39Å; S195-T256 PolarHBondContact OG-O 3.46Å
196Q78.1Confident80.8Confident47 Ų4739.2 Ų39.222%0.2220%0.202CC..G310 helixtrans-100.70.8-176.2-55.8-162.1-200114.4I179 A193 V194I179-Q196 HydrophobicContact CD1-CB 4.46Å; I179-Q196 WeakPolarHBondContact CD1-O 3.49Å; I179-Q196 HydrophobicContact CG2-CG 4.3Å; A193-Q196 VanDerWaalsContact O-CB 3.29Å; A193-Q196 WeakPolarHBondContact O-CB 3.38Å; A193-Q196 PolarHBondContact O-N 3.08Å; A193-Q196 VanDerWaalsContact O-N 3.09Å; V194-Q196 PolarHBondContact O-N 3.06Å; V194-Q196 VanDerWaalsContact O-N 3.16Å
197R90.4Very high81.4Confident37 Ų3735 Ų3514%0.1419%0.193CC..SBendtrans-102.1156.5176.6-61.6-167.5-177.6144.48.7112.4N307 N308 E336R197-N307 WeakPolarHBondContact CD-O 3.49Å; R197-N307 WeakPolarHBondContact CG-O 3.5Å; R197-N307 PolarHBondContact NE-O 3.26Å; R197-N308 WeakPolarHBondContact CA-O 3.47Å; R197-E336 WeakPolarHBondContact CD-OE1 3.44Å; R197-E336 IonicContact CZ-OE1 2.69Å; R197-E336 IonicContact NE-OE1 3.94Å; R197-E336 PolarHBondContact NE-OE1 2.92Å; R197-E336 IonicContact NH1-OE1 3.82Å; R197-E336 PolarHBondContact NH1-OE1 3.43Å; R197-E336 IonicContact NH1-OE2 3.9Å; R197-E336 PolarHBondContact NH1-OE2 3.46Å; R197-E336 IonicContact NH2-OE1 3.74Å
198L95.2Very high82.3Confident1 Ų129.5 Ų29.51%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-84.8113.7166.4179.461.2000109.7L168 I171 L172 L175 I200 V258 E260 N308 C309 R310L168-L198 HydrophobicContact CD2-CD2 4.4Å; I171-L198 HydrophobicContact CG2-CD2 4.44Å; L172-L198 HydrophobicContact CD2-CB 4.16Å; L172-L198 HydrophobicContact CD2-CD2 3.85Å; L175-L198 HydrophobicContact CD2-CB 3.76Å; L198-I200 HydrophobicContact CD2-CD1 4.35Å; L198-I200 HydrophobicContact CD2-CG1 4.3Å; L198-I200 HydrophobicContact CG-CG1 4.01Å; L198-V258 HydrophobicContact CD1-CB 4.34Å; L198-V258 HydrophobicContact CD1-CG1 3.6Å; L198-E260 HydrophobicContact CD1-CG 3.91Å; L198-E260 WeakPolarHBondContact CD2-OE1 3.39Å; L198-E260 HydrophobicContact CG-CG 4.45Å; L198-N308 PolarHBondContact N-O 3.47Å; L198-C309 HydrophobicContact CB-CB 4.14Å; L198-C309 CarbonylContact O-C 3.46Å; L198-C309 WeakPolarHBondContact O-CA 3.37Å; L198-C309 WeakPolarHBondContact O-CB 3.18Å; L198-R310 PolarHBondContact O-N 3.07Å
199Y95.9Very high83.2Confident0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-87.5121.7173.6-66.1-84.8000109.7V194 C257 V258 L259 E260 R310 I312 L333 E336V194-Y199 WeakPolarHBondContact CG1-OH 3.39Å; V194-Y199 PolarHBondContact O-OH 3.15Å; Y199-C257 HydrophobicContact CD2-CB 3.72Å; Y199-C257 HydrophobicContact CE2-CB 3.89Å; Y199-V258 PolarHBondContact N-O 2.98Å; Y199-L259 WeakPolarHBondContact O-CA 3.33Å; Y199-E260 PolarHBondContact O-N 3.45Å; Y199-R310 HydrophobicContact CD1-CB 3.72Å; Y199-R310 HydrophobicContact CD1-CG 4.22Å; Y199-R310 HydrophobicContact CE1-CB 3.83Å; Y199-R310 HydrophobicContact CE1-CG 4.14Å; Y199-I312 HydrophobicContact CD1-CD1 3.83Å; Y199-I312 HydrophobicContact CD1-CG1 4.41Å; Y199-I312 HydrophobicContact CG-CD1 4.4Å; Y199-L333 HydrophobicContact CD1-CD1 4.31Å; Y199-L333 HydrophobicContact CD2-CD1 4.25Å; Y199-L333 HydrophobicContact CE1-CD1 3.86Å; Y199-L333 HydrophobicContact CE2-CD1 3.76Å; Y199-L333 HydrophobicContact CE2-CG 4.29Å; Y199-L333 HydrophobicContact CG-CD1 4.48Å; Y199-E336 PolarHBondContact OH-OE2 3.38Å
200I97.8Very high84.2Confident0 Ų032.9 Ų32.90%019%0.185CC..EExtended strand (participates in β ladder)trans-110.3121.5-177.4-54.6172.8000107.8Y163 L168 L198 L202 E260 A262 C309 R310 L311 I312Y163-I200 HydrophobicContact CE1-CD1 4.36Å; L168-I200 HydrophobicContact CD1-CD1 4.3Å; L168-I200 HydrophobicContact CD2-CD1 3.71Å; L198-I200 HydrophobicContact CD2-CD1 4.35Å; L198-I200 HydrophobicContact CD2-CG1 4.3Å; L198-I200 HydrophobicContact CG-CG1 4.01Å; I200-L202 HydrophobicContact CB-CD1 4.47Å; I200-L202 HydrophobicContact CG2-CD1 4.2Å; I200-L202 WeakPolarHBondContact O-CD1 3.5Å; I200-E260 CarbonylContact C-O 3.57Å; I200-E260 WeakPolarHBondContact CA-O 3.27Å; I200-E260 HydrophobicContact CG1-CG 4.44Å; I200-A262 HydrophobicContact CG2-CB 3.86Å; I200-C309 HydrophobicContact CD1-CB 4.27Å; I200-R310 PolarHBondContact N-O 3.36Å; I200-L311 HydrophobicContact CB-CD2 4.14Å; I200-L311 HydrophobicContact CD1-CD2 4.09Å; I200-I312 PolarHBondContact O-N 3.14Å
201L97.7Very high85.2Confident0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-87.2129.1178.1-62.5177.2000110.6P203 L212 L259 E260 Y261 A262 I312 Y314 L325 V329L201-P203 WeakPolarHBondContact O-CD 3.46Å; L201-L212 HydrophobicContact CD1-CD2 3.54Å; L201-L259 HydrophobicContact CD1-CD1 4.12Å; L201-L259 HydrophobicContact CD1-CD2 4.16Å; L201-L259 HydrophobicContact CD1-CG 4.05Å; L201-L259 HydrophobicContact CD2-CD1 3.87Å; L201-L259 HydrophobicContact CG-CD1 3.78Å; L201-L259 HydrophobicContact CG-CG 4.23Å; L201-E260 PolarHBondContact N-O 3.01Å; L201-Y261 HydrophobicContact CB-CD1 3.61Å; L201-Y261 HydrophobicContact CB-CE1 3.87Å; L201-Y261 HydrophobicContact CB-CG 4.31Å; L201-Y261 HydrophobicContact CD1-CD1 4.17Å; L201-Y261 HydrophobicContact CD1-CE1 3.87Å; L201-Y261 HydrophobicContact CD1-CE2 4.39Å; L201-A262 PolarHBondContact O-N 3.35Å; L201-I312 HydrophobicContact CD2-CB 4.06Å; L201-I312 HydrophobicContact CD2-CD1 4.24Å; L201-I312 HydrophobicContact CD2-CG2 4.15Å; L201-Y314 HydrophobicContact CB-CE1 4.16Å; L201-Y314 HydrophobicContact CD2-CE1 4.15Å; L201-L325 HydrophobicContact CD1-CD1 4.32Å; L201-L325 HydrophobicContact CD1-CD2 4.03Å; L201-L325 HydrophobicContact CD2-CD1 3.98Å; L201-V329 HydrophobicContact CD2-CG2 3.87Å
202L97.6Very high86.7Confident0 Ų027.6 Ų27.60%017%0.17CC..EExtended strand (participates in β ladder)trans-12578.2179.6-58.196.5000110.7I200 L204 A262 L265 F291 C292 L295 L311 I312 V313 Y314I200-L202 HydrophobicContact CB-CD1 4.47Å; I200-L202 HydrophobicContact CG2-CD1 4.2Å; I200-L202 WeakPolarHBondContact O-CD1 3.5Å; L202-L204 PolarHBondContact O-N 3.45Å; L202-A262 HydrophobicContact CD2-CB 4.38Å; L202-A262 HydrophobicContact CG-CB 4.14Å; L202-L265 HydrophobicContact CB-CD1 4.08Å; L202-F291 HydrophobicContact CD2-CD1 4.19Å; L202-F291 HydrophobicContact CD2-CE1 3.7Å; L202-C292 HydrophobicContact CD2-CB 4.35Å; L202-C292 VanDerWaalsContact CD2-SG 3.53Å; L202-L295 HydrophobicContact CD2-CD2 4.38Å; L202-L311 HydrophobicContact CD1-CB 3.79Å; L202-L311 HydrophobicContact CD1-CD2 4.01Å; L202-L311 HydrophobicContact CD1-CG 4.4Å; L202-I312 PolarHBondContact N-O 3.34Å; L202-V313 HydrophobicContact CB-CB 4.49Å; L202-V313 HydrophobicContact CB-CG2 4.05Å; L202-V313 HydrophobicContact CD1-CG2 4.17Å; L202-Y314 PolarHBondContact O-N 3.33Å
203P95.9Very high88.2Confident1 Ų127.2 Ų27.21%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-67.3119.7173.928.6-36.2000110.8L201 D205 C206 G207 V208 Y261 L265 Y314L201-P203 WeakPolarHBondContact O-CD 3.46Å; P203-D205 WeakPolarHBondContact CB-OD1 3.39Å; P203-D205 PolarHBondContact O-N 2.97Å; P203-C206 WeakPolarHBondContact O-CA 3.38Å; P203-C206 PolarHBondContact O-N 3.42Å; P203-G207 WeakPolarHBondContact CG-O 3.41Å; P203-V208 HydrophobicContact CG-CG2 4.19Å; P203-Y261 HydrophobicContact CG-CD1 4.06Å; P203-Y261 HydrophobicContact CG-CE1 4Å; P203-L265 HydrophobicContact CG-CD1 4.17Å; P203-Y314 HydrophobicContact CB-CD2 4.47Å; P203-Y314 HydrophobicContact CB-CE1 4.29Å; P203-Y314 HydrophobicContact CB-CE2 3.73Å
204L94.4Very high90Very high28 Ų2831.6 Ų31.615%0.14718%0.175CC..THydrogen-bonded Turntrans-70-17.7-175.6-68180000113.9L202 C206 L285 K289 V313 Y314L202-L204 PolarHBondContact O-N 3.45Å; L204-C206 PolarHBondContact O-N 2.98Å; L204-L285 HydrophobicContact CB-CD1 4.05Å; L204-L285 WeakPolarHBondContact O-CD1 3.42Å; L204-K289 HydrophobicContact CD2-CG 4.18Å; L204-V313 HydrophobicContact CD1-CG1 4.07Å; L204-V313 HydrophobicContact CD2-CG1 3.65Å; L204-V313 HydrophobicContact CG-CG1 3.77Å; L204-Y314 PolarHBondContact N-O 2.96Å
205D91.8Very high91.7Very high40 Ų4033.3 Ų33.321%0.21419%0.19CC..THydrogen-bonded Turntrans-75.2-9.8170.369.5-15000112.8P203 G207 R284 E316P203-D205 WeakPolarHBondContact CB-OD1 3.39Å; P203-D205 PolarHBondContact O-N 2.97Å; D205-G207 PolarHBondContact O-N 3.47Å; D205-G207 PolarHBondContact OD1-N 3.22Å; D205-R284 PolarHBondContact O-NE 3.32Å; D205-R284 PolarHBondContact O-NH2 3.22Å; D205-E316 HydrophobicContact CB-CB 3.92Å; D205-E316 HydrophobicContact CB-CG 3.91Å
206C94.6Very high93Very high0 Ų033.3 Ų33.30%019%0.189CC..  trans63.617.6-172.3-57.70000114.4P203 L204 V208 L265 F269 R284P203-C206 WeakPolarHBondContact O-CA 3.38Å; P203-C206 PolarHBondContact O-N 3.42Å; L204-C206 PolarHBondContact O-N 2.98Å; C206-V208 PolarHBondContact O-N 3.15Å; C206-V208 VanDerWaalsContact O-N 3.17Å; C206-L265 HydrophobicContact CB-CB 4.32Å; C206-L265 WeakPolarHBondContact CB-O 3.37Å; C206-F269 HydrophobicContact CB-CB 3.9Å; C206-F269 HydrophobicContact CB-CD2 4.36Å; C206-F269 WeakPolarHBondContact O-CB 3.24Å; C206-R284 HydrophobicContact CB-CG 4.29Å
207G90.5Very high93.7Very high24 Ų2435.6 Ų35.625%0.24721%0.208CC..  trans-72.9101.1172.600000110.5P203 D205 P209P203-G207 WeakPolarHBondContact CG-O 3.41Å; D205-G207 PolarHBondContact O-N 3.47Å; D205-G207 PolarHBondContact OD1-N 3.22Å; G207-P209 VanDerWaalsContact O-CD 3.32Å; G207-P209 WeakPolarHBondContact O-CD 3.19Å
208V93.6Very high94Very high25 Ų2536.5 Ų36.515%0.15222%0.216CC..  trans-113.392-179.8-178.90000109.1P203 C206 Y261 L265 Q266P203-V208 HydrophobicContact CG-CG2 4.19Å; C206-V208 PolarHBondContact O-N 3.15Å; C206-V208 VanDerWaalsContact O-N 3.17Å; V208-Y261 HydrophobicContact CG1-CD1 4.19Å; V208-Y261 HydrophobicContact CG1-CD2 3.98Å; V208-Y261 HydrophobicContact CG1-CG 3.68Å; V208-Y261 HydrophobicContact CG2-CD1 4.43Å; V208-L265 HydrophobicContact CG2-CB 3.9Å; V208-Q266 HydrophobicContact CB-CB 4.2Å; V208-Q266 HydrophobicContact CG2-CB 4.41Å
209P92.3Very high94Very high46 Ų4636.5 Ų36.530%0.29922%0.216SC..  trans-70.6147.2175.228.3-32.8000111.2G207 N211 A215 Y261G207-P209 VanDerWaalsContact O-CD 3.32Å; G207-P209 WeakPolarHBondContact O-CD 3.19Å; P209-N211 PolarHBondContact O-N 3.16Å; P209-A215 HydrophobicContact CG-CB 3.79Å; P209-Y261 HydrophobicContact CG-CE2 3.92Å; P209-Y261 WeakPolarHBondContact CG-OH 3.39Å
210D92.8Very high94Very high148 Ų14842.5 Ų42.579%0.79124%0.238SC*.SBendtrans-70.2-20.1-178.6-60.3-38.8000113.3
211N92.9Very high93.9Very high68 Ų6847.2 Ų47.236%0.36426%0.259SS..  trans-130.1115.8-178.9-173.1-17.6000110.9P209 S213 M214 A215P209-N211 PolarHBondContact O-N 3.16Å; N211-S213 PolarHBondContact O-N 3.49Å; N211-S213 WeakPolarHBondContact OD1-CB 3.32Å; N211-S213 PolarHBondContact OD1-N 3.34Å; N211-M214 HydrophobicContact CB-CB 4.38Å; N211-M214 HydrophobicContact CB-CE 3.69Å; N211-M214 HydrophobicContact CB-CG 3.91Å; N211-M214 HydrophobicContact CB-SD 4.38Å; N211-M214 WeakPolarHBondContact O-CB 3.43Å; N211-M214 PolarHBondContact O-N 3.26Å; N211-A215 PolarHBondContact O-N 3.05Å
212L94Very high93.6Very high6 Ų649.6 Ų49.63%0.03127%0.271CS..Hα-helixtrans-60.5-31177.9-84166.3000113.4L201 M214 A215 D216 I219 Y245 L259 Y261 L325L201-L212 HydrophobicContact CD1-CD2 3.54Å; L212-M214 PolarHBondContact O-N 3.46Å; L212-A215 WeakPolarHBondContact O-CB 3.18Å; L212-A215 PolarHBondContact O-N 2.83Å; L212-A215 VanDerWaalsContact O-N 3.11Å; L212-D216 PolarHBondContact O-N 3.12Å; L212-D216 VanDerWaalsContact O-N 3.09Å; L212-I219 HydrophobicContact CB-CG2 4.03Å; L212-Y245 HydrophobicContact CB-CD1 4.42Å; L212-Y245 HydrophobicContact CB-CE1 3.82Å; L212-Y245 HydrophobicContact CD1-CD1 4.49Å; L212-Y245 HydrophobicContact CD1-CD2 4.17Å; L212-Y245 HydrophobicContact CD1-CE1 3.97Å; L212-Y245 HydrophobicContact CD1-CE2 3.56Å; L212-Y245 VanDerWaalsContact CD1-CZ 3.46Å; L212-L259 HydrophobicContact CD1-CB 4.44Å; L212-L259 HydrophobicContact CD1-CD2 4.02Å; L212-L259 HydrophobicContact CD1-CG 4.1Å; L212-L259 HydrophobicContact CD2-CD2 4.47Å; L212-Y261 HydrophobicContact CD2-CD2 4.08Å; L212-Y261 HydrophobicContact CD2-CE2 3.26Å; L212-Y261 HydrophobicContact CG-CD2 4.3Å; L212-Y261 HydrophobicContact CG-CE2 3.76Å; L212-L325 HydrophobicContact CD2-CD2 4.13Å
213S92.4Very high93.4Very high36 Ų3651.6 Ų51.625%0.25228%0.282SS..Hα-helixtrans-71.1-19.3175.7-57.80000113.4N211 I219N211-S213 PolarHBondContact O-N 3.49Å; N211-S213 WeakPolarHBondContact OD1-CB 3.32Å; N211-S213 PolarHBondContact OD1-N 3.34Å; S213-I219 VanDerWaalsContact CA-O 3.26Å; S213-I219 WeakPolarHBondContact CA-O 3.43Å; S213-I219 WeakPolarHBondContact CB-O 3.37Å; S213-I219 PolarHBondContact OG-O 2.99Å
214M90.4Very high93.3Very high136 Ų13657 Ų5767%0.6731%0.306SS*.Hα-helixtrans-80.9-28.2169.3-63.5-166.5-58.800111.9N211 L212N211-M214 HydrophobicContact CB-CB 4.38Å; N211-M214 HydrophobicContact CB-CE 3.69Å; N211-M214 HydrophobicContact CB-CG 3.91Å; N211-M214 HydrophobicContact CB-SD 4.38Å; N211-M214 WeakPolarHBondContact O-CB 3.43Å; N211-M214 PolarHBondContact O-N 3.26Å; L212-M214 PolarHBondContact O-N 3.46Å
215A90.4Very high93.2Very high46 Ų4655.8 Ų55.838%0.3830%0.299SS..Hα-helixtrans-72.4-42177.400000111.8P209 N211 L212 L325P209-A215 HydrophobicContact CG-CB 3.79Å; N211-A215 PolarHBondContact O-N 3.05Å; L212-A215 WeakPolarHBondContact O-CB 3.18Å; L212-A215 PolarHBondContact O-N 2.83Å; L212-A215 VanDerWaalsContact O-N 3.11Å; A215-L325 HydrophobicContact CB-CD2 4.25Å
216D93.4Very high93.2Very high10 Ų1056 Ų565%0.05330%0.303CS..  trans-148.6117.5173.2-174-23.5000109.2L212 N218 I219 S324 L325 S326L212-D216 PolarHBondContact O-N 3.12Å; L212-D216 VanDerWaalsContact O-N 3.09Å; D216-N218 PolarHBondContact O-N 3.07Å; D216-N218 VanDerWaalsContact OD1-CB 3.28Å; D216-N218 WeakPolarHBondContact OD1-CB 3.44Å; D216-N218 PolarHBondContact OD1-N 3.44Å; D216-N218 PolarHBondContact OD1-ND2 2.87Å; D216-I219 HydrophobicContact CB-CD1 3.96Å; D216-I219 HydrophobicContact CB-CG1 4.02Å; D216-I219 WeakPolarHBondContact O-CB 3.49Å; D216-I219 PolarHBondContact O-N 3.01Å; D216-S324 PolarHBondContact OD2-OG 3.35Å; D216-L325 HydrophobicContact CB-CB 4.11Å; D216-L325 PolarHBondContact OD2-N 2.92Å; D216-S326 WeakPolarHBondContact OD2-CB 3.45Å; D216-S326 PolarHBondContact OD2-N 3.44Å; D216-S326 PolarHBondContact OD2-OG 2.66Å
217P93.8Very high93.1Very high95 Ų9561.9 Ų61.962%0.61733%0.33SS*.THydrogen-bonded Turntrans-59.4-17.3179.5-25.534.3000115.1I219P217-I219 VanDerWaalsContact C-N 3.25Å
218N95.8Very high93Very high57 Ų5763.1 Ų63.131%0.30533%0.33SS..THydrogen-bonded Turntrans-79.8-7.1175-59.3-61.1000112.8D216 L247 L248 S326D216-N218 PolarHBondContact O-N 3.07Å; D216-N218 VanDerWaalsContact OD1-CB 3.28Å; D216-N218 WeakPolarHBondContact OD1-CB 3.44Å; D216-N218 PolarHBondContact OD1-N 3.44Å; D216-N218 PolarHBondContact OD1-ND2 2.87Å; N218-L247 WeakPolarHBondContact O-CA 3.29Å; N218-L248 HydrophobicContact CB-CB 4.09Å; N218-L248 PolarHBondContact O-N 3.34Å; N218-S326 WeakPolarHBondContact CB-OG 3.47Å
219I96.4Very high93Very high0 Ų065.7 Ų65.70%035%0.345CS..EExtended strand (participates in β ladder)trans-100.3108.6172-54.1178.9000107.8L212 S213 D216 P217 Y245 L247 L259 L325L212-I219 HydrophobicContact CB-CG2 4.03Å; S213-I219 VanDerWaalsContact CA-O 3.26Å; S213-I219 WeakPolarHBondContact CA-O 3.43Å; S213-I219 WeakPolarHBondContact CB-O 3.37Å; S213-I219 PolarHBondContact OG-O 2.99Å; D216-I219 HydrophobicContact CB-CD1 3.96Å; D216-I219 HydrophobicContact CB-CG1 4.02Å; D216-I219 WeakPolarHBondContact O-CB 3.49Å; D216-I219 PolarHBondContact O-N 3.01Å; P217-I219 VanDerWaalsContact C-N 3.25Å; I219-Y245 HydrophobicContact CG2-CD1 3.62Å; I219-Y245 HydrophobicContact CG2-CE1 4.4Å; I219-Y245 HydrophobicContact CG2-CG 3.96Å; I219-L247 HydrophobicContact CB-CD2 4.35Å; I219-L247 HydrophobicContact CD1-CD2 4.5Å; I219-L247 HydrophobicContact CG1-CD2 3.82Å; I219-L247 HydrophobicContact CG2-CD2 4.16Å; I219-L259 HydrophobicContact CG2-CD2 4.28Å; I219-L325 HydrophobicContact CD1-CB 4.09Å; I219-L325 HydrophobicContact CD1-CD2 3.73Å; I219-L325 HydrophobicContact CD1-CG 3.7Å
220R95.8Very high93Very high127 Ų12764.9 Ų64.948%0.47934%0.343SS..EExtended strand (participates in β ladder)trans-115.3130.4-177.7-62-179.4177.2172.61.2110.9L222 Y245 E246 L248R220-L222 PolarHBondContact O-N 3.27Å; R220-Y245 CarbonylContact O-C 3.55Å; R220-Y245 VanDerWaalsContact O-CA 3.26Å; R220-Y245 WeakPolarHBondContact O-CA 3.48Å; R220-E246 HydrophobicContact CB-CG 3.65Å; R220-E246 WeakPolarHBondContact CD-OE1 3.44Å; R220-E246 PolarHBondContact N-O 3.06Å; R220-E246 PolarHBondContact O-N 3.47Å; R220-L248 HydrophobicContact CG-CD1 4.45Å
221F95.6Very high93.1Very high98 Ų9861.6 Ų61.643%0.4333%0.325SS..EExtended strand (participates in β ladder)trans-60.1128173.1174.2-97.5000109.7D223 K224 Y245F221-D223 VanDerWaalsContact CE2-O 3.28Å; F221-D223 WeakPolarHBondContact CE2-O 3.36Å; F221-D223 VanDerWaalsContact CZ-C 3.48Å; F221-K224 HydrophobicContact CE2-CG 4.18Å; F221-K224 HydrophobicContact CZ-CG 4.02Å; F221-Y245 HydrophobicContact CB-CD1 4.24Å; F221-Y245 HydrophobicContact CB-CE1 3.91Å; F221-Y245 HydrophobicContact CD2-CE1 4.27Å
222L92.1Very high93Very high50 Ų5063.8 Ų63.826%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-104.5-57.7179.6-175.966000110.5L189 R220 I244 T256L189-L222 HydrophobicContact CD1-CD2 4.3Å; R220-L222 PolarHBondContact O-N 3.27Å; L222-I244 HydrophobicContact CB-CG2 4.32Å; L222-I244 WeakPolarHBondContact CB-O 3.4Å; L222-I244 HydrophobicContact CD2-CG2 3.99Å; L222-I244 PolarHBondContact N-O 3.11Å; L222-T256 HydrophobicContact CD2-CG2 3.8Å
223D92.8Very high92.9Very high43 Ų4368.4 Ų68.423%0.2337%0.368CS..EExtended strand (participates in β ladder)trans-165.4-179-177.6-154.6-7000111.8Y182 Y186 F221 I244Y182-D223 HydrophobicContact CE2-CB 3.97Å; Y182-D223 WeakPolarHBondContact CE2-OD2 3.46Å; Y182-D223 VanDerWaalsContact OH-CB 3.28Å; Y182-D223 WeakPolarHBondContact OH-CB 3.46Å; Y182-D223 PolarHBondContact OH-OD2 2.9Å; Y186-D223 PolarHBondContact OH-OD2 3.35Å; F221-D223 VanDerWaalsContact CE2-O 3.28Å; F221-D223 WeakPolarHBondContact CE2-O 3.36Å; F221-D223 VanDerWaalsContact CZ-C 3.48Å; D223-I244 PolarHBondContact N-O 2.95Å; D223-I244 WeakPolarHBondContact O-CB 3.35Å; D223-I244 PolarHBondContact O-N 3.42Å
224K93.3Very high93Very high114 Ų11470.7 Ų70.750%0.49640%0.397SS..EExtended strand (participates in β ladder)trans-105143.5170.3-65.1179.8-177.1179.30111.1F221F221-K224 HydrophobicContact CE2-CG 4.18Å; F221-K224 HydrophobicContact CZ-CG 4.02Å
225L92.7Very high93.3Very high3 Ų368.5 Ų68.52%0.01639%0.387CS..PPolyproline II helixtrans-66.7153.8166.8-81.9177.2000111.1L175 I179 Y182 L190 Q227 N242 I244 V258L175-L225 HydrophobicContact CD1-CD1 3.91Å; I179-L225 HydrophobicContact CG1-CD1 3.86Å; I179-L225 HydrophobicContact CG1-CD2 3.92Å; Y182-L225 HydrophobicContact CD2-CD2 4.5Å; Y182-L225 HydrophobicContact CG-CD2 4.15Å; L190-L225 HydrophobicContact CD1-CD2 4.49Å; L225-Q227 PolarHBondContact O-N 2.78Å; L225-N242 HydrophobicContact CD1-CB 4.15Å; L225-N242 PolarHBondContact N-O 3.48Å; L225-I244 HydrophobicContact CD2-CD1 3.84Å; L225-I244 HydrophobicContact CD2-CG1 4.33Å; L225-I244 HydrophobicContact CG-CD1 3.98Å; L225-I244 HydrophobicContact CG-CG1 3.98Å; L225-V258 HydrophobicContact CD1-CB 4.47Å; L225-V258 HydrophobicContact CD1-CG1 3.94Å; L225-V258 HydrophobicContact CD1-CG2 3.62Å; L225-V258 HydrophobicContact CG-CG2 4.35Å
226P91.6Very high93.5Very high45 Ų4573.3 Ų73.329%0.29240%0.399SS..PPolyproline II helixtrans-48.1135.3170.6-27.735.2000111.4R178 T181R178-P226 WeakPolarHBondContact CD-O 3.22Å; T181-P226 HydrophobicContact CG2-CG 4.27Å
227Q91.8Very high93.5Very high123 Ų12378.1 Ų78.158%0.57543%0.425SS*.PPolyproline II helixtrans-70.5147.3-174.3-67.5-179.3-7.300111.2L225 V239L225-Q227 PolarHBondContact O-N 2.78Å; Q227-V239 HydrophobicContact CB-CG1 4.05Å; Q227-V239 VanDerWaalsContact CD-CG1 3.5Å; Q227-V239 HydrophobicContact CG-CG1 3.89Å
228Q90.1Very high93.6Very high49 Ų4978.7 Ų78.723%0.22942%0.415CS..EExtended strand (participates in β ladder)trans-109.3129.1167-178.5177.7-10.700108.3L170 I171 Y240L170-Q228 PolarHBondContact O-NE2 2.82Å; L170-Q228 PolarHBondContact O-OE1 3.1Å; I171-Q228 HydrophobicContact CD1-CB 4.23Å; Q228-Y240 PolarHBondContact N-O 3.28Å; Q228-Y240 PolarHBondContact O-N 3.1Å
229T92.2Very high93.5Very high79 Ų7979.5 Ų79.549%0.48542%0.422SS..EExtended strand (participates in β ladder)trans-113.8144176.954.80000110.9R238 V239T229-R238 WeakPolarHBondContact CA-O 3.45Å; T229-V239 HydrophobicContact CG2-CG2 4.06Å
230A92.2Very high93.4Very high29 Ų2980.3 Ų80.324%0.2443%0.425CS..EExtended strand (participates in β ladder)trans-155.7145.9172.500000111.4R232 R238A230-R232 HydrophobicContact CB-CG 4.42Å; A230-R232 PolarHBondContact O-N 2.93Å; A230-R238 PolarHBondContact N-O 3.21Å; A230-R238 WeakPolarHBondContact O-CB 3.42Å; A230-R238 PolarHBondContact O-N 3.18Å
231D94.8Very high93.2Very high80 Ų8076.2 Ų76.243%0.42842%0.416SS..EExtended strand (participates in β ladder)trans-73.1125169.7-71.4-7.9000110.4I235 K236 D237D231-I235 CarbonylContact C-O 3.6Å; D231-I235 WeakPolarHBondContact CA-O 3.4Å; D231-K236 HydrophobicContact CB-CD 4.42Å; D231-K236 VanDerWaalsContact CG-CD 3.42Å; D231-K236 VanDerWaalsContact OD1-CA 3.31Å; D231-K236 WeakPolarHBondContact OD1-CA 3.25Å; D231-K236 WeakPolarHBondContact OD1-CD 3.07Å; D231-K236 WeakPolarHBondContact OD2-CD 3.49Å; D231-K236 WeakPolarHBondContact OD2-CE 3.36Å; D231-K236 IonicContact OD2-NZ 2.67Å; D231-K236 PolarHBondContact OD2-NZ 2.97Å; D231-D237 PolarHBondContact OD1-N 3.24Å
232R91.8Very high93.2Very high114 Ų11471.6 Ų71.643%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-146.7131-176.6-71.9-69.3172.8162.5-8.7112.4L170 A230 G234 I235L170-R232 VanDerWaalsContact CD2-CZ 3.43Å; A230-R232 HydrophobicContact CB-CG 4.42Å; A230-R232 PolarHBondContact O-N 2.93Å; R232-G234 PolarHBondContact O-N 3.49Å; R232-G234 VanDerWaalsContact O-N 3.16Å; R232-I235 PolarHBondContact N-O 3.32Å; R232-I235 WeakPolarHBondContact O-CB 3.37Å; R232-I235 PolarHBondContact O-N 3.45Å
233A92.7Very high93.3Very high103 Ų10370.7 Ų70.785%0.85139%0.393SS*.THydrogen-bonded Turntrans51.238.5174.100000113.6I235A233-I235 VanDerWaalsContact C-N 3.28Å; A233-I235 PolarHBondContact O-N 3.16Å
234G94.6Very high93.4Very high84 Ų8468.6 Ų68.687%0.86638%0.382SS*.THydrogen-bonded Turntrans81.7-2.4-177.600000115.2R232R232-G234 PolarHBondContact O-N 3.49Å; R232-G234 VanDerWaalsContact O-N 3.16Å
235I95.8Very high93.4Very high89 Ų8964.3 Ų64.346%0.45636%0.363SS..EExtended strand (participates in β ladder)trans-90.8118.6173.9-53.6175.6000108.5D231 R232 A233 R238D231-I235 CarbonylContact C-O 3.6Å; D231-I235 WeakPolarHBondContact CA-O 3.4Å; R232-I235 PolarHBondContact N-O 3.32Å; R232-I235 WeakPolarHBondContact O-CB 3.37Å; R232-I235 PolarHBondContact O-N 3.45Å; A233-I235 VanDerWaalsContact C-N 3.28Å; A233-I235 PolarHBondContact O-N 3.16Å; I235-R238 HydrophobicContact CG2-CB 4.15Å
236K95.1Very high93.5Very high148 Ų14865.5 Ų65.564%0.64337%0.368SS*.EExtended strand (participates in β ladder)trans-77.1141.7173.4-66.9-62.3-173.8169.70111D231 R238D231-K236 HydrophobicContact CB-CD 4.42Å; D231-K236 VanDerWaalsContact CG-CD 3.42Å; D231-K236 VanDerWaalsContact OD1-CA 3.31Å; D231-K236 WeakPolarHBondContact OD1-CA 3.25Å; D231-K236 WeakPolarHBondContact OD1-CD 3.07Å; D231-K236 WeakPolarHBondContact OD2-CD 3.49Å; D231-K236 WeakPolarHBondContact OD2-CE 3.36Å; D231-K236 IonicContact OD2-NZ 2.67Å; D231-K236 PolarHBondContact OD2-NZ 2.97Å; K236-R238 VanDerWaalsContact C-N 3.27Å; K236-R238 PolarHBondContact O-N 3.16Å
237D93.4Very high93.6Very high111 Ų11163.4 Ų63.459%0.59436%0.355SS*.EExtended strand (participates in β ladder)trans50.943.2175.3-61.6-52.5000113.8D231 V239D231-D237 PolarHBondContact OD1-N 3.24Å; D237-V239 PolarHBondContact O-N 3.2Å; D237-V239 VanDerWaalsContact O-N 3.14Å
238R95.3Very high93.7Very high107 Ų10757.8 Ų57.840%0.40433%0.329SS..EExtended strand (participates in β ladder)trans-62.9121.5177.5-174.3175.1179.2162.30.1109.4T229 A230 I235 K236 Y240T229-R238 WeakPolarHBondContact CA-O 3.45Å; A230-R238 PolarHBondContact N-O 3.21Å; A230-R238 WeakPolarHBondContact O-CB 3.42Å; A230-R238 PolarHBondContact O-N 3.18Å; I235-R238 HydrophobicContact CG2-CB 4.15Å; K236-R238 VanDerWaalsContact C-N 3.27Å; K236-R238 PolarHBondContact O-N 3.16Å; R238-Y240 HydrophobicContact CB-CE2 4.4Å; R238-Y240 HydrophobicContact CG-CE2 4.15Å
239V93.9Very high93.9Very high74 Ų7458.3 Ų58.345%0.44833%0.331SS..EExtended strand (participates in β ladder)trans-88131.6-176.1-177.80000110.8Q227 T229 D237Q227-V239 HydrophobicContact CB-CG1 4.05Å; Q227-V239 VanDerWaalsContact CD-CG1 3.5Å; Q227-V239 HydrophobicContact CG-CG1 3.89Å; T229-V239 HydrophobicContact CG2-CG2 4.06Å; D237-V239 PolarHBondContact O-N 3.2Å; D237-V239 VanDerWaalsContact O-N 3.14Å
240Y93.4Very high93.8Very high16 Ų1662.2 Ų62.26%0.06335%0.349CS..EExtended strand (participates in β ladder)trans-116.9133167.8-58-91.8000109.1Y167 L170 I171 Q228 R238Y167-Y240 AromaticContact CD2-CD1 3.98Å; Y167-Y240 HydrophobicContact CD2-CD1 3.98Å; Y167-Y240 HydrophobicContact CD2-CE1 4.26Å; Y167-Y240 HydrophobicContact CE2-CD1 4.14Å; L170-Y240 HydrophobicContact CD1-CE1 4.32Å; L170-Y240 WeakPolarHBondContact CD1-OH 3.28Å; I171-Y240 VanDerWaalsContact CD1-CB 3.47Å; I171-Y240 HydrophobicContact CD1-CG 4.38Å; Q228-Y240 PolarHBondContact N-O 3.28Å; Q228-Y240 PolarHBondContact O-N 3.1Å; R238-Y240 HydrophobicContact CB-CE2 4.4Å; R238-Y240 HydrophobicContact CG-CE2 4.15Å
241S91.8Very high93.7Very high42 Ų4263.7 Ų63.729%0.29437%0.367SS..  trans-142.4141.7-176.2-175.90000109.8
242N95.3Very high93.5Very high1 Ų167.1 Ų67.11%0.00538%0.38CS..  trans-116.9150174.1-54.8103000108.6Y167 I171 R178 L225 V258 E260Y167-N242 PolarHBondContact OH-ND2 3.16Å; I171-N242 WeakPolarHBondContact CG1-OD1 3.25Å; R178-N242 PolarHBondContact NH1-OD1 2.86Å; R178-N242 PolarHBondContact NH2-OD1 2.95Å; R178-N242 VanDerWaalsContact NH2-OD1 3.12Å; L225-N242 HydrophobicContact CD1-CB 4.15Å; L225-N242 PolarHBondContact N-O 3.48Å; N242-V258 HydrophobicContact CB-CG1 3.59Å; N242-E260 PolarHBondContact ND2-OE2 3.5Å
243S94.9Very high93.4Very high30 Ų3067.3 Ų67.321%0.2138%0.381CS..EExtended strand (participates in β ladder)trans-104.8143.1-178.7-61.50000110.9Y245 V258 L259S243-Y245 VanDerWaalsContact CB-CE2 3.47Å; S243-V258 WeakPolarHBondContact O-CA 3.42Å; S243-L259 PolarHBondContact O-N 3.37Å
244I94.3Very high93.3Very high0 Ų064.6 Ų64.60%036%0.358CS..EExtended strand (participates in β ladder)trans-102.7134.5177.4-54.9169.4000107.7Y182 L190 L222 D223 L225 T256 C257Y182-I244 HydrophobicContact CD1-CD1 3.76Å; Y182-I244 HydrophobicContact CD2-CD1 3.8Å; Y182-I244 HydrophobicContact CE1-CD1 3.53Å; Y182-I244 HydrophobicContact CE2-CD1 3.58Å; Y182-I244 HydrophobicContact CG-CD1 3.9Å; Y182-I244 VanDerWaalsContact CZ-CD1 3.45Å; L190-I244 HydrophobicContact CD1-CD1 4.09Å; L190-I244 HydrophobicContact CD2-CG2 4.11Å; L222-I244 HydrophobicContact CB-CG2 4.32Å; L222-I244 WeakPolarHBondContact CB-O 3.4Å; L222-I244 HydrophobicContact CD2-CG2 3.99Å; L222-I244 PolarHBondContact N-O 3.11Å; D223-I244 PolarHBondContact N-O 2.95Å; D223-I244 WeakPolarHBondContact O-CB 3.35Å; D223-I244 PolarHBondContact O-N 3.42Å; L225-I244 HydrophobicContact CD2-CD1 3.84Å; L225-I244 HydrophobicContact CD2-CG1 4.33Å; L225-I244 HydrophobicContact CG-CD1 3.98Å; L225-I244 HydrophobicContact CG-CG1 3.98Å; I244-T256 HydrophobicContact CG2-CG2 3.6Å; I244-C257 WeakPolarHBondContact CA-O 3.47Å
245Y94.8Very high93.1Very high24 Ų2461.2 Ų61.29%0.09432%0.323CS..EExtended strand (participates in β ladder)trans-123.8143.9179-66-93.3000110.7L212 I219 R220 F221 S243 T256 C257 L259L212-Y245 HydrophobicContact CB-CD1 4.42Å; L212-Y245 HydrophobicContact CB-CE1 3.82Å; L212-Y245 HydrophobicContact CD1-CD1 4.49Å; L212-Y245 HydrophobicContact CD1-CD2 4.17Å; L212-Y245 HydrophobicContact CD1-CE1 3.97Å; L212-Y245 HydrophobicContact CD1-CE2 3.56Å; L212-Y245 VanDerWaalsContact CD1-CZ 3.46Å; I219-Y245 HydrophobicContact CG2-CD1 3.62Å; I219-Y245 HydrophobicContact CG2-CE1 4.4Å; I219-Y245 HydrophobicContact CG2-CG 3.96Å; R220-Y245 CarbonylContact O-C 3.55Å; R220-Y245 VanDerWaalsContact O-CA 3.26Å; R220-Y245 WeakPolarHBondContact O-CA 3.48Å; F221-Y245 HydrophobicContact CB-CD1 4.24Å; F221-Y245 HydrophobicContact CB-CE1 3.91Å; F221-Y245 HydrophobicContact CD2-CE1 4.27Å; S243-Y245 VanDerWaalsContact CB-CE2 3.47Å; Y245-T256 WeakPolarHBondContact O-CA 3.13Å; Y245-T256 WeakPolarHBondContact O-CG2 3.34Å; Y245-C257 PolarHBondContact N-O 2.9Å; Y245-C257 PolarHBondContact O-N 3.37Å; Y245-L259 HydrophobicContact CD2-CB 3.74Å; Y245-L259 HydrophobicContact CE2-CB 4.29Å; Y245-L259 WeakPolarHBondContact CE2-O 3.13Å
246E93.1Very high92.9Very high28 Ų2857.5 Ų57.513%0.13131%0.305CS..EExtended strand (participates in β ladder)trans-91.4142.1161.366.9173.2-175.700109.8R220 R253R220-E246 HydrophobicContact CB-CG 3.65Å; R220-E246 WeakPolarHBondContact CD-OE1 3.44Å; R220-E246 PolarHBondContact N-O 3.06Å; R220-E246 PolarHBondContact O-N 3.47Å; E246-R253 HydrophobicContact CB-CG 4.27Å; E246-R253 IonicContact OE2-CZ 3.49Å; E246-R253 IonicContact OE2-NE 2.91Å; E246-R253 PolarHBondContact OE2-NE 3.29Å; E246-R253 IonicContact OE2-NH2 2.84Å; E246-R253 PolarHBondContact OE2-NH2 3Å
247L94.6Very high92.8Very high0 Ų050.5 Ų50.50%027%0.274CS..EExtended strand (participates in β ladder)trans-111.5128.9178-57.6173.8000108.7N218 I219 A254 G255 V329 L330 L333N218-L247 WeakPolarHBondContact O-CA 3.29Å; I219-L247 HydrophobicContact CB-CD2 4.35Å; I219-L247 HydrophobicContact CD1-CD2 4.5Å; I219-L247 HydrophobicContact CG1-CD2 3.82Å; I219-L247 HydrophobicContact CG2-CD2 4.16Å; L247-A254 PolarHBondContact O-N 3.27Å; L247-G255 PolarHBondContact N-O 3.12Å; L247-G255 PolarHBondContact O-N 3.46Å; L247-V329 HydrophobicContact CD1-CB 4.12Å; L247-V329 HydrophobicContact CD1-CG1 3.55Å; L247-V329 HydrophobicContact CD2-CG1 4.48Å; L247-L330 HydrophobicContact CB-CD1 4.39Å; L247-L330 HydrophobicContact CB-CD2 3.9Å; L247-L330 HydrophobicContact CB-CG 4.03Å; L247-L330 HydrophobicContact CD1-CD2 3.88Å; L247-L330 HydrophobicContact CD1-CG 3.97Å; L247-L333 HydrophobicContact CD1-CD2 4.1Å
248L94.6Very high92.9Very high6 Ų645.2 Ų45.23%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-103.3141.2-178.4-55-176.6000112.2N218 R220 Q252 R253N218-L248 HydrophobicContact CB-CB 4.09Å; N218-L248 PolarHBondContact O-N 3.34Å; R220-L248 HydrophobicContact CG-CD1 4.45Å; L248-Q252 CarbonylContact C-O 3.53Å; L248-Q252 VanDerWaalsContact CA-O 3.26Å; L248-Q252 WeakPolarHBondContact CA-O 3.44Å; L248-R253 HydrophobicContact CD2-CB 4.32Å
249E93.4Very high92.9Very high60 Ų6040.2 Ų40.228%0.2823%0.227SC..EExtended strand (participates in β ladder)trans-130.7123.7167.9-171.6169.9-105.200107.6G251 Q252 A254 Q327 L330 R334E249-G251 PolarHBondContact O-N 3.19Å; E249-G251 VanDerWaalsContact O-N 3.15Å; E249-Q252 PolarHBondContact N-O 3.06Å; E249-Q252 PolarHBondContact O-N 2.94Å; E249-A254 HydrophobicContact CB-CB 3.68Å; E249-Q327 PolarHBondContact OE1-NE2 3.44Å; E249-Q327 VanDerWaalsContact OE1-NE2 3.08Å; E249-Q327 PolarHBondContact OE1-OE1 3.17Å; E249-L330 HydrophobicContact CB-CD1 4.35Å; E249-R334 IonicContact OE1-CZ 3.14Å; E249-R334 IonicContact OE1-NH1 3.87Å; E249-R334 PolarHBondContact OE1-NH1 2.95Å; E249-R334 IonicContact OE1-NH2 2.8Å; E249-R334 PolarHBondContact OE1-NH2 3.45Å; E249-R334 IonicContact OE2-CZ 2.67Å; E249-R334 IonicContact OE2-NH2 3.68Å; E249-R334 PolarHBondContact OE2-NH2 2.93Å
250N90.8Very high93.1Very high161 Ų16137.9 Ų37.986%0.86121%0.212SC*.THydrogen-bonded Turntrans5334.2-174.9-55-43000113.8Q252N250-Q252 PolarHBondContact O-N 3.15Å
251G88.8Confident93.3Very high59 Ų5938.3 Ų38.361%0.60821%0.214SC*.THydrogen-bonded Turntrans77.30.2-17900000115.3E249E249-G251 PolarHBondContact O-N 3.19Å; E249-G251 VanDerWaalsContact O-N 3.15Å
252Q91.3Very high93.5Very high153 Ų15336.3 Ų36.372%0.71520%0.2SC*.EExtended strand (participates in β ladder)trans-106.3149.6174.5-63.5-164.9-1100111.2L248 E249 N250 A254L248-Q252 CarbonylContact C-O 3.53Å; L248-Q252 VanDerWaalsContact CA-O 3.26Å; L248-Q252 WeakPolarHBondContact CA-O 3.44Å; E249-Q252 PolarHBondContact N-O 3.06Å; E249-Q252 PolarHBondContact O-N 2.94Å; N250-Q252 PolarHBondContact O-N 3.15Å; Q252-A254 PolarHBondContact O-N 3.3Å
253R90.3Very high93.6Very high118 Ų11840.2 Ų40.245%0.44522%0.223SC..EExtended strand (participates in β ladder)trans-66.9117.3177.3-174.3-176.7-65.6170.7-3.4110.1L189 E246 L248L189-R253 VanDerWaalsContact CD2-NH1 3.25Å; E246-R253 HydrophobicContact CB-CG 4.27Å; E246-R253 IonicContact OE2-CZ 3.49Å; E246-R253 IonicContact OE2-NE 2.91Å; E246-R253 PolarHBondContact OE2-NE 3.29Å; E246-R253 IonicContact OE2-NH2 2.84Å; E246-R253 PolarHBondContact OE2-NH2 3Å; L248-R253 HydrophobicContact CD2-CB 4.32Å
254A90.9Very high93.8Very high45 Ų4539.3 Ų39.337%0.37222%0.217SC..EExtended strand (participates in β ladder)trans-102.9-21.1178.500000113L247 E249 Q252 L330L247-A254 PolarHBondContact O-N 3.27Å; E249-A254 HydrophobicContact CB-CB 3.68Å; Q252-A254 PolarHBondContact O-N 3.3Å; A254-L330 HydrophobicContact CB-CD1 3.84Å; A254-L330 HydrophobicContact CB-CD2 3.75Å; A254-L330 HydrophobicContact CB-CG 4.48Å
255G89.3Confident93.9Very high13 Ų1339.3 Ų39.313%0.13422%0.217CC..EExtended strand (participates in β ladder)trans-166.5166.2177.300000113.3L247L247-G255 PolarHBondContact N-O 3.12Å; L247-G255 PolarHBondContact O-N 3.46Å
256T91.3Very high94Very high12 Ų1242.2 Ų42.27%0.07423%0.231CC..EExtended strand (participates in β ladder)trans-134.2131.4173.1-44.80000108.1L189 L190 S195 L222 I244 Y245L189-T256 PolarHBondContact O-OG1 3.07Å; L190-T256 HydrophobicContact CD2-CG2 3.58Å; L190-T256 HydrophobicContact CG-CG2 4.32Å; S195-T256 PolarHBondContact OG-O 3.46Å; L222-T256 HydrophobicContact CD2-CG2 3.8Å; I244-T256 HydrophobicContact CG2-CG2 3.6Å; Y245-T256 WeakPolarHBondContact O-CA 3.13Å; Y245-T256 WeakPolarHBondContact O-CG2 3.34Å
257C93.1Very high94.1Very high0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-148.7162.617964.40000113.3Y199 I244 Y245 L333Y199-C257 HydrophobicContact CD2-CB 3.72Å; Y199-C257 HydrophobicContact CE2-CB 3.89Å; I244-C257 WeakPolarHBondContact CA-O 3.47Å; Y245-C257 PolarHBondContact N-O 2.9Å; Y245-C257 PolarHBondContact O-N 3.37Å; C257-L333 HydrophobicContact CB-CD1 4.28Å; C257-L333 HydrophobicContact CB-CD2 4.21Å
258V95.4Very high94.1Very high0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-87.6117167.5-1710000107.5I179 L198 Y199 L225 N242 S243I179-V258 HydrophobicContact CD1-CG2 4.05Å; I179-V258 HydrophobicContact CG1-CG2 4.37Å; L198-V258 HydrophobicContact CD1-CB 4.34Å; L198-V258 HydrophobicContact CD1-CG1 3.6Å; Y199-V258 PolarHBondContact N-O 2.98Å; L225-V258 HydrophobicContact CD1-CB 4.47Å; L225-V258 HydrophobicContact CD1-CG1 3.94Å; L225-V258 HydrophobicContact CD1-CG2 3.62Å; L225-V258 HydrophobicContact CG-CG2 4.35Å; N242-V258 HydrophobicContact CB-CG1 3.59Å; S243-V258 WeakPolarHBondContact O-CA 3.42Å
259L95.9Very high94.1Very high2 Ų247.3 Ų47.31%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-134.2137-168.8-167.966.6000111Y199 L201 L212 I219 S243 Y245 V329Y199-L259 WeakPolarHBondContact O-CA 3.33Å; L201-L259 HydrophobicContact CD1-CD1 4.12Å; L201-L259 HydrophobicContact CD1-CD2 4.16Å; L201-L259 HydrophobicContact CD1-CG 4.05Å; L201-L259 HydrophobicContact CD2-CD1 3.87Å; L201-L259 HydrophobicContact CG-CD1 3.78Å; L201-L259 HydrophobicContact CG-CG 4.23Å; L212-L259 HydrophobicContact CD1-CB 4.44Å; L212-L259 HydrophobicContact CD1-CD2 4.02Å; L212-L259 HydrophobicContact CD1-CG 4.1Å; L212-L259 HydrophobicContact CD2-CD2 4.47Å; I219-L259 HydrophobicContact CG2-CD2 4.28Å; S243-L259 PolarHBondContact O-N 3.37Å; Y245-L259 HydrophobicContact CD2-CB 3.74Å; Y245-L259 HydrophobicContact CE2-CB 4.29Å; Y245-L259 WeakPolarHBondContact CE2-O 3.13Å; L259-V329 HydrophobicContact CD1-CG1 4.27Å; L259-V329 HydrophobicContact CD1-CG2 4.22Å; L259-V329 HydrophobicContact CD2-CG2 4.32Å
260E97.1Very high94.1Very high26 Ų2647.2 Ų47.212%0.12127%0.268CS..EExtended strand (participates in β ladder)trans-153.8162.4175.464.5-175.8-153.700112.1Y163 Y167 L198 Y199 I200 L201 N242Y163-E260 PolarHBondContact OH-OE1 3.07Å; Y167-E260 WeakPolarHBondContact CE1-OE1 3.31Å; Y167-E260 PolarHBondContact OH-OE1 3.25Å; Y167-E260 PolarHBondContact OH-OE2 3.32Å; L198-E260 HydrophobicContact CD1-CG 3.91Å; L198-E260 WeakPolarHBondContact CD2-OE1 3.39Å; L198-E260 HydrophobicContact CG-CG 4.45Å; Y199-E260 PolarHBondContact O-N 3.45Å; I200-E260 CarbonylContact C-O 3.57Å; I200-E260 WeakPolarHBondContact CA-O 3.27Å; I200-E260 HydrophobicContact CG1-CG 4.44Å; L201-E260 PolarHBondContact N-O 3.01Å; N242-E260 PolarHBondContact ND2-OE2 3.5Å
261Y97.6Very high94.2Very high25 Ų2542 Ų4210%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-87.5147.6170-76.4-77.5000111.8L201 P203 V208 P209 L212 T263 Y314L201-Y261 HydrophobicContact CB-CD1 3.61Å; L201-Y261 HydrophobicContact CB-CE1 3.87Å; L201-Y261 HydrophobicContact CB-CG 4.31Å; L201-Y261 HydrophobicContact CD1-CD1 4.17Å; L201-Y261 HydrophobicContact CD1-CE1 3.87Å; L201-Y261 HydrophobicContact CD1-CE2 4.39Å; P203-Y261 HydrophobicContact CG-CD1 4.06Å; P203-Y261 HydrophobicContact CG-CE1 4Å; V208-Y261 HydrophobicContact CG1-CD1 4.19Å; V208-Y261 HydrophobicContact CG1-CD2 3.98Å; V208-Y261 HydrophobicContact CG1-CG 3.68Å; V208-Y261 HydrophobicContact CG2-CD1 4.43Å; P209-Y261 HydrophobicContact CG-CE2 3.92Å; P209-Y261 WeakPolarHBondContact CG-OH 3.39Å; L212-Y261 HydrophobicContact CD2-CD2 4.08Å; L212-Y261 HydrophobicContact CD2-CE2 3.26Å; L212-Y261 HydrophobicContact CG-CD2 4.3Å; L212-Y261 HydrophobicContact CG-CE2 3.76Å; Y261-T263 PolarHBondContact O-N 3.46Å; Y261-Y314 WeakPolarHBondContact CE1-OH 3.48Å
262A97.8Very high94.3Very high0 Ų040.2 Ų40.20%022%0.217CC..  trans-67.8102.7166.300000110.5I200 L201 L202 P264 L265 F291I200-A262 HydrophobicContact CG2-CB 3.86Å; L201-A262 PolarHBondContact O-N 3.35Å; L202-A262 HydrophobicContact CD2-CB 4.38Å; L202-A262 HydrophobicContact CG-CB 4.14Å; A262-P264 VanDerWaalsContact C-N 3.31Å; A262-P264 VanDerWaalsContact O-N 3.17Å; A262-L265 HydrophobicContact CB-CD1 4.11Å; A262-L265 HydrophobicContact CB-CG 4.26Å; A262-L265 WeakPolarHBondContact O-CB 3.35Å; A262-L265 PolarHBondContact O-N 3.23Å; A262-L265 VanDerWaalsContact O-N 3.12Å; A262-F291 HydrophobicContact CB-CE1 4.01Å; A262-F291 HydrophobicContact CB-CZ 4.19Å
263T96.9Very high94.3Very high82 Ų8239 Ų3950%0.50321%0.211SC..Hα-helixtrans-50.4-38.9-178.3-400000114.7Y261 L265 Q266Y261-T263 PolarHBondContact O-N 3.46Å; T263-L265 PolarHBondContact O-N 2.98Å; T263-L265 VanDerWaalsContact O-N 3.1Å; T263-Q266 WeakPolarHBondContact O-CB 3.33Å; T263-Q266 PolarHBondContact O-N 2.73Å
264P97.9Very high94.3Very high11 Ų1140 Ų407%0.07122%0.216CC..Hα-helixtrans-61-21.5-178.8-23.733.2000115.2L159 Y163 A262 Q266 T267 L268 F291L159-P264 HydrophobicContact CB-CB 3.96Å; L159-P264 HydrophobicContact CD1-CB 4.19Å; L159-P264 HydrophobicContact CD2-CB 4.24Å; L159-P264 HydrophobicContact CG-CB 4.35Å; Y163-P264 HydrophobicContact CD2-CG 3.8Å; Y163-P264 HydrophobicContact CG-CG 3.82Å; A262-P264 VanDerWaalsContact C-N 3.31Å; A262-P264 VanDerWaalsContact O-N 3.17Å; P264-Q266 VanDerWaalsContact C-N 3.3Å; P264-Q266 PolarHBondContact O-N 3.42Å; P264-T267 VanDerWaalsContact O-CB 3.31Å; P264-T267 WeakPolarHBondContact O-CB 3.21Å; P264-T267 PolarHBondContact O-N 3.33Å; P264-L268 PolarHBondContact O-N 3.47Å; P264-L268 VanDerWaalsContact O-N 3.16Å; P264-F291 HydrophobicContact CB-CE2 3.87Å; P264-F291 HydrophobicContact CB-CZ 4.07Å; P264-F291 HydrophobicContact CG-CE2 3.87Å; P264-F291 HydrophobicContact CG-CZ 3.93Å
265L97.3Very high93.8Very high0 Ų041.2 Ų41.20%023%0.234CC..Hα-helixtrans-66.2-34.9175.8-64.1177.6000111.5L202 P203 C206 V208 A262 T263 T267 L268 F269 A288 F291L202-L265 HydrophobicContact CB-CD1 4.08Å; P203-L265 HydrophobicContact CG-CD1 4.17Å; C206-L265 HydrophobicContact CB-CB 4.32Å; C206-L265 WeakPolarHBondContact CB-O 3.37Å; V208-L265 HydrophobicContact CG2-CB 3.9Å; A262-L265 HydrophobicContact CB-CD1 4.11Å; A262-L265 HydrophobicContact CB-CG 4.26Å; A262-L265 WeakPolarHBondContact O-CB 3.35Å; A262-L265 PolarHBondContact O-N 3.23Å; A262-L265 VanDerWaalsContact O-N 3.12Å; T263-L265 PolarHBondContact O-N 2.98Å; T263-L265 VanDerWaalsContact O-N 3.1Å; L265-T267 VanDerWaalsContact C-N 3.26Å; L265-T267 PolarHBondContact O-N 2.93Å; L265-L268 HydrophobicContact CD2-CD1 4.17Å; L265-L268 PolarHBondContact O-N 3.23Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L265-F269 PolarHBondContact O-N 2.77Å; L265-A288 HydrophobicContact CD2-CB 4.18Å; L265-F291 HydrophobicContact CD2-CD1 3.76Å; L265-F291 HydrophobicContact CD2-CE1 4.08Å; L265-F291 HydrophobicContact CG-CD1 4.37Å; L265-F291 HydrophobicContact CG-CE1 4.18Å
266Q96.3Very high93.5Very high86 Ų8648.4 Ų48.440%0.40226%0.263SS..Hα-helixtrans-62.4-36173.5-166.4176.725.100111.4V208 T263 P264 F269 A270V208-Q266 HydrophobicContact CB-CB 4.2Å; V208-Q266 HydrophobicContact CG2-CB 4.41Å; T263-Q266 WeakPolarHBondContact O-CB 3.33Å; T263-Q266 PolarHBondContact O-N 2.73Å; P264-Q266 VanDerWaalsContact C-N 3.3Å; P264-Q266 PolarHBondContact O-N 3.42Å; Q266-F269 PolarHBondContact O-N 2.92Å; Q266-A270 WeakPolarHBondContact O-CB 3.46Å; Q266-A270 PolarHBondContact O-N 3.31Å
267T95.8Very high93.1Very high66 Ų6649.4 Ų49.441%0.40527%0.273SS..Hα-helixtrans-62.8-46.2173.2-53.90000111.2L159 P264 L265 F269 A270 M271L159-T267 HydrophobicContact CD2-CG2 4.41Å; P264-T267 VanDerWaalsContact O-CB 3.31Å; P264-T267 WeakPolarHBondContact O-CB 3.21Å; P264-T267 PolarHBondContact O-N 3.33Å; L265-T267 VanDerWaalsContact C-N 3.26Å; L265-T267 PolarHBondContact O-N 2.93Å; T267-F269 VanDerWaalsContact C-N 3.3Å; T267-F269 PolarHBondContact O-N 3.41Å; T267-A270 PolarHBondContact O-N 3.42Å; T267-M271 HydrophobicContact CG2-SD 4.22Å; T267-M271 WeakPolarHBondContact O-CB 3.41Å; T267-M271 VanDerWaalsContact O-CG 3.27Å; T267-M271 WeakPolarHBondContact O-CG 3.4Å; T267-M271 PolarHBondContact O-N 3.45Å
268L95Very high92.6Very high0 Ų052.3 Ų52.30%030%0.303CS..Hα-helixtrans-61.5-39.3176-68.3-179.3000111.9V155 L159 P264 L265 S272 F279 R284 Q287 A288V155-L268 HydrophobicContact CG1-CD2 3.76Å; L159-L268 HydrophobicContact CD1-CD1 4.44Å; L159-L268 HydrophobicContact CD1-CD2 3.63Å; L159-L268 HydrophobicContact CD1-CG 3.76Å; P264-L268 PolarHBondContact O-N 3.47Å; P264-L268 VanDerWaalsContact O-N 3.16Å; L265-L268 HydrophobicContact CD2-CD1 4.17Å; L265-L268 PolarHBondContact O-N 3.23Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L268-S272 PolarHBondContact O-N 2.87Å; L268-S272 VanDerWaalsContact O-N 3.13Å; L268-F279 HydrophobicContact CB-CE1 4.49Å; L268-F279 HydrophobicContact CD2-CE1 4.2Å; L268-F279 HydrophobicContact CD2-CZ 3.99Å; L268-R284 HydrophobicContact CB-CG 4.26Å; L268-Q287 HydrophobicContact CD1-CB 4.25Å; L268-Q287 HydrophobicContact CD2-CB 4.14Å; L268-A288 HydrophobicContact CD1-CB 4.25Å
269F94.6Very high92.2Very high75 Ų7553.1 Ų53.133%0.32931%0.307SS..Hα-helixtrans-61.5-51.5174.3-171.8-93.3000111.3C206 L265 Q266 T267 M271 S272 Q273C206-F269 HydrophobicContact CB-CB 3.9Å; C206-F269 HydrophobicContact CB-CD2 4.36Å; C206-F269 WeakPolarHBondContact O-CB 3.24Å; L265-F269 PolarHBondContact O-N 2.77Å; Q266-F269 PolarHBondContact O-N 2.92Å; T267-F269 VanDerWaalsContact C-N 3.3Å; T267-F269 PolarHBondContact O-N 3.41Å; F269-M271 VanDerWaalsContact C-N 3.33Å; F269-M271 PolarHBondContact O-N 3.12Å; F269-S272 PolarHBondContact O-N 3.41Å; F269-S272 PolarHBondContact O-OG 3.36Å; F269-Q273 HydrophobicContact CD1-CG 4.14Å; F269-Q273 HydrophobicContact CE1-CG 3.85Å; F269-Q273 HydrophobicContact CZ-CG 4.35Å; F269-Q273 WeakPolarHBondContact O-CG 3.36Å; F269-Q273 PolarHBondContact O-N 2.89Å
270A93.8Very high91.8Very high57 Ų5755 Ų5547%0.47132%0.32SS..Hα-helixtrans-59.7-41.2178.700000112.5Q266 T267 S272 Q273 Y274Q266-A270 WeakPolarHBondContact O-CB 3.46Å; Q266-A270 PolarHBondContact O-N 3.31Å; T267-A270 PolarHBondContact O-N 3.42Å; A270-S272 VanDerWaalsContact C-N 3.25Å; A270-S272 PolarHBondContact O-N 3.01Å; A270-Q273 PolarHBondContact O-N 3.41Å; A270-Q273 VanDerWaalsContact O-N 3.15Å; A270-Y274 PolarHBondContact O-N 3.25Å; A270-Y274 VanDerWaalsContact O-N 3.07Å
271M92.3Very high91.5Very high52 Ų5260.3 Ų60.326%0.25634%0.339SS..Hα-helixtrans-58.1-38.6174.2-73.6175.865.400111.9V155 T267 F269 Q273 Y274 F279V155-M271 HydrophobicContact CG1-CE 4.07Å; V155-M271 HydrophobicContact CG1-SD 4.02Å; V155-M271 HydrophobicContact CG2-CE 4.04Å; T267-M271 HydrophobicContact CG2-SD 4.22Å; T267-M271 WeakPolarHBondContact O-CB 3.41Å; T267-M271 VanDerWaalsContact O-CG 3.27Å; T267-M271 WeakPolarHBondContact O-CG 3.4Å; T267-M271 PolarHBondContact O-N 3.45Å; F269-M271 VanDerWaalsContact C-N 3.33Å; F269-M271 PolarHBondContact O-N 3.12Å; M271-Q273 VanDerWaalsContact C-N 3.32Å; M271-Q273 PolarHBondContact O-N 2.91Å; M271-Y274 PolarHBondContact O-N 3.41Å; M271-F279 HydrophobicContact CB-CD1 3.78Å; M271-F279 HydrophobicContact CB-CE1 4.29Å; M271-F279 HydrophobicContact CB-CG 4.32Å
272S91.3Very high91Very high22 Ų2265.4 Ų65.415%0.15436%0.363CS..Hα-helixtrans-72.5-25.1179730000114L268 F269 A270 F279 R284L268-S272 PolarHBondContact O-N 2.87Å; L268-S272 VanDerWaalsContact O-N 3.13Å; F269-S272 PolarHBondContact O-N 3.41Å; F269-S272 PolarHBondContact O-OG 3.36Å; A270-S272 VanDerWaalsContact C-N 3.25Å; A270-S272 PolarHBondContact O-N 3.01Å; S272-F279 WeakPolarHBondContact CA-O 3.44Å; S272-R284 WeakPolarHBondContact OG-CD 3.37Å; S272-R284 PolarHBondContact OG-NH1 2.93Å
273Q90.8Very high90.6Very high126 Ų12667.9 Ų67.959%0.58938%0.377SS*.Hα-helixtrans-82.9-18.6174.5-57.9-57.6-23.900111.9F269 A270 M271 G275F269-Q273 HydrophobicContact CD1-CG 4.14Å; F269-Q273 HydrophobicContact CE1-CG 3.85Å; F269-Q273 HydrophobicContact CZ-CG 4.35Å; F269-Q273 WeakPolarHBondContact O-CG 3.36Å; F269-Q273 PolarHBondContact O-N 2.89Å; A270-Q273 PolarHBondContact O-N 3.41Å; A270-Q273 VanDerWaalsContact O-N 3.15Å; M271-Q273 VanDerWaalsContact C-N 3.32Å; M271-Q273 PolarHBondContact O-N 2.91Å; Q273-G275 PolarHBondContact O-N 2.84Å
274Y89.6Confident90.4Very high139 Ų13964.7 Ų64.755%0.54536%0.356SS..  trans-87.392-179.6-163-104.5000110.6A270 M271 Q276 A277A270-Y274 PolarHBondContact O-N 3.25Å; A270-Y274 VanDerWaalsContact O-N 3.07Å; M271-Y274 PolarHBondContact O-N 3.41Å; Y274-Q276 HydrophobicContact CD1-CB 4.04Å; Y274-Q276 HydrophobicContact CE1-CB 3.63Å; Y274-Q276 HydrophobicContact CE1-CG 4.3Å; Y274-Q276 PolarHBondContact O-N 3.26Å; Y274-Q276 PolarHBondContact OH-OE1 3.49Å; Y274-A277 HydrophobicContact CD1-CB 4.17Å; Y274-A277 VanDerWaalsContact O-CB 3.25Å; Y274-A277 WeakPolarHBondContact O-CB 3.5Å; Y274-A277 PolarHBondContact O-N 3.29Å
275G81Confident90.1Very high72 Ų7266 Ų6674%0.74236%0.362SS*.G310 helixtrans-53.5-28.8-171.600000115.9Q273 A277 G278Q273-G275 PolarHBondContact O-N 2.84Å; G275-A277 VanDerWaalsContact C-N 3.29Å; G275-A277 PolarHBondContact O-N 3.02Å; G275-G278 PolarHBondContact O-N 3.41Å
276Q83.6Confident89.8Confident163 Ų16371.3 Ų71.376%0.76239%0.386SS*.G310 helixtrans-72.7-18.9176.7-63.2174.2-7.600113.7Y274 G278Y274-Q276 HydrophobicContact CD1-CB 4.04Å; Y274-Q276 HydrophobicContact CE1-CB 3.63Å; Y274-Q276 HydrophobicContact CE1-CG 4.3Å; Y274-Q276 PolarHBondContact O-N 3.26Å; Y274-Q276 PolarHBondContact OH-OE1 3.49Å; Q276-G278 PolarHBondContact O-N 2.85Å
277A82.8Confident89.6Confident33 Ų3367.5 Ų67.527%0.27337%0.369SS..G310 helixtrans-70-18.2175.400000112.2Y274 G275 F279Y274-A277 HydrophobicContact CD1-CB 4.17Å; Y274-A277 VanDerWaalsContact O-CB 3.25Å; Y274-A277 WeakPolarHBondContact O-CB 3.5Å; Y274-A277 PolarHBondContact O-N 3.29Å; G275-A277 VanDerWaalsContact C-N 3.29Å; G275-A277 PolarHBondContact O-N 3.02Å; A277-F279 HydrophobicContact CB-CB 4.2Å; A277-F279 PolarHBondContact O-N 3.5Å
278G81.4Confident89.5Confident61 Ų6164.3 Ų64.363%0.62935%0.349SS*.  trans60.930.8-177.300000112.8G275 Q276G275-G278 PolarHBondContact O-N 3.41Å; Q276-G278 PolarHBondContact O-N 2.85Å
279F86.7Confident89.5Confident18 Ų1868.2 Ų68.28%0.07937%0.366CS..  trans-105.6102.3-173.4-166.5-114.7000109.8L268 M271 S272 A277 D283 R284 Q287L268-F279 HydrophobicContact CB-CE1 4.49Å; L268-F279 HydrophobicContact CD2-CE1 4.2Å; L268-F279 HydrophobicContact CD2-CZ 3.99Å; M271-F279 HydrophobicContact CB-CD1 3.78Å; M271-F279 HydrophobicContact CB-CE1 4.29Å; M271-F279 HydrophobicContact CB-CG 4.32Å; S272-F279 WeakPolarHBondContact CA-O 3.44Å; A277-F279 HydrophobicContact CB-CB 4.2Å; A277-F279 PolarHBondContact O-N 3.5Å; F279-D283 HydrophobicContact CD2-CB 3.76Å; F279-D283 HydrophobicContact CE2-CB 3.68Å; F279-D283 HydrophobicContact CG-CB 4.43Å; F279-D283 HydrophobicContact CZ-CB 4.3Å; F279-R284 HydrophobicContact CD1-CB 4.28Å; F279-R284 VanDerWaalsContact CE1-CA 3.46Å; F279-R284 HydrophobicContact CE1-CB 3.64Å; F279-R284 HydrophobicContact CE1-CG 4.07Å; F279-R284 HydrophobicContact CZ-CB 4.23Å; F279-Q287 HydrophobicContact CE2-CB 4.43Å; F279-Q287 HydrophobicContact CE2-CG 3.69Å; F279-Q287 HydrophobicContact CZ-CB 3.92Å; F279-Q287 HydrophobicContact CZ-CG 3.7Å
280S88.8Confident89.5Confident42 Ų4266 Ų6629%0.29436%0.358SS..  trans-74.8171-175.168.50000112.8E282 D283 R284S280-E282 PolarHBondContact O-N 3.31Å; S280-D283 WeakPolarHBondContact CB-OD2 3.39Å; S280-D283 PolarHBondContact N-OD2 3.23Å; S280-D283 PolarHBondContact O-N 2.92Å; S280-D283 PolarHBondContact OG-N 3.2Å; S280-D283 PolarHBondContact OG-OD2 3.21Å; S280-R284 WeakPolarHBondContact O-CB 3.35Å; S280-R284 PolarHBondContact O-N 3.49Å
281R89.7Confident89.6Confident137 Ų13763.3 Ų63.352%0.51734%0.335SS..Hα-helixtrans-64.4-34.6172.6-174.5179.9-179.9177.82.8110.8R284 L285 E316R281-R284 PolarHBondContact O-N 2.9Å; R281-L285 PolarHBondContact O-N 2.98Å; R281-E316 IonicContact CZ-OE2 3.02Å; R281-E316 VanDerWaalsContact NH2-CD 3.28Å; R281-E316 IonicContact NH2-OE1 3.65Å; R281-E316 PolarHBondContact NH2-OE1 2.96Å; R281-E316 IonicContact NH2-OE2 3.53Å; R281-E316 PolarHBondContact NH2-OE2 2.89Å
282E88.3Confident89.8Confident131 Ų13161.4 Ų61.461%0.61233%0.327SS*.Hα-helixtrans-65.3-48.5175.2-66.869.1-153.700110.9S280 R284 L285 E286S280-E282 PolarHBondContact O-N 3.31Å; E282-R284 VanDerWaalsContact C-N 3.29Å; E282-R284 PolarHBondContact O-N 3.24Å; E282-L285 PolarHBondContact O-N 3Å; E282-E286 PolarHBondContact O-N 2.89Å
283D88.6Confident90Very high52 Ų5266.6 Ų66.628%0.27834%0.343SS..Hα-helixtrans-60.7-40.8176-58.4-43.7000110.9F279 S280 L285 E286 Q287F279-D283 HydrophobicContact CD2-CB 3.76Å; F279-D283 HydrophobicContact CE2-CB 3.68Å; F279-D283 HydrophobicContact CG-CB 4.43Å; F279-D283 HydrophobicContact CZ-CB 4.3Å; S280-D283 WeakPolarHBondContact CB-OD2 3.39Å; S280-D283 PolarHBondContact N-OD2 3.23Å; S280-D283 PolarHBondContact O-N 2.92Å; S280-D283 PolarHBondContact OG-N 3.2Å; S280-D283 PolarHBondContact OG-OD2 3.21Å; D283-L285 PolarHBondContact O-N 3.36Å; D283-E286 PolarHBondContact O-N 3.03Å; D283-Q287 WeakPolarHBondContact O-CB 3.35Å; D283-Q287 VanDerWaalsContact O-CG 3.31Å; D283-Q287 WeakPolarHBondContact O-CG 3.31Å; D283-Q287 PolarHBondContact O-N 3.02Å
284R92.2Very high90.2Very high16 Ų1660.9 Ų60.96%0.0632%0.317CS..Hα-helixtrans-56.8-50.7175.2-176.1-18078.1-155.910.7111.9D205 C206 L268 S272 F279 S280 R281 E282 E286 Q287 A288D205-R284 PolarHBondContact O-NE 3.32Å; D205-R284 PolarHBondContact O-NH2 3.22Å; C206-R284 HydrophobicContact CB-CG 4.29Å; L268-R284 HydrophobicContact CB-CG 4.26Å; S272-R284 WeakPolarHBondContact OG-CD 3.37Å; S272-R284 PolarHBondContact OG-NH1 2.93Å; F279-R284 HydrophobicContact CD1-CB 4.28Å; F279-R284 VanDerWaalsContact CE1-CA 3.46Å; F279-R284 HydrophobicContact CE1-CB 3.64Å; F279-R284 HydrophobicContact CE1-CG 4.07Å; F279-R284 HydrophobicContact CZ-CB 4.23Å; S280-R284 WeakPolarHBondContact O-CB 3.35Å; S280-R284 PolarHBondContact O-N 3.49Å; R281-R284 PolarHBondContact O-N 2.9Å; E282-R284 VanDerWaalsContact C-N 3.29Å; E282-R284 PolarHBondContact O-N 3.24Å; R284-E286 VanDerWaalsContact C-N 3.32Å; R284-E286 PolarHBondContact O-N 3.46Å; R284-Q287 PolarHBondContact O-N 3.46Å; R284-A288 VanDerWaalsContact O-CB 3.3Å; R284-A288 WeakPolarHBondContact O-CB 3.37Å; R284-A288 PolarHBondContact O-N 3.41Å
285L92Very high90.6Very high39 Ų3954.3 Ų54.320%0.20429%0.291CS..Hα-helixtrans-62.9-40.9179.8177.963000111.4L204 R281 E282 D283 A288 K289L204-L285 HydrophobicContact CB-CD1 4.05Å; L204-L285 WeakPolarHBondContact O-CD1 3.42Å; R281-L285 PolarHBondContact O-N 2.98Å; E282-L285 PolarHBondContact O-N 3Å; D283-L285 PolarHBondContact O-N 3.36Å; L285-A288 PolarHBondContact O-N 3.36Å; L285-K289 WeakPolarHBondContact O-CG 3.42Å; L285-K289 PolarHBondContact O-N 3.08Å
286E90.3Very high91.2Very high110 Ų11056.7 Ų56.751%0.51428%0.283SS..Hα-helixtrans-63.9-46.9177.2-173.5173-176.400111.6E282 D283 R284 A288 K289 L290E282-E286 PolarHBondContact O-N 2.89Å; D283-E286 PolarHBondContact O-N 3.03Å; R284-E286 VanDerWaalsContact C-N 3.32Å; R284-E286 PolarHBondContact O-N 3.46Å; E286-A288 VanDerWaalsContact C-N 3.35Å; E286-A288 PolarHBondContact O-N 3.08Å; E286-K289 PolarHBondContact O-N 3.38Å; E286-L290 WeakPolarHBondContact O-CB 3.39Å; E286-L290 PolarHBondContact O-N 3.47Å
287Q92.5Very high91.8Very high6 Ų653 Ų533%0.02827%0.269CS..Hα-helixtrans-66.7-33.8176.6-67.8-59.9-56.800112.5A156 L268 F279 D283 R284 L290 F291A156-Q287 HydrophobicContact CB-CB 4.33Å; A156-Q287 WeakPolarHBondContact CB-O 3.33Å; L268-Q287 HydrophobicContact CD1-CB 4.25Å; L268-Q287 HydrophobicContact CD2-CB 4.14Å; F279-Q287 HydrophobicContact CE2-CB 4.43Å; F279-Q287 HydrophobicContact CE2-CG 3.69Å; F279-Q287 HydrophobicContact CZ-CB 3.92Å; F279-Q287 HydrophobicContact CZ-CG 3.7Å; D283-Q287 WeakPolarHBondContact O-CB 3.35Å; D283-Q287 VanDerWaalsContact O-CG 3.31Å; D283-Q287 WeakPolarHBondContact O-CG 3.31Å; D283-Q287 PolarHBondContact O-N 3.02Å; R284-Q287 PolarHBondContact O-N 3.46Å; Q287-L290 PolarHBondContact O-N 3.02Å; Q287-F291 VanDerWaalsContact O-CB 3.29Å; Q287-F291 WeakPolarHBondContact O-CB 3.35Å; Q287-F291 PolarHBondContact O-N 2.7Å
288A94.8Very high92.3Very high0 Ų051.8 Ų51.80%026%0.257CS..Hα-helixtrans-64.7-46.3174.700000111.4L265 L268 R284 L285 E286 L290 F291 C292L265-A288 HydrophobicContact CD2-CB 4.18Å; L268-A288 HydrophobicContact CD1-CB 4.25Å; R284-A288 VanDerWaalsContact O-CB 3.3Å; R284-A288 WeakPolarHBondContact O-CB 3.37Å; R284-A288 PolarHBondContact O-N 3.41Å; L285-A288 PolarHBondContact O-N 3.36Å; E286-A288 VanDerWaalsContact C-N 3.35Å; E286-A288 PolarHBondContact O-N 3.08Å; A288-L290 VanDerWaalsContact C-N 3.33Å; A288-L290 PolarHBondContact O-N 2.96Å; A288-F291 WeakPolarHBondContact O-CB 3.27Å; A288-F291 PolarHBondContact O-N 3.3Å; A288-C292 PolarHBondContact O-N 3.29Å; A288-C292 PolarHBondContact O-SG 3.4Å
289K94Very high92.9Very high81 Ų8149.3 Ų49.335%0.35223%0.23SC..Hα-helixtrans-60.5-43.3173.9-72.6179.1177.1-170.70111.6S75 L204 L285 E286 C292 R293S75-K289 PolarHBondContact O-NZ 2.92Å; L204-K289 HydrophobicContact CD2-CG 4.18Å; L285-K289 WeakPolarHBondContact O-CG 3.42Å; L285-K289 PolarHBondContact O-N 3.08Å; E286-K289 PolarHBondContact O-N 3.38Å; K289-C292 PolarHBondContact O-N 2.91Å; K289-R293 PolarHBondContact O-N 3.17Å
290L94.1Very high93.2Very high30 Ų3050.9 Ų50.916%0.15725%0.246CC..Hα-helixtrans-63.5-41.8177.1-177.256.9000111.4A156 E286 Q287 A288 R293 T294A156-L290 HydrophobicContact CB-CB 3.81Å; A156-L290 HydrophobicContact CB-CD2 3.84Å; A156-L290 HydrophobicContact CB-CG 3.69Å; E286-L290 WeakPolarHBondContact O-CB 3.39Å; E286-L290 PolarHBondContact O-N 3.47Å; Q287-L290 PolarHBondContact O-N 3.02Å; A288-L290 VanDerWaalsContact C-N 3.33Å; A288-L290 PolarHBondContact O-N 2.96Å; L290-R293 PolarHBondContact O-N 3.45Å; L290-T294 WeakPolarHBondContact O-CB 3.41Å; L290-T294 PolarHBondContact O-N 3.41Å; L290-T294 PolarHBondContact O-OG1 2.93Å
291F96.7Very high93.3Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-59.2-48.3175.2165.4-99000111.3A156 L159 A160 Y163 L202 A262 P264 L265 Q287 A288 R293 T294 L295A156-F291 HydrophobicContact CB-CB 4.16Å; L159-F291 HydrophobicContact CB-CD2 4.19Å; L159-F291 HydrophobicContact CB-CE2 4.46Å; A160-F291 HydrophobicContact CB-CD2 3.92Å; A160-F291 HydrophobicContact CB-CE2 4.2Å; Y163-F291 HydrophobicContact CD1-CZ 4.4Å; L202-F291 HydrophobicContact CD2-CD1 4.19Å; L202-F291 HydrophobicContact CD2-CE1 3.7Å; A262-F291 HydrophobicContact CB-CE1 4.01Å; A262-F291 HydrophobicContact CB-CZ 4.19Å; P264-F291 HydrophobicContact CB-CE2 3.87Å; P264-F291 HydrophobicContact CB-CZ 4.07Å; P264-F291 HydrophobicContact CG-CE2 3.87Å; P264-F291 HydrophobicContact CG-CZ 3.93Å; L265-F291 HydrophobicContact CD2-CD1 3.76Å; L265-F291 HydrophobicContact CD2-CE1 4.08Å; L265-F291 HydrophobicContact CG-CD1 4.37Å; L265-F291 HydrophobicContact CG-CE1 4.18Å; Q287-F291 VanDerWaalsContact O-CB 3.29Å; Q287-F291 WeakPolarHBondContact O-CB 3.35Å; Q287-F291 PolarHBondContact O-N 2.7Å; A288-F291 WeakPolarHBondContact O-CB 3.27Å; A288-F291 PolarHBondContact O-N 3.3Å; F291-R293 PolarHBondContact O-N 3.48Å; F291-T294 PolarHBondContact O-N 3.36Å; F291-L295 HydrophobicContact CE1-CD2 4.33Å; F291-L295 HydrophobicContact CZ-CD2 3.99Å; F291-L295 VanDerWaalsContact O-CB 3.29Å; F291-L295 WeakPolarHBondContact O-CB 3.48Å; F291-L295 PolarHBondContact O-N 3.37Å
292C96.3Very high93.1Very high11 Ų1151.4 Ų51.47%0.07426%0.256CS..Hα-helixtrans-58-49.3177.7-64.10000111.4L202 A288 K289 L295 E296 V313L202-C292 HydrophobicContact CD2-CB 4.35Å; L202-C292 VanDerWaalsContact CD2-SG 3.53Å; A288-C292 PolarHBondContact O-N 3.29Å; A288-C292 PolarHBondContact O-SG 3.4Å; K289-C292 PolarHBondContact O-N 2.91Å; C292-L295 PolarHBondContact O-N 2.99Å; C292-E296 WeakPolarHBondContact O-CB 3.35Å; C292-E296 PolarHBondContact O-N 2.94Å; C292-V313 HydrophobicContact CB-CG2 4.26Å
293R95.3Very high92.7Very high131 Ų13148.9 Ų48.949%0.49425%0.251SS..Hα-helixtrans-61.5-49.5179-174.4-175.368.8-179.23.6111.7K289 L290 F291 L295 E296 D297K289-R293 PolarHBondContact O-N 3.17Å; L290-R293 PolarHBondContact O-N 3.45Å; F291-R293 PolarHBondContact O-N 3.48Å; R293-L295 VanDerWaalsContact C-N 3.29Å; R293-L295 PolarHBondContact O-N 3.48Å; R293-E296 WeakPolarHBondContact O-CB 3.43Å; R293-E296 PolarHBondContact O-N 3.29Å; R293-D297 VanDerWaalsContact O-CG 3.22Å; R293-D297 PolarHBondContact O-N 2.87Å
294T95.7Very high92.3Very high7 Ų754 Ų544%0.04327%0.273CS..Hα-helixtrans-62.6-37.8179.8-610000111.6A160 L290 F291 D297 I298A160-T294 HydrophobicContact CB-CG2 3.7Å; L290-T294 WeakPolarHBondContact O-CB 3.41Å; L290-T294 PolarHBondContact O-N 3.41Å; L290-T294 PolarHBondContact O-OG1 2.93Å; F291-T294 PolarHBondContact O-N 3.36Å; T294-D297 PolarHBondContact O-N 3.43Å; T294-I298 HydrophobicContact CG2-CD1 3.95Å; T294-I298 HydrophobicContact CG2-CG1 4.5Å; T294-I298 WeakPolarHBondContact O-CB 3.38Å; T294-I298 WeakPolarHBondContact O-CD1 3.41Å; T294-I298 WeakPolarHBondContact O-CG1 3.34Å; T294-I298 PolarHBondContact O-N 2.85Å
295L96.8Very high91.8Very high0 Ų053.7 Ų53.70%027%0.273CS..Hα-helixtrans-68.1-39.8176.1-175.662.2000111.8Y163 L168 L202 F291 C292 R293 I298 L299 L311Y163-L295 HydrophobicContact CD1-CD1 4.3Å; Y163-L295 HydrophobicContact CD1-CD2 4.06Å; Y163-L295 HydrophobicContact CE1-CD2 4.29Å; L168-L295 HydrophobicContact CD1-CD1 3.98Å; L202-L295 HydrophobicContact CD2-CD2 4.38Å; F291-L295 HydrophobicContact CE1-CD2 4.33Å; F291-L295 HydrophobicContact CZ-CD2 3.99Å; F291-L295 VanDerWaalsContact O-CB 3.29Å; F291-L295 WeakPolarHBondContact O-CB 3.48Å; F291-L295 PolarHBondContact O-N 3.37Å; C292-L295 PolarHBondContact O-N 2.99Å; R293-L295 VanDerWaalsContact C-N 3.29Å; R293-L295 PolarHBondContact O-N 3.48Å; L295-I298 PolarHBondContact O-N 3.49Å; L295-L299 HydrophobicContact CD1-CD1 4.49Å; L295-L299 HydrophobicContact CD1-CG 4.48Å; L295-L299 HydrophobicContact CG-CD1 4.2Å; L295-L299 WeakPolarHBondContact O-CB 3.36Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 2.93Å; L295-L311 HydrophobicContact CD2-CD1 4.35Å; L295-L311 HydrophobicContact CD2-CD2 3.96Å; L295-L311 HydrophobicContact CG-CD1 4.3Å
296E95.5Very high91.3Very high123 Ų12356.3 Ų56.358%0.57529%0.285SS*.Hα-helixtrans-59.5-47.7173.1-178174.4-152.200111.3C292 R293 I298 L299 A300 L311C292-E296 WeakPolarHBondContact O-CB 3.35Å; C292-E296 PolarHBondContact O-N 2.94Å; R293-E296 WeakPolarHBondContact O-CB 3.43Å; R293-E296 PolarHBondContact O-N 3.29Å; E296-I298 PolarHBondContact O-N 3.31Å; E296-L299 PolarHBondContact O-N 3.4Å; E296-A300 WeakPolarHBondContact O-CB 3.47Å; E296-A300 PolarHBondContact O-N 2.93Å; E296-L311 HydrophobicContact CB-CD1 4.28Å
297D94.7Very high91.1Very high86 Ų8655.5 Ų55.546%0.4628%0.284SS..Hα-helixtrans-59-47176.6-64.1-28.5000111.2R293 T294 L299 A300 D301R293-D297 VanDerWaalsContact O-CG 3.22Å; R293-D297 PolarHBondContact O-N 2.87Å; T294-D297 PolarHBondContact O-N 3.43Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.28Å; D297-A300 PolarHBondContact O-N 3.37Å; D297-D301 PolarHBondContact O-N 2.92Å
298I94.9Very high90.9Very high7 Ų756.3 Ų56.34%0.03629%0.288CS..Hα-helixtrans-59.3-42.4177.2-70.5164.7000111.2A160 W161 Y164 T294 L295 E296 N302A160-I298 HydrophobicContact CB-CD1 4.04Å; W161-I298 HydrophobicContact CD2-CD1 3.76Å; W161-I298 HydrophobicContact CD2-CG1 4.39Å; W161-I298 HydrophobicContact CE3-CD1 4.15Å; W161-I298 HydrophobicContact CG-CD1 4.09Å; W161-I298 HydrophobicContact CH2-CD1 4.49Å; W161-I298 HydrophobicContact CH2-CG1 4.1Å; W161-I298 HydrophobicContact CZ2-CD1 4.15Å; W161-I298 HydrophobicContact CZ2-CG1 3.89Å; W161-I298 HydrophobicContact CZ3-CD1 4.49Å; W161-I298 HydrophobicContact CZ3-CG1 4.43Å; W161-I298 HydrophobicContact CZ3-CG2 4.33Å; Y164-I298 HydrophobicContact CD1-CG2 3.46Å; Y164-I298 VanDerWaalsContact CD1-CG2 3.46Å; Y164-I298 HydrophobicContact CD2-CG2 3.77Å; Y164-I298 HydrophobicContact CE1-CG2 3.83Å; Y164-I298 HydrophobicContact CE2-CG2 4.15Å; Y164-I298 HydrophobicContact CG-CG2 3.43Å; Y164-I298 VanDerWaalsContact CG-CG2 3.43Å; T294-I298 HydrophobicContact CG2-CD1 3.95Å; T294-I298 HydrophobicContact CG2-CG1 4.5Å; T294-I298 WeakPolarHBondContact O-CB 3.38Å; T294-I298 WeakPolarHBondContact O-CD1 3.41Å; T294-I298 WeakPolarHBondContact O-CG1 3.34Å; T294-I298 PolarHBondContact O-N 2.85Å; L295-I298 PolarHBondContact O-N 3.49Å; E296-I298 PolarHBondContact O-N 3.31Å; I298-N302 PolarHBondContact O-ND2 2.91Å
299L94.1Very high90.8Very high8 Ų856.6 Ų56.64%0.04229%0.29CS..Hα-helixtrans-72.3-35.6-179.5-70.5172.4000112.1Y164 L168 L295 E296 D297 D301 N302 L311Y164-L299 HydrophobicContact CD2-CD2 4.24Å; Y164-L299 HydrophobicContact CE2-CD2 4.22Å; L168-L299 HydrophobicContact CD1-CD2 4.35Å; L295-L299 HydrophobicContact CD1-CD1 4.49Å; L295-L299 HydrophobicContact CD1-CG 4.48Å; L295-L299 HydrophobicContact CG-CD1 4.2Å; L295-L299 WeakPolarHBondContact O-CB 3.36Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 2.93Å; E296-L299 PolarHBondContact O-N 3.4Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.28Å; L299-D301 VanDerWaalsContact C-N 3.26Å; L299-D301 PolarHBondContact O-N 3.38Å; L299-N302 CarbonylContact O-C 3.33Å; L299-N302 PolarHBondContact O-N 2.95Å; L299-L311 HydrophobicContact CD1-CD1 4.02Å; L299-L311 HydrophobicContact CD1-CD2 3.99Å; L299-L311 HydrophobicContact CD1-CG 4.07Å
300A91.5Very high90.8Very high51 Ų5156 Ų5642%0.42129%0.286SS..Hα-helixtrans-60.6-36176.800000112.3E296 D297 N302E296-A300 WeakPolarHBondContact O-CB 3.47Å; E296-A300 PolarHBondContact O-N 2.93Å; D297-A300 PolarHBondContact O-N 3.37Å; A300-N302 PolarHBondContact O-N 2.89Å
301D90.7Very high90.9Very high135 Ų13556.1 Ų56.172%0.72229%0.287SS*.THydrogen-bonded Turntrans-73.5-7.6175.1-70.5-19.3000113.5D297 L299D297-D301 PolarHBondContact O-N 2.92Å; L299-D301 VanDerWaalsContact C-N 3.26Å; L299-D301 PolarHBondContact O-N 3.38Å
302N87Confident90.8Very high55 Ų5556.1 Ų56.129%0.29429%0.287SS..  trans-129.878.7-174.3-68.6-90.2000111.3Y164 I298 L299 A300 E304 S305 Q306Y164-N302 WeakPolarHBondContact OH-CB 3.45Å; Y164-N302 PolarHBondContact OH-ND2 3.21Å; Y164-N302 PolarHBondContact OH-OD1 3Å; I298-N302 PolarHBondContact O-ND2 2.91Å; L299-N302 CarbonylContact O-C 3.33Å; L299-N302 PolarHBondContact O-N 2.95Å; A300-N302 PolarHBondContact O-N 2.89Å; N302-E304 VanDerWaalsContact C-N 3.3Å; N302-E304 PolarHBondContact O-N 2.92Å; N302-E304 VanDerWaalsContact O-N 3.15Å; N302-S305 WeakPolarHBondContact O-CA 3.23Å; N302-S305 WeakPolarHBondContact O-CB 3.32Å; N302-S305 PolarHBondContact O-N 3.42Å; N302-Q306 PolarHBondContact O-N 2.87Å
303P79.4Confident90.8Very high78 Ų7858.7 Ų58.751%0.50630%0.301SS..Hα-helixtrans-61.6-31-168.422.2-33.7000114.2S305 Q306 N307P303-S305 VanDerWaalsContact C-N 3.31Å; P303-S305 PolarHBondContact O-N 3.32Å; P303-Q306 PolarHBondContact O-N 3.49Å; P303-N307 WeakPolarHBondContact O-CB 3.32Å; P303-N307 VanDerWaalsContact O-CG 3.23Å; P303-N307 PolarHBondContact O-N 3Å; P303-N307 PolarHBondContact O-ND2 3.41Å; P303-N307 VanDerWaalsContact O-ND2 3.13Å
304E79.9Confident90.7Very high159 Ų15953.2 Ų53.274%0.74328%0.281SS*.Hα-helixtrans-64.6-35.3173.8-68.8-170.7170.900112.6N302 N308N302-E304 VanDerWaalsContact C-N 3.3Å; N302-E304 PolarHBondContact O-N 2.92Å; N302-E304 VanDerWaalsContact O-N 3.15Å; E304-N308 PolarHBondContact O-ND2 3.18Å
305S81.7Confident90.2Very high11 Ų1156.8 Ų56.88%0.07731%0.305CS..Hα-helixtrans-76.5-40.7176.1-64.20000110.8N302 P303 N307 N308 C309N302-S305 WeakPolarHBondContact O-CA 3.23Å; N302-S305 WeakPolarHBondContact O-CB 3.32Å; N302-S305 PolarHBondContact O-N 3.42Å; P303-S305 VanDerWaalsContact C-N 3.31Å; P303-S305 PolarHBondContact O-N 3.32Å; S305-N307 VanDerWaalsContact C-N 3.31Å; S305-N307 PolarHBondContact O-N 2.94Å; S305-N308 PolarHBondContact O-N 3.46Å; S305-N308 VanDerWaalsContact O-N 3.16Å; S305-C309 PolarHBondContact O-N 3.42Å; S305-C309 PolarHBondContact O-SG 3Å
306Q81.8Confident88.9Confident94 Ų9461.3 Ų61.344%0.43933%0.325SS..Hα-helixtrans-59.1-40178.2-165.7-179.620.800112.5N302 P303 N308N302-Q306 PolarHBondContact O-N 2.87Å; P303-Q306 PolarHBondContact O-N 3.49Å; Q306-N308 PolarHBondContact O-N 3.05Å
307N84.8Confident87.5Confident92 Ų9258.2 Ų58.249%0.49232%0.316SS..THydrogen-bonded Turntrans-73.8-15.7-179.2-70-28.1000113.9R197 P303 S305R197-N307 WeakPolarHBondContact CD-O 3.49Å; R197-N307 WeakPolarHBondContact CG-O 3.5Å; R197-N307 PolarHBondContact NE-O 3.26Å; P303-N307 WeakPolarHBondContact O-CB 3.32Å; P303-N307 VanDerWaalsContact O-CG 3.23Å; P303-N307 PolarHBondContact O-N 3Å; P303-N307 PolarHBondContact O-ND2 3.41Å; P303-N307 VanDerWaalsContact O-ND2 3.13Å; S305-N307 VanDerWaalsContact C-N 3.31Å; S305-N307 PolarHBondContact O-N 2.94Å
308N89.3Confident85.9Confident23 Ų2357.3 Ų57.312%0.12332%0.321CS..THydrogen-bonded Turntrans-106.5-4-175.1-72-39.9000113.4L172 L175 Q176 R197 L198 E304 S305 Q306L172-N308 HydrophobicContact CB-CB 4.46Å; L172-N308 HydrophobicContact CD2-CB 4.36Å; L175-N308 VanDerWaalsContact CD2-O 3.28Å; L175-N308 WeakPolarHBondContact CD2-O 3.29Å; Q176-N308 PolarHBondContact NE2-OD1 3.29Å; R197-N308 WeakPolarHBondContact CA-O 3.47Å; L198-N308 PolarHBondContact N-O 3.47Å; E304-N308 PolarHBondContact O-ND2 3.18Å; S305-N308 PolarHBondContact O-N 3.46Å; S305-N308 VanDerWaalsContact O-N 3.16Å; Q306-N308 PolarHBondContact O-N 3.05Å
309C93.4Very high84.1Confident6 Ų665.2 Ų65.24%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-140.7159175.668.60000112.2L172 L198 I200 S305L172-C309 HydrophobicContact CD1-CB 4.28Å; L172-C309 HydrophobicContact CD2-CB 3.82Å; L198-C309 HydrophobicContact CB-CB 4.14Å; L198-C309 CarbonylContact O-C 3.46Å; L198-C309 WeakPolarHBondContact O-CA 3.37Å; L198-C309 WeakPolarHBondContact O-CB 3.18Å; I200-C309 HydrophobicContact CD1-CB 4.27Å; S305-C309 PolarHBondContact O-N 3.42Å; S305-C309 PolarHBondContact O-SG 3Å
310R93.3Very high82.2Confident68 Ų6872.9 Ų72.926%0.25740%0.404SS..EExtended strand (participates in β ladder)trans-135.9126.9175.6-167.972.9-179.8-140.5-3.4109.6L198 Y199 I200 E339L198-R310 PolarHBondContact O-N 3.07Å; Y199-R310 HydrophobicContact CD1-CB 3.72Å; Y199-R310 HydrophobicContact CD1-CG 4.22Å; Y199-R310 HydrophobicContact CE1-CB 3.83Å; Y199-R310 HydrophobicContact CE1-CG 4.14Å; I200-R310 PolarHBondContact N-O 3.36Å; R310-E339 IonicContact NH1-OE2 2.7Å
311L95.8Very high80.7Confident34 Ų3473.2 Ų73.218%0.17840%0.404CS..EExtended strand (participates in β ladder)trans-83129.2174.4-55.9-174.1000109.6I200 L202 L295 E296 L299I200-L311 HydrophobicContact CB-CD2 4.14Å; I200-L311 HydrophobicContact CD1-CD2 4.09Å; L202-L311 HydrophobicContact CD1-CB 3.79Å; L202-L311 HydrophobicContact CD1-CD2 4.01Å; L202-L311 HydrophobicContact CD1-CG 4.4Å; L295-L311 HydrophobicContact CD2-CD1 4.35Å; L295-L311 HydrophobicContact CD2-CD2 3.96Å; L295-L311 HydrophobicContact CG-CD1 4.3Å; E296-L311 HydrophobicContact CB-CD1 4.28Å; L299-L311 HydrophobicContact CD1-CD1 4.02Å; L299-L311 HydrophobicContact CD1-CD2 3.99Å; L299-L311 HydrophobicContact CD1-CG 4.07Å
312I95.9Very high79.8Confident0 Ų072.9 Ų72.90%041%0.412CS..EExtended strand (participates in β ladder)trans-117.798.3174-57.8179.6000107.7Y199 I200 L201 L202 Y314 E328 V329 H332Y199-I312 HydrophobicContact CD1-CD1 3.83Å; Y199-I312 HydrophobicContact CD1-CG1 4.41Å; Y199-I312 HydrophobicContact CG-CD1 4.4Å; I200-I312 PolarHBondContact O-N 3.14Å; L201-I312 HydrophobicContact CD2-CB 4.06Å; L201-I312 HydrophobicContact CD2-CD1 4.24Å; L201-I312 HydrophobicContact CD2-CG2 4.15Å; L202-I312 PolarHBondContact N-O 3.34Å; I312-Y314 HydrophobicContact CG2-CD1 4.37Å; I312-E328 HydrophobicContact CG2-CG 4.15Å; I312-V329 HydrophobicContact CD1-CB 4.42Å; I312-V329 HydrophobicContact CD1-CG1 4.32Å; I312-V329 HydrophobicContact CD1-CG2 4.01Å; I312-H332 HydrophobicContact CD1-CB 4.05Å; I312-H332 HydrophobicContact CG1-CB 4.39Å
313V96Very high79.6Confident64 Ų6473.6 Ų73.639%0.38841%0.412SS..EExtended strand (participates in β ladder)trans-95127.8179.4-174.80000109L202 L204 C292L202-V313 HydrophobicContact CB-CB 4.49Å; L202-V313 HydrophobicContact CB-CG2 4.05Å; L202-V313 HydrophobicContact CD1-CG2 4.17Å; L204-V313 HydrophobicContact CD1-CG1 4.07Å; L204-V313 HydrophobicContact CD2-CG1 3.65Å; L204-V313 HydrophobicContact CG-CG1 3.77Å; C292-V313 HydrophobicContact CB-CG2 4.26Å
314Y92.6Very high80.1Confident16 Ų1671.3 Ų71.36%0.06340%0.398CS..EExtended strand (participates in β ladder)trans-140.4146.4176.959.9-85.3000111.8L201 L202 P203 L204 Y261 I312 F323 L325L201-Y314 HydrophobicContact CB-CE1 4.16Å; L201-Y314 HydrophobicContact CD2-CE1 4.15Å; L202-Y314 PolarHBondContact O-N 3.33Å; P203-Y314 HydrophobicContact CB-CD2 4.47Å; P203-Y314 HydrophobicContact CB-CE1 4.29Å; P203-Y314 HydrophobicContact CB-CE2 3.73Å; L204-Y314 PolarHBondContact N-O 2.96Å; Y261-Y314 WeakPolarHBondContact CE1-OH 3.48Å; I312-Y314 HydrophobicContact CG2-CD1 4.37Å; Y314-F323 AromaticContact CD2-CE1 3.78Å; Y314-F323 HydrophobicContact CD2-CE1 3.78Å; Y314-F323 HydrophobicContact CD2-CE2 4.45Å; Y314-F323 AromaticContact CD2-CZ 3.47Å; Y314-F323 HydrophobicContact CD2-CZ 3.47Å; Y314-F323 VanDerWaalsContact CD2-CZ 3.47Å; Y314-F323 AromaticContact CE2-CE1 4Å; Y314-F323 HydrophobicContact CE2-CE1 4Å; Y314-F323 HydrophobicContact CE2-CZ 4.07Å; Y314-F323 AromaticContact CG-CZ 3.8Å; Y314-F323 HydrophobicContact CG-CZ 3.8Å; Y314-L325 HydrophobicContact CD1-CD1 4.26Å; Y314-L325 HydrophobicContact CE1-CD1 3.64Å; Y314-L325 HydrophobicContact CE2-CD1 4.26Å
315P84.1Confident80.8Confident83 Ų8364.1 Ų64.154%0.53937%0.365SS..PPolyproline II helixtrans-75.7169.6177.233.3-35.3000111.8
316E71.4Confident81.4Confident94 Ų9463.6 Ų63.644%0.43936%0.361SS..PPolyproline II helixtrans-55.5126.2162.9-155.7168.9162.500108.3D205 R281 A318D205-E316 HydrophobicContact CB-CB 3.92Å; D205-E316 HydrophobicContact CB-CG 3.91Å; R281-E316 IonicContact CZ-OE2 3.02Å; R281-E316 VanDerWaalsContact NH2-CD 3.28Å; R281-E316 IonicContact NH2-OE1 3.65Å; R281-E316 PolarHBondContact NH2-OE1 2.96Å; R281-E316 IonicContact NH2-OE2 3.53Å; R281-E316 PolarHBondContact NH2-OE2 2.89Å; E316-A318 PolarHBondContact O-N 3.33Å
317P65.4Low81.9Confident58 Ų5862.6 Ų62.638%0.37736%0.356SS..PPolyproline II helixtrans-60.6128.817325.9-32.4000108.6F323P317-F323 HydrophobicContact CB-CB 3.54Å; P317-F323 HydrophobicContact CB-CD1 3.93Å; P317-F323 HydrophobicContact CB-CG 3.93Å; P317-F323 HydrophobicContact CG-CD1 4.15Å
318A61.8Low82.4Confident68 Ų6860.5 Ų60.556%0.56234%0.344SS*.PPolyproline II helixtrans-62.9145.1169.300000108.3E316 D320 S321E316-A318 PolarHBondContact O-N 3.33Å; A318-D320 PolarHBondContact O-N 2.9Å; A318-S321 PolarHBondContact N-OG 3.5Å; A318-S321 VanDerWaalsContact N-OG 3.17Å; A318-S321 WeakPolarHBondContact O-CB 3.14Å; A318-S321 PolarHBondContact O-N 3.02Å; A318-S321 PolarHBondContact O-OG 2.89Å
319D56.4Low82.6Confident173 Ų17359.4 Ų59.493%0.92534%0.338SS*.THydrogen-bonded Turntrans-53.4-22.8-175.8-70.3-35.5000113.7
320D54.8Low82.6Confident169 Ų16959.2 Ų59.290%0.90434%0.336SS*.THydrogen-bonded Turntrans-97.92.4178.2-68.9-35.1000114.6A318A318-D320 PolarHBondContact O-N 2.9Å
321S59Low82.6Confident58 Ų5863.5 Ų63.541%0.40635%0.353SS..  trans-94129.2-177.867.60000111.7A318 F323A318-S321 PolarHBondContact N-OG 3.5Å; A318-S321 VanDerWaalsContact N-OG 3.17Å; A318-S321 WeakPolarHBondContact O-CB 3.14Å; A318-S321 PolarHBondContact O-N 3.02Å; A318-S321 PolarHBondContact O-OG 2.89Å; S321-F323 PolarHBondContact O-N 3.3Å
322S71.7Confident82.4Confident128 Ų12863.4 Ų63.490%0.89535%0.351SS*.  trans-7348.4168.464.50000111.1S324S322-S324 PolarHBondContact O-N 3.31Å
323F83.9Confident82.1Confident70 Ų7064 Ų6431%0.30735%0.354SS..  trans-68.8124.8179.3178.6-103.2000109.1Y314 P317 S321 L325 E328Y314-F323 AromaticContact CD2-CE1 3.78Å; Y314-F323 HydrophobicContact CD2-CE1 3.78Å; Y314-F323 HydrophobicContact CD2-CE2 4.45Å; Y314-F323 AromaticContact CD2-CZ 3.47Å; Y314-F323 HydrophobicContact CD2-CZ 3.47Å; Y314-F323 VanDerWaalsContact CD2-CZ 3.47Å; Y314-F323 AromaticContact CE2-CE1 4Å; Y314-F323 HydrophobicContact CE2-CE1 4Å; Y314-F323 HydrophobicContact CE2-CZ 4.07Å; Y314-F323 AromaticContact CG-CZ 3.8Å; Y314-F323 HydrophobicContact CG-CZ 3.8Å; P317-F323 HydrophobicContact CB-CB 3.54Å; P317-F323 HydrophobicContact CB-CD1 3.93Å; P317-F323 HydrophobicContact CB-CG 3.93Å; P317-F323 HydrophobicContact CG-CD1 4.15Å; S321-F323 PolarHBondContact O-N 3.3Å; F323-L325 HydrophobicContact CE1-CB 4.34Å; F323-L325 HydrophobicContact CZ-CD1 4.49Å; F323-E328 HydrophobicContact CE2-CB 4.28Å; F323-E328 HydrophobicContact CE2-CG 4.49Å; F323-E328 HydrophobicContact CZ-CB 4.42Å
324S90.1Very high81.8Confident29 Ų2965.4 Ų65.420%0.20335%0.352CS..  trans-121.6121.7172.4168.30000108.6D216 S322 S326 Q327 E328D216-S324 PolarHBondContact OD2-OG 3.35Å; S322-S324 PolarHBondContact O-N 3.31Å; S324-S326 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 2.94Å; S324-S326 PolarHBondContact OG-OG 3.38Å; S324-Q327 PolarHBondContact O-N 2.93Å; S324-Q327 PolarHBondContact OG-N 3.4Å; S324-E328 PolarHBondContact O-N 2.83Å; S324-E328 VanDerWaalsContact O-N 3.08Å
325L93.2Very high81.6Confident8 Ų868.3 Ų68.34%0.04237%0.367CS..Hα-helixtrans-63.7-39.1178.2-178.960.4000111L201 L212 A215 D216 I219 Y314 F323 Q327 E328 V329L201-L325 HydrophobicContact CD1-CD1 4.32Å; L201-L325 HydrophobicContact CD1-CD2 4.03Å; L201-L325 HydrophobicContact CD2-CD1 3.98Å; L212-L325 HydrophobicContact CD2-CD2 4.13Å; A215-L325 HydrophobicContact CB-CD2 4.25Å; D216-L325 HydrophobicContact CB-CB 4.11Å; D216-L325 PolarHBondContact OD2-N 2.92Å; I219-L325 HydrophobicContact CD1-CB 4.09Å; I219-L325 HydrophobicContact CD1-CD2 3.73Å; I219-L325 HydrophobicContact CD1-CG 3.7Å; Y314-L325 HydrophobicContact CD1-CD1 4.26Å; Y314-L325 HydrophobicContact CE1-CD1 3.64Å; Y314-L325 HydrophobicContact CE2-CD1 4.26Å; F323-L325 HydrophobicContact CE1-CB 4.34Å; F323-L325 HydrophobicContact CZ-CD1 4.49Å; L325-Q327 VanDerWaalsContact C-N 3.3Å; L325-Q327 PolarHBondContact O-N 3.38Å; L325-E328 PolarHBondContact O-N 3.32Å; L325-V329 HydrophobicContact CD1-CG2 4.41Å; L325-V329 WeakPolarHBondContact O-CG2 3.34Å; L325-V329 PolarHBondContact O-N 3.22Å
326S94.1Very high81.5Confident1 Ų164.4 Ų64.41%0.00734%0.341CS..Hα-helixtrans-61.3-39.7176.9640000112D216 N218 S324 V329 L330D216-S326 WeakPolarHBondContact OD2-CB 3.45Å; D216-S326 PolarHBondContact OD2-N 3.44Å; D216-S326 PolarHBondContact OD2-OG 2.66Å; N218-S326 WeakPolarHBondContact CB-OG 3.47Å; S324-S326 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 2.94Å; S324-S326 PolarHBondContact OG-OG 3.38Å; S326-V329 PolarHBondContact O-N 2.99Å; S326-L330 WeakPolarHBondContact O-CB 3.28Å; S326-L330 VanDerWaalsContact O-CG 3.27Å; S326-L330 WeakPolarHBondContact O-CG 3.27Å; S326-L330 PolarHBondContact O-N 3.39Å
327Q93.4Very high82Confident72 Ų7265.3 Ų65.334%0.33635%0.346SS..Hα-helixtrans-67.5-39.5176-71.6-65.1-32.500112.7E249 S324 L325 L330 R331E249-Q327 PolarHBondContact OE1-NE2 3.44Å; E249-Q327 VanDerWaalsContact OE1-NE2 3.08Å; E249-Q327 PolarHBondContact OE1-OE1 3.17Å; S324-Q327 PolarHBondContact O-N 2.93Å; S324-Q327 PolarHBondContact OG-N 3.4Å; L325-Q327 VanDerWaalsContact C-N 3.3Å; L325-Q327 PolarHBondContact O-N 3.38Å; Q327-L330 PolarHBondContact O-N 2.91Å; Q327-R331 WeakPolarHBondContact O-CB 3.21Å; Q327-R331 PolarHBondContact O-N 3Å
328E94.1Very high82.7Confident48 Ų4869.8 Ų69.822%0.22436%0.359CS..Hα-helixtrans-64-44.9175.8-169.257.9-147.100111.1I312 F323 S324 L325 R331 H332I312-E328 HydrophobicContact CG2-CG 4.15Å; F323-E328 HydrophobicContact CE2-CB 4.28Å; F323-E328 HydrophobicContact CE2-CG 4.49Å; F323-E328 HydrophobicContact CZ-CB 4.42Å; S324-E328 PolarHBondContact O-N 2.83Å; S324-E328 VanDerWaalsContact O-N 3.08Å; L325-E328 PolarHBondContact O-N 3.32Å; E328-R331 WeakPolarHBondContact O-CB 3.27Å; E328-R331 PolarHBondContact O-N 3.13Å; E328-H332 PolarHBondContact O-CD2 3.09Å; E328-H332 VanDerWaalsContact O-CD2 3.32Å; E328-H332 PolarHBondContact O-N 3.45Å; E328-H332 VanDerWaalsContact O-N 3.16Å; E328-H332 IonicContact OE1-CD2 2.99Å; E328-H332 IonicContact OE1-NE2 2.76Å
329V94.4Very high83.5Confident0 Ų070.5 Ų70.50%035%0.351CS..Hα-helixtrans-62.9-46.7175.7179.20000110.6L201 L247 L259 I312 L325 S326 R331 H332 L333L201-V329 HydrophobicContact CD2-CG2 3.87Å; L247-V329 HydrophobicContact CD1-CB 4.12Å; L247-V329 HydrophobicContact CD1-CG1 3.55Å; L247-V329 HydrophobicContact CD2-CG1 4.48Å; L259-V329 HydrophobicContact CD1-CG1 4.27Å; L259-V329 HydrophobicContact CD1-CG2 4.22Å; L259-V329 HydrophobicContact CD2-CG2 4.32Å; I312-V329 HydrophobicContact CD1-CB 4.42Å; I312-V329 HydrophobicContact CD1-CG1 4.32Å; I312-V329 HydrophobicContact CD1-CG2 4.01Å; L325-V329 HydrophobicContact CD1-CG2 4.41Å; L325-V329 WeakPolarHBondContact O-CG2 3.34Å; L325-V329 PolarHBondContact O-N 3.22Å; S326-V329 PolarHBondContact O-N 2.99Å; V329-R331 VanDerWaalsContact C-N 3.28Å; V329-R331 PolarHBondContact O-N 3.19Å; V329-H332 WeakPolarHBondContact O-CB 3.5Å; V329-H332 PolarHBondContact O-N 3Å; V329-H332 VanDerWaalsContact O-N 3.08Å; V329-L333 HydrophobicContact CG1-CD1 3.68Å; V329-L333 WeakPolarHBondContact O-CD1 3.37Å; V329-L333 PolarHBondContact O-N 2.99Å
330L93.4Very high84.1Confident2 Ų265.3 Ų65.31%0.0132%0.321CS..Hα-helixtrans-58.4-37.9176.2-78.4171000112.7L247 E249 A254 S326 Q327 H332 L333 R334L247-L330 HydrophobicContact CB-CD1 4.39Å; L247-L330 HydrophobicContact CB-CD2 3.9Å; L247-L330 HydrophobicContact CB-CG 4.03Å; L247-L330 HydrophobicContact CD1-CD2 3.88Å; L247-L330 HydrophobicContact CD1-CG 3.97Å; E249-L330 HydrophobicContact CB-CD1 4.35Å; A254-L330 HydrophobicContact CB-CD1 3.84Å; A254-L330 HydrophobicContact CB-CD2 3.75Å; A254-L330 HydrophobicContact CB-CG 4.48Å; S326-L330 WeakPolarHBondContact O-CB 3.28Å; S326-L330 VanDerWaalsContact O-CG 3.27Å; S326-L330 WeakPolarHBondContact O-CG 3.27Å; S326-L330 PolarHBondContact O-N 3.39Å; Q327-L330 PolarHBondContact O-N 2.91Å; L330-H332 VanDerWaalsContact C-N 3.35Å; L330-L333 PolarHBondContact O-N 3.48Å; L330-R334 WeakPolarHBondContact O-CB 3.42Å; L330-R334 WeakPolarHBondContact O-CD 3.49Å; L330-R334 WeakPolarHBondContact O-CG 3.36Å; L330-R334 PolarHBondContact O-N 3.38Å
331R92.8Very high84.6Confident159 Ų15962 Ų6260%0.631%0.306SS*.Hα-helixtrans-59.3-46.4174.4177.4-172.3173.9139.90.8111Q327 E328 V329 R334 Q335Q327-R331 WeakPolarHBondContact O-CB 3.21Å; Q327-R331 PolarHBondContact O-N 3Å; E328-R331 WeakPolarHBondContact O-CB 3.27Å; E328-R331 PolarHBondContact O-N 3.13Å; V329-R331 VanDerWaalsContact C-N 3.28Å; V329-R331 PolarHBondContact O-N 3.19Å; R331-R334 PolarHBondContact O-N 2.94Å; R331-Q335 WeakPolarHBondContact O-CB 3.38Å; R331-Q335 PolarHBondContact O-N 3.34Å
332H92.3Very high84.7Confident31 Ų3163.7 Ų63.714%0.14431%0.314CS..Hα-helixtrans-63.5-43.9177.2-84.7-87.4000112.5I312 E328 V329 L330 Q335 E336I312-H332 HydrophobicContact CD1-CB 4.05Å; I312-H332 HydrophobicContact CG1-CB 4.39Å; E328-H332 PolarHBondContact O-CD2 3.09Å; E328-H332 VanDerWaalsContact O-CD2 3.32Å; E328-H332 PolarHBondContact O-N 3.45Å; E328-H332 VanDerWaalsContact O-N 3.16Å; E328-H332 IonicContact OE1-CD2 2.99Å; E328-H332 IonicContact OE1-NE2 2.76Å; V329-H332 WeakPolarHBondContact O-CB 3.5Å; V329-H332 PolarHBondContact O-N 3Å; V329-H332 VanDerWaalsContact O-N 3.08Å; L330-H332 VanDerWaalsContact C-N 3.35Å; H332-Q335 PolarHBondContact O-N 2.96Å; H332-E336 PolarHBondContact O-N 2.69Å; H332-E336 VanDerWaalsContact O-N 3.11Å
333L90Very high84.2Confident12 Ų1261.6 Ų61.66%0.06330%0.296CS..Hα-helixtrans-58.1-50.1174.9-89.967000111.2V194 Y199 L247 C257 V329 L330 Q335 E336 E337V194-L333 HydrophobicContact CG1-CB 3.87Å; V194-L333 HydrophobicContact CG1-CG 3.86Å; V194-L333 VanDerWaalsContact CG1-O 3.24Å; V194-L333 WeakPolarHBondContact CG1-O 3.3Å; Y199-L333 HydrophobicContact CD1-CD1 4.31Å; Y199-L333 HydrophobicContact CD2-CD1 4.25Å; Y199-L333 HydrophobicContact CE1-CD1 3.86Å; Y199-L333 HydrophobicContact CE2-CD1 3.76Å; Y199-L333 HydrophobicContact CE2-CG 4.29Å; Y199-L333 HydrophobicContact CG-CD1 4.48Å; L247-L333 HydrophobicContact CD1-CD2 4.1Å; C257-L333 HydrophobicContact CB-CD1 4.28Å; C257-L333 HydrophobicContact CB-CD2 4.21Å; V329-L333 HydrophobicContact CG1-CD1 3.68Å; V329-L333 WeakPolarHBondContact O-CD1 3.37Å; V329-L333 PolarHBondContact O-N 2.99Å; L330-L333 PolarHBondContact O-N 3.48Å; L333-Q335 VanDerWaalsContact C-N 3.3Å; L333-Q335 PolarHBondContact O-N 3.48Å; L333-E336 PolarHBondContact O-N 3.32Å; L333-E337 PolarHBondContact O-N 3.2Å
334R89.3Confident82.8Confident94 Ų9459.7 Ų59.736%0.35530%0.296SS..Hα-helixtrans-63.8-34.2-179.7-69.9165.2-178.2161.9-2.6112.7E249 L330 R331 K338E249-R334 IonicContact OE1-CZ 3.14Å; E249-R334 IonicContact OE1-NH1 3.87Å; E249-R334 PolarHBondContact OE1-NH1 2.95Å; E249-R334 IonicContact OE1-NH2 2.8Å; E249-R334 PolarHBondContact OE1-NH2 3.45Å; E249-R334 IonicContact OE2-CZ 2.67Å; E249-R334 IonicContact OE2-NH2 3.68Å; E249-R334 PolarHBondContact OE2-NH2 2.93Å; L330-R334 WeakPolarHBondContact O-CB 3.42Å; L330-R334 WeakPolarHBondContact O-CD 3.49Å; L330-R334 WeakPolarHBondContact O-CG 3.36Å; L330-R334 PolarHBondContact O-N 3.38Å; R331-R334 PolarHBondContact O-N 2.94Å; R334-K338 WeakPolarHBondContact O-CG 3.39Å; R334-K338 PolarHBondContact O-N 2.93Å
335Q87.1Confident80.8Confident77 Ų7762 Ų6236%0.3631%0.312SS..Hα-helixtrans-66-44.7176.6177.3173.7-10.100111R331 H332 L333 E337 K338 E339R331-Q335 WeakPolarHBondContact O-CB 3.38Å; R331-Q335 PolarHBondContact O-N 3.34Å; H332-Q335 PolarHBondContact O-N 2.96Å; L333-Q335 VanDerWaalsContact C-N 3.3Å; L333-Q335 PolarHBondContact O-N 3.48Å; Q335-E337 VanDerWaalsContact C-N 3.33Å; Q335-E337 PolarHBondContact O-N 3.44Å; Q335-K338 WeakPolarHBondContact O-CB 3.36Å; Q335-K338 PolarHBondContact O-N 3.36Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.43Å; Q335-E339 PolarHBondContact NE2-OE1 3.43Å; Q335-E339 WeakPolarHBondContact O-CG 3.47Å; Q335-E339 PolarHBondContact O-N 3.3Å; Q335-E339 VanDerWaalsContact O-N 3.07Å
336E82.6Confident78.7Confident2 Ų268.1 Ų68.11%0.00935%0.345CS..Hα-helixtrans-64.9-38.4179.4-170.7176165.200111.9V194 R197 Y199 H332 L333 K338 E339 E340V194-E336 HydrophobicContact CB-CG 4.46Å; V194-E336 HydrophobicContact CG1-CB 4.07Å; V194-E336 HydrophobicContact CG1-CG 4.35Å; V194-E336 HydrophobicContact CG2-CB 4.12Å; V194-E336 HydrophobicContact CG2-CG 4.1Å; R197-E336 WeakPolarHBondContact CD-OE1 3.44Å; R197-E336 IonicContact CZ-OE1 2.69Å; R197-E336 IonicContact NE-OE1 3.94Å; R197-E336 PolarHBondContact NE-OE1 2.92Å; R197-E336 IonicContact NH1-OE1 3.82Å; R197-E336 PolarHBondContact NH1-OE1 3.43Å; R197-E336 IonicContact NH1-OE2 3.9Å; R197-E336 PolarHBondContact NH1-OE2 3.46Å; R197-E336 IonicContact NH2-OE1 3.74Å; Y199-E336 PolarHBondContact OH-OE2 3.38Å; H332-E336 PolarHBondContact O-N 2.69Å; H332-E336 VanDerWaalsContact O-N 3.11Å; L333-E336 PolarHBondContact O-N 3.32Å; E336-K338 VanDerWaalsContact C-N 3.27Å; E336-K338 PolarHBondContact O-N 2.78Å; E336-E339 PolarHBondContact O-N 3.35Å; E336-E340 PolarHBondContact O-N 3.36Å
337E81.5Confident76.4Confident113 Ų11375.2 Ų75.253%0.52838%0.375SS..Hα-helixtrans-58.6-42.2175.4-158.3174.4-174.900111.5V194 L333 Q335 V341V194-E337 HydrophobicContact CG2-CB 3.64Å; V194-E337 HydrophobicContact CG2-CG 4.07Å; L333-E337 PolarHBondContact O-N 3.2Å; Q335-E337 VanDerWaalsContact C-N 3.33Å; Q335-E337 PolarHBondContact O-N 3.44Å; E337-V341 WeakPolarHBondContact O-CB 3.37Å; E337-V341 WeakPolarHBondContact O-CG2 3.27Å; E337-V341 PolarHBondContact O-N 2.88Å
338K81.4Confident73.9Confident151 Ų15178.3 Ų78.366%0.65739%0.394SS*.Hα-helixtrans-66.6-42.2177.7-70173.4-177.3-1790112.1R334 Q335 E336 T342R334-K338 WeakPolarHBondContact O-CG 3.39Å; R334-K338 PolarHBondContact O-N 2.93Å; Q335-K338 WeakPolarHBondContact O-CB 3.36Å; Q335-K338 PolarHBondContact O-N 3.36Å; E336-K338 VanDerWaalsContact C-N 3.27Å; E336-K338 PolarHBondContact O-N 2.78Å; K338-T342 WeakPolarHBondContact O-CB 3.13Å; K338-T342 PolarHBondContact O-N 3Å; K338-T342 VanDerWaalsContact O-N 3.11Å; K338-T342 PolarHBondContact O-OG1 3.42Å
339E78.1Confident71.5Confident83 Ų8381 Ų8139%0.38842%0.418SS..Hα-helixtrans-62-44.6178.7-73171.9-168.800110.6R310 Q335 E336 T342 V343R310-E339 IonicContact NH1-OE2 2.7Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.43Å; Q335-E339 PolarHBondContact NE2-OE1 3.43Å; Q335-E339 WeakPolarHBondContact O-CG 3.47Å; Q335-E339 PolarHBondContact O-N 3.3Å; Q335-E339 VanDerWaalsContact O-N 3.07Å; E336-E339 PolarHBondContact O-N 3.35Å; E339-T342 PolarHBondContact O-N 3.5Å; E339-V343 WeakPolarHBondContact O-CG2 3.49Å; E339-V343 PolarHBondContact O-N 3.07Å; E339-V343 VanDerWaalsContact O-N 3.17Å
340E69.7Low68.9Low64 Ų6484.5 Ų84.530%0.29945%0.447SS..Hα-helixtrans-70.9-41.3179.9-70.1-172.8146.900113.8A193 V194 E336 T342 V343 G344A193-E340 WeakPolarHBondContact CA-OE2 3.39Å; A193-E340 VanDerWaalsContact CB-CD 3.44Å; A193-E340 WeakPolarHBondContact CB-OE1 3.37Å; A193-E340 WeakPolarHBondContact CB-OE2 3.49Å; V194-E340 PolarHBondContact N-OE2 3.44Å; E336-E340 PolarHBondContact O-N 3.36Å; E340-T342 VanDerWaalsContact C-N 3.26Å; E340-T342 PolarHBondContact O-N 3.06Å; E340-V343 PolarHBondContact O-N 3.08Å; E340-G344 PolarHBondContact O-N 3.37Å
341V64Low66Low99 Ų9990 Ų9060%0.648%0.48SS*.Hα-helixtrans-61.3-38.6175.8170.10000110.7E337 G344 S345E337-V341 WeakPolarHBondContact O-CB 3.37Å; E337-V341 WeakPolarHBondContact O-CG2 3.27Å; E337-V341 PolarHBondContact O-N 2.88Å; V341-G344 PolarHBondContact O-N 3.48Å; V341-S345 WeakPolarHBondContact O-CB 3.45Å; V341-S345 PolarHBondContact O-N 3.49Å
342T62.2Low63.2Low94 Ų9487.6 Ų87.658%0.57749%0.485SS*.Hα-helixtrans-65.9-43.3178.3-53.80000111.5K338 E339 E340 S345 L346K338-T342 WeakPolarHBondContact O-CB 3.13Å; K338-T342 PolarHBondContact O-N 3Å; K338-T342 VanDerWaalsContact O-N 3.11Å; K338-T342 PolarHBondContact O-OG1 3.42Å; E339-T342 PolarHBondContact O-N 3.5Å; E340-T342 VanDerWaalsContact C-N 3.26Å; E340-T342 PolarHBondContact O-N 3.06Å; T342-S345 PolarHBondContact O-N 3.35Å; T342-L346 PolarHBondContact O-N 2.84Å; T342-L346 VanDerWaalsContact O-N 3.07Å
343V59.9Low60.6Low85 Ų8591.4 Ų91.452%0.51552%0.516SS..Hα-helixtrans-69.2-38.7177.7175.70000111.8E339 E340 L346 K347E339-V343 WeakPolarHBondContact O-CG2 3.49Å; E339-V343 PolarHBondContact O-N 3.07Å; E339-V343 VanDerWaalsContact O-N 3.17Å; E340-V343 PolarHBondContact O-N 3.08Å; V343-L346 PolarHBondContact O-N 3.35Å; V343-K347 PolarHBondContact O-N 2.91Å; V343-K347 VanDerWaalsContact O-N 3.08Å
344G54.3Low57.6Low30 Ų3096.9 Ų96.931%0.30955%0.55SS..Hα-helixtrans-64.8-41.1174.600000112.8E340 V341 L346 K347 N348E340-G344 PolarHBondContact O-N 3.37Å; V341-G344 PolarHBondContact O-N 3.48Å; G344-L346 VanDerWaalsContact C-N 3.35Å; G344-L346 PolarHBondContact O-N 2.87Å; G344-K347 PolarHBondContact O-N 2.93Å; G344-N348 WeakPolarHBondContact O-CB 3.49Å; G344-N348 VanDerWaalsContact O-CG 3.3Å; G344-N348 PolarHBondContact O-N 3.29Å
345S48.7Very low54.9Low77 Ų7797.7 Ų97.754%0.53857%0.57SS.*Hα-helixtrans-64.9-37.5175-170.90000112.2V341 T342 N348 S349V341-S345 WeakPolarHBondContact O-CB 3.45Å; V341-S345 PolarHBondContact O-N 3.49Å; T342-S345 PolarHBondContact O-N 3.35Å; S345-N348 PolarHBondContact O-N 3.17Å; S345-S349 WeakPolarHBondContact O-CB 3.39Å; S345-S349 PolarHBondContact O-N 2.7Å
346L49.1Very low52.2Low137 Ų137100.2 Ų100.272%0.71759%0.591SS**Hα-helixtrans-69.2-37.6177.6-154.478.1000112T342 V343 G344T342-L346 PolarHBondContact O-N 2.84Å; T342-L346 VanDerWaalsContact O-N 3.07Å; V343-L346 PolarHBondContact O-N 3.35Å; G344-L346 VanDerWaalsContact C-N 3.35Å; G344-L346 PolarHBondContact O-N 2.87Å
347K45.2Very low49.8Very low150 Ų150108.8 Ų108.865%0.65263%0.633SS**Hα-helixtrans-68.3-37.8174.2-77.2-178.5177.4178.90112.6V343 G344 A350V343-K347 PolarHBondContact O-N 2.91Å; V343-K347 VanDerWaalsContact O-N 3.08Å; G344-K347 PolarHBondContact O-N 2.93Å; K347-A350 PolarHBondContact O-N 3.45Å
348N42.2Very low47.4Very low136 Ų136109.3 Ų109.373%0.72765%0.649SS**Hα-helixtrans-76.2-23.6179.4-70.4-2.4000113.2G344 S345 A350G344-N348 WeakPolarHBondContact O-CB 3.49Å; G344-N348 VanDerWaalsContact O-CG 3.3Å; G344-N348 PolarHBondContact O-N 3.29Å; S345-N348 PolarHBondContact O-N 3.17Å; N348-A350 VanDerWaalsContact C-N 3.31Å
349S43.9Very low45.1Very low105 Ų105110.8 Ų110.873%0.73466%0.658SS**THydrogen-bonded Turntrans-82.5-5.7176.2-160.10000113.8S345S345-S349 WeakPolarHBondContact O-CB 3.39Å; S345-S349 PolarHBondContact O-N 2.7Å
350A38.6Very low43Very low74 Ų74115.4 Ų115.461%0.61268%0.68SS**THydrogen-bonded Turntrans-96.910.9-177.500000114.5K347 N348K347-A350 PolarHBondContact O-N 3.45Å; N348-A350 VanDerWaalsContact C-N 3.31Å
351V33.6Very low41.2Very low116 Ų116117.6 Ų117.670%0.70370%0.7SS**  trans-117.798.7176.8-173.80000110.7
352P33.8Very low39.6Very low109 Ų109121.1 Ų121.171%0.70871%0.709SS**  trans-78.8120.6153.35.113.2000108.2T354P352-T354 PolarHBondContact O-N 3.1Å
353S37.6Very low38.1Very low111 Ų111124 Ų12478%0.77672%0.72SS**  trans-65.1108164.7480000110.3
354T27.6Very low36.9Very low127 Ų127127.6 Ų127.678%0.77974%0.736SS**  trans-138.4109.2156.542.40000110.5P352P352-T354 PolarHBondContact O-N 3.1Å
355S32.3Very low36.1Very low111 Ų111133.4 Ų133.478%0.77676%0.758SS**  trans-53.2130.915147.30000110.7
356T30.4Very low35.5Very low130 Ų130135.5 Ų135.580%0.79877%0.773SS**  trans155.1125.1131.1-55.60000109.1
357M32.3Very low34.8Very low183 Ų183132.4 Ų132.490%0.90177%0.774SS**  trans6.5121.7163.7-66.1-135.8133.600119.1
358S31.5Very low34.2Very low123 Ų123132.9 Ų132.986%0.8678%0.781SS**  trans-155.5142.6141.3-1590000110.7
359Q32.8Very low33.9Very low183 Ų183135.7 Ų135.786%0.85579%0.789SS**  trans-64.6141.7-166.8-69.6160.8-48.900113.4
360E32.4Very low33.9Very low179 Ų179138.3 Ų138.384%0.83679%0.787SS**  trans-67.8127.2170.3-170.7171-150.900110.1
361P32.5Very low34Very low110 Ų110140.8 Ų140.871%0.71480%0.798SS**  trans-86.3110.9165.829.3-24.1000109.4L363P361-L363 PolarHBondContact O-N 3.26Å; P361-L363 VanDerWaalsContact O-N 3.16Å
362E31.6Very low34.4Very low173 Ų173143.1 Ų143.181%0.80881%0.805SS**  trans-58.7110.3164.2-80.4-178.2140.900109.8
363L29.6Very low34.8Very low154 Ų154143.7 Ų143.781%0.80681%0.809SS**  trans-97.594.7162.4-86.5162.7000108.7P361 I365P361-L363 PolarHBondContact O-N 3.26Å; P361-L363 VanDerWaalsContact O-N 3.16Å; L363-I365 PolarHBondContact O-N 3.39Å; L363-I365 VanDerWaalsContact O-N 3.15Å
364L35.5Very low34.7Very low161 Ų161146.5 Ų146.584%0.84381%0.814SS**  trans-64.7102.5164-77.8163.1000109.3
365I36.9Very low35.2Very low152 Ų152151.1 Ų151.178%0.77982%0.817SS**  trans-117.3104.2159.5-58-177000108.3L363L363-I365 PolarHBondContact O-N 3.39Å; L363-I365 VanDerWaalsContact O-N 3.15Å
366S36.2Very low35.8Very low122 Ų122151.3 Ų151.385%0.85381%0.814SS**  trans-54.5134.9167.4160.30000112
367G34.6Very low36.5Very low71 Ų71151.2 Ų151.273%0.73281%0.809SS**  trans142.373.4160.700000114.9E369G367-E369 PolarHBondContact O-N 2.97Å
368M31.5Very low36.8Very low161 Ų161152 Ų15279%0.79381%0.808SS**  trans-71.4117.3165.3-69.9177.875.400110.1K370M368-K370 HydrophobicContact CE-CG 4.21Å
369E37.9Very low37.3Very low194 Ų194155.5 Ų155.591%0.90783%0.832SS**  trans-104104.8152.2-84.5-173.7161.500108.4G367G367-E369 PolarHBondContact O-N 2.97Å
370K42Very low37.5Very low160 Ų160154.2 Ų154.270%0.69683%0.831SS**PPolyproline II helixtrans-69.5140.7168-70.8176.2178.3176.20108.6M368 L372M368-K370 HydrophobicContact CE-CG 4.21Å; K370-L372 PolarHBondContact O-N 3.01Å
371P40.7Very low37.8Very low127 Ų127152.8 Ų152.883%0.82583%0.83SS**PPolyproline II helixtrans-65.8131171.125.3-30.5000110.6
372L43.4Very low38Very low165 Ų165155.2 Ų155.286%0.86484%0.837SS**PPolyproline II helixtrans-68.1142.4175.4-79.9132.6000111.2K370K370-L372 PolarHBondContact O-N 3.01Å
373P41.4Very low38.4Very low120 Ų120154.2 Ų154.278%0.77984%0.839SS**PPolyproline II helixtrans-72.2142175.528.3-32000112.1R375P373-R375 PolarHBondContact O-N 2.8Å
374L36.3Very low39Very low170 Ų170154.2 Ų154.289%0.8984%0.841SS**PPolyproline II helixtrans-57.6118.9172.7-82.6141.3000110.7
375R38.5Very low39.2Very low224 Ų224153.7 Ų153.785%0.84584%0.84SS**  trans-80.4114.5171.1-138.9179.3-171.4162.52.7108.5P373 D377P373-R375 PolarHBondContact O-N 2.8Å; R375-D377 IonicContact NE-OD2 3.61Å
376T43.4Very low39.4Very low116 Ų116153.9 Ų153.971%0.71285%0.845SS**  trans-95.9100.3166.447.80000108.3
377D45.4Very low39.6Very low128 Ų128156.3 Ų156.368%0.68484%0.844SS**  trans-113.6106.3165.5-68.7-34.6000107.8R375R375-D377 IonicContact NE-OD2 3.61Å
378F37.9Very low40Very low200 Ų200163.4 Ų163.488%0.87785%0.854SS**  trans-79.6130.6161.1-79-86.6000108.1
379S42.1Very low40.8Very low196 Ų196163.6 Ų163.6100%1.37186%0.859SS**  trans-149.60157.3-62.50000108.3

Retrieved 379 of 379 residues in 215 ms (Link to these results)