A0A087X4K1_POEFO Loading...

DEP domain containing 1a

AlphaFold DB , UniProt , Accession A0A087X4K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 799 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
1M37.3Very low54.8Low223 Ų223117.5 Ų117.5100%1.09964%0.642SS**  01000-66.7-52.3-171.400106.5T3M1-T3 PolarHBondContact O-N 3.18Å
2D30.8Very low56.8Low162 Ų162112.8 Ų112.887%0.86661%0.608SS**  trans-77111.9-167.2-55.5-79.7000110.9H4D2-H4 VanDerWaalsContact C-N 3.35Å; D2-H4 PolarHBondContact O-N 3.09Å
3T45Very low58.2Low95 Ų95104.6 Ų104.658%0.58357%0.566SS**  trans-76.482.9-176.243.70000110.7M1 I5M1-T3 PolarHBondContact O-N 3.18Å; T3-I5 PolarHBondContact O-N 2.93Å
4H53.6Low59.7Low145 Ų145100.4 Ų100.467%0.67155%0.545SS*.  trans-66.294.4177.7-173.4-63.5000111.4D2 I6D2-H4 VanDerWaalsContact C-N 3.35Å; D2-H4 PolarHBondContact O-N 3.09Å; H4-I6 PolarHBondContact O-N 3.1Å
5I60.2Low60.9Low111 Ų111101.5 Ų101.557%0.56954%0.543SS*.  trans-62.2123.2176-58.6174.3000109.3T3 T7T3-I5 PolarHBondContact O-N 2.93Å; I5-T7 PolarHBondContact O-N 2.85Å
6I67Low62.3Low17 Ų1795.3 Ų95.39%0.08751%0.509CS..  trans-87.991.4-179.7-56.8-171.7000108.6H4 R12 K15 L16 E19 N62H4-I6 PolarHBondContact O-N 3.1Å; I6-R12 HydrophobicContact CG2-CG 4.1Å; I6-R12 PolarHBondContact O-NE 2.65Å; I6-R12 VanDerWaalsContact O-NE 3.15Å; I6-K15 HydrophobicContact CD1-CB 4.34Å; I6-K15 HydrophobicContact CG2-CB 3.98Å; I6-K15 HydrophobicContact CG2-CD 4.33Å; I6-L16 HydrophobicContact CB-CD2 4.42Å; I6-L16 HydrophobicContact CD1-CD2 3.9Å; I6-L16 HydrophobicContact CD1-CG 4.18Å; I6-L16 HydrophobicContact CG1-CD2 4.48Å; I6-E19 HydrophobicContact CD1-CB 4.29Å; I6-N62 PolarHBondContact N-OD1 3.17Å
7T58.2Low63.5Low111 Ų11191.7 Ų91.768%0.68149%0.487SS*.  trans-48.4136.7180-28.30000111.9I5I5-T7 PolarHBondContact O-N 2.85Å
8P60Low64.7Low107 Ų10789.9 Ų89.970%0.69548%0.478SS*.SBendtrans-62.5140.2178.324.9-34.6000112.4
9G63.9Low65.6Low46 Ų4687.9 Ų87.947%0.47447%0.465SS..SBendtrans166.7-178.4-176.300000111.2R12G9-R12 WeakPolarHBondContact O-CB 3.47Å; G9-R12 PolarHBondContact O-N 2.92Å
10P55.2Low66.6Low101 Ų10183.6 Ų83.666%0.65644%0.442SS*.THydrogen-bonded Turntrans-60.5147.6176.426.6-34.7000111.5R12P10-R12 PolarHBondContact O-N 3.03Å
11Y72Confident67.5Low174 Ų17479.7 Ų79.768%0.68242%0.422SS*.THydrogen-bonded Turntrans60.722.5-177.2-41.5-74.1000115.1A13 T14 K15Y11-A13 VanDerWaalsContact C-N 3.33Å; Y11-A13 PolarHBondContact O-N 3.35Å; Y11-T14 PolarHBondContact O-N 2.81Å; Y11-K15 WeakPolarHBondContact O-CG 3.31Å; Y11-K15 PolarHBondContact O-N 3.24Å
12R77.9Confident69.7Low61 Ų6175.1 Ų75.123%0.2339%0.392CS..Hα-helixtrans-57.8-43.5177.3-166.8-167.3-173.6-150.5-12.4112.2I6 G9 P10 K15 L16 L345I6-R12 HydrophobicContact CG2-CG 4.1Å; I6-R12 PolarHBondContact O-NE 2.65Å; I6-R12 VanDerWaalsContact O-NE 3.15Å; G9-R12 WeakPolarHBondContact O-CB 3.47Å; G9-R12 PolarHBondContact O-N 2.92Å; P10-R12 PolarHBondContact O-N 3.03Å; R12-K15 PolarHBondContact O-N 3.38Å; R12-L16 HydrophobicContact CG-CD1 4.18Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 2.69Å; R12-L345 VanDerWaalsContact NH1-CD1 3.34Å
13A75.8Confident72.1Confident7 Ų769.7 Ų69.76%0.05836%0.363CS..Hα-helixtrans-62.2-48.3178.700000111.7Y11 K15 L16 W17 E338 L342Y11-A13 VanDerWaalsContact C-N 3.33Å; Y11-A13 PolarHBondContact O-N 3.35Å; A13-K15 VanDerWaalsContact C-N 3.3Å; A13-K15 PolarHBondContact O-N 3.08Å; A13-L16 WeakPolarHBondContact O-CB 3.37Å; A13-L16 PolarHBondContact O-N 2.98Å; A13-L16 VanDerWaalsContact O-N 3.16Å; A13-W17 PolarHBondContact O-N 3.34Å; A13-E338 HydrophobicContact CB-CB 3.67Å; A13-E338 HydrophobicContact CB-CG 4.15Å; A13-L342 HydrophobicContact CB-CD1 4.16Å; A13-L342 HydrophobicContact CB-CD2 4.2Å; A13-L342 HydrophobicContact CB-CG 3.96Å
14T78.8Confident74.1Confident45 Ų4565.1 Ų65.128%0.27634%0.335SS..Hα-helixtrans-59.7-38.3176.4-25.30000112.2Y11 N18 E338Y11-T14 PolarHBondContact O-N 2.81Å; T14-N18 WeakPolarHBondContact O-CB 3.32Å; T14-N18 PolarHBondContact O-N 3.21Å; T14-N18 PolarHBondContact O-ND2 2.9Å; T14-E338 WeakPolarHBondContact CA-OE1 3.33Å; T14-E338 VanDerWaalsContact CB-OE1 3.25Å; T14-E338 WeakPolarHBondContact CB-OE1 3.37Å; T14-E338 PolarHBondContact N-OE1 2.99Å; T14-E338 PolarHBondContact OG1-OE1 2.89Å
15K77.5Confident75.5Confident118 Ų11860.9 Ų60.951%0.51331%0.313SS..Hα-helixtrans-66.1-44.2174.1-73.9174178.8175.20112.3I6 Y11 R12 A13 E19I6-K15 HydrophobicContact CD1-CB 4.34Å; I6-K15 HydrophobicContact CG2-CB 3.98Å; I6-K15 HydrophobicContact CG2-CD 4.33Å; Y11-K15 WeakPolarHBondContact O-CG 3.31Å; Y11-K15 PolarHBondContact O-N 3.24Å; R12-K15 PolarHBondContact O-N 3.38Å; A13-K15 VanDerWaalsContact C-N 3.3Å; A13-K15 PolarHBondContact O-N 3.08Å; K15-E19 WeakPolarHBondContact O-CB 3.35Å; K15-E19 PolarHBondContact O-N 3.11Å
16L82.8Confident76.4Confident1 Ų159.7 Ų59.71%0.00532%0.32CS..Hα-helixtrans-61.8-44.6174.3-74.1160.8000111.2I6 R12 A13 E19 V20 N62 F63 L341 L345I6-L16 HydrophobicContact CB-CD2 4.42Å; I6-L16 HydrophobicContact CD1-CD2 3.9Å; I6-L16 HydrophobicContact CD1-CG 4.18Å; I6-L16 HydrophobicContact CG1-CD2 4.48Å; R12-L16 HydrophobicContact CG-CD1 4.18Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 2.69Å; A13-L16 WeakPolarHBondContact O-CB 3.37Å; A13-L16 PolarHBondContact O-N 2.98Å; A13-L16 VanDerWaalsContact O-N 3.16Å; L16-E19 PolarHBondContact O-N 3.35Å; L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 2.89Å; L16-N62 HydrophobicContact CD2-CB 3.82Å; L16-F63 HydrophobicContact CB-CZ 4.31Å; L16-F63 HydrophobicContact CD2-CE1 4.49Å; L16-F63 HydrophobicContact CD2-CE2 4.06Å; L16-F63 HydrophobicContact CD2-CZ 3.8Å; L16-F63 HydrophobicContact CG-CZ 4.49Å; L16-L341 HydrophobicContact CB-CD1 4.33Å; L16-L345 HydrophobicContact CD1-CD1 3.84Å
17W83.9Confident76.9Confident35 Ų3560.6 Ų60.613%0.13333%0.333CS..Hα-helixtrans-57.7-51.6176.4177.9-91.6000112A13 E19 T21 L75 K78 F79 N82 V84 L341A13-W17 PolarHBondContact O-N 3.34Å; W17-E19 VanDerWaalsContact C-N 3.34Å; W17-E19 PolarHBondContact O-N 3.34Å; W17-T21 WeakPolarHBondContact O-CB 3.26Å; W17-T21 PolarHBondContact O-N 2.83Å; W17-T21 PolarHBondContact O-OG1 3.37Å; W17-L75 HydrophobicContact CE3-CD1 4.25Å; W17-L75 HydrophobicContact CZ3-CD1 3.85Å; W17-K78 HydrophobicContact CH2-CB 4.01Å; W17-K78 HydrophobicContact CZ3-CB 4.1Å; W17-F79 HydrophobicContact CE3-CE1 4.3Å; W17-F79 AromaticContact CH2-CD1 3.55Å; W17-F79 HydrophobicContact CH2-CD1 3.55Å; W17-F79 AromaticContact CH2-CE1 3.8Å; W17-F79 HydrophobicContact CH2-CE1 3.8Å; W17-F79 HydrophobicContact CZ2-CD1 4.07Å; W17-F79 HydrophobicContact CZ2-CE1 4.17Å; W17-F79 AromaticContact CZ3-CD1 3.98Å; W17-F79 HydrophobicContact CZ3-CD1 3.98Å; W17-F79 AromaticContact CZ3-CE1 3.87Å; W17-F79 HydrophobicContact CZ3-CE1 3.87Å; W17-N82 HydrophobicContact CH2-CB 4.38Å; W17-N82 HydrophobicContact CZ2-CB 3.9Å; W17-V84 HydrophobicContact CZ2-CG2 4.12Å; W17-L341 HydrophobicContact CB-CD1 3.55Å; W17-L341 HydrophobicContact CD2-CD1 4.48Å; W17-L341 HydrophobicContact CE3-CD1 3.89Å; W17-L341 HydrophobicContact CG-CD1 4.42Å
18N83.8Confident78.1Confident60 Ų6055.9 Ų55.932%0.32130%0.304SS..Hα-helixtrans-62.5-40.6-179.2-73-21.1000111.9T14 R22T14-N18 WeakPolarHBondContact O-CB 3.32Å; T14-N18 PolarHBondContact O-N 3.21Å; T14-N18 PolarHBondContact O-ND2 2.9Å; N18-R22 WeakPolarHBondContact O-CB 3.37Å; N18-R22 PolarHBondContact O-N 2.84Å
19E82.8Confident78.8Confident51 Ų5154.1 Ų54.124%0.23829%0.292CS..Hα-helixtrans-69.3-46.6-179.7-179.162.2178.400112.4I6 K15 L16 W17 T21 R22 L23I6-E19 HydrophobicContact CD1-CB 4.29Å; K15-E19 WeakPolarHBondContact O-CB 3.35Å; K15-E19 PolarHBondContact O-N 3.11Å; L16-E19 PolarHBondContact O-N 3.35Å; W17-E19 VanDerWaalsContact C-N 3.34Å; W17-E19 PolarHBondContact O-N 3.34Å; E19-T21 VanDerWaalsContact C-N 3.33Å; E19-T21 PolarHBondContact O-N 3.19Å; E19-R22 PolarHBondContact O-N 3.4Å; E19-R22 IonicContact OE1-CZ 3.18Å; E19-R22 IonicContact OE1-NE 2.67Å; E19-R22 IonicContact OE1-NH2 2.72Å; E19-R22 PolarHBondContact OE1-NH2 2.88Å; E19-R22 IonicContact OE2-CZ 3.92Å; E19-R22 VanDerWaalsContact OE2-CZ 3.27Å; E19-R22 IonicContact OE2-NE 2.76Å; E19-R22 PolarHBondContact OE2-NE 3.04Å; E19-R22 IonicContact OE2-NH2 3.98Å; E19-R22 PolarHBondContact OE2-NH2 3.14Å; E19-L23 HydrophobicContact CG-CD1 4.06Å; E19-L23 WeakPolarHBondContact O-CB 3.31Å; E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 3.39Å
20V85.4Confident79.6Confident2 Ų255 Ų551%0.01229%0.288CS..Hα-helixtrans-64.2-40.1176.1179.60000110.7L16 L23 F24 L53 L56 L57 F63 L75 F79L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 2.89Å; V20-L23 PolarHBondContact O-N 2.86Å; V20-F24 WeakPolarHBondContact O-CB 3.41Å; V20-F24 PolarHBondContact O-N 3.09Å; V20-L53 HydrophobicContact CG1-CD1 3.66Å; V20-L56 HydrophobicContact CG1-CD2 4.16Å; V20-L57 HydrophobicContact CG1-CD2 4.3Å; V20-L57 HydrophobicContact CG2-CD2 4.22Å; V20-F63 HydrophobicContact CG2-CE2 3.8Å; V20-F63 HydrophobicContact CG2-CZ 4.11Å; V20-L75 HydrophobicContact CG1-CD2 4.3Å; V20-F79 HydrophobicContact CG1-CZ 4.12Å
21T84.6Confident80.6Confident1 Ų158.6 Ų58.61%0.00629%0.289CS..Hα-helixtrans-61.3-44.5175-610000111.9W17 E19 R25 V84 L112W17-T21 WeakPolarHBondContact O-CB 3.26Å; W17-T21 PolarHBondContact O-N 2.83Å; W17-T21 PolarHBondContact O-OG1 3.37Å; E19-T21 VanDerWaalsContact C-N 3.33Å; E19-T21 PolarHBondContact O-N 3.19Å; T21-R25 PolarHBondContact O-N 2.83Å; T21-V84 HydrophobicContact CG2-CG1 3.88Å; T21-V84 HydrophobicContact CG2-CG2 4.1Å; T21-L112 HydrophobicContact CG2-CD1 4.34Å; T21-L112 HydrophobicContact CG2-CD2 4.12Å; T21-L112 HydrophobicContact CG2-CG 4.36Å
22R83.8Confident80.8Confident127 Ų12759 Ų5948%0.47929%0.294SS..Hα-helixtrans-62.4-48.3178.3-177-173.373.283.1-3.2111.5N18 E19 A26N18-R22 WeakPolarHBondContact O-CB 3.37Å; N18-R22 PolarHBondContact O-N 2.84Å; E19-R22 PolarHBondContact O-N 3.4Å; E19-R22 IonicContact OE1-CZ 3.18Å; E19-R22 IonicContact OE1-NE 2.67Å; E19-R22 IonicContact OE1-NH2 2.72Å; E19-R22 PolarHBondContact OE1-NH2 2.88Å; E19-R22 IonicContact OE2-CZ 3.92Å; E19-R22 VanDerWaalsContact OE2-CZ 3.27Å; E19-R22 IonicContact OE2-NE 2.76Å; E19-R22 PolarHBondContact OE2-NE 3.04Å; E19-R22 IonicContact OE2-NH2 3.98Å; E19-R22 PolarHBondContact OE2-NH2 3.14Å; R22-A26 WeakPolarHBondContact O-CB 3.43Å; R22-A26 PolarHBondContact O-N 3.35Å; R22-A26 VanDerWaalsContact O-N 3.16Å
23L82.8Confident80.6Confident48 Ų4858.6 Ų58.625%0.25130%0.295SS..Hα-helixtrans-66.8-41.6179.5-67.9172000111.5E19 V20 A26 G27 W52 L56E19-L23 HydrophobicContact CG-CD1 4.06Å; E19-L23 WeakPolarHBondContact O-CB 3.31Å; E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 3.39Å; V20-L23 PolarHBondContact O-N 2.86Å; L23-A26 PolarHBondContact O-N 3.08Å; L23-G27 PolarHBondContact O-N 3.49Å; L23-W52 WeakPolarHBondContact O-CH2 3.38Å; L23-L56 HydrophobicContact CB-CD1 4.12Å; L23-L56 HydrophobicContact CB-CD2 3.73Å; L23-L56 HydrophobicContact CD1-CD1 4.06Å
24F87.1Confident80.4Confident0 Ų066.4 Ų66.40%032%0.323CS..Hα-helixtrans-61.8-45.7176.6-176.8-100.5000112.7V20 A26 M28 A49 W52 L53 L76 F79 I85 F106V20-F24 WeakPolarHBondContact O-CB 3.41Å; V20-F24 PolarHBondContact O-N 3.09Å; F24-A26 VanDerWaalsContact C-N 3.28Å; F24-A26 PolarHBondContact O-N 3.14Å; F24-M28 HydrophobicContact CD2-CB 4.49Å; F24-M28 HydrophobicContact CE2-CB 4.38Å; F24-M28 HydrophobicContact CE2-CG 4.28Å; F24-M28 HydrophobicContact CE2-SD 4.33Å; F24-M28 HydrophobicContact CZ-CG 4.3Å; F24-M28 WeakPolarHBondContact O-CB 3.48Å; F24-M28 PolarHBondContact O-N 3.41Å; F24-A49 HydrophobicContact CE2-CB 4.18Å; F24-A49 HydrophobicContact CZ-CB 3.98Å; F24-W52 HydrophobicContact CB-CZ3 4.08Å; F24-W52 AromaticContact CD2-CE3 3.65Å; F24-W52 HydrophobicContact CD2-CE3 3.65Å; F24-W52 AromaticContact CD2-CZ3 3.71Å; F24-W52 HydrophobicContact CD2-CZ3 3.71Å; F24-W52 HydrophobicContact CE2-CE3 4.2Å; F24-W52 HydrophobicContact CG-CZ3 4.32Å; F24-L53 HydrophobicContact CD2-CB 4.15Å; F24-L53 HydrophobicContact CD2-CD1 3.96Å; F24-L53 HydrophobicContact CD2-CG 4.46Å; F24-L53 HydrophobicContact CE2-CB 4.12Å; F24-L76 HydrophobicContact CE2-CD1 4.46Å; F24-L76 HydrophobicContact CZ-CD1 3.96Å; F24-F79 HydrophobicContact CB-CE2 4.02Å; F24-F79 AromaticContact CD1-CD2 3.84Å; F24-F79 HydrophobicContact CD1-CD2 3.84Å; F24-F79 AromaticContact CD1-CE2 3.69Å; F24-F79 HydrophobicContact CD1-CE2 3.69Å; F24-F79 HydrophobicContact CD2-CE2 4.45Å; F24-F79 AromaticContact CE1-CD2 3.98Å; F24-F79 HydrophobicContact CE1-CD2 3.98Å; F24-F79 HydrophobicContact CE1-CE2 4.27Å; F24-F79 HydrophobicContact CG-CD2 4.35Å; F24-F79 AromaticContact CG-CE2 3.81Å; F24-F79 HydrophobicContact CG-CE2 3.81Å; F24-I85 HydrophobicContact CE1-CG2 3.75Å; F24-I85 HydrophobicContact CZ-CG2 4.47Å; F24-F106 AromaticContact CD1-CE1 3.68Å; F24-F106 HydrophobicContact CD1-CE1 3.68Å; F24-F106 AromaticContact CD1-CZ 3.83Å; F24-F106 HydrophobicContact CD1-CZ 3.83Å; F24-F106 AromaticContact CE1-CE1 3.5Å; F24-F106 HydrophobicContact CE1-CE1 3.5Å; F24-F106 VanDerWaalsContact CE1-CE1 3.5Å; F24-F106 AromaticContact CE1-CZ 3.61Å; F24-F106 HydrophobicContact CE1-CZ 3.61Å; F24-F106 HydrophobicContact CZ-CZ 4.32Å
25R81.5Confident79.9Confident55 Ų5568.1 Ų68.121%0.20833%0.328CS..Hα-helixtrans-64.2-29.7175.2-113.7-173.9164.478.41.1113.7T21 V84 F106 P107T21-R25 PolarHBondContact O-N 2.83Å; R25-V84 PolarHBondContact NH1-O 3.46Å; R25-F106 HydrophobicContact CG-CD1 3.76Å; R25-F106 HydrophobicContact CG-CE1 3.77Å; R25-F106 HydrophobicContact CG-CG 4.42Å; R25-F106 HydrophobicContact CG-CZ 4.44Å; R25-P107 PolarHBondContact NH2-O 3.3Å
26A79.1Confident78.9Confident86 Ų8668.8 Ų68.871%0.71134%0.337SS*.Hα-helixtrans-89.5-29.5-176.100000114R22 L23 F24R22-A26 WeakPolarHBondContact O-CB 3.43Å; R22-A26 PolarHBondContact O-N 3.35Å; R22-A26 VanDerWaalsContact O-N 3.16Å; L23-A26 PolarHBondContact O-N 3.08Å; F24-A26 VanDerWaalsContact C-N 3.28Å; F24-A26 PolarHBondContact O-N 3.14Å
27G77.8Confident78Confident36 Ų3676.1 Ų76.137%0.37138%0.375SS..Hα-helixtrans-112.1-15.7-170.700000116.4L23 P29 W52L23-G27 PolarHBondContact O-N 3.49Å; G27-P29 WeakPolarHBondContact O-CD 3.26Å; G27-W52 PolarHBondContact O-NE1 2.75Å; G27-W52 VanDerWaalsContact O-NE1 3.15Å
28M83.7Confident77.1Confident13 Ų1383.2 Ų83.26%0.06440%0.402CS..SBendtrans-69.2118.5-179179.160.7-160.700111.5F24 V30 F44 A48 A49 W52 F106F24-M28 HydrophobicContact CD2-CB 4.49Å; F24-M28 HydrophobicContact CE2-CB 4.38Å; F24-M28 HydrophobicContact CE2-CG 4.28Å; F24-M28 HydrophobicContact CE2-SD 4.33Å; F24-M28 HydrophobicContact CZ-CG 4.3Å; F24-M28 WeakPolarHBondContact O-CB 3.48Å; F24-M28 PolarHBondContact O-N 3.41Å; M28-V30 PolarHBondContact O-N 3.13Å; M28-V30 VanDerWaalsContact O-N 3.08Å; M28-F44 HydrophobicContact CE-CB 3.62Å; M28-F44 HydrophobicContact CE-CD2 4.07Å; M28-F44 HydrophobicContact CE-CG 3.85Å; M28-F44 HydrophobicContact CG-CD1 4.44Å; M28-A48 HydrophobicContact CE-CB 4.21Å; M28-A49 HydrophobicContact CE-CB 4.04Å; M28-A49 HydrophobicContact SD-CB 4.36Å; M28-W52 HydrophobicContact CB-CD2 4.47Å; M28-W52 HydrophobicContact SD-CB 3.63Å; M28-W52 HydrophobicContact SD-CD2 4.16Å; M28-W52 HydrophobicContact SD-CG 3.74Å; M28-F106 HydrophobicContact CB-CE2 4.07Å; M28-F106 HydrophobicContact CB-CZ 3.9Å; M28-F106 HydrophobicContact CG-CE2 4.22Å; M28-F106 HydrophobicContact CG-CZ 4.17Å
29P74.9Confident76.5Confident69 Ų6987.8 Ų87.845%0.44842%0.421SS..  trans-74.5102.2-176.628.9-35.3000112.3G27G27-P29 WeakPolarHBondContact O-CD 3.26Å
30V81.1Confident75.9Confident65 Ų6587.7 Ų87.739%0.39442%0.421SS..  trans-71.2140.6170.4-58.50000111.4M28 F44 F106M28-V30 PolarHBondContact O-N 3.13Å; M28-V30 VanDerWaalsContact O-N 3.08Å; V30-F44 HydrophobicContact CG1-CD1 4.14Å; V30-F106 HydrophobicContact CG1-CD2 3.91Å; V30-F106 HydrophobicContact CG1-CE2 3.99Å
31R74.5Confident74.8Confident176 Ų17690.6 Ų90.666%0.66445%0.445SS*.EExtended strand (participates in β ladder)trans-126.3169.8179.5-66.3-176.2178-175.3-0.4111.1S42 C43R31-S42 PolarHBondContact O-N 3.46Å; R31-C43 PolarHBondContact N-O 3.5Å; R31-C43 PolarHBondContact O-N 2.96Å; R31-C43 VanDerWaalsContact O-O 3.09Å
32K76.7Confident74.3Confident184 Ų18494.1 Ų94.180%0.847%0.469SS*.EExtended strand (participates in β ladder)trans-89.5124.1166.3-67.8-177.7-179.8179.30108H40K32-H40 WeakPolarHBondContact CA-O 3.13Å
33H74.2Confident74.2Confident51 Ų5188.2 Ų88.224%0.23645%0.448CS..EExtended strand (participates in β ladder)trans-115.4147.3176.2-72.5-94.9000110.1H40 L103H33-H40 PolarHBondContact N-O 3.4Å; H33-H40 PolarHBondContact O-N 3.45Å; H33-L103 HydrophobicContact CB-CD1 3.64Å; H33-L103 HydrophobicContact CB-CD2 4.02Å
34W72.6Confident74.4Confident171 Ų17186.1 Ų86.165%0.64844%0.436SS*.EExtended strand (participates in β ladder)trans-112.6121.6173-173.952.6000108.1L37 H39W34-L37 HydrophobicContact CZ2-CD2 4.15Å; W34-H39 AromaticContact CD1-CE1 3.42Å; W34-H39 VanDerWaalsContact CD1-CE1 3.42Å; W34-H39 AromaticContact CD1-ND1 3.5Å; W34-H39 AromaticContact CD1-NE2 3.89Å; W34-H39 AromaticContact CG-CE1 3.81Å; W34-H39 AromaticContact CG-ND1 3.94Å; W34-H39 AromaticContact NE1-CE1 3.97Å
35Q67Low74.4Confident82 Ų8287.5 Ų87.538%0.38345%0.445SS..EExtended strand (participates in β ladder)trans-152.5144.8-178.8-163.2174.638.900108.8L37 R38 L103Q35-L37 PolarHBondContact O-N 3.15Å; Q35-R38 PolarHBondContact N-O 2.92Å; Q35-R38 VanDerWaalsContact N-O 3.1Å; Q35-R38 PolarHBondContact O-N 3.19Å; Q35-R38 VanDerWaalsContact O-O 3.07Å; Q35-L103 HydrophobicContact CB-CD1 4.19Å; Q35-L103 VanDerWaalsContact OE1-CD1 3.31Å
36N57.8Low74.7Confident132 Ų13284.9 Ų84.971%0.70644%0.435SS*.THydrogen-bonded Turntrans49.943.1179.4-57.3-15.2000113.3R38N36-R38 PolarHBondContact O-N 3.48Å; N36-R38 VanDerWaalsContact O-N 3.09Å
37L63.6Low75Confident154 Ų15481.4 Ų81.481%0.80641%0.407SS*.THydrogen-bonded Turntrans59.610.4-176.3-55.8174.6000115.6W34 Q35W34-L37 HydrophobicContact CZ2-CD2 4.15Å; Q35-L37 PolarHBondContact O-N 3.15Å
38R64.9Low75.4Confident184 Ų18481.6 Ų81.669%0.69440%0.404SS*.EExtended strand (participates in β ladder)trans-116.2143.8-179.8-65.9-177.5-177.9-128.2-1.2111.5Q35 N36Q35-R38 PolarHBondContact N-O 2.92Å; Q35-R38 VanDerWaalsContact N-O 3.1Å; Q35-R38 PolarHBondContact O-N 3.19Å; Q35-R38 VanDerWaalsContact O-O 3.07Å; N36-R38 PolarHBondContact O-N 3.48Å; N36-R38 VanDerWaalsContact O-N 3.09Å
39H71.2Confident75.7Confident157 Ų15781 Ų8173%0.72740%0.401SS*.EExtended strand (participates in β ladder)trans-88.6119.5172.7-70.9-67.5000110.1W34W34-H39 AromaticContact CD1-CE1 3.42Å; W34-H39 VanDerWaalsContact CD1-CE1 3.42Å; W34-H39 AromaticContact CD1-ND1 3.5Å; W34-H39 AromaticContact CD1-NE2 3.89Å; W34-H39 AromaticContact CG-CE1 3.81Å; W34-H39 AromaticContact CG-ND1 3.94Å; W34-H39 AromaticContact NE1-CE1 3.97Å
40H69.3Low76.3Confident48 Ų4877.7 Ų77.722%0.22238%0.38CS..EExtended strand (participates in β ladder)trans-106.1112.1176.7-67.7-75.2000109.1K32 H33 V88K32-H40 WeakPolarHBondContact CA-O 3.13Å; H33-H40 PolarHBondContact N-O 3.4Å; H33-H40 PolarHBondContact O-N 3.45Å; H40-V88 WeakPolarHBondContact CE1-CG1 3.32Å; H40-V88 VanDerWaalsContact ND1-CG1 3.26Å; H40-V88 WeakPolarHBondContact ND1-CG1 3.37Å
41A62.8Low76.7Confident63 Ų6377.7 Ų77.752%0.52138%0.378SS..EExtended strand (participates in β ladder)trans-88.5152.2177.700000111.2C43A41-C43 VanDerWaalsContact C-N 3.32Å; A41-C43 PolarHBondContact O-N 3.47Å; A41-C43 PolarHBondContact O-SG 3.31Å
42S75Confident77.4Confident75 Ų7572 Ų7252%0.52436%0.357SS..EExtended strand (participates in β ladder)trans56.540.7177.7-54.30000114.3R31R31-S42 PolarHBondContact O-N 3.46Å
43C81.8Confident77.9Confident3 Ų363.3 Ų63.32%0.0232%0.318CS..EExtended strand (participates in β ladder)trans-117.8165.4-178.4-61.90000111.4R31 A41 V88 F104R31-C43 PolarHBondContact N-O 3.5Å; R31-C43 PolarHBondContact O-N 2.96Å; R31-C43 VanDerWaalsContact O-O 3.09Å; A41-C43 VanDerWaalsContact C-N 3.32Å; A41-C43 PolarHBondContact O-N 3.47Å; A41-C43 PolarHBondContact O-SG 3.31Å; C43-V88 HydrophobicContact CB-CG2 4.28Å; C43-F104 CarbonylContact C-O 3.53Å; C43-F104 VanDerWaalsContact CA-O 3.26Å; C43-F104 WeakPolarHBondContact CA-O 3.37Å
44F86.4Confident78.6Confident4 Ų462.5 Ų62.52%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-147.7155.4176.149.8-91.1000110.7M28 V30 A49 I85 L103 F104 F106M28-F44 HydrophobicContact CE-CB 3.62Å; M28-F44 HydrophobicContact CE-CD2 4.07Å; M28-F44 HydrophobicContact CE-CG 3.85Å; M28-F44 HydrophobicContact CG-CD1 4.44Å; V30-F44 HydrophobicContact CG1-CD1 4.14Å; F44-A49 HydrophobicContact CD2-CB 3.68Å; F44-A49 HydrophobicContact CE2-CB 3.75Å; F44-I85 HydrophobicContact CZ-CB 4.48Å; F44-I85 HydrophobicContact CZ-CG2 3.86Å; F44-L103 WeakPolarHBondContact O-CA 3.34Å; F44-F104 HydrophobicContact CD2-CB 4.15Å; F44-F104 HydrophobicContact CE2-CB 3.61Å; F44-F104 HydrophobicContact CZ-CB 3.95Å; F44-F104 PolarHBondContact N-O 3.25Å; F44-F104 PolarHBondContact O-N 2.78Å; F44-F106 HydrophobicContact CD1-CE2 4.37Å; F44-F106 AromaticContact CE1-CD2 3.84Å; F44-F106 HydrophobicContact CE1-CD2 3.84Å; F44-F106 AromaticContact CE1-CE2 3.67Å; F44-F106 HydrophobicContact CE1-CE2 3.67Å; F44-F106 HydrophobicContact CE1-CG 4.33Å; F44-F106 HydrophobicContact CE1-CZ 4.02Å; F44-F106 HydrophobicContact CZ-CE1 4.49Å; F44-F106 HydrophobicContact CZ-CE2 4.36Å; F44-F106 HydrophobicContact CZ-CZ 4.27Å
45T86.9Confident79.2Confident30 Ų3060.4 Ų60.418%0.18431%0.312CS..EExtended strand (participates in β ladder)trans-77.4149.3171.648.60000111.2A47 A48 A49 M102 L103T45-A47 VanDerWaalsContact C-N 3.33Å; T45-A47 PolarHBondContact O-N 3.37Å; T45-A48 PolarHBondContact O-N 3.22Å; T45-A48 VanDerWaalsContact OG1-CB 3.31Å; T45-A48 WeakPolarHBondContact OG1-CB 3.41Å; T45-A49 PolarHBondContact O-N 2.89Å; T45-A49 VanDerWaalsContact O-N 3.14Å; T45-M102 CarbonylContact C-O 3.52Å; T45-M102 WeakPolarHBondContact CA-O 3.45Å; T45-L103 HydrophobicContact CG2-CD2 3.73Å
46A87Confident80Confident0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-56-47.8177.300000111.4A48 A49 V50 L97 E98 N100 M102 F104A46-A48 PolarHBondContact O-N 3.15Å; A46-A49 CarbonylContact O-C 3.59Å; A46-A49 WeakPolarHBondContact O-CA 3.41Å; A46-A49 WeakPolarHBondContact O-CB 3.17Å; A46-A49 PolarHBondContact O-N 3.27Å; A46-V50 WeakPolarHBondContact O-CG2 3.3Å; A46-V50 PolarHBondContact O-N 3.14Å; A46-L97 HydrophobicContact CB-CD2 4.28Å; A46-E98 WeakPolarHBondContact CB-O 3.21Å; A46-N100 VanDerWaalsContact CB-O 3.29Å; A46-N100 WeakPolarHBondContact CB-O 3.21Å; A46-M102 PolarHBondContact N-O 3.24Å; A46-F104 HydrophobicContact CB-CD2 3.98Å; A46-F104 HydrophobicContact CB-CE2 3.79Å
47A86.1Confident81.3Confident13 Ų1351.4 Ų51.411%0.10727%0.267CS..Hα-helixtrans-54.1-46176.400000113.4T45 A49 V50 D51 D99 N100T45-A47 VanDerWaalsContact C-N 3.33Å; T45-A47 PolarHBondContact O-N 3.37Å; A47-A49 VanDerWaalsContact C-N 3.29Å; A47-A49 PolarHBondContact O-N 2.85Å; A47-V50 WeakPolarHBondContact O-CB 3.35Å; A47-V50 PolarHBondContact O-N 2.68Å; A47-V50 VanDerWaalsContact O-N 3.11Å; A47-D51 PolarHBondContact O-N 3.27Å; A47-D99 VanDerWaalsContact CA-OD1 3.31Å; A47-D99 WeakPolarHBondContact CA-OD1 3.35Å; A47-N100 PolarHBondContact N-O 2.67Å
48A86.6Confident82.1Confident39 Ų3947.5 Ų47.532%0.32224%0.244SC..Hα-helixtrans-65.6-31.2177.900000113M28 T45 A46 W52M28-A48 HydrophobicContact CE-CB 4.21Å; T45-A48 PolarHBondContact O-N 3.22Å; T45-A48 VanDerWaalsContact OG1-CB 3.31Å; T45-A48 WeakPolarHBondContact OG1-CB 3.41Å; A46-A48 PolarHBondContact O-N 3.15Å; A48-W52 WeakPolarHBondContact O-CB 3.47Å; A48-W52 PolarHBondContact O-N 2.91Å; A48-W52 VanDerWaalsContact O-N 3.09Å
49A89.4Confident82.8Confident0 Ų042.6 Ų42.60%024%0.238CC..Hα-helixtrans-72.5-35.317200000112.5F24 M28 F44 T45 A46 A47 L53 L76F24-A49 HydrophobicContact CE2-CB 4.18Å; F24-A49 HydrophobicContact CZ-CB 3.98Å; M28-A49 HydrophobicContact CE-CB 4.04Å; M28-A49 HydrophobicContact SD-CB 4.36Å; F44-A49 HydrophobicContact CD2-CB 3.68Å; F44-A49 HydrophobicContact CE2-CB 3.75Å; T45-A49 PolarHBondContact O-N 2.89Å; T45-A49 VanDerWaalsContact O-N 3.14Å; A46-A49 CarbonylContact O-C 3.59Å; A46-A49 WeakPolarHBondContact O-CA 3.41Å; A46-A49 WeakPolarHBondContact O-CB 3.17Å; A46-A49 PolarHBondContact O-N 3.27Å; A47-A49 VanDerWaalsContact C-N 3.29Å; A47-A49 PolarHBondContact O-N 2.85Å; A49-L53 WeakPolarHBondContact O-CB 3.48Å; A49-L53 PolarHBondContact O-N 3.09Å; A49-L76 HydrophobicContact CB-CD1 4.4Å; A49-L76 HydrophobicContact CB-CD2 3.97Å
50V88.4Confident83.1Confident0 Ų036.2 Ų36.20%021%0.209CC..Hα-helixtrans-63.5-51.8171.7174.20000109.8A46 A47 W52 L53 H54 R69 T72 V73 L76A46-V50 WeakPolarHBondContact O-CG2 3.3Å; A46-V50 PolarHBondContact O-N 3.14Å; A47-V50 WeakPolarHBondContact O-CB 3.35Å; A47-V50 PolarHBondContact O-N 2.68Å; A47-V50 VanDerWaalsContact O-N 3.11Å; V50-W52 PolarHBondContact O-N 3.28Å; V50-L53 PolarHBondContact O-N 3.49Å; V50-H54 WeakPolarHBondContact O-CB 3.47Å; V50-H54 PolarHBondContact O-N 2.83Å; V50-R69 HydrophobicContact CG1-CG 3.65Å; V50-T72 HydrophobicContact CG1-CG2 4.29Å; V50-V73 HydrophobicContact CG1-CG2 3.93Å; V50-V73 HydrophobicContact CG2-CG2 3.74Å; V50-L76 HydrophobicContact CG2-CD2 3.6Å
51D87.8Confident83.2Confident66 Ų6637 Ų3735%0.35322%0.221SC..Hα-helixtrans-53.4-50.1177.2-73.4-48.9000112.3A47 H54 Q55 R69A47-D51 PolarHBondContact O-N 3.27Å; D51-H54 PolarHBondContact O-N 3.34Å; D51-Q55 WeakPolarHBondContact O-CG 3.48Å; D51-Q55 PolarHBondContact O-N 3.18Å; D51-Q55 VanDerWaalsContact O-N 3.13Å; D51-R69 IonicContact OD1-CZ 2.65Å; D51-R69 IonicContact OD1-NH1 2.67Å; D51-R69 PolarHBondContact OD1-NH1 2.97Å; D51-R69 IonicContact OD1-NH2 3.37Å; D51-R69 PolarHBondContact OD1-NH2 2.9Å; D51-R69 IonicContact OD2-NH2 3.24Å
52W89.2Confident83.6Confident57 Ų5734.9 Ų34.922%0.21620%0.201CC..Hα-helixtrans-68.4-43.7-178.7-170.798.1000112.4L23 F24 G27 M28 A48 V50 H54 Q55 L56L23-W52 WeakPolarHBondContact O-CH2 3.38Å; F24-W52 HydrophobicContact CB-CZ3 4.08Å; F24-W52 AromaticContact CD2-CE3 3.65Å; F24-W52 HydrophobicContact CD2-CE3 3.65Å; F24-W52 AromaticContact CD2-CZ3 3.71Å; F24-W52 HydrophobicContact CD2-CZ3 3.71Å; F24-W52 HydrophobicContact CE2-CE3 4.2Å; F24-W52 HydrophobicContact CG-CZ3 4.32Å; G27-W52 PolarHBondContact O-NE1 2.75Å; G27-W52 VanDerWaalsContact O-NE1 3.15Å; M28-W52 HydrophobicContact CB-CD2 4.47Å; M28-W52 HydrophobicContact SD-CB 3.63Å; M28-W52 HydrophobicContact SD-CD2 4.16Å; M28-W52 HydrophobicContact SD-CG 3.74Å; A48-W52 WeakPolarHBondContact O-CB 3.47Å; A48-W52 PolarHBondContact O-N 2.91Å; A48-W52 VanDerWaalsContact O-N 3.09Å; V50-W52 PolarHBondContact O-N 3.28Å; W52-H54 VanDerWaalsContact C-N 3.3Å; W52-H54 PolarHBondContact O-N 3.3Å; W52-Q55 PolarHBondContact O-N 2.94Å; W52-L56 HydrophobicContact CE3-CB 4.32Å; W52-L56 HydrophobicContact CH2-CB 4.2Å; W52-L56 HydrophobicContact CH2-CD1 4.22Å; W52-L56 HydrophobicContact CH2-CD2 3.83Å; W52-L56 HydrophobicContact CH2-CG 4.29Å; W52-L56 HydrophobicContact CZ3-CB 3.84Å; W52-L56 HydrophobicContact CZ3-CD2 3.56Å; W52-L56 HydrophobicContact CZ3-CG 4.17Å; W52-L56 PolarHBondContact O-N 3.29Å
53L88.4Confident83.6Confident0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-68.3-32178.7-176.760.5000111.6V20 F24 A49 V50 L56 L57 T72 L75 L76 F79V20-L53 HydrophobicContact CG1-CD1 3.66Å; F24-L53 HydrophobicContact CD2-CB 4.15Å; F24-L53 HydrophobicContact CD2-CD1 3.96Å; F24-L53 HydrophobicContact CD2-CG 4.46Å; F24-L53 HydrophobicContact CE2-CB 4.12Å; A49-L53 WeakPolarHBondContact O-CB 3.48Å; A49-L53 PolarHBondContact O-N 3.09Å; V50-L53 PolarHBondContact O-N 3.49Å; L53-L56 HydrophobicContact CD1-CD2 4.26Å; L53-L56 PolarHBondContact O-N 3.16Å; L53-L57 HydrophobicContact CD1-CG 4.48Å; L53-L57 HydrophobicContact CG-CD1 4.23Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.1Å; L53-L57 PolarHBondContact O-N 3.1Å; L53-T72 HydrophobicContact CB-CG2 3.75Å; L53-T72 HydrophobicContact CD2-CG2 3.92Å; L53-T72 HydrophobicContact CG-CG2 3.74Å; L53-L75 HydrophobicContact CD2-CD2 4.25Å; L53-L75 HydrophobicContact CD2-CG 4.45Å; L53-L76 HydrophobicContact CD2-CB 4.44Å; L53-L76 HydrophobicContact CD2-CD1 4.24Å; L53-F79 HydrophobicContact CD2-CE2 4.41Å
54H87.6Confident82.9Confident34 Ų3433 Ų3316%0.15719%0.187CC..Hα-helixtrans-64.5-49175.3-17268.7000110.5V50 D51 W52 L56 L57 Q58 V67 T68 R69 T72V50-H54 WeakPolarHBondContact O-CB 3.47Å; V50-H54 PolarHBondContact O-N 2.83Å; D51-H54 PolarHBondContact O-N 3.34Å; W52-H54 VanDerWaalsContact C-N 3.3Å; W52-H54 PolarHBondContact O-N 3.3Å; H54-L56 VanDerWaalsContact C-N 3.34Å; H54-L56 PolarHBondContact O-N 3.15Å; H54-L57 PolarHBondContact O-N 2.97Å; H54-Q58 PolarHBondContact CE1-NE2 2.96Å; H54-Q58 PolarHBondContact NE2-NE2 3.39Å; H54-Q58 VanDerWaalsContact NE2-NE2 3.14Å; H54-Q58 WeakPolarHBondContact O-CG 3.49Å; H54-Q58 PolarHBondContact O-N 3.11Å; H54-V67 PolarHBondContact CE1-O 2.92Å; H54-T68 VanDerWaalsContact CE1-C 3.49Å; H54-R69 PolarHBondContact CE1-N 2.91Å; H54-R69 VanDerWaalsContact CE1-N 3.3Å; H54-T72 HydrophobicContact CB-CG2 4.03Å; H54-T72 PolarHBondContact ND1-OG1 2.72Å; H54-T72 VanDerWaalsContact ND1-OG1 3.11Å
55Q85.3Confident82.1Confident127 Ų12737.7 Ų37.759%0.59322%0.218SC*.Hα-helixtrans-59.9-41.8173.4-70.21772.100112.1D51 W52 L57 Q58 S59D51-Q55 WeakPolarHBondContact O-CG 3.48Å; D51-Q55 PolarHBondContact O-N 3.18Å; D51-Q55 VanDerWaalsContact O-N 3.13Å; W52-Q55 PolarHBondContact O-N 2.94Å; Q55-L57 PolarHBondContact O-N 3.37Å; Q55-Q58 PolarHBondContact O-N 3.09Å; Q55-S59 VanDerWaalsContact O-CB 3.3Å; Q55-S59 WeakPolarHBondContact O-CB 3.35Å; Q55-S59 PolarHBondContact O-N 2.89Å; Q55-S59 PolarHBondContact O-OG 3.3Å
56L84.7Confident81.3Confident24 Ų2444.4 Ų44.413%0.12625%0.247CC..Hα-helixtrans-59.3-48.1175.6179.767.5000111.5V20 L23 W52 L53 H54 S59 N60V20-L56 HydrophobicContact CG1-CD2 4.16Å; L23-L56 HydrophobicContact CB-CD1 4.12Å; L23-L56 HydrophobicContact CB-CD2 3.73Å; L23-L56 HydrophobicContact CD1-CD1 4.06Å; W52-L56 HydrophobicContact CE3-CB 4.32Å; W52-L56 HydrophobicContact CH2-CB 4.2Å; W52-L56 HydrophobicContact CH2-CD1 4.22Å; W52-L56 HydrophobicContact CH2-CD2 3.83Å; W52-L56 HydrophobicContact CH2-CG 4.29Å; W52-L56 HydrophobicContact CZ3-CB 3.84Å; W52-L56 HydrophobicContact CZ3-CD2 3.56Å; W52-L56 HydrophobicContact CZ3-CG 4.17Å; W52-L56 PolarHBondContact O-N 3.29Å; L53-L56 HydrophobicContact CD1-CD2 4.26Å; L53-L56 PolarHBondContact O-N 3.16Å; H54-L56 VanDerWaalsContact C-N 3.34Å; H54-L56 PolarHBondContact O-N 3.15Å; L56-S59 PolarHBondContact O-N 3.36Å; L56-S59 PolarHBondContact O-OG 3.23Å; L56-N60 WeakPolarHBondContact O-CB 3.31Å; L56-N60 PolarHBondContact O-N 2.96Å
57L84.3Confident81Confident1 Ų144.7 Ų44.71%0.00525%0.249CC..Hα-helixtrans-63.8-45.3-179.6-69.9167.7000111.5V20 L53 H54 Q55 S59 N60 F63 V67 T72 L75V20-L57 HydrophobicContact CG1-CD2 4.3Å; V20-L57 HydrophobicContact CG2-CD2 4.22Å; L53-L57 HydrophobicContact CD1-CG 4.48Å; L53-L57 HydrophobicContact CG-CD1 4.23Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.1Å; L53-L57 PolarHBondContact O-N 3.1Å; H54-L57 PolarHBondContact O-N 2.97Å; Q55-L57 PolarHBondContact O-N 3.37Å; L57-S59 VanDerWaalsContact C-N 3.35Å; L57-S59 PolarHBondContact O-N 3.16Å; L57-N60 PolarHBondContact O-N 3.26Å; L57-N60 VanDerWaalsContact O-N 3.17Å; L57-F63 HydrophobicContact CD2-CD2 3.73Å; L57-F63 HydrophobicContact CD2-CE1 4.48Å; L57-F63 HydrophobicContact CD2-CE2 3.65Å; L57-F63 HydrophobicContact CD2-CG 4.19Å; L57-F63 HydrophobicContact CD2-CZ 4.04Å; L57-V67 HydrophobicContact CB-CG1 4.22Å; L57-V67 HydrophobicContact CB-CG2 4.41Å; L57-V67 HydrophobicContact CD1-CG1 4.05Å; L57-T72 HydrophobicContact CD1-CG2 4.26Å; L57-L75 HydrophobicContact CD1-CD2 4.05Å; L57-L75 HydrophobicContact CD2-CD2 4.28Å
58Q81.8Confident80.9Confident72 Ų7247.2 Ų47.234%0.33626%0.264SS..Hα-helixtrans-64-36.4177.4-71177.3-30.500113.1H54 Q55 N60H54-Q58 PolarHBondContact CE1-NE2 2.96Å; H54-Q58 PolarHBondContact NE2-NE2 3.39Å; H54-Q58 VanDerWaalsContact NE2-NE2 3.14Å; H54-Q58 WeakPolarHBondContact O-CG 3.49Å; H54-Q58 PolarHBondContact O-N 3.11Å; Q55-Q58 PolarHBondContact O-N 3.09Å; Q58-N60 PolarHBondContact O-N 3.44Å
59S78.6Confident80.9Confident82 Ų8249.6 Ų49.657%0.57326%0.264SS*.Hα-helixtrans-70.3-16.9176.475.60000113.9Q55 L56 L57Q55-S59 VanDerWaalsContact O-CB 3.3Å; Q55-S59 WeakPolarHBondContact O-CB 3.35Å; Q55-S59 PolarHBondContact O-N 2.89Å; Q55-S59 PolarHBondContact O-OG 3.3Å; L56-S59 PolarHBondContact O-N 3.36Å; L56-S59 PolarHBondContact O-OG 3.23Å; L57-S59 VanDerWaalsContact C-N 3.35Å; L57-S59 PolarHBondContact O-N 3.16Å
60N77.6Confident80.6Confident22 Ų2256.9 Ų56.912%0.11830%0.298CS..SBendtrans-92.8116-174.1-175.5-22.4000110.5L56 L57 Q58 N62 F63 G64L56-N60 WeakPolarHBondContact O-CB 3.31Å; L56-N60 PolarHBondContact O-N 2.96Å; L57-N60 PolarHBondContact O-N 3.26Å; L57-N60 VanDerWaalsContact O-N 3.17Å; Q58-N60 PolarHBondContact O-N 3.44Å; N60-N62 PolarHBondContact O-N 3.03Å; N60-N62 WeakPolarHBondContact OD1-CB 3.25Å; N60-N62 PolarHBondContact OD1-N 3Å; N60-N62 PolarHBondContact OD1-ND2 3.36Å; N60-F63 HydrophobicContact CB-CD2 4.11Å; N60-F63 PolarHBondContact O-N 3.29Å; N60-G64 PolarHBondContact O-N 3.28Å
61S71.8Confident80.3Confident66 Ų6659.6 Ų59.646%0.46231%0.311SS..THydrogen-bonded Turntrans-59.8-7.6-179.5600000115.3
62N72.2Confident80.3Confident18 Ų1856.4 Ų56.410%0.09629%0.294CS..THydrogen-bonded Turntrans-80-28.7171.5-65.9-88000113.1I6 L16 N60 L345I6-N62 PolarHBondContact N-OD1 3.17Å; L16-N62 HydrophobicContact CD2-CB 3.82Å; N60-N62 PolarHBondContact O-N 3.03Å; N60-N62 WeakPolarHBondContact OD1-CB 3.25Å; N60-N62 PolarHBondContact OD1-N 3Å; N60-N62 PolarHBondContact OD1-ND2 3.36Å; N62-L345 WeakPolarHBondContact O-CD2 3.13Å
63F74.7Confident80.3Confident20 Ų2054.7 Ų54.79%0.08829%0.29CS..THydrogen-bonded Turntrans-110.7-41.4-178-56.1-79.5000112.5L16 V20 L57 N60 V67 L341 L344 L345L16-F63 HydrophobicContact CB-CZ 4.31Å; L16-F63 HydrophobicContact CD2-CE1 4.49Å; L16-F63 HydrophobicContact CD2-CE2 4.06Å; L16-F63 HydrophobicContact CD2-CZ 3.8Å; L16-F63 HydrophobicContact CG-CZ 4.49Å; V20-F63 HydrophobicContact CG2-CE2 3.8Å; V20-F63 HydrophobicContact CG2-CZ 4.11Å; L57-F63 HydrophobicContact CD2-CD2 3.73Å; L57-F63 HydrophobicContact CD2-CE1 4.48Å; L57-F63 HydrophobicContact CD2-CE2 3.65Å; L57-F63 HydrophobicContact CD2-CG 4.19Å; L57-F63 HydrophobicContact CD2-CZ 4.04Å; N60-F63 HydrophobicContact CB-CD2 4.11Å; N60-F63 PolarHBondContact O-N 3.29Å; F63-V67 HydrophobicContact CB-CG2 3.8Å; F63-L341 HydrophobicContact CE1-CD2 4.06Å; F63-L341 HydrophobicContact CZ-CD2 4.04Å; F63-L344 HydrophobicContact CD1-CB 3.83Å; F63-L344 HydrophobicContact CD1-CD1 4.49Å; F63-L344 HydrophobicContact CE1-CB 4.17Å; F63-L344 HydrophobicContact CE1-CD1 4.43Å; F63-L345 HydrophobicContact CD1-CD2 3.9Å; F63-L345 HydrophobicContact CE1-CD2 4.19Å
64G66.4Low80Confident17 Ų1759.4 Ų59.418%0.17531%0.312CS..  trans76-178.4178.600000115N60 E66N60-G64 PolarHBondContact O-N 3.28Å; G64-E66 VanDerWaalsContact C-N 3.28Å; G64-E66 PolarHBondContact O-N 2.96Å
65P70.2Confident80.1Confident103 Ų10357.9 Ų57.967%0.66931%0.305SS*.THydrogen-bonded Turntrans-73.5-12.9-169.829.7-36.2000114.7V67P65-V67 PolarHBondContact O-N 2.95Å
66E68.9Low80.2Confident171 Ų17151.9 Ų51.980%0.79928%0.277SS*.THydrogen-bonded Turntrans-75.4-6.2-175.1-62.3-177167.300114.1G64 T68G64-E66 VanDerWaalsContact C-N 3.28Å; G64-E66 PolarHBondContact O-N 2.96Å; E66-T68 PolarHBondContact O-N 2.94Å
67V81Confident80.2Confident7 Ų753.4 Ų53.44%0.04228%0.282CS..  trans-63.5127.9175.4178.90000110.4H54 L57 F63 P65 Q71H54-V67 PolarHBondContact CE1-O 2.92Å; L57-V67 HydrophobicContact CB-CG1 4.22Å; L57-V67 HydrophobicContact CB-CG2 4.41Å; L57-V67 HydrophobicContact CD1-CG1 4.05Å; F63-V67 HydrophobicContact CB-CG2 3.8Å; P65-V67 PolarHBondContact O-N 2.95Å; V67-Q71 HydrophobicContact CG1-CB 4.43Å
68T85.1Confident80.2Confident66 Ų6655.4 Ų55.441%0.40529%0.291SS..  trans-89.4154.2178.466.60000112.7H54 E66 Q70 Q71 T72H54-T68 VanDerWaalsContact CE1-C 3.49Å; E66-T68 PolarHBondContact O-N 2.94Å; T68-Q70 PolarHBondContact O-N 3.32Å; T68-Q71 WeakPolarHBondContact O-CB 3.38Å; T68-Q71 PolarHBondContact O-N 3.43Å; T68-Q71 VanDerWaalsContact O-N 3.16Å; T68-Q71 VanDerWaalsContact OG1-CD 3.25Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.2Å; T68-Q71 PolarHBondContact OG1-N 3.5Å; T68-Q71 PolarHBondContact OG1-OE1 3.44Å; T68-T72 PolarHBondContact O-N 2.72Å; T68-T72 VanDerWaalsContact O-N 3.1Å; T68-T72 PolarHBondContact O-OG1 2.79Å
69R85.1Confident80.5Confident89 Ų8952 Ų5234%0.33628%0.275SS..Hα-helixtrans-57.9-35.9175.6-172.3177.6-179.6101.522.6112.5V50 D51 H54 T72 V73 D99V50-R69 HydrophobicContact CG1-CG 3.65Å; D51-R69 IonicContact OD1-CZ 2.65Å; D51-R69 IonicContact OD1-NH1 2.67Å; D51-R69 PolarHBondContact OD1-NH1 2.97Å; D51-R69 IonicContact OD1-NH2 3.37Å; D51-R69 PolarHBondContact OD1-NH2 2.9Å; D51-R69 IonicContact OD2-NH2 3.24Å; H54-R69 PolarHBondContact CE1-N 2.91Å; H54-R69 VanDerWaalsContact CE1-N 3.3Å; R69-T72 VanDerWaalsContact O-CB 3.31Å; R69-T72 WeakPolarHBondContact O-CB 3.47Å; R69-T72 PolarHBondContact O-N 3.08Å; R69-V73 WeakPolarHBondContact O-CG2 3.34Å; R69-V73 PolarHBondContact O-N 2.86Å; R69-D99 IonicContact CZ-OD1 3.92Å; R69-D99 IonicContact CZ-OD2 2.63Å; R69-D99 IonicContact NE-OD1 3.2Å; R69-D99 IonicContact NE-OD2 2.81Å; R69-D99 PolarHBondContact NE-OD2 2.85Å; R69-D99 IonicContact NH2-OD1 2.65Å; R69-D99 PolarHBondContact NH2-OD1 2.92Å; R69-D99 IonicContact NH2-OD2 2.77Å; R69-D99 PolarHBondContact NH2-OD2 3.29Å
70Q83.1Confident80.8Confident153 Ų15348.3 Ų48.372%0.71525%0.249SC*.Hα-helixtrans-66-40.3176.9-68.7-176.7-11.900112.6T68 T72 V73 Q74T68-Q70 PolarHBondContact O-N 3.32Å; Q70-T72 VanDerWaalsContact C-N 3.29Å; Q70-T72 PolarHBondContact O-N 2.69Å; Q70-V73 PolarHBondContact O-N 2.89Å; Q70-Q74 WeakPolarHBondContact O-CG 3.49Å; Q70-Q74 PolarHBondContact O-N 2.88Å
71Q83.8Confident81.1Confident56 Ų5651.8 Ų51.826%0.26226%0.263SS..Hα-helixtrans-63.6-35.9171.7-75.4159.6-3800111.7V67 T68 Q74 L75 L344V67-Q71 HydrophobicContact CG1-CB 4.43Å; T68-Q71 WeakPolarHBondContact O-CB 3.38Å; T68-Q71 PolarHBondContact O-N 3.43Å; T68-Q71 VanDerWaalsContact O-N 3.16Å; T68-Q71 VanDerWaalsContact OG1-CD 3.25Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.2Å; T68-Q71 PolarHBondContact OG1-N 3.5Å; T68-Q71 PolarHBondContact OG1-OE1 3.44Å; Q71-Q74 PolarHBondContact O-N 2.99Å; Q71-L75 PolarHBondContact O-N 3.28Å; Q71-L344 HydrophobicContact CB-CD2 3.77Å; Q71-L344 VanDerWaalsContact CD-CD2 3.48Å; Q71-L344 HydrophobicContact CG-CD2 3.71Å
72T87.6Confident81.5Confident0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-62.8-43.2173-48.30000112.1V50 L53 H54 L57 T68 R69 Q70 Q74 L75 L76V50-T72 HydrophobicContact CG1-CG2 4.29Å; L53-T72 HydrophobicContact CB-CG2 3.75Å; L53-T72 HydrophobicContact CD2-CG2 3.92Å; L53-T72 HydrophobicContact CG-CG2 3.74Å; H54-T72 HydrophobicContact CB-CG2 4.03Å; H54-T72 PolarHBondContact ND1-OG1 2.72Å; H54-T72 VanDerWaalsContact ND1-OG1 3.11Å; L57-T72 HydrophobicContact CD1-CG2 4.26Å; T68-T72 PolarHBondContact O-N 2.72Å; T68-T72 VanDerWaalsContact O-N 3.1Å; T68-T72 PolarHBondContact O-OG1 2.79Å; R69-T72 VanDerWaalsContact O-CB 3.31Å; R69-T72 WeakPolarHBondContact O-CB 3.47Å; R69-T72 PolarHBondContact O-N 3.08Å; Q70-T72 VanDerWaalsContact C-N 3.29Å; Q70-T72 PolarHBondContact O-N 2.69Å; T72-Q74 PolarHBondContact O-N 3.3Å; T72-L75 PolarHBondContact O-N 3.49Å; T72-L76 WeakPolarHBondContact O-CB 3.09Å; T72-L76 PolarHBondContact O-N 3.27Å
73V87.6Confident82Confident21 Ų2153 Ų5313%0.12726%0.263CS..Hα-helixtrans-61.2-42.1173.1175.50000111.2V50 R69 Q70 L75 L76 K77 D99V50-V73 HydrophobicContact CG1-CG2 3.93Å; V50-V73 HydrophobicContact CG2-CG2 3.74Å; R69-V73 WeakPolarHBondContact O-CG2 3.34Å; R69-V73 PolarHBondContact O-N 2.86Å; Q70-V73 PolarHBondContact O-N 2.89Å; V73-L75 PolarHBondContact O-N 2.78Å; V73-L76 PolarHBondContact O-N 3.05Å; V73-K77 PolarHBondContact O-N 3.18Å; V73-D99 HydrophobicContact CG2-CB 4.11Å
74Q83.6Confident82.4Confident99 Ų9952.1 Ų52.146%0.46326%0.259SS..Hα-helixtrans-61.7-40.6176.1-70.5177.11.400112.4Q70 Q71 T72 K77 K78 L340Q70-Q74 WeakPolarHBondContact O-CG 3.49Å; Q70-Q74 PolarHBondContact O-N 2.88Å; Q71-Q74 PolarHBondContact O-N 2.99Å; T72-Q74 PolarHBondContact O-N 3.3Å; Q74-K77 PolarHBondContact O-N 3.45Å; Q74-K78 PolarHBondContact O-N 3.11Å; Q74-L340 HydrophobicContact CB-CD1 4.2Å
75L88Confident83.3Confident2 Ų251.4 Ų51.41%0.0125%0.251CS..Hα-helixtrans-64.8-40.5173.6-174.661.3000111.5W17 V20 L53 L57 Q71 T72 V73 K78 F79 L341W17-L75 HydrophobicContact CE3-CD1 4.25Å; W17-L75 HydrophobicContact CZ3-CD1 3.85Å; V20-L75 HydrophobicContact CG1-CD2 4.3Å; L53-L75 HydrophobicContact CD2-CD2 4.25Å; L53-L75 HydrophobicContact CD2-CG 4.45Å; L57-L75 HydrophobicContact CD1-CD2 4.05Å; L57-L75 HydrophobicContact CD2-CD2 4.28Å; Q71-L75 PolarHBondContact O-N 3.28Å; T72-L75 PolarHBondContact O-N 3.49Å; V73-L75 PolarHBondContact O-N 2.78Å; L75-K78 CarbonylContact O-C 3.58Å; L75-K78 WeakPolarHBondContact O-CA 3.34Å; L75-K78 WeakPolarHBondContact O-CB 3.19Å; L75-K78 PolarHBondContact O-N 3.43Å; L75-K78 VanDerWaalsContact O-N 3.07Å; L75-F79 HydrophobicContact CD1-CD1 4.43Å; L75-F79 HydrophobicContact CD1-CE1 4Å; L75-F79 HydrophobicContact CG-CD1 4.38Å; L75-F79 HydrophobicContact CG-CE1 3.99Å; L75-F79 HydrophobicContact CG-CZ 4.49Å; L75-F79 WeakPolarHBondContact O-CD1 3.33Å; L75-F79 PolarHBondContact O-N 3.46Å; L75-L341 HydrophobicContact CD1-CD2 4.04Å; L75-L341 HydrophobicContact CD1-CG 4.49Å; L75-L341 HydrophobicContact CD2-CD2 4.41Å
76L87.6Confident84Confident1 Ų147.2 Ų47.21%0.00522%0.223CC..Hα-helixtrans-67.6-34.2178.7-163.563.8000112.7F24 A49 V50 L53 T72 V73 K78 F79 L80 I85 L97F24-L76 HydrophobicContact CE2-CD1 4.46Å; F24-L76 HydrophobicContact CZ-CD1 3.96Å; A49-L76 HydrophobicContact CB-CD1 4.4Å; A49-L76 HydrophobicContact CB-CD2 3.97Å; V50-L76 HydrophobicContact CG2-CD2 3.6Å; L53-L76 HydrophobicContact CD2-CB 4.44Å; L53-L76 HydrophobicContact CD2-CD1 4.24Å; T72-L76 WeakPolarHBondContact O-CB 3.09Å; T72-L76 PolarHBondContact O-N 3.27Å; V73-L76 PolarHBondContact O-N 3.05Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 2.87Å; L76-F79 HydrophobicContact CD1-CB 4.32Å; L76-F79 HydrophobicContact CD1-CD2 4.22Å; L76-F79 WeakPolarHBondContact O-CB 2.97Å; L76-F79 PolarHBondContact O-N 3.47Å; L76-F79 VanDerWaalsContact O-N 3.11Å; L76-L80 PolarHBondContact O-N 2.98Å; L76-L80 VanDerWaalsContact O-N 3.09Å; L76-I85 HydrophobicContact CD1-CD1 3.79Å; L76-I85 HydrophobicContact CG-CD1 4.1Å; L76-L97 HydrophobicContact CB-CD2 4.31Å; L76-L97 HydrophobicContact CD2-CD1 4.36Å; L76-L97 HydrophobicContact CD2-CD2 3.75Å; L76-L97 HydrophobicContact CG-CD1 3.97Å; L76-L97 HydrophobicContact CG-CD2 3.96Å
77K85.4Confident84.7Confident56 Ų5639.9 Ų39.924%0.24319%0.189CC..Hα-helixtrans-56.4-43.4166.5-76.7-176.6169.8-133.70111.6V73 Q74 F79 L80 K81 E95 L97V73-K77 PolarHBondContact O-N 3.18Å; Q74-K77 PolarHBondContact O-N 3.45Å; K77-F79 VanDerWaalsContact C-N 3.31Å; K77-F79 PolarHBondContact O-N 3.09Å; K77-L80 PolarHBondContact O-N 3.29Å; K77-K81 PolarHBondContact O-N 3.33Å; K77-K81 VanDerWaalsContact O-N 3.09Å; K77-E95 WeakPolarHBondContact CD-O 3.48Å; K77-E95 WeakPolarHBondContact CE-O 3.31Å; K77-E95 WeakPolarHBondContact CG-O 3.49Å; K77-E95 PolarHBondContact NZ-O 3.32Å; K77-L97 WeakPolarHBondContact CE-O 3.31Å; K77-L97 HydrophobicContact CG-CB 3.96Å; K77-L97 VanDerWaalsContact CG-O 3.31Å; K77-L97 WeakPolarHBondContact CG-O 3.34Å
78K85.3Confident84.4Confident42 Ų4240.8 Ų40.818%0.18320%0.195CC..Hα-helixtrans-70.7-26.1176.2-56.3-49.4-166.8-1680112.6W17 Q74 L75 L76 K81 N82 E95 T337W17-K78 HydrophobicContact CH2-CB 4.01Å; W17-K78 HydrophobicContact CZ3-CB 4.1Å; Q74-K78 PolarHBondContact O-N 3.11Å; L75-K78 CarbonylContact O-C 3.58Å; L75-K78 WeakPolarHBondContact O-CA 3.34Å; L75-K78 WeakPolarHBondContact O-CB 3.19Å; L75-K78 PolarHBondContact O-N 3.43Å; L75-K78 VanDerWaalsContact O-N 3.07Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 2.87Å; K78-K81 PolarHBondContact O-N 2.73Å; K78-N82 WeakPolarHBondContact O-CB 3.41Å; K78-N82 PolarHBondContact O-N 3.05Å; K78-N82 PolarHBondContact O-ND2 2.99Å; K78-E95 IonicContact NZ-OE1 3.87Å; K78-E95 PolarHBondContact NZ-OE1 2.89Å; K78-E95 IonicContact NZ-OE2 3.13Å; K78-E95 PolarHBondContact NZ-OE2 3.4Å; K78-T337 HydrophobicContact CB-CG2 4.02Å; K78-T337 HydrophobicContact CD-CG2 3.73Å; K78-T337 HydrophobicContact CG-CG2 3.72Å
79F87.1Confident83.7Confident1 Ų145 Ų450%0.00421%0.207CC..Hα-helixtrans-67.1-39.3171.6-80.821.6000111.7W17 V20 F24 L53 L75 L76 K77 V84 I85W17-F79 HydrophobicContact CE3-CE1 4.3Å; W17-F79 AromaticContact CH2-CD1 3.55Å; W17-F79 HydrophobicContact CH2-CD1 3.55Å; W17-F79 AromaticContact CH2-CE1 3.8Å; W17-F79 HydrophobicContact CH2-CE1 3.8Å; W17-F79 HydrophobicContact CZ2-CD1 4.07Å; W17-F79 HydrophobicContact CZ2-CE1 4.17Å; W17-F79 AromaticContact CZ3-CD1 3.98Å; W17-F79 HydrophobicContact CZ3-CD1 3.98Å; W17-F79 AromaticContact CZ3-CE1 3.87Å; W17-F79 HydrophobicContact CZ3-CE1 3.87Å; V20-F79 HydrophobicContact CG1-CZ 4.12Å; F24-F79 HydrophobicContact CB-CE2 4.02Å; F24-F79 AromaticContact CD1-CD2 3.84Å; F24-F79 HydrophobicContact CD1-CD2 3.84Å; F24-F79 AromaticContact CD1-CE2 3.69Å; F24-F79 HydrophobicContact CD1-CE2 3.69Å; F24-F79 HydrophobicContact CD2-CE2 4.45Å; F24-F79 AromaticContact CE1-CD2 3.98Å; F24-F79 HydrophobicContact CE1-CD2 3.98Å; F24-F79 HydrophobicContact CE1-CE2 4.27Å; F24-F79 HydrophobicContact CG-CD2 4.35Å; F24-F79 AromaticContact CG-CE2 3.81Å; F24-F79 HydrophobicContact CG-CE2 3.81Å; L53-F79 HydrophobicContact CD2-CE2 4.41Å; L75-F79 HydrophobicContact CD1-CD1 4.43Å; L75-F79 HydrophobicContact CD1-CE1 4Å; L75-F79 HydrophobicContact CG-CD1 4.38Å; L75-F79 HydrophobicContact CG-CE1 3.99Å; L75-F79 HydrophobicContact CG-CZ 4.49Å; L75-F79 WeakPolarHBondContact O-CD1 3.33Å; L75-F79 PolarHBondContact O-N 3.46Å; L76-F79 HydrophobicContact CD1-CB 4.32Å; L76-F79 HydrophobicContact CD1-CD2 4.22Å; L76-F79 WeakPolarHBondContact O-CB 2.97Å; L76-F79 PolarHBondContact O-N 3.47Å; L76-F79 VanDerWaalsContact O-N 3.11Å; K77-F79 VanDerWaalsContact C-N 3.31Å; K77-F79 PolarHBondContact O-N 3.09Å; F79-V84 HydrophobicContact CB-CB 3.85Å; F79-V84 HydrophobicContact CB-CG1 4.18Å; F79-V84 HydrophobicContact CD1-CG2 4.48Å; F79-V84 HydrophobicContact CD2-CB 4.26Å; F79-V84 HydrophobicContact CD2-CG1 3.65Å; F79-V84 HydrophobicContact CE2-CG1 4.1Å; F79-V84 HydrophobicContact CG-CB 3.98Å; F79-V84 HydrophobicContact CG-CG1 3.9Å; F79-V84 HydrophobicContact CG-CG2 4.4Å; F79-V84 WeakPolarHBondContact O-CA 3.44Å; F79-V84 WeakPolarHBondContact O-CB 3.38Å; F79-V84 PolarHBondContact O-N 2.96Å; F79-I85 HydrophobicContact CB-CD1 4.33Å; F79-I85 HydrophobicContact CB-CG1 4.21Å; F79-I85 PolarHBondContact O-N 3.48Å
80L85.7Confident83Confident5 Ų542.2 Ų42.23%0.02621%0.206CC..Hα-helixtrans-66.4-38.9172.9-177.462.7000112.1L76 K77 I85 W92 G93 L97 F104L76-L80 PolarHBondContact O-N 2.98Å; L76-L80 VanDerWaalsContact O-N 3.09Å; K77-L80 PolarHBondContact O-N 3.29Å; L80-I85 HydrophobicContact CB-CD1 4.28Å; L80-I85 HydrophobicContact CB-CG1 4.04Å; L80-I85 HydrophobicContact CD1-CG1 4.28Å; L80-W92 HydrophobicContact CD1-CB 4.38Å; L80-G93 PolarHBondContact O-N 2.74Å; L80-L97 HydrophobicContact CB-CD1 4.16Å; L80-L97 HydrophobicContact CD2-CB 4.1Å; L80-L97 HydrophobicContact CD2-CD1 4.27Å; L80-F104 HydrophobicContact CD1-CD1 4.25Å; L80-F104 HydrophobicContact CD1-CE1 3.9Å; L80-F104 HydrophobicContact CD2-CE1 3.99Å
81K83.1Confident82.4Confident94 Ų9442 Ų4241%0.40920%0.199SC..Hα-helixtrans-63-44.7176.7-170.2170.5-153.5169.10113.1K77 K78 H83 E95K77-K81 PolarHBondContact O-N 3.33Å; K77-K81 VanDerWaalsContact O-N 3.09Å; K78-K81 PolarHBondContact O-N 2.73Å; K81-H83 VanDerWaalsContact C-N 3.3Å; K81-H83 PolarHBondContact O-N 3.4Å; K81-E95 HydrophobicContact CD-CG 4.05Å; K81-E95 VanDerWaalsContact CD-OE1 3.25Å; K81-E95 WeakPolarHBondContact CD-OE1 3.43Å; K81-E95 WeakPolarHBondContact CE-OE1 3.36Å; K81-E95 IonicContact NZ-OE1 2.73Å; K81-E95 PolarHBondContact NZ-OE1 3.29Å
82N80.9Confident82.1Confident73 Ų7345.9 Ų45.939%0.3921%0.212SC..THydrogen-bonded Turntrans-92.125.8-174.7-66.4-87.5000113.4W17 K78 V84W17-N82 HydrophobicContact CH2-CB 4.38Å; W17-N82 HydrophobicContact CZ2-CB 3.9Å; K78-N82 WeakPolarHBondContact O-CB 3.41Å; K78-N82 PolarHBondContact O-N 3.05Å; K78-N82 PolarHBondContact O-ND2 2.99Å; N82-V84 HydrophobicContact CB-CG2 4.45Å; N82-V84 PolarHBondContact O-N 2.91Å
83H82.8Confident81Confident36 Ų3647.3 Ų47.317%0.16723%0.226CC..THydrogen-bonded Turntrans53.226.5178.8-165.3-115.8000114.6K81 W92 P107K81-H83 VanDerWaalsContact C-N 3.3Å; K81-H83 PolarHBondContact O-N 3.4Å; H83-W92 HydrophobicContact CB-CD2 4.18Å; H83-W92 HydrophobicContact CB-CE3 3.88Å; H83-W92 HydrophobicContact CB-CZ3 4.2Å; H83-W92 AromaticContact CD2-CD1 3.67Å; H83-W92 AromaticContact CD2-CD2 3.64Å; H83-W92 AromaticContact CD2-CE2 3.82Å; H83-W92 AromaticContact CD2-CG 3.56Å; H83-W92 AromaticContact CD2-NE1 3.82Å; H83-P107 WeakPolarHBondContact CE1-CB 3.48Å; H83-P107 WeakPolarHBondContact NE2-CB 3.4Å; H83-P107 WeakPolarHBondContact O-CG 3.27Å
84V82.9Confident80Confident3 Ų349.7 Ų49.72%0.01824%0.241CC..SBendtrans-74.5-36.1172.6179.80000109.8W17 T21 R25 F79 N82 P111W17-V84 HydrophobicContact CZ2-CG2 4.12Å; T21-V84 HydrophobicContact CG2-CG1 3.88Å; T21-V84 HydrophobicContact CG2-CG2 4.1Å; R25-V84 PolarHBondContact NH1-O 3.46Å; F79-V84 HydrophobicContact CB-CB 3.85Å; F79-V84 HydrophobicContact CB-CG1 4.18Å; F79-V84 HydrophobicContact CD1-CG2 4.48Å; F79-V84 HydrophobicContact CD2-CB 4.26Å; F79-V84 HydrophobicContact CD2-CG1 3.65Å; F79-V84 HydrophobicContact CE2-CG1 4.1Å; F79-V84 HydrophobicContact CG-CB 3.98Å; F79-V84 HydrophobicContact CG-CG1 3.9Å; F79-V84 HydrophobicContact CG-CG2 4.4Å; F79-V84 WeakPolarHBondContact O-CA 3.44Å; F79-V84 WeakPolarHBondContact O-CB 3.38Å; F79-V84 PolarHBondContact O-N 2.96Å; N82-V84 HydrophobicContact CB-CG2 4.45Å; N82-V84 PolarHBondContact O-N 2.91Å; V84-P111 HydrophobicContact CG2-CG 4.42Å
85I85.3Confident79.2Confident1 Ų147.6 Ų47.61%0.00523%0.231CC..SBendtrans-130.1157.9171.360.5178.2000109.7F24 F44 L76 F79 L80 L97 F104 F106F24-I85 HydrophobicContact CE1-CG2 3.75Å; F24-I85 HydrophobicContact CZ-CG2 4.47Å; F44-I85 HydrophobicContact CZ-CB 4.48Å; F44-I85 HydrophobicContact CZ-CG2 3.86Å; L76-I85 HydrophobicContact CD1-CD1 3.79Å; L76-I85 HydrophobicContact CG-CD1 4.1Å; F79-I85 HydrophobicContact CB-CD1 4.33Å; F79-I85 HydrophobicContact CB-CG1 4.21Å; F79-I85 PolarHBondContact O-N 3.48Å; L80-I85 HydrophobicContact CB-CD1 4.28Å; L80-I85 HydrophobicContact CB-CG1 4.04Å; L80-I85 HydrophobicContact CD1-CG1 4.28Å; I85-L97 HydrophobicContact CD1-CD1 3.62Å; I85-F104 HydrophobicContact CD1-CD1 4.27Å; I85-F104 HydrophobicContact CD1-CG 4.48Å; I85-F106 HydrophobicContact CG2-CD1 4.15Å; I85-F106 HydrophobicContact CG2-CE1 3.97Å
86E84.5Confident78.1Confident16 Ų1653.2 Ų53.28%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-130.1152.6174.261.8169.8162.900110.5G90 F104 R105 P107E86-G90 WeakPolarHBondContact OE2-CA 3.34Å; E86-F104 WeakPolarHBondContact O-CA 3.2Å; E86-F104 WeakPolarHBondContact O-CD1 3.18Å; E86-R105 VanDerWaalsContact CD-NE 3.31Å; E86-R105 HydrophobicContact CG-CG 3.46Å; E86-R105 VanDerWaalsContact CG-CG 3.46Å; E86-R105 PolarHBondContact N-O 3.38Å; E86-R105 PolarHBondContact O-N 2.9Å; E86-R105 WeakPolarHBondContact OE1-CG 3.38Å; E86-R105 IonicContact OE1-CZ 3.87Å; E86-R105 IonicContact OE1-NE 3.35Å; E86-R105 PolarHBondContact OE1-NE 3.43Å; E86-R105 VanDerWaalsContact OE1-NE 3.15Å; E86-R105 IonicContact OE1-NH1 3.65Å; E86-R105 PolarHBondContact OE1-NH1 3.31Å; E86-R105 IonicContact OE1-NH2 3.91Å; E86-R105 PolarHBondContact OE1-NH2 3.05Å; E86-R105 IonicContact OE2-CZ 2.69Å; E86-R105 VanDerWaalsContact OE2-CZ 3.25Å; E86-R105 IonicContact OE2-NE 3.4Å; E86-R105 IonicContact OE2-NH2 2.98Å; E86-R105 PolarHBondContact OE2-NH2 2.63Å; E86-P107 HydrophobicContact CG-CB 4.18Å; E86-P107 HydrophobicContact CG-CG 4.45Å; E86-P107 WeakPolarHBondContact OE1-CA 3.3Å
87D83.6Confident77.4Confident17 Ų1753.1 Ų53.19%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-55.7148.9165.3179.4-12.3000109.3K89 G90 R91 R105D87-K89 PolarHBondContact O-N 2.89Å; D87-K89 VanDerWaalsContact O-N 3.09Å; D87-K89 PolarHBondContact OD1-N 2.99Å; D87-G90 PolarHBondContact O-N 3.34Å; D87-R91 HydrophobicContact CB-CB 4.02Å; D87-R91 VanDerWaalsContact CB-O 3.31Å; D87-R91 WeakPolarHBondContact CB-O 3.47Å; D87-R91 PolarHBondContact N-O 3.02Å; D87-R91 IonicContact OD2-CZ 3.25Å; D87-R91 VanDerWaalsContact OD2-CZ 3.22Å; D87-R91 IonicContact OD2-NE 2.68Å; D87-R91 PolarHBondContact OD2-NE 2.82Å; D87-R91 IonicContact OD2-NH2 2.99Å; D87-R91 PolarHBondContact OD2-NH2 2.97Å; D87-R105 PolarHBondContact O-NE 3.31Å
88V75.3Confident76.6Confident25 Ų2556.3 Ų56.315%0.15228%0.276CS..THydrogen-bonded Turntrans-53.3-26.4167.5161.10000112.4H40 C43 G90 L103H40-V88 WeakPolarHBondContact CE1-CG1 3.32Å; H40-V88 VanDerWaalsContact ND1-CG1 3.26Å; H40-V88 WeakPolarHBondContact ND1-CG1 3.37Å; C43-V88 HydrophobicContact CB-CG2 4.28Å; V88-G90 VanDerWaalsContact C-N 3.32Å; V88-G90 PolarHBondContact O-N 3.29Å; V88-L103 HydrophobicContact CB-CB 4.39Å; V88-L103 HydrophobicContact CG2-CB 3.54Å; V88-L103 WeakPolarHBondContact CG2-O 3.39Å; V88-L103 PolarHBondContact N-O 3.48Å
89K69.6Low76.1Confident154 Ų15457 Ų5767%0.6728%0.282SS*.THydrogen-bonded Turntrans-81.13.6172.1-60.5-178.3177.8-179.70115.3D87D87-K89 PolarHBondContact O-N 2.89Å; D87-K89 VanDerWaalsContact O-N 3.09Å; D87-K89 PolarHBondContact OD1-N 2.99Å
90G69.5Low75.6Confident31 Ų3160.5 Ų60.532%0.3230%0.301SS..SBendtrans7818.9179.300000115.5E86 D87 V88 R105E86-G90 WeakPolarHBondContact OE2-CA 3.34Å; D87-G90 PolarHBondContact O-N 3.34Å; V88-G90 VanDerWaalsContact C-N 3.32Å; V88-G90 PolarHBondContact O-N 3.29Å; G90-R105 VanDerWaalsContact CA-NH2 3.33Å
91R71.6Confident75.2Confident148 Ų14867.5 Ų67.556%0.55833%0.333SS*.  trans-96.9142.3178.8-58.7-178.6-62167.68.1110.7D87D87-R91 HydrophobicContact CB-CB 4.02Å; D87-R91 VanDerWaalsContact CB-O 3.31Å; D87-R91 WeakPolarHBondContact CB-O 3.47Å; D87-R91 PolarHBondContact N-O 3.02Å; D87-R91 IonicContact OD2-CZ 3.25Å; D87-R91 VanDerWaalsContact OD2-CZ 3.22Å; D87-R91 IonicContact OD2-NE 2.68Å; D87-R91 PolarHBondContact OD2-NE 2.82Å; D87-R91 IonicContact OD2-NH2 2.99Å; D87-R91 PolarHBondContact OD2-NH2 2.97Å
92W76.3Confident75Confident139 Ų13966.8 Ų66.853%0.52733%0.332SS..  trans-152.6177.7-179.760.5-86.1000109.3L80 H83 T94L80-W92 HydrophobicContact CD1-CB 4.38Å; H83-W92 HydrophobicContact CB-CD2 4.18Å; H83-W92 HydrophobicContact CB-CE3 3.88Å; H83-W92 HydrophobicContact CB-CZ3 4.2Å; H83-W92 AromaticContact CD2-CD1 3.67Å; H83-W92 AromaticContact CD2-CD2 3.64Å; H83-W92 AromaticContact CD2-CE2 3.82Å; H83-W92 AromaticContact CD2-CG 3.56Å; H83-W92 AromaticContact CD2-NE1 3.82Å; W92-T94 VanDerWaalsContact C-N 3.3Å; W92-T94 PolarHBondContact O-N 2.71Å
93G64.6Low75.1Confident30 Ų3063.9 Ų63.931%0.30932%0.316SS..SBendtrans88.4-24.1177.100000115.2L80L80-G93 PolarHBondContact O-N 2.74Å
94T67.6Low75.2Confident70 Ų7062.3 Ų62.343%0.42931%0.309SS..  trans-78.5160.8172.658.90000112.5W92 D96W92-T94 VanDerWaalsContact C-N 3.3Å; W92-T94 PolarHBondContact O-N 2.71Å; T94-D96 WeakPolarHBondContact CB-OD2 3.48Å
95E66.8Low75.3Confident56 Ų5666.1 Ų66.126%0.26232%0.323SS..  trans-10518.8175.6-59.4-161.1-161.700112.4K77 K78 K81 L97K77-E95 WeakPolarHBondContact CD-O 3.48Å; K77-E95 WeakPolarHBondContact CE-O 3.31Å; K77-E95 WeakPolarHBondContact CG-O 3.49Å; K77-E95 PolarHBondContact NZ-O 3.32Å; K78-E95 IonicContact NZ-OE1 3.87Å; K78-E95 PolarHBondContact NZ-OE1 2.89Å; K78-E95 IonicContact NZ-OE2 3.13Å; K78-E95 PolarHBondContact NZ-OE2 3.4Å; K81-E95 HydrophobicContact CD-CG 4.05Å; K81-E95 VanDerWaalsContact CD-OE1 3.25Å; K81-E95 WeakPolarHBondContact CD-OE1 3.43Å; K81-E95 WeakPolarHBondContact CE-OE1 3.36Å; K81-E95 IonicContact NZ-OE1 2.73Å; K81-E95 PolarHBondContact NZ-OE1 3.29Å; E95-L97 PolarHBondContact O-N 2.76Å
96D64.6Low75.2Confident119 Ų11968 Ų6864%0.63633%0.331SS*.  trans-87.448.5-173.1-50.7-44.2000112.3T94T94-D96 WeakPolarHBondContact CB-OD2 3.48Å
97L72.6Confident75Confident0 Ų067.6 Ų67.60%033%0.33CS..  trans-111.1109.4179.4-167.6161.2000111.2A46 L76 K77 L80 I85 E95 F104A46-L97 HydrophobicContact CB-CD2 4.28Å; L76-L97 HydrophobicContact CB-CD2 4.31Å; L76-L97 HydrophobicContact CD2-CD1 4.36Å; L76-L97 HydrophobicContact CD2-CD2 3.75Å; L76-L97 HydrophobicContact CG-CD1 3.97Å; L76-L97 HydrophobicContact CG-CD2 3.96Å; K77-L97 WeakPolarHBondContact CE-O 3.31Å; K77-L97 HydrophobicContact CG-CB 3.96Å; K77-L97 VanDerWaalsContact CG-O 3.31Å; K77-L97 WeakPolarHBondContact CG-O 3.34Å; L80-L97 HydrophobicContact CB-CD1 4.16Å; L80-L97 HydrophobicContact CD2-CB 4.1Å; L80-L97 HydrophobicContact CD2-CD1 4.27Å; I85-L97 HydrophobicContact CD1-CD1 3.62Å; E95-L97 PolarHBondContact O-N 2.76Å; L97-F104 HydrophobicContact CB-CZ 4.45Å; L97-F104 HydrophobicContact CD1-CD1 4.4Å; L97-F104 HydrophobicContact CD1-CD2 4.46Å; L97-F104 HydrophobicContact CD1-CE1 3.88Å; L97-F104 HydrophobicContact CD1-CE2 3.93Å; L97-F104 HydrophobicContact CD1-CZ 3.62Å; L97-F104 HydrophobicContact CG-CE1 4.46Å; L97-F104 HydrophobicContact CG-CE2 3.97Å; L97-F104 HydrophobicContact CG-CZ 3.74Å
98E68.8Low73.8Confident122 Ų12272.8 Ų72.857%0.5737%0.368SS*.  trans-106.8169.5173.8-70.3179.5167.700111.7A46 N100A46-E98 WeakPolarHBondContact CB-O 3.21Å; E98-N100 VanDerWaalsContact CB-ND2 3.35Å; E98-N100 WeakPolarHBondContact CB-ND2 3.37Å; E98-N100 PolarHBondContact O-N 3.41Å; E98-N100 PolarHBondContact OE2-ND2 3.12Å; E98-N100 VanDerWaalsContact OE2-ND2 3.14Å
99D74.3Confident72.9Confident58 Ų5876 Ų7631%0.3139%0.388SS..SBendtrans-75.949.1-176.4-160.93.7000112.3A47 R69 V73A47-D99 VanDerWaalsContact CA-OD1 3.31Å; A47-D99 WeakPolarHBondContact CA-OD1 3.35Å; R69-D99 IonicContact CZ-OD1 3.92Å; R69-D99 IonicContact CZ-OD2 2.63Å; R69-D99 IonicContact NE-OD1 3.2Å; R69-D99 IonicContact NE-OD2 2.81Å; R69-D99 PolarHBondContact NE-OD2 2.85Å; R69-D99 IonicContact NH2-OD1 2.65Å; R69-D99 PolarHBondContact NH2-OD1 2.92Å; R69-D99 IonicContact NH2-OD2 2.77Å; R69-D99 PolarHBondContact NH2-OD2 3.29Å; V73-D99 HydrophobicContact CG2-CB 4.11Å
100N77.8Confident71.6Confident73 Ų7372.1 Ų72.139%0.3938%0.38SS..SBendtrans-106.7171.4-168.6-70.9-27.6000111.7A46 A47 E98 M102A46-N100 VanDerWaalsContact CB-O 3.29Å; A46-N100 WeakPolarHBondContact CB-O 3.21Å; A47-N100 PolarHBondContact N-O 2.67Å; E98-N100 VanDerWaalsContact CB-ND2 3.35Å; E98-N100 WeakPolarHBondContact CB-ND2 3.37Å; E98-N100 PolarHBondContact O-N 3.41Å; E98-N100 PolarHBondContact OE2-ND2 3.12Å; E98-N100 VanDerWaalsContact OE2-ND2 3.14Å; N100-M102 HydrophobicContact CB-CG 4.44Å; N100-M102 PolarHBondContact O-N 2.9Å; N100-M102 VanDerWaalsContact O-N 3.08Å
101H76.7Confident70.5Confident152 Ų15273.2 Ų73.270%0.70438%0.381SS*.SBendtrans-77.720.3174.2-55.7-43.4000114.1
102M79.9Confident68.9Low80 Ų8068.8 Ų68.839%0.39437%0.369SS..  trans-64.8139.6173-74.3-176.763.800110.8T45 A46 N100 F104T45-M102 CarbonylContact C-O 3.52Å; T45-M102 WeakPolarHBondContact CA-O 3.45Å; A46-M102 PolarHBondContact N-O 3.24Å; N100-M102 HydrophobicContact CB-CG 4.44Å; N100-M102 PolarHBondContact O-N 2.9Å; N100-M102 VanDerWaalsContact O-N 3.08Å; M102-F104 HydrophobicContact CB-CE2 3.86Å; M102-F104 HydrophobicContact CE-CZ 4.37Å
103L82.7Confident67Low11 Ų1171.3 Ų71.36%0.05838%0.383CS..EExtended strand (participates in β ladder)trans-90.4131.4178.7-63.1179.9000111.7H33 Q35 F44 T45 V88H33-L103 HydrophobicContact CB-CD1 3.64Å; H33-L103 HydrophobicContact CB-CD2 4.02Å; Q35-L103 HydrophobicContact CB-CD1 4.19Å; Q35-L103 VanDerWaalsContact OE1-CD1 3.31Å; F44-L103 WeakPolarHBondContact O-CA 3.34Å; T45-L103 HydrophobicContact CG2-CD2 3.73Å; V88-L103 HydrophobicContact CB-CB 4.39Å; V88-L103 HydrophobicContact CG2-CB 3.54Å; V88-L103 WeakPolarHBondContact CG2-O 3.39Å; V88-L103 PolarHBondContact N-O 3.48Å
104F84.7Confident65.3Low4 Ų476 Ų762%0.01841%0.408CS..EExtended strand (participates in β ladder)trans-121.2161.9172.5-68.7-87.6000110C43 F44 A46 L80 I85 E86 L97 M102C43-F104 CarbonylContact C-O 3.53Å; C43-F104 VanDerWaalsContact CA-O 3.26Å; C43-F104 WeakPolarHBondContact CA-O 3.37Å; F44-F104 HydrophobicContact CD2-CB 4.15Å; F44-F104 HydrophobicContact CE2-CB 3.61Å; F44-F104 HydrophobicContact CZ-CB 3.95Å; F44-F104 PolarHBondContact N-O 3.25Å; F44-F104 PolarHBondContact O-N 2.78Å; A46-F104 HydrophobicContact CB-CD2 3.98Å; A46-F104 HydrophobicContact CB-CE2 3.79Å; L80-F104 HydrophobicContact CD1-CD1 4.25Å; L80-F104 HydrophobicContact CD1-CE1 3.9Å; L80-F104 HydrophobicContact CD2-CE1 3.99Å; I85-F104 HydrophobicContact CD1-CD1 4.27Å; I85-F104 HydrophobicContact CD1-CG 4.48Å; E86-F104 WeakPolarHBondContact O-CA 3.2Å; E86-F104 WeakPolarHBondContact O-CD1 3.18Å; L97-F104 HydrophobicContact CB-CZ 4.45Å; L97-F104 HydrophobicContact CD1-CD1 4.4Å; L97-F104 HydrophobicContact CD1-CD2 4.46Å; L97-F104 HydrophobicContact CD1-CE1 3.88Å; L97-F104 HydrophobicContact CD1-CE2 3.93Å; L97-F104 HydrophobicContact CD1-CZ 3.62Å; L97-F104 HydrophobicContact CG-CE1 4.46Å; L97-F104 HydrophobicContact CG-CE2 3.97Å; L97-F104 HydrophobicContact CG-CZ 3.74Å; M102-F104 HydrophobicContact CB-CE2 3.86Å; M102-F104 HydrophobicContact CE-CZ 4.37Å
105R83.8Confident63.7Low82 Ų8278.7 Ų78.731%0.30942%0.419SS..EExtended strand (participates in β ladder)trans-139.9164.6176.462.8-172.7175126.99110.1E86 D87 G90E86-R105 VanDerWaalsContact CD-NE 3.31Å; E86-R105 HydrophobicContact CG-CG 3.46Å; E86-R105 VanDerWaalsContact CG-CG 3.46Å; E86-R105 PolarHBondContact N-O 3.38Å; E86-R105 PolarHBondContact O-N 2.9Å; E86-R105 WeakPolarHBondContact OE1-CG 3.38Å; E86-R105 IonicContact OE1-CZ 3.87Å; E86-R105 IonicContact OE1-NE 3.35Å; E86-R105 PolarHBondContact OE1-NE 3.43Å; E86-R105 VanDerWaalsContact OE1-NE 3.15Å; E86-R105 IonicContact OE1-NH1 3.65Å; E86-R105 PolarHBondContact OE1-NH1 3.31Å; E86-R105 IonicContact OE1-NH2 3.91Å; E86-R105 PolarHBondContact OE1-NH2 3.05Å; E86-R105 IonicContact OE2-CZ 2.69Å; E86-R105 VanDerWaalsContact OE2-CZ 3.25Å; E86-R105 IonicContact OE2-NE 3.4Å; E86-R105 IonicContact OE2-NH2 2.98Å; E86-R105 PolarHBondContact OE2-NH2 2.63Å; D87-R105 PolarHBondContact O-NE 3.31Å; G90-R105 VanDerWaalsContact CA-NH2 3.33Å
106F84.3Confident61.8Low41 Ų4182.1 Ų82.118%0.1845%0.446CS..  trans-86.8128.5171.6-71-67.2000110F24 R25 M28 V30 F44 I85F24-F106 AromaticContact CD1-CE1 3.68Å; F24-F106 HydrophobicContact CD1-CE1 3.68Å; F24-F106 AromaticContact CD1-CZ 3.83Å; F24-F106 HydrophobicContact CD1-CZ 3.83Å; F24-F106 AromaticContact CE1-CE1 3.5Å; F24-F106 HydrophobicContact CE1-CE1 3.5Å; F24-F106 VanDerWaalsContact CE1-CE1 3.5Å; F24-F106 AromaticContact CE1-CZ 3.61Å; F24-F106 HydrophobicContact CE1-CZ 3.61Å; F24-F106 HydrophobicContact CZ-CZ 4.32Å; R25-F106 HydrophobicContact CG-CD1 3.76Å; R25-F106 HydrophobicContact CG-CE1 3.77Å; R25-F106 HydrophobicContact CG-CG 4.42Å; R25-F106 HydrophobicContact CG-CZ 4.44Å; M28-F106 HydrophobicContact CB-CE2 4.07Å; M28-F106 HydrophobicContact CB-CZ 3.9Å; M28-F106 HydrophobicContact CG-CE2 4.22Å; M28-F106 HydrophobicContact CG-CZ 4.17Å; V30-F106 HydrophobicContact CG1-CD2 3.91Å; V30-F106 HydrophobicContact CG1-CE2 3.99Å; F44-F106 HydrophobicContact CD1-CE2 4.37Å; F44-F106 AromaticContact CE1-CD2 3.84Å; F44-F106 HydrophobicContact CE1-CD2 3.84Å; F44-F106 AromaticContact CE1-CE2 3.67Å; F44-F106 HydrophobicContact CE1-CE2 3.67Å; F44-F106 HydrophobicContact CE1-CG 4.33Å; F44-F106 HydrophobicContact CE1-CZ 4.02Å; F44-F106 HydrophobicContact CZ-CE1 4.49Å; F44-F106 HydrophobicContact CZ-CE2 4.36Å; F44-F106 HydrophobicContact CZ-CZ 4.27Å; I85-F106 HydrophobicContact CG2-CD1 4.15Å; I85-F106 HydrophobicContact CG2-CE1 3.97Å
107P79.1Confident60Low8 Ų881.4 Ų81.45%0.05245%0.449CS..  trans-65.2143.7175.421.8-27.3000111.5R25 H83 E86 T109R25-P107 PolarHBondContact NH2-O 3.3Å; H83-P107 WeakPolarHBondContact CE1-CB 3.48Å; H83-P107 WeakPolarHBondContact NE2-CB 3.4Å; H83-P107 WeakPolarHBondContact O-CG 3.27Å; E86-P107 HydrophobicContact CG-CB 4.18Å; E86-P107 HydrophobicContact CG-CG 4.45Å; E86-P107 WeakPolarHBondContact OE1-CA 3.3Å; P107-T109 VanDerWaalsContact C-N 3.26Å; P107-T109 PolarHBondContact O-N 3.07Å
108S60Low58.1Low126 Ų12687.8 Ų87.888%0.88149%0.49SS*.SBendtrans-66.7-25.9-176.952.60000113.1
109T55.1Low56.2Low92 Ų9286.5 Ų86.556%0.56450%0.5SS*.SBendtrans-86.9123.8165.446.80000109.8P107P107-T109 VanDerWaalsContact C-N 3.26Å; P107-T109 PolarHBondContact O-N 3.07Å
110S42.3Very low54.1Low72 Ų7290 Ų9050%0.50353%0.526SS..  trans-75.7126.4175.2174.40000110.2L112S110-L112 PolarHBondContact O-N 3.44Å; S110-L112 PolarHBondContact OG-N 3.04Å
111P46.4Very low51.8Low54 Ų5492.8 Ų92.835%0.35155%0.546SS..SBendtrans-74.2-9.4175.732.9-37.6000113.1V84 K113V84-P111 HydrophobicContact CG2-CG 4.42Å; P111-K113 PolarHBondContact O-N 3.09Å
112L37.9Very low49.6Very low56 Ų5693.8 Ų93.829%0.29356%0.555SS.*SBendtrans-80.1115.7172.8-61.2178.7000109.8T21 S110T21-L112 HydrophobicContact CG2-CD1 4.34Å; T21-L112 HydrophobicContact CG2-CD2 4.12Å; T21-L112 HydrophobicContact CG2-CG 4.36Å; S110-L112 PolarHBondContact O-N 3.44Å; S110-L112 PolarHBondContact OG-N 3.04Å
113K37.1Very low47.1Very low192 Ų19293.4 Ų93.484%0.83557%0.572SS**  trans-51.4129.1162.1-76.4-175.1176.4179.30108.4P111 I115P111-K113 PolarHBondContact O-N 3.09Å; K113-I115 PolarHBondContact O-N 3.47Å
114P29.9Very low44.4Very low128 Ų12898.1 Ų98.183%0.83161%0.606SS**  trans-64.1103.1-177.9-23.634.4000112P116P114-P116 WeakPolarHBondContact O-CD 3.38Å
115I32.1Very low41.6Very low127 Ų127109.4 Ų109.465%0.65165%0.648SS**  trans-75.6122.9167.7-57.9178.2000107.3K113 C117K113-I115 PolarHBondContact O-N 3.47Å; I115-C117 PolarHBondContact O-N 3.36Å
116P27.9Very low38.9Very low128 Ų128111.4 Ų111.483%0.83168%0.675SS**  trans-62.3120.5175.8-21.833.6000110.9P114P114-P116 WeakPolarHBondContact O-CD 3.38Å
117C27Very low36.5Very low104 Ų104116.5 Ų116.570%0.70370%0.702SS**  trans-127.3138.8171-73.60000108.8I115 A119I115-C117 PolarHBondContact O-N 3.36Å; C117-A119 PolarHBondContact O-N 2.88Å
118P32.6Very low34.2Very low134 Ų134126 Ų12687%0.8774%0.743SS**PPolyproline II helixtrans-68.7127.7-178.1-17.331.3000111.5
119A28.1Very low32.6Very low94 Ų94129.7 Ų129.778%0.77774%0.743SS**PPolyproline II helixtrans-86.5133.5173.100000110.9C117C117-A119 PolarHBondContact O-N 2.88Å
120P29.9Very low31.2Very low131 Ų131137 Ų13785%0.85176%0.76SS**PPolyproline II helixtrans-65.3161.5171.2-21.934.2000113.4
121V31.3Very low30.5Very low133 Ų133139.5 Ų139.581%0.80678%0.775SS**PPolyproline II helixtrans-88.1125.1-177.9-172.10000111.2
122L29.2Very low29.5Very low172 Ų172142.3 Ų142.390%0.90180%0.796SS**  171.6159.9125.8-110.894.4000111.1
123G27Very low29.4Very low72 Ų72147.4 Ų147.474%0.74282%0.823SS**  trans117.373151.800000119.8
124S26.4Very low29.1Very low111 Ų111149.4 Ų149.478%0.77683%0.825SS**  trans53100.7147.5-163.10000122.1
125R25.6Very low28.8Very low240 Ų240150.4 Ų150.491%0.90682%0.823SS**  28.7119.2126.5-58.5176177.1-177.4-1.1119.4
126S27.4Very low28.6Very low125 Ų125153.3 Ų153.387%0.87483%0.826SS**  -156.4146.3113.8-159.90000114.1
127I33.6Very low28.8Very low147 Ų147155.4 Ų155.475%0.75483%0.825SS**  trans-74.1134.2-166.6-64156.9000113.3
128K31.2Very low29.1Very low207 Ų207153 Ų15390%0.982%0.818SS**  -160.7154.1127.6-105.3157.6-171.9178.40111.7
129K27.4Very low29Very low204 Ų204156 Ų15689%0.88782%0.818SS**PPolyproline II helixtrans-82.5138.1-156.9-59176.8-179.6179.20113.4
130R25.6Very low29Very low245 Ų245158.8 Ų158.893%0.92581%0.813SS**PPolyproline II helixtrans-92.6141.8152-81.5-176172.3174.3-3.3109.5
131P26.9Very low28.9Very low126 Ų126163.7 Ų163.782%0.81881%0.814SS**PPolyproline II helixtrans-71.7165.4159.3-16.532.3000112.2
132S24.6Very low28.8Very low113 Ų113164.5 Ų164.579%0.7981%0.813SS**PPolyproline II helixtrans-71.4150.1-178.6-169.90000113.4R134S132-R134 PolarHBondContact O-N 2.81Å
133L36.7Very low28.8Very low163 Ų163167.1 Ų167.185%0.85381%0.811SS**SBendtrans-81.691.8166.4-172.5164.3000109
134R29.9Very low28.8Very low234 Ų234170.8 Ų170.888%0.88381%0.814SS**  trans-177.696149.7-90.1-159-140.1-96.26.6108.1S132S132-R134 PolarHBondContact O-N 2.81Å
135D25.1Very low28.9Very low148 Ų148173.7 Ų173.779%0.79182%0.819SS**  trans-159.7154.2139.7-156.315.5000111.9
136R27.8Very low28.9Very low189 Ų189171.6 Ų171.671%0.71382%0.817SS**  trans43.5109.8164.8-73.9-68139.7-175.21.1120.8G138R136-G138 PolarHBondContact O-N 3.01Å
137E32.5Very low29Very low171 Ų171173 Ų17380%0.79982%0.815SS**  -38.4113126.5-60.874.6-166.100110.6
138G32.2Very low28.6Very low55 Ų55174.6 Ų174.657%0.56782%0.819SS**  trans-152.810.3-168.700000115.9R136R136-G138 PolarHBondContact O-N 3.01Å
139F29.9Very low28.3Very low197 Ų197174.3 Ų174.386%0.86482%0.821SS**  trans-125.4128.3171.7-68.4-106.1000106.7
140F27.8Very low28.3Very low152 Ų152172.6 Ų172.667%0.66781%0.814SS**  cis-112.5148.111.9-64.5-107.7000112.3
141R29.2Very low28.3Very low234 Ų234167.5 Ų167.588%0.88380%0.804SS**  trans-100.5116.1146.3-74.8-173.2179.4-172.90.2106.9R143R141-R143 PolarHBondContact O-N 3.46Å
142L29.3Very low28.2Very low149 Ų149167 Ų16778%0.7880%0.804SS**  trans-60.3107.7165.3-82.6164.4000107.8
143R29.6Very low28.2Very low227 Ų227169.4 Ų169.486%0.85781%0.805SS**  trans-98.798.9-178.4-172.6178.7-167.5163.72.8107.4R141 L145R141-R143 PolarHBondContact O-N 3.46Å; R143-L145 PolarHBondContact O-N 3.17Å
144N25.8Very low27.7Very low149 Ų149169.5 Ų169.580%0.79780%0.801SS**  trans-40.3123.8175.1-70-11.4000110.8K146N144-K146 PolarHBondContact O-N 3.4Å
145L27.9Very low27.7Very low172 Ų172165.8 Ų165.890%0.90180%0.799SS**  trans-66.599.8170.5-84.974.6000108R143R143-L145 PolarHBondContact O-N 3.17Å
146K26.1Very low27.9Very low196 Ų196165.1 Ų165.185%0.85280%0.8SS**  trans-89.3122.4164.6-170.9175.3-178.3179.50107.5N144 Q148N144-K146 PolarHBondContact O-N 3.4Å; K146-Q148 PolarHBondContact O-N 3.38Å
147N30.4Very low28Very low156 Ų156163.3 Ų163.383%0.83480%0.804SS**  trans-44.4132.9-176.3-54.41.6000113.1
148Q25.3Very low28.6Very low179 Ų179160.9 Ų160.984%0.83680%0.803SS**  trans-153.983.5159.1-147.8170.714.600112.6K146K146-Q148 PolarHBondContact O-N 3.38Å
149E24.5Very low28.4Very low202 Ų202162.8 Ų162.894%0.94481%0.814SS**  trans-108.585.5151.8-85.4-156.2134.500109.3
150K27.5Very low28.5Very low168 Ų168161.8 Ų161.873%0.7382%0.816SS**  trans-179.3128.6160.9-110.3-172.6175.2-162.10106.3
151D24.9Very low28.6Very low137 Ų137163.1 Ų163.173%0.73382%0.824SS**  cis-155.3166.448.5-78.5-44.9000113.1
152S24.3Very low28.6Very low115 Ų115158.7 Ų158.780%0.80482%0.824SS**  trans-165.5147.6147.6-80.80000109.9
153M25.1Very low29Very low165 Ų165157 Ų15781%0.81382%0.822SS**  trans69.5133.1-173.6-56.5-178.276.600115.2
154E27.3Very low28.8Very low165 Ų165156.9 Ų156.977%0.77182%0.821SS**  cis-160.3168.6-17.1-134167172.800110.1
155N29.6Very low28.9Very low156 Ų156156.5 Ų156.583%0.83482%0.819SS**  trans-87.4137.6-176.5-49.3-84000112.8
156V29.3Very low29.2Very low134 Ų134157.7 Ų157.781%0.81282%0.82SS**  trans-148.4130.7151.4175.20000111.2
157D30.3Very low29.4Very low151 Ų151154 Ų15481%0.80782%0.819SS**  trans29.9144.4162.6-69.2-54.4000125.9
158P44.6Very low29.3Very low119 Ų119154.1 Ų154.177%0.77382%0.82SS**  trans-102.8136.1170.738-29.8000113.9
159A28Very low29.9Very low96 Ų96151.8 Ų151.879%0.79382%0.82SS**  trans-155.415116900000115.1
160L32.1Very low29.9Very low175 Ų175147.2 Ų147.292%0.91681%0.81SS**  trans74.3158.4168.6-55.4-177.4000118.3
161Q30Very low30.2Very low180 Ų180143.9 Ų143.984%0.84181%0.814SS**  trans-133.8151.1-153.6-56.7158.6-6.200110.2
162T28.4Very low30.4Very low141 Ų141145 Ų14587%0.86582%0.815SS**  -167.9151123.320.60000110.7
163P38.3Very low30.8Very low115 Ų115146.8 Ų146.875%0.74781%0.811SS**  trans-99.6-177.6-177.440.2-36000113.5
164R26.1Very low30.9Very low224 Ų224145.8 Ų145.885%0.84580%0.804SS**  trans84.6147.7173.4-69.4-172.1179.1-160.7-0116.7
165D27.9Very low31.1Very low141 Ų141145.3 Ų145.375%0.75480%0.802SS**  cis-123.3164.91.5-92.3-49.2000112.7
166E33.4Very low31.3Very low196 Ų196145.9 Ų145.992%0.91680%0.799SS**  trans-88.6135175.7-65.2-178.1104.200112.6
167S29.5Very low31.4Very low118 Ų118148.5 Ų148.583%0.82580%0.802SS**  trans-156.278.5160.768.70000114
168N29.8Very low32.3Very low160 Ų160147.9 Ų147.986%0.85679%0.789SS**  trans49.9140.5161.4-76.8-21.3000121.5
169P36.2Very low32.6Very low129 Ų129153 Ų15384%0.83879%0.793SS**  trans-83.1119.7176.633.2-33000112.7
170S24.9Very low34.4Very low106 Ų106156.9 Ų156.974%0.74179%0.792SS**  trans-89.2136.5154.251.50000109.2E172S170-E172 PolarHBondContact O-N 3.37Å; S170-E172 VanDerWaalsContact O-N 3.16Å
171A34.9Very low36.5Very low99 Ų99150.3 Ų150.382%0.81876%0.757SS**  trans-71.4110.8179.600000110.4E173A171-E173 VanDerWaalsContact C-N 3.28Å; A171-E173 PolarHBondContact O-N 3.35Å
172E29Very low39Very low161 Ų161144.6 Ų144.675%0.75274%0.735SS**  trans-69.287.6165.5-72.4-166.6168.200109.8S170 Q174S170-E172 PolarHBondContact O-N 3.37Å; S170-E172 VanDerWaalsContact O-N 3.16Å; E172-Q174 VanDerWaalsContact C-N 3.32Å; E172-Q174 PolarHBondContact O-N 3.21Å
173E31.5Very low41.6Very low151 Ų151143.7 Ų143.771%0.70672%0.724SS**  trans-59.6100155.6-71.5-162.115400108.2A171 Q175A171-E173 VanDerWaalsContact C-N 3.28Å; A171-E173 PolarHBondContact O-N 3.35Å; E173-Q175 HydrophobicContact CB-CG 4.37Å; E173-Q175 PolarHBondContact O-N 3.33Å; E173-Q175 PolarHBondContact OE2-NE2 3.11Å
174Q28.5Very low43.8Very low144 Ų144144 Ų14467%0.67372%0.716SS**  trans-72.664.3172.8-68-170.7-3.300110.8E172 H176E172-Q174 VanDerWaalsContact C-N 3.32Å; E172-Q174 PolarHBondContact O-N 3.21Å; Q174-H176 PolarHBondContact O-N 2.73Å; Q174-H176 PolarHBondContact O-ND1 3.47Å
175Q31.4Very low46.6Very low156 Ų156136.4 Ų136.473%0.72969%0.692SS**  trans-52104.4164.6-67.6-170.14.400107.4E173 Q177E173-Q175 HydrophobicContact CB-CG 4.37Å; E173-Q175 PolarHBondContact O-N 3.33Å; E173-Q175 PolarHBondContact OE2-NE2 3.11Å; Q175-Q177 VanDerWaalsContact C-N 3.31Å; Q175-Q177 PolarHBondContact O-N 3.37Å
176H32.8Very low49.4Very low168 Ų168130.9 Ų130.978%0.77866%0.661SS**  trans-65.196.1177.3-86.647.8000107.8Q174 R178Q174-H176 PolarHBondContact O-N 2.73Å; Q174-H176 PolarHBondContact O-ND1 3.47Å; H176-R178 PolarHBondContact O-N 2.84Å
177Q32.2Very low52Low188 Ų188123.4 Ų123.488%0.87963%0.626SS**  trans-59.5101.5-172.8-155.9170.533.800108.9Q175 R179Q175-Q177 VanDerWaalsContact C-N 3.31Å; Q175-Q177 PolarHBondContact O-N 3.37Å; Q177-R179 PolarHBondContact O-N 3.17Å
178R48Very low54.8Low139 Ų139122.1 Ų122.153%0.52561%0.607SS.*  trans-64.7111.4-165.1-168.3178.2-172.3159.86.3108.5H176 K180 V687 Q688H176-R178 PolarHBondContact O-N 2.84Å; R178-K180 PolarHBondContact O-N 2.98Å; R178-V687 VanDerWaalsContact CZ-O 3.31Å; R178-V687 VanDerWaalsContact NH1-CG1 3.31Å; R178-V687 PolarHBondContact NH1-O 3.39Å; R178-Q688 HydrophobicContact CG-CG 4.19Å
179R52.7Low57.5Low226 Ų226115.6 Ų115.685%0.85357%0.572SS**PPolyproline II helixtrans-56.3138.4-179.9-70.2-176.9176.1-177.7-3.3109.6Q177 Q688Q177-R179 PolarHBondContact O-N 3.17Å; R179-Q688 PolarHBondContact O-OE1 3.16Å
180K65.1Low60.1Low178 Ų178110.4 Ų110.477%0.77454%0.536SS*.PPolyproline II helixtrans-67.2138171.5-64.7-177.8179.3-178.70108.8R178 T182R178-K180 PolarHBondContact O-N 2.98Å; K180-T182 PolarHBondContact O-N 3.44Å
181L75.6Confident63.2Low36 Ų36107.7 Ų107.719%0.18851%0.509CS..PPolyproline II helixtrans-59.2122.6177.3-155.271.1000109.1D185 E186 I189 I681 L684 R685L181-D185 HydrophobicContact CD1-CB 3.66Å; L181-D185 HydrophobicContact CG-CB 4.05Å; L181-E186 HydrophobicContact CD2-CG 3.61Å; L181-E186 HydrophobicContact CG-CG 4Å; L181-I189 HydrophobicContact CD1-CD1 4.25Å; L181-I681 HydrophobicContact CD2-CG2 4.12Å; L181-L684 HydrophobicContact CD1-CB 4.38Å; L181-L684 HydrophobicContact CD1-CD1 4.41Å; L181-L684 HydrophobicContact CD2-CB 4.14Å; L181-R685 HydrophobicContact CD2-CG 3.9Å
182T83.9Confident65.8Low60 Ų60104.9 Ų104.937%0.36848%0.481SS..PPolyproline II helixtrans-90.6166.8177.963.50000110.7K180 E184 D185 E186K180-T182 PolarHBondContact O-N 3.44Å; T182-E184 WeakPolarHBondContact CB-OE2 3.49Å; T182-E184 PolarHBondContact O-N 3.15Å; T182-D185 WeakPolarHBondContact CB-OD2 3.33Å; T182-D185 PolarHBondContact N-OD2 2.89Å; T182-D185 PolarHBondContact O-N 3.05Å; T182-D185 PolarHBondContact OG1-N 2.94Å; T182-D185 PolarHBondContact OG1-OD2 3.25Å; T182-E186 PolarHBondContact O-N 2.99Å; T182-E186 VanDerWaalsContact O-N 3.15Å
183L82.9Confident68.6Low122 Ų12299.4 Ų99.464%0.63946%0.458SS*.Hα-helixtrans-69.3-24.9175.7-66.3175.7000111Q187L183-Q187 WeakPolarHBondContact O-CB 3.33Å; L183-Q187 WeakPolarHBondContact O-CG 3.14Å; L183-Q187 PolarHBondContact O-N 2.85Å; L183-Q187 VanDerWaalsContact O-N 3.07Å; L183-Q187 PolarHBondContact O-NE2 2.97Å
184E83.1Confident71.4Confident122 Ų12292.2 Ų92.257%0.5743%0.425SS*.Hα-helixtrans-67.7-50171.7-63.272-165.700110.6T182 E186 Q187 E188T182-E184 WeakPolarHBondContact CB-OE2 3.49Å; T182-E184 PolarHBondContact O-N 3.15Å; E184-E186 VanDerWaalsContact C-N 3.27Å; E184-E186 PolarHBondContact O-N 3.2Å; E184-Q187 WeakPolarHBondContact O-CB 3.39Å; E184-Q187 PolarHBondContact O-N 3.18Å; E184-Q187 VanDerWaalsContact O-N 3.1Å; E184-E188 WeakPolarHBondContact O-CG 3.05Å; E184-E188 PolarHBondContact O-N 3.2Å
185D84.3Confident74.2Confident65 Ų6586 Ų8635%0.34840%0.396SS..Hα-helixtrans-56.5-41.5174.7-63.3-58.8000111.3L181 T182 E188 I189L181-D185 HydrophobicContact CD1-CB 3.66Å; L181-D185 HydrophobicContact CG-CB 4.05Å; T182-D185 WeakPolarHBondContact CB-OD2 3.33Å; T182-D185 PolarHBondContact N-OD2 2.89Å; T182-D185 PolarHBondContact O-N 3.05Å; T182-D185 PolarHBondContact OG1-N 2.94Å; T182-D185 PolarHBondContact OG1-OD2 3.25Å; D185-E188 PolarHBondContact O-N 3.4Å; D185-I189 WeakPolarHBondContact O-CD1 3.48Å; D185-I189 VanDerWaalsContact O-CG1 3.24Å; D185-I189 WeakPolarHBondContact O-CG1 3.4Å; D185-I189 PolarHBondContact O-N 2.71Å
186E87.2Confident76.9Confident25 Ų2581.8 Ų81.812%0.11738%0.378CS..Hα-helixtrans-65.7-40.7176.8-70.3-174.7-165.700112.4L181 T182 E184 I189 W190 I681 R685L181-E186 HydrophobicContact CD2-CG 3.61Å; L181-E186 HydrophobicContact CG-CG 4Å; T182-E186 PolarHBondContact O-N 2.99Å; T182-E186 VanDerWaalsContact O-N 3.15Å; E184-E186 VanDerWaalsContact C-N 3.27Å; E184-E186 PolarHBondContact O-N 3.2Å; E186-I189 PolarHBondContact O-N 2.93Å; E186-W190 PolarHBondContact O-N 3.21Å; E186-I681 HydrophobicContact CB-CD1 4.28Å; E186-I681 HydrophobicContact CG-CD1 4.31Å; E186-I681 HydrophobicContact CG-CG1 4.4Å; E186-I681 HydrophobicContact CG-CG2 3.88Å; E186-R685 IonicContact OE1-CZ 3.73Å; E186-R685 IonicContact OE1-NE 3.29Å; E186-R685 PolarHBondContact OE1-NE 3.2Å; E186-R685 IonicContact OE1-NH2 2.86Å; E186-R685 PolarHBondContact OE1-NH2 2.7Å; E186-R685 IonicContact OE2-CZ 2.86Å; E186-R685 IonicContact OE2-NH2 2.72Å; E186-R685 PolarHBondContact OE2-NH2 3.29Å
187Q88.6Confident79.5Confident38 Ų3876.1 Ų76.118%0.17835%0.352CS..Hα-helixtrans-61.2-42.6173.4-84.116689.900112L183 E184 W190 R191 P218 Q219 I222L183-Q187 WeakPolarHBondContact O-CB 3.33Å; L183-Q187 WeakPolarHBondContact O-CG 3.14Å; L183-Q187 PolarHBondContact O-N 2.85Å; L183-Q187 VanDerWaalsContact O-N 3.07Å; L183-Q187 PolarHBondContact O-NE2 2.97Å; E184-Q187 WeakPolarHBondContact O-CB 3.39Å; E184-Q187 PolarHBondContact O-N 3.18Å; E184-Q187 VanDerWaalsContact O-N 3.1Å; Q187-W190 PolarHBondContact O-N 3.09Å; Q187-R191 PolarHBondContact O-N 3.39Å; Q187-R191 VanDerWaalsContact O-N 3.1Å; Q187-P218 HydrophobicContact CB-CB 3.79Å; Q187-P218 HydrophobicContact CB-CG 3.73Å; Q187-P218 HydrophobicContact CG-CB 4.18Å; Q187-P218 HydrophobicContact CG-CG 4.11Å; Q187-P218 WeakPolarHBondContact O-CB 3.4Å; Q187-Q219 HydrophobicContact CG-CG 4.5Å; Q187-I222 HydrophobicContact CG-CD1 3.66Å
188E87.3Confident82.2Confident92 Ų9267.2 Ų67.243%0.4331%0.31SS..Hα-helixtrans-63-41.8174.5-59.9-137.2108.900111.4E184 D185 W190 R191 D192E184-E188 WeakPolarHBondContact O-CG 3.05Å; E184-E188 PolarHBondContact O-N 3.2Å; D185-E188 PolarHBondContact O-N 3.4Å; E188-W190 PolarHBondContact O-N 2.91Å; E188-R191 VanDerWaalsContact CD-NH2 3.28Å; E188-R191 PolarHBondContact O-N 3.37Å; E188-R191 IonicContact OE1-CZ 2.75Å; E188-R191 IonicContact OE1-NH1 3.77Å; E188-R191 PolarHBondContact OE1-NH1 2.85Å; E188-R191 IonicContact OE1-NH2 3.43Å; E188-R191 PolarHBondContact OE1-NH2 2.88Å; E188-R191 IonicContact OE2-NH2 3.34Å; E188-D192 VanDerWaalsContact O-CB 3.32Å; E188-D192 WeakPolarHBondContact O-CB 3.39Å; E188-D192 PolarHBondContact O-N 2.8Å
189I88.2Confident84Confident23 Ų2362.5 Ų62.512%0.11829%0.294CS..Hα-helixtrans-60.1-43.5175.5-69.8159.5000111.9L181 D185 E186 V193 I677 I681 L684L181-I189 HydrophobicContact CD1-CD1 4.25Å; D185-I189 WeakPolarHBondContact O-CD1 3.48Å; D185-I189 VanDerWaalsContact O-CG1 3.24Å; D185-I189 WeakPolarHBondContact O-CG1 3.4Å; D185-I189 PolarHBondContact O-N 2.71Å; E186-I189 PolarHBondContact O-N 2.93Å; I189-V193 HydrophobicContact CG2-CG2 4.27Å; I189-V193 WeakPolarHBondContact O-CB 3.4Å; I189-V193 VanDerWaalsContact O-CG2 3.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.43Å; I189-V193 PolarHBondContact O-N 3.28Å; I189-V193 VanDerWaalsContact O-N 3.1Å; I189-I677 HydrophobicContact CG2-CG2 4.05Å; I189-I681 HydrophobicContact CB-CG1 4.43Å; I189-I681 HydrophobicContact CD1-CG1 4.23Å; I189-I681 HydrophobicContact CG2-CD1 4.16Å; I189-I681 HydrophobicContact CG2-CG1 3.86Å; I189-L684 HydrophobicContact CD1-CD1 3.53Å
190W90.8Very high85.6Confident19 Ų1959.3 Ų59.37%0.07228%0.282CS..Hα-helixtrans-63.7-40.3176.8-79.6103.2000112.5E186 Q187 E188 T194 I222 M225 R674 I677 I681E186-W190 PolarHBondContact O-N 3.21Å; Q187-W190 PolarHBondContact O-N 3.09Å; E188-W190 PolarHBondContact O-N 2.91Å; W190-T194 VanDerWaalsContact O-CB 3.28Å; W190-T194 WeakPolarHBondContact O-CB 3.5Å; W190-T194 PolarHBondContact O-N 2.91Å; W190-T194 PolarHBondContact O-OG1 2.77Å; W190-I222 HydrophobicContact CB-CD1 4.38Å; W190-I222 HydrophobicContact CB-CG1 3.87Å; W190-I222 VanDerWaalsContact CD1-CG1 3.42Å; W190-I222 HydrophobicContact CD2-CG1 3.99Å; W190-I222 HydrophobicContact CG-CD1 4.1Å; W190-I222 HydrophobicContact CG-CG1 3.49Å; W190-I222 VanDerWaalsContact CG-CG1 3.49Å; W190-M225 HydrophobicContact CE3-CE 4.1Å; W190-M225 HydrophobicContact CE3-SD 4.32Å; W190-M225 HydrophobicContact CZ3-CB 4.39Å; W190-M225 HydrophobicContact CZ3-CE 4.11Å; W190-M225 HydrophobicContact CZ3-SD 3.75Å; W190-R674 HydrophobicContact CH2-CG 3.93Å; W190-R674 HydrophobicContact CZ3-CG 4.35Å; W190-I677 HydrophobicContact CD2-CB 4.36Å; W190-I677 HydrophobicContact CD2-CD1 4.42Å; W190-I677 HydrophobicContact CD2-CG2 3.44Å; W190-I677 VanDerWaalsContact CD2-CG2 3.44Å; W190-I677 HydrophobicContact CE3-CB 4Å; W190-I677 HydrophobicContact CE3-CD1 3.56Å; W190-I677 HydrophobicContact CE3-CG1 4.37Å; W190-I677 HydrophobicContact CE3-CG2 3.56Å; W190-I677 HydrophobicContact CG-CG2 3.99Å; W190-I677 HydrophobicContact CH2-CB 3.92Å; W190-I677 HydrophobicContact CH2-CG2 3.85Å; W190-I677 HydrophobicContact CZ2-CB 4.32Å; W190-I677 HydrophobicContact CZ2-CG2 3.77Å; W190-I677 HydrophobicContact CZ3-CB 3.77Å; W190-I677 HydrophobicContact CZ3-CD1 3.72Å; W190-I677 HydrophobicContact CZ3-CG1 4.33Å; W190-I677 HydrophobicContact CZ3-CG2 3.76Å; W190-I681 HydrophobicContact CZ2-CD1 4.5Å
191R90.2Very high86.6Confident49 Ų4951.9 Ų51.919%0.18525%0.25CS..Hα-helixtrans-63.3-59.5174178.8-169.269.5-146.7-6.5110.8Q187 E188 V193 T194 L195 V216 P218Q187-R191 PolarHBondContact O-N 3.39Å; Q187-R191 VanDerWaalsContact O-N 3.1Å; E188-R191 VanDerWaalsContact CD-NH2 3.28Å; E188-R191 PolarHBondContact O-N 3.37Å; E188-R191 IonicContact OE1-CZ 2.75Å; E188-R191 IonicContact OE1-NH1 3.77Å; E188-R191 PolarHBondContact OE1-NH1 2.85Å; E188-R191 IonicContact OE1-NH2 3.43Å; E188-R191 PolarHBondContact OE1-NH2 2.88Å; E188-R191 IonicContact OE2-NH2 3.34Å; R191-V193 PolarHBondContact O-N 2.81Å; R191-T194 PolarHBondContact O-N 2.99Å; R191-T194 VanDerWaalsContact O-N 3.15Å; R191-L195 HydrophobicContact CG-CD1 3.79Å; R191-L195 HydrophobicContact CG-CG 4.36Å; R191-L195 WeakPolarHBondContact O-CG 3.4Å; R191-L195 PolarHBondContact O-N 3.26Å; R191-V216 HydrophobicContact CG-CG1 3.93Å; R191-P218 HydrophobicContact CB-CB 4.27Å
192D87.7Confident86.9Confident40 Ų4051.2 Ų51.221%0.21425%0.247CC..Hα-helixtrans-64.4-43.7-167.8-68.84.2000111.6E188 T194 L195 I196E188-D192 VanDerWaalsContact O-CB 3.32Å; E188-D192 WeakPolarHBondContact O-CB 3.39Å; E188-D192 PolarHBondContact O-N 2.8Å; D192-T194 VanDerWaalsContact C-N 3.33Å; D192-T194 PolarHBondContact O-N 2.96Å; D192-L195 PolarHBondContact O-N 2.59Å; D192-I196 VanDerWaalsContact O-CB 3.31Å; D192-I196 WeakPolarHBondContact O-CB 3.4Å; D192-I196 WeakPolarHBondContact O-CD1 3.38Å; D192-I196 WeakPolarHBondContact O-CG1 3.23Å; D192-I196 PolarHBondContact O-N 3.37Å
193V88.3Confident86.7Confident46 Ų4651.4 Ų51.428%0.27926%0.261SS..Hα-helixtrans-67.6-34.4178.1-178.80000111.6I189 R191 H197 L673 I677I189-V193 HydrophobicContact CG2-CG2 4.27Å; I189-V193 WeakPolarHBondContact O-CB 3.4Å; I189-V193 VanDerWaalsContact O-CG2 3.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.43Å; I189-V193 PolarHBondContact O-N 3.28Å; I189-V193 VanDerWaalsContact O-N 3.1Å; R191-V193 PolarHBondContact O-N 2.81Å; V193-H197 WeakPolarHBondContact O-CB 3.4Å; V193-H197 PolarHBondContact O-N 3.14Å; V193-H197 VanDerWaalsContact O-N 3.14Å; V193-L673 HydrophobicContact CG1-CD1 3.99Å; V193-I677 HydrophobicContact CB-CD1 3.99Å; V193-I677 HydrophobicContact CB-CG1 3.85Å; V193-I677 HydrophobicContact CG1-CD1 3.94Å; V193-I677 HydrophobicContact CG1-CG1 3.59Å; V193-I677 HydrophobicContact CG2-CG1 4.44Å
194T89.9Confident86.5Confident1 Ų147.3 Ų47.31%0.00624%0.241CC..Hα-helixtrans-68.5-43.7175.3-57.60000111.4W190 R191 D192 H197 L198 I221W190-T194 VanDerWaalsContact O-CB 3.28Å; W190-T194 WeakPolarHBondContact O-CB 3.5Å; W190-T194 PolarHBondContact O-N 2.91Å; W190-T194 PolarHBondContact O-OG1 2.77Å; R191-T194 PolarHBondContact O-N 2.99Å; R191-T194 VanDerWaalsContact O-N 3.15Å; D192-T194 VanDerWaalsContact C-N 3.33Å; D192-T194 PolarHBondContact O-N 2.96Å; T194-H197 PolarHBondContact O-N 3.36Å; T194-L198 PolarHBondContact O-N 3.29Å; T194-I221 HydrophobicContact CG2-CG2 4.43Å
195L88.6Confident85.7Confident14 Ų1447.5 Ų47.57%0.07326%0.256CS..Hα-helixtrans-68.7-42.3178.1-67.6-177.9000112.3R191 D192 H197 L198 Q199 L207 L211 V216 L592R191-L195 HydrophobicContact CG-CD1 3.79Å; R191-L195 HydrophobicContact CG-CG 4.36Å; R191-L195 WeakPolarHBondContact O-CG 3.4Å; R191-L195 PolarHBondContact O-N 3.26Å; D192-L195 PolarHBondContact O-N 2.59Å; L195-H197 PolarHBondContact O-N 3.35Å; L195-L198 PolarHBondContact O-N 2.98Å; L195-Q199 WeakPolarHBondContact O-CB 3.49Å; L195-Q199 PolarHBondContact O-N 3.42Å; L195-L207 HydrophobicContact CB-CD1 4.01Å; L195-L207 HydrophobicContact CD2-CD1 4.08Å; L195-L207 WeakPolarHBondContact O-CD1 3.39Å; L195-L211 HydrophobicContact CD2-CD2 3.79Å; L195-V216 HydrophobicContact CD2-CG2 4.39Å; L195-L592 HydrophobicContact CD2-CD2 4.46Å
196I87.4Confident85.2Confident66 Ų6646.5 Ų46.534%0.33825%0.254SS..Hα-helixtrans-58.4-38.6173.7-72.4164.9000110.9D192 R200 M708D192-I196 VanDerWaalsContact O-CB 3.31Å; D192-I196 WeakPolarHBondContact O-CB 3.4Å; D192-I196 WeakPolarHBondContact O-CD1 3.38Å; D192-I196 WeakPolarHBondContact O-CG1 3.23Å; D192-I196 PolarHBondContact O-N 3.37Å; I196-R200 WeakPolarHBondContact O-CB 3.46Å; I196-R200 PolarHBondContact O-N 2.88Å; I196-M708 HydrophobicContact CG2-CE 4.02Å
197H87.3Confident84.5Confident50 Ų5045.7 Ų45.723%0.23125%0.251CS..Hα-helixtrans-73.3-40.5178.2-163.842.5000112.3V193 T194 L195 Q199 R200 I201 L588 Y672 L673V193-H197 WeakPolarHBondContact O-CB 3.4Å; V193-H197 PolarHBondContact O-N 3.14Å; V193-H197 VanDerWaalsContact O-N 3.14Å; T194-H197 PolarHBondContact O-N 3.36Å; L195-H197 PolarHBondContact O-N 3.35Å; H197-Q199 PolarHBondContact O-N 2.65Å; H197-R200 WeakPolarHBondContact O-CB 3.5Å; H197-R200 PolarHBondContact O-N 3.48Å; H197-I201 WeakPolarHBondContact O-CD1 3.41Å; H197-I201 WeakPolarHBondContact O-CG1 3.34Å; H197-I201 PolarHBondContact O-N 3.41Å; H197-L588 HydrophobicContact CB-CD1 4.07Å; H197-Y672 AromaticContact NE2-CE2 3.07Å; H197-Y672 WeakPolarHBondContact NE2-CE2 3.48Å; H197-Y672 AromaticContact NE2-CZ 2.88Å; H197-Y672 PolarHBondContact NE2-OH 3.35Å; H197-L673 HydrophobicContact CB-CD1 4.49Å
198L88.6Confident83.2Confident1 Ų148.6 Ų48.61%0.00527%0.267CS..Hα-helixtrans-60.1-44.4172178.559.6000111.9T194 L195 R200 I201 L202 L207 L297 A585 L588T194-L198 PolarHBondContact O-N 3.29Å; L195-L198 PolarHBondContact O-N 2.98Å; L198-R200 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.28Å; L198-I201 PolarHBondContact O-N 3.24Å; L198-L202 HydrophobicContact CD1-CD1 3.86Å; L198-L202 HydrophobicContact CD1-CG 4.16Å; L198-L202 HydrophobicContact CG-CD1 4.14Å; L198-L202 WeakPolarHBondContact O-CG 3.25Å; L198-L202 PolarHBondContact O-N 3.3Å; L198-L207 HydrophobicContact CD2-CD1 4.47Å; L198-L207 HydrophobicContact CG-CD2 4.4Å; L198-L297 HydrophobicContact CD2-CD1 4.32Å; L198-A585 HydrophobicContact CD1-CB 4.27Å; L198-L588 HydrophobicContact CB-CB 4.45Å; L198-L588 HydrophobicContact CB-CD1 3.88Å; L198-L588 HydrophobicContact CD1-CB 4.33Å
199Q86.3Confident82Confident40 Ų4052.8 Ų52.819%0.18729%0.287CS..Hα-helixtrans-58.1-44.8173.5-172.9-178.21.700111.5L195 H197 I201 L202 G203 V204 S205 L207L195-Q199 WeakPolarHBondContact O-CB 3.49Å; L195-Q199 PolarHBondContact O-N 3.42Å; H197-Q199 PolarHBondContact O-N 2.65Å; Q199-I201 VanDerWaalsContact C-N 3.35Å; Q199-I201 PolarHBondContact O-N 2.94Å; Q199-L202 PolarHBondContact O-N 3.23Å; Q199-G203 PolarHBondContact O-N 3.4Å; Q199-V204 HydrophobicContact CG-CG2 4.11Å; Q199-V204 WeakPolarHBondContact CG-O 3.12Å; Q199-V204 PolarHBondContact NE2-O 3.44Å; Q199-S205 VanDerWaalsContact NE2-C 3.27Å; Q199-S205 PolarHBondContact NE2-O 2.97Å; Q199-L207 HydrophobicContact CB-CD1 4.07Å; Q199-L207 HydrophobicContact CB-CD2 4.43Å; Q199-L207 HydrophobicContact CB-CG 4Å; Q199-L207 HydrophobicContact CG-CG 4.37Å
200R85.9Confident80.8Confident158 Ų15852.5 Ų52.560%0.59629%0.286SS*.Hα-helixtrans-64-35.7178.7-177.3176.8179.3158.21.9112.9I196 H197 L198 Y709I196-R200 WeakPolarHBondContact O-CB 3.46Å; I196-R200 PolarHBondContact O-N 2.88Å; H197-R200 WeakPolarHBondContact O-CB 3.5Å; H197-R200 PolarHBondContact O-N 3.48Å; L198-R200 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.28Å; R200-Y709 PolarHBondContact NH1-O 3.08Å; R200-Y709 PolarHBondContact NH2-O 3.01Å
201I86.3Confident79.9Confident22 Ų2252 Ų5211%0.11328%0.284CS..Hα-helixtrans-72.4-42.5177-67.4157.5000111H197 L198 Q199 V581 E584 A585 L588H197-I201 WeakPolarHBondContact O-CD1 3.41Å; H197-I201 WeakPolarHBondContact O-CG1 3.34Å; H197-I201 PolarHBondContact O-N 3.41Å; L198-I201 PolarHBondContact O-N 3.24Å; Q199-I201 VanDerWaalsContact C-N 3.35Å; Q199-I201 PolarHBondContact O-N 2.94Å; I201-V581 HydrophobicContact CG2-CG1 3.86Å; I201-E584 HydrophobicContact CD1-CB 3.98Å; I201-E584 HydrophobicContact CG1-CB 4.45Å; I201-E584 HydrophobicContact CG2-CB 4.22Å; I201-A585 HydrophobicContact CG2-CB 3.9Å; I201-L588 HydrophobicContact CD1-CD1 3.58Å; I201-L588 HydrophobicContact CD1-CG 4.34Å
202L82.4Confident78.9Confident22 Ų2254.4 Ų54.412%0.11530%0.301CS..Hα-helixtrans-78.6-17.3179.9-64.1177.4000113.9L198 Q199 V204 L207 V301 L304 A585L198-L202 HydrophobicContact CD1-CD1 3.86Å; L198-L202 HydrophobicContact CD1-CG 4.16Å; L198-L202 HydrophobicContact CG-CD1 4.14Å; L198-L202 WeakPolarHBondContact O-CG 3.25Å; L198-L202 PolarHBondContact O-N 3.3Å; Q199-L202 PolarHBondContact O-N 3.23Å; L202-V204 VanDerWaalsContact C-N 3.27Å; L202-V204 HydrophobicContact CB-CG1 4.29Å; L202-V204 HydrophobicContact CB-CG2 4.19Å; L202-V204 PolarHBondContact O-N 2.97Å; L202-L207 HydrophobicContact CD1-CD2 4.3Å; L202-V301 HydrophobicContact CD1-CG2 4.1Å; L202-V301 HydrophobicContact CD2-CG1 4.46Å; L202-V301 HydrophobicContact CD2-CG2 4.08Å; L202-L304 HydrophobicContact CD2-CD1 4.34Å; L202-A585 HydrophobicContact CD2-CB 3.9Å
203G79Confident77.9Confident65 Ų6557 Ų5767%0.6731%0.312SS*.THydrogen-bonded Turntrans7215.4177.900000114.9Q199Q199-G203 PolarHBondContact O-N 3.4Å
204V79.4Confident76.8Confident35 Ų3565.7 Ų65.721%0.21234%0.34CS..  trans-87148.3-175.1-64.20000112.6Q199 L202 S206 L207 L304Q199-V204 HydrophobicContact CG-CG2 4.11Å; Q199-V204 WeakPolarHBondContact CG-O 3.12Å; Q199-V204 PolarHBondContact NE2-O 3.44Å; L202-V204 VanDerWaalsContact C-N 3.27Å; L202-V204 HydrophobicContact CB-CG1 4.29Å; L202-V204 HydrophobicContact CB-CG2 4.19Å; L202-V204 PolarHBondContact O-N 2.97Å; V204-S206 VanDerWaalsContact CG2-O 3.23Å; V204-S206 WeakPolarHBondContact CG2-O 3.22Å; V204-L207 HydrophobicContact CG2-CD2 3.91Å; V204-L304 HydrophobicContact CG1-CD1 4.43Å
205S67.1Low75.8Confident126 Ų12669.5 Ų69.588%0.88136%0.357SS*.SBendtrans-77.4-23.1-175.2-56.80000114.3Q199Q199-S205 VanDerWaalsContact NE2-C 3.27Å; Q199-S205 PolarHBondContact NE2-O 2.97Å
206S72.6Confident75.5Confident45 Ų4569.3 Ų69.332%0.31536%0.357SS..  trans-145.9165158.6-166.70000109.1V204 D208V204-S206 VanDerWaalsContact CG2-O 3.23Å; V204-S206 WeakPolarHBondContact CG2-O 3.22Å; S206-D208 WeakPolarHBondContact CB-OD2 3.36Å; S206-D208 PolarHBondContact OG-N 2.84Å; S206-D208 PolarHBondContact OG-OD2 3.22Å
207L71.9Confident75.4Confident8 Ų869.3 Ų69.34%0.04236%0.357CS..SBendtrans-88.5-7.8168.6-73.6172.6000113L195 L198 Q199 L202 V204 E209 V210 L211L195-L207 HydrophobicContact CB-CD1 4.01Å; L195-L207 HydrophobicContact CD2-CD1 4.08Å; L195-L207 WeakPolarHBondContact O-CD1 3.39Å; L198-L207 HydrophobicContact CD2-CD1 4.47Å; L198-L207 HydrophobicContact CG-CD2 4.4Å; Q199-L207 HydrophobicContact CB-CD1 4.07Å; Q199-L207 HydrophobicContact CB-CD2 4.43Å; Q199-L207 HydrophobicContact CB-CG 4Å; Q199-L207 HydrophobicContact CG-CG 4.37Å; L202-L207 HydrophobicContact CD1-CD2 4.3Å; V204-L207 HydrophobicContact CG2-CD2 3.91Å; L207-E209 PolarHBondContact O-N 3.05Å; L207-E209 VanDerWaalsContact O-N 3.08Å; L207-V210 CarbonylContact O-C 3.59Å; L207-V210 WeakPolarHBondContact O-CA 3.43Å; L207-V210 PolarHBondContact O-N 3.19Å; L207-L211 PolarHBondContact O-N 2.89Å
208D62Low75.4Confident98 Ų9867.9 Ų67.952%0.52435%0.353SS..THydrogen-bonded Turntrans-62.4-19.4-174.8-49.9-46.1000114.4S206 Q213S206-D208 WeakPolarHBondContact CB-OD2 3.36Å; S206-D208 PolarHBondContact OG-N 2.84Å; S206-D208 PolarHBondContact OG-OD2 3.22Å; D208-Q213 PolarHBondContact OD1-NE2 3.04Å
209E61.9Low75.4Confident181 Ų18173.2 Ų73.285%0.84638%0.378SS*.THydrogen-bonded Turntrans-89.20.4173.8-62.1-175.3167.500113.2L207L207-E209 PolarHBondContact O-N 3.05Å; L207-E209 VanDerWaalsContact O-N 3.08Å
210V62.3Low75.7Confident16 Ų1672.5 Ų72.510%0.09738%0.375CS..THydrogen-bonded Turntrans-135.1-27.5-168.2-1800000112.9L207 L297 N300L207-V210 CarbonylContact O-C 3.59Å; L207-V210 WeakPolarHBondContact O-CA 3.43Å; L207-V210 PolarHBondContact O-N 3.19Å; V210-L297 HydrophobicContact CG1-CD1 3.81Å; V210-N300 HydrophobicContact CG1-CB 3.92Å
211L72.2Confident75.9Confident8 Ų865 Ų654%0.04235%0.347CS..  trans-155117-178175.560.7000110.6L195 L207 Q213 V216 L294 L297 L592L195-L211 HydrophobicContact CD2-CD2 3.79Å; L207-L211 PolarHBondContact O-N 2.89Å; L211-Q213 PolarHBondContact O-N 3.3Å; L211-Q213 VanDerWaalsContact O-N 3.11Å; L211-V216 HydrophobicContact CD1-CG2 4.2Å; L211-V216 HydrophobicContact CD2-CG2 3.74Å; L211-V216 HydrophobicContact CG-CG2 4.06Å; L211-L294 HydrophobicContact CD1-CD2 3.56Å; L211-L297 HydrophobicContact CB-CD1 4.48Å; L211-L297 HydrophobicContact CD1-CD2 4.27Å; L211-L297 HydrophobicContact CD2-CD2 4.17Å; L211-L592 HydrophobicContact CD2-CD1 3.87Å
212D69.1Low76.2Confident100 Ų10066 Ų6654%0.53535%0.352SS..  trans-63.3110.7169-118.6-29.9000109.8R214 H215D212-R214 PolarHBondContact O-N 3.46Å; D212-H215 WeakPolarHBondContact CB-ND1 3.15Å; D212-H215 PolarHBondContact O-N 3.06Å; D212-H215 VanDerWaalsContact O-N 3.09Å; D212-H215 IonicContact OD2-CE1 3.27Å; D212-H215 IonicContact OD2-ND1 3.57Å
213Q67.9Low76.6Confident94 Ų9466.1 Ų66.144%0.43935%0.352SS..G310 helixtrans-58.1-18.4-176-55.9-172.126.900113.4D208 L211 V216D208-Q213 PolarHBondContact OD1-NE2 3.04Å; L211-Q213 PolarHBondContact O-N 3.3Å; L211-Q213 VanDerWaalsContact O-N 3.11Å; Q213-V216 PolarHBondContact O-N 3.24Å
214R65.4Low77.2Confident230 Ų23063 Ų6387%0.86832%0.32SS*.G310 helixtrans-73-26179.9-63.1-179.6179.4-174.30.6114.1D212 V216D212-R214 PolarHBondContact O-N 3.46Å; R214-V216 VanDerWaalsContact C-N 3.29Å
215H69.1Low77.7Confident80 Ų8061.3 Ų61.337%0.3731%0.31SS..G310 helixtrans-83.8-6.5177.9-57.1114.3000112.4D212 N217 E293D212-H215 WeakPolarHBondContact CB-ND1 3.15Å; D212-H215 PolarHBondContact O-N 3.06Å; D212-H215 VanDerWaalsContact O-N 3.09Å; D212-H215 IonicContact OD2-CE1 3.27Å; D212-H215 IonicContact OD2-ND1 3.57Å; H215-N217 PolarHBondContact O-N 3.18Å; H215-N217 VanDerWaalsContact O-N 3.15Å; H215-E293 HydrophobicContact CB-CB 4.27Å; H215-E293 IonicContact CD2-OE2 3.15Å
216V81.2Confident78.8Confident10 Ų1058.5 Ų58.56%0.06129%0.287CS..  trans-8393-179.1-176.80000111R191 L195 L211 Q213 R214 P218 I221 L592R191-V216 HydrophobicContact CG-CG1 3.93Å; L195-V216 HydrophobicContact CD2-CG2 4.39Å; L211-V216 HydrophobicContact CD1-CG2 4.2Å; L211-V216 HydrophobicContact CD2-CG2 3.74Å; L211-V216 HydrophobicContact CG-CG2 4.06Å; Q213-V216 PolarHBondContact O-N 3.24Å; R214-V216 VanDerWaalsContact C-N 3.29Å; V216-P218 WeakPolarHBondContact O-CD 3.28Å; V216-I221 HydrophobicContact CG1-CD1 3.86Å; V216-L592 HydrophobicContact CG1-CD2 3.82Å
217N86.1Confident79.7Confident66 Ų6658.4 Ų58.435%0.35328%0.283SS..  trans-73.7116.1170.4-175.7-14000110.8H215 Q219 N220H215-N217 PolarHBondContact O-N 3.18Å; H215-N217 VanDerWaalsContact O-N 3.15Å; N217-Q219 PolarHBondContact O-N 3.25Å; N217-Q219 VanDerWaalsContact OD1-CB 3.31Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.39Å; N217-Q219 PolarHBondContact OD1-N 3.16Å; N217-N220 WeakPolarHBondContact O-CB 3.41Å; N217-N220 PolarHBondContact O-N 2.9Å
218P86.9Confident80.5Confident21 Ų2159.9 Ų59.914%0.13629%0.292CS..Hα-helixtrans-63.6-26.9179.425.6-34.4000113.8Q187 R191 V216 N220 I221 I222Q187-P218 HydrophobicContact CB-CB 3.79Å; Q187-P218 HydrophobicContact CB-CG 3.73Å; Q187-P218 HydrophobicContact CG-CB 4.18Å; Q187-P218 HydrophobicContact CG-CG 4.11Å; Q187-P218 WeakPolarHBondContact O-CB 3.4Å; R191-P218 HydrophobicContact CB-CB 4.27Å; V216-P218 WeakPolarHBondContact O-CD 3.28Å; P218-N220 VanDerWaalsContact C-N 3.31Å; P218-N220 PolarHBondContact O-N 3.48Å; P218-I221 WeakPolarHBondContact O-CB 3.25Å; P218-I221 PolarHBondContact O-N 2.92Å; P218-I222 WeakPolarHBondContact O-CG1 3.37Å; P218-I222 PolarHBondContact O-N 3.22Å
219Q88.9Confident81.7Confident113 Ų11358.8 Ų58.853%0.52829%0.287SS..Hα-helixtrans-67.9-33.1-179.1-58.1178.3-0.500111.7Q187 N217 I222 H223Q187-Q219 HydrophobicContact CG-CG 4.5Å; N217-Q219 PolarHBondContact O-N 3.25Å; N217-Q219 VanDerWaalsContact OD1-CB 3.31Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.39Å; N217-Q219 PolarHBondContact OD1-N 3.16Å; Q219-I222 PolarHBondContact O-N 3.18Å; Q219-H223 WeakPolarHBondContact O-CB 3.43Å; Q219-H223 PolarHBondContact O-N 3.48Å
220N91.4Very high82.8Confident25 Ų2558.9 Ų58.913%0.13428%0.284CS..Hα-helixtrans-58.7-49.6170.9-68.4-6000110.2N217 P218 I222 H223 N224 L592 P595N217-N220 WeakPolarHBondContact O-CB 3.41Å; N217-N220 PolarHBondContact O-N 2.9Å; P218-N220 VanDerWaalsContact C-N 3.31Å; P218-N220 PolarHBondContact O-N 3.48Å; N220-I222 PolarHBondContact O-N 2.7Å; N220-H223 PolarHBondContact O-N 3.15Å; N220-N224 WeakPolarHBondContact O-CB 3.28Å; N220-N224 PolarHBondContact O-N 2.86Å; N220-N224 PolarHBondContact O-ND2 2.86Å; N220-L592 WeakPolarHBondContact CB-O 3.46Å; N220-L592 PolarHBondContact ND2-O 3.2Å; N220-P595 WeakPolarHBondContact OD1-CD 3.27Å
221I90.8Very high83.7Confident0 Ų063.6 Ų63.60%031%0.305CS..Hα-helixtrans-59.8-48.9-178.3-56.4174.5000110.3T194 V216 P218 N224 M225 L591 L592T194-I221 HydrophobicContact CG2-CG2 4.43Å; V216-I221 HydrophobicContact CG1-CD1 3.86Å; P218-I221 WeakPolarHBondContact O-CB 3.25Å; P218-I221 PolarHBondContact O-N 2.92Å; I221-N224 PolarHBondContact O-N 2.89Å; I221-M225 HydrophobicContact CG2-CE 3.5Å; I221-M225 WeakPolarHBondContact O-CG 3.37Å; I221-M225 PolarHBondContact O-N 3.4Å; I221-M225 VanDerWaalsContact O-N 3.1Å; I221-L591 WeakPolarHBondContact CA-O 3.16Å; I221-L592 HydrophobicContact CD1-CD2 3.84Å; I221-L592 HydrophobicContact CG1-CD2 4.11Å
222I91.8Very high84.2Confident43 Ų4364.3 Ų64.322%0.22131%0.314CS..Hα-helixtrans-56.9-61.5178.3-66.7167.2000109.9Q187 W190 P218 Q219 N220 N224 M225 T226Q187-I222 HydrophobicContact CG-CD1 3.66Å; W190-I222 HydrophobicContact CB-CD1 4.38Å; W190-I222 HydrophobicContact CB-CG1 3.87Å; W190-I222 VanDerWaalsContact CD1-CG1 3.42Å; W190-I222 HydrophobicContact CD2-CG1 3.99Å; W190-I222 HydrophobicContact CG-CD1 4.1Å; W190-I222 HydrophobicContact CG-CG1 3.49Å; W190-I222 VanDerWaalsContact CG-CG1 3.49Å; P218-I222 WeakPolarHBondContact O-CG1 3.37Å; P218-I222 PolarHBondContact O-N 3.22Å; Q219-I222 PolarHBondContact O-N 3.18Å; N220-I222 PolarHBondContact O-N 2.7Å; I222-N224 VanDerWaalsContact C-N 3.29Å; I222-N224 PolarHBondContact O-N 3.44Å; I222-M225 PolarHBondContact O-N 3.29Å; I222-T226 HydrophobicContact CG2-CG2 4.46Å; I222-T226 PolarHBondContact O-N 3.37Å; I222-T226 PolarHBondContact O-OG1 3.33Å
223H91.3Very high85.1Confident24 Ų2460.2 Ų60.211%0.11129%0.293CS..Hα-helixtrans-59-40.1-176-179.7107.4000111.5Q219 N220 M225 T226 N227 T235 E237 P595Q219-H223 WeakPolarHBondContact O-CB 3.43Å; Q219-H223 PolarHBondContact O-N 3.48Å; N220-H223 PolarHBondContact O-N 3.15Å; H223-M225 VanDerWaalsContact C-N 3.27Å; H223-M225 PolarHBondContact O-N 3.19Å; H223-T226 PolarHBondContact O-N 3.35Å; H223-N227 PolarHBondContact CE1-ND2 2.73Å; H223-N227 PolarHBondContact ND1-ND2 3.02Å; H223-N227 WeakPolarHBondContact O-CA 3.43Å; H223-N227 WeakPolarHBondContact O-CB 3.37Å; H223-N227 PolarHBondContact O-N 3.11Å; H223-T235 PolarHBondContact CE1-O 3.4Å; H223-T235 VanDerWaalsContact CE1-O 3.3Å; H223-T235 PolarHBondContact NE2-O 2.79Å; H223-E237 IonicContact CE1-OE1 2.72Å; H223-E237 PolarHBondContact CE1-OE1 3Å; H223-E237 IonicContact ND1-OE1 3.88Å; H223-E237 PolarHBondContact ND1-OE1 2.73Å; H223-P595 HydrophobicContact CB-CG 4.18Å; H223-P595 VanDerWaalsContact CD2-CB 3.46Å; H223-P595 WeakPolarHBondContact CD2-CB 3.31Å; H223-P595 VanDerWaalsContact CD2-CG 3.47Å; H223-P595 WeakPolarHBondContact CD2-CG 3.41Å
224N92.4Very high86.2Confident0 Ų055.7 Ų55.70%027%0.272CS..Hα-helixtrans-66.4-24.6177.3-71.7-29000113.8N220 I221 I222 L591 L593 P595 R598 V669N220-N224 WeakPolarHBondContact O-CB 3.28Å; N220-N224 PolarHBondContact O-N 2.86Å; N220-N224 PolarHBondContact O-ND2 2.86Å; I221-N224 PolarHBondContact O-N 2.89Å; I222-N224 VanDerWaalsContact C-N 3.29Å; I222-N224 PolarHBondContact O-N 3.44Å; N224-L591 HydrophobicContact CB-CD2 3.86Å; N224-L591 PolarHBondContact ND2-O 3.1Å; N224-L593 PolarHBondContact ND2-O 3.41Å; N224-P595 WeakPolarHBondContact OD1-CA 3.42Å; N224-R598 WeakPolarHBondContact OD1-CD 3.42Å; N224-V669 WeakPolarHBondContact O-CG2 3.16Å
225M90.4Very high87.3Confident0 Ų047.2 Ų47.20%025%0.245CC..Hα-helixtrans-92.2-32.9174.8-67.4-149.2-137.100113.5W190 I221 I222 H223 L591 V669 L673 R674 I677W190-M225 HydrophobicContact CE3-CE 4.1Å; W190-M225 HydrophobicContact CE3-SD 4.32Å; W190-M225 HydrophobicContact CZ3-CB 4.39Å; W190-M225 HydrophobicContact CZ3-CE 4.11Å; W190-M225 HydrophobicContact CZ3-SD 3.75Å; I221-M225 HydrophobicContact CG2-CE 3.5Å; I221-M225 WeakPolarHBondContact O-CG 3.37Å; I221-M225 PolarHBondContact O-N 3.4Å; I221-M225 VanDerWaalsContact O-N 3.1Å; I222-M225 PolarHBondContact O-N 3.29Å; H223-M225 VanDerWaalsContact C-N 3.27Å; H223-M225 PolarHBondContact O-N 3.19Å; M225-L591 HydrophobicContact CE-CD1 3.88Å; M225-L591 HydrophobicContact CG-CD1 4.28Å; M225-L591 HydrophobicContact CG-CD2 3.84Å; M225-L591 HydrophobicContact SD-CD1 4.32Å; M225-V669 HydrophobicContact CB-CG1 4.02Å; M225-V669 HydrophobicContact CG-CG1 4.02Å; M225-V669 HydrophobicContact SD-CG1 4.38Å; M225-L673 HydrophobicContact CE-CD2 3.99Å; M225-L673 HydrophobicContact CE-CG 4.44Å; M225-R674 HydrophobicContact CB-CG 4.21Å; M225-R674 WeakPolarHBondContact O-CD 3.48Å; M225-R674 PolarHBondContact O-NH1 2.82Å; M225-R674 HydrophobicContact SD-CB 4.03Å; M225-I677 HydrophobicContact CE-CD1 4.47Å
226T89.8Confident88.1Confident66 Ų6644.9 Ų44.941%0.40524%0.236SC..Hα-helixtrans-93.5-42.2-176.654.20000113.5I222 H223 V228I222-T226 HydrophobicContact CG2-CG2 4.46Å; I222-T226 PolarHBondContact O-N 3.37Å; I222-T226 PolarHBondContact O-OG1 3.33Å; H223-T226 PolarHBondContact O-N 3.35Å; T226-V228 PolarHBondContact O-N 3.27Å; T226-V228 VanDerWaalsContact O-N 3.13Å
227N90.8Very high87.9Confident44 Ų4451.4 Ų51.424%0.23527%0.266CS..SBendtrans-95.867.8-167.4-6333.4000110.1H223 V234 T235 E237H223-N227 PolarHBondContact CE1-ND2 2.73Å; H223-N227 PolarHBondContact ND1-ND2 3.02Å; H223-N227 WeakPolarHBondContact O-CA 3.43Å; H223-N227 WeakPolarHBondContact O-CB 3.37Å; H223-N227 PolarHBondContact O-N 3.11Å; N227-V234 CarbonylContact O-C 3.58Å; N227-V234 WeakPolarHBondContact O-CA 3.43Å; N227-T235 PolarHBondContact O-N 2.89Å; N227-T235 PolarHBondContact O-OG1 3.49Å; N227-T235 VanDerWaalsContact O-OG1 3.09Å; N227-E237 PolarHBondContact ND2-OE1 3.08Å
228V89.1Confident87.6Confident39 Ų3952 Ų5224%0.23627%0.269CS..BIsolated β-bridgetrans-123.6134.8-179.9-690000112.7T226 V233 V234 V669T226-V228 PolarHBondContact O-N 3.27Å; T226-V228 VanDerWaalsContact O-N 3.13Å; V228-V233 WeakPolarHBondContact CA-O 3.48Å; V228-V234 HydrophobicContact CG1-CG2 4.22Å; V228-V669 HydrophobicContact CG1-CG2 3.9Å; V228-V669 HydrophobicContact CG2-CG2 4.38Å
229N87.3Confident87Confident75 Ų7559.5 Ų59.540%0.40130%0.299SS..  trans-67.8163.6173.6-168.6-1.8000110.9H231 G232 V233 T235N229-H231 PolarHBondContact O-N 2.94Å; N229-G232 PolarHBondContact O-N 2.91Å; N229-V233 WeakPolarHBondContact CB-O 3.34Å; N229-V233 PolarHBondContact N-O 3.04Å; N229-T235 HydrophobicContact CB-CG2 3.83Å
230K84.4Confident86.5Confident182 Ų18258.9 Ų58.979%0.79131%0.307SS*.THydrogen-bonded Turntrans-53.7-12.5175.975.3-169.1-179.7-177.30115.6
231H82Confident86Confident115 Ų11561.9 Ų61.953%0.53232%0.323SS..THydrogen-bonded Turntrans-102.511.7175.7-58.2-64.9000113.4N229 V233 R606N229-H231 PolarHBondContact O-N 2.94Å; H231-V233 VanDerWaalsContact C-N 3.3Å; H231-V233 HydrophobicContact CB-CG2 4.44Å; H231-V233 PolarHBondContact O-N 3.19Å; H231-R606 VanDerWaalsContact O-CZ 3.3Å; H231-R606 PolarHBondContact O-NH1 3.15Å; H231-R606 PolarHBondContact O-NH2 2.74Å
232G82.9Confident85.7Confident24 Ų2463.3 Ų63.325%0.24733%0.331CS..SBendtrans69.919.8-178.200000114.9N229 Q602N229-G232 PolarHBondContact O-N 2.91Å; G232-Q602 PolarHBondContact O-NE2 3.34Å
233V87.9Confident85.6Confident13 Ų1361.6 Ų61.68%0.07932%0.322CS..  trans-98.9132.7178.8-174.20000109.6V228 N229 H231 R599 Q602 L603V228-V233 WeakPolarHBondContact CA-O 3.48Å; N229-V233 WeakPolarHBondContact CB-O 3.34Å; N229-V233 PolarHBondContact N-O 3.04Å; H231-V233 VanDerWaalsContact C-N 3.3Å; H231-V233 HydrophobicContact CB-CG2 4.44Å; H231-V233 PolarHBondContact O-N 3.19Å; V233-R599 HydrophobicContact CG1-CG 4.29Å; V233-Q602 VanDerWaalsContact CA-OE1 3.31Å; V233-L603 HydrophobicContact CG1-CD2 4.32Å
234V90.8Very high85.6Confident0 Ų062.7 Ų62.70%033%0.332CS..BIsolated β-bridgetrans-60.5138.5178178.70000111.1N227 V228 L236 P595 R598 R599N227-V234 CarbonylContact O-C 3.58Å; N227-V234 WeakPolarHBondContact O-CA 3.43Å; V228-V234 HydrophobicContact CG1-CG2 4.22Å; V234-L236 HydrophobicContact CG1-CD2 4.34Å; V234-P595 HydrophobicContact CG1-CB 4.07Å; V234-R598 HydrophobicContact CG2-CG 4.17Å; V234-R599 HydrophobicContact CB-CB 4.34Å; V234-R599 WeakPolarHBondContact O-CD 3.33Å; V234-R599 PolarHBondContact O-NH1 3.33Å
235T88.3Confident85.5Confident51 Ų5170.3 Ų70.331%0.31337%0.367SS..  trans-111103.8-179.652.70000110.6H223 N227 N229H223-T235 PolarHBondContact CE1-O 3.4Å; H223-T235 VanDerWaalsContact CE1-O 3.3Å; H223-T235 PolarHBondContact NE2-O 2.79Å; N227-T235 PolarHBondContact O-N 2.89Å; N227-T235 PolarHBondContact O-OG1 3.49Å; N227-T235 VanDerWaalsContact O-OG1 3.09Å; N229-T235 HydrophobicContact CB-CG2 3.83Å
236L86.6Confident85.6Confident32 Ų3276.7 Ų76.717%0.16839%0.391CS..  trans-66.6139177.6-48.9-179.4000110.7V234 D238 D242 P595 A596 R599V234-L236 HydrophobicContact CG1-CD2 4.34Å; L236-D238 VanDerWaalsContact CB-O 3.3Å; L236-D238 WeakPolarHBondContact CB-O 3.48Å; L236-D242 HydrophobicContact CD1-CB 3.96Å; L236-P595 VanDerWaalsContact CD2-C 3.48Å; L236-P595 HydrophobicContact CD2-CB 3.71Å; L236-A596 HydrophobicContact CD1-CB 4.09Å; L236-A596 HydrophobicContact CD2-CB 4.39Å; L236-R599 HydrophobicContact CD2-CB 4.48Å
237E76.3Confident85.8Confident147 Ų14773.6 Ų73.669%0.68737%0.372SS*.SBendtrans-76.8-45.1173.1-71.3155.9-132.900110.3H223 N227H223-E237 IonicContact CE1-OE1 2.72Å; H223-E237 PolarHBondContact CE1-OE1 3Å; H223-E237 IonicContact ND1-OE1 3.88Å; H223-E237 PolarHBondContact ND1-OE1 2.73Å; N227-E237 PolarHBondContact ND2-OE1 3.08Å
238D78.4Confident85.9Confident79 Ų7973.7 Ų73.742%0.42237%0.372SS..  trans-85121.7166.9173.333.4000111.4L236 S240 N241L236-D238 VanDerWaalsContact CB-O 3.3Å; L236-D238 WeakPolarHBondContact CB-O 3.48Å; D238-S240 VanDerWaalsContact CG-OG 3.3Å; D238-S240 WeakPolarHBondContact OD1-CB 3.33Å; D238-S240 PolarHBondContact OD1-N 2.56Å; D238-S240 PolarHBondContact OD1-OG 3.05Å; D238-S240 PolarHBondContact OD2-OG 3.42Å; D238-N241 PolarHBondContact OD2-ND2 2.9Å
239K76.2Confident86Confident178 Ų17874.1 Ų74.177%0.77438%0.377SS*.SBendtrans-81.7-16.3178.1-62.4176.1-175.5171.80113.3N241 D242K239-N241 PolarHBondContact O-N 3Å; K239-D242 WeakPolarHBondContact O-CB 3.44Å; K239-D242 PolarHBondContact O-N 2.89Å
240S76.9Confident86.2Confident99 Ų9971.2 Ų71.269%0.69236%0.363SS*.THydrogen-bonded Turntrans-66.5-29.6-179.586.40000112.4D238D238-S240 VanDerWaalsContact CG-OG 3.3Å; D238-S240 WeakPolarHBondContact OD1-CB 3.33Å; D238-S240 PolarHBondContact OD1-N 2.56Å; D238-S240 PolarHBondContact OD1-OG 3.05Å; D238-S240 PolarHBondContact OD2-OG 3.42Å
241N81.1Confident86.7Confident88 Ų8863.1 Ų63.147%0.47133%0.328SS..THydrogen-bonded Turntrans-86.1-3.1179.3-84.6-78.1000114.8D238 K239 A596 K600D238-N241 PolarHBondContact OD2-ND2 2.9Å; K239-N241 PolarHBondContact O-N 3Å; N241-A596 HydrophobicContact CB-CB 4.18Å; N241-K600 WeakPolarHBondContact O-CE 3.03Å; N241-K600 PolarHBondContact O-NZ 3.37Å
242D85.9Confident87.1Confident31 Ų3162.7 Ų62.717%0.16633%0.325CS..SBendtrans-74.8176.6178.9-156.1-0.4000112.7L236 K239 R599L236-D242 HydrophobicContact CD1-CB 3.96Å; K239-D242 WeakPolarHBondContact O-CB 3.44Å; K239-D242 PolarHBondContact O-N 2.89Å; D242-R599 WeakPolarHBondContact OD1-CD 3.46Å; D242-R599 IonicContact OD1-CZ 3.28Å; D242-R599 IonicContact OD1-NE 3.13Å; D242-R599 PolarHBondContact OD1-NE 3.48Å; D242-R599 IonicContact OD1-NH2 2.74Å; D242-R599 IonicContact OD2-CZ 2.71Å; D242-R599 VanDerWaalsContact OD2-CZ 3.28Å; D242-R599 IonicContact OD2-NE 3.95Å; D242-R599 PolarHBondContact OD2-NE 2.01Å; D242-R599 VanDerWaalsContact OD2-NE 3.13Å; D242-R599 IonicContact OD2-NH2 2.69Å; D242-R599 PolarHBondContact OD2-NH2 3.5Å
243L88.9Confident87.4Confident7 Ų761.7 Ų61.74%0.03731%0.314CS..  trans-66.4133.8166.4-69.9176.5000110.5V247 L248 M251 Y281 F282 K600 L603L243-V247 HydrophobicContact CD2-CG1 4.23Å; L243-L248 HydrophobicContact CB-CD1 4.45Å; L243-L248 HydrophobicContact CB-CD2 3.81Å; L243-L248 HydrophobicContact CB-CG 3.85Å; L243-L248 HydrophobicContact CD1-CD2 3.81Å; L243-L248 HydrophobicContact CG-CD2 4.42Å; L243-M251 HydrophobicContact CD1-SD 3.71Å; L243-Y281 HydrophobicContact CD2-CD1 4.34Å; L243-Y281 HydrophobicContact CD2-CE1 3.37Å; L243-F282 HydrophobicContact CD1-CZ 4.42Å; L243-F282 HydrophobicContact CD2-CE1 4.37Å; L243-F282 HydrophobicContact CD2-CZ 4.03Å; L243-K600 HydrophobicContact CD2-CD 4.28Å; L243-K600 HydrophobicContact CD2-CG 3.77Å; L243-K600 HydrophobicContact CG-CG 3.92Å; L243-L603 HydrophobicContact CD1-CB 4.23Å; L243-L603 HydrophobicContact CD1-CD1 3.77Å
244P92.1Very high87.6Confident47 Ų4761.1 Ų61.131%0.30531%0.311SS..  trans-54146173.1-26.633.7000112.5W246 V247 L248 Y281P244-W246 HydrophobicContact CB-CG 4.36Å; P244-W246 PolarHBondContact O-N 3.14Å; P244-V247 HydrophobicContact CB-CG2 4.1Å; P244-V247 HydrophobicContact CG-CG2 4.17Å; P244-V247 WeakPolarHBondContact O-CA 3.35Å; P244-V247 WeakPolarHBondContact O-CB 3.29Å; P244-V247 PolarHBondContact O-N 2.81Å; P244-L248 PolarHBondContact O-N 2.76Å; P244-L248 VanDerWaalsContact O-N 3.11Å; P244-Y281 WeakPolarHBondContact CD-OH 3.06Å; P244-Y281 HydrophobicContact CG-CE2 3.88Å
245H89.8Confident87.6Confident159 Ų15962.1 Ų62.174%0.73632%0.319SS*.Hα-helixtrans-59.1-28.3-173-132.5-61.9000113.7S249H245-S249 PolarHBondContact O-N 2.89Å; H245-S249 PolarHBondContact O-OG 3Å
246W92.6Very high87.6Confident135 Ų13563.4 Ų63.451%0.51132%0.324SS..Hα-helixtrans-72.4-38.1174.465.4-101.3000112.7P244 S249 A250 T277 Y281P244-W246 HydrophobicContact CB-CG 4.36Å; P244-W246 PolarHBondContact O-N 3.14Å; W246-S249 PolarHBondContact O-N 3.45Å; W246-A250 WeakPolarHBondContact O-CB 3.45Å; W246-A250 PolarHBondContact O-N 3.04Å; W246-T277 HydrophobicContact CH2-CG2 4.37Å; W246-T277 HydrophobicContact CZ3-CG2 3.77Å; W246-Y281 AromaticContact CH2-CD2 3.97Å; W246-Y281 HydrophobicContact CH2-CD2 3.97Å; W246-Y281 HydrophobicContact CH2-CG 4.24Å; W246-Y281 HydrophobicContact CZ2-CD2 4.01Å
247V94.7Very high87.5Confident0 Ų064.4 Ų64.40%033%0.325CS..Hα-helixtrans-62.9-45.9174.1-1770000109.2L243 P244 S249 A250 M251 Y281L243-V247 HydrophobicContact CD2-CG1 4.23Å; P244-V247 HydrophobicContact CB-CG2 4.1Å; P244-V247 HydrophobicContact CG-CG2 4.17Å; P244-V247 WeakPolarHBondContact O-CA 3.35Å; P244-V247 WeakPolarHBondContact O-CB 3.29Å; P244-V247 PolarHBondContact O-N 2.81Å; V247-S249 VanDerWaalsContact C-N 3.32Å; V247-S249 PolarHBondContact O-N 2.92Å; V247-A250 PolarHBondContact O-N 3.48Å; V247-M251 HydrophobicContact CG1-CG 4.08Å; V247-M251 HydrophobicContact CG1-SD 3.83Å; V247-M251 WeakPolarHBondContact O-CB 3.47Å; V247-M251 VanDerWaalsContact O-CG 3.25Å; V247-M251 WeakPolarHBondContact O-CG 3.39Å; V247-M251 PolarHBondContact O-N 3.4Å; V247-Y281 HydrophobicContact CG1-CD1 3.98Å; V247-Y281 HydrophobicContact CG1-CE1 4.32Å; V247-Y281 HydrophobicContact CG1-CG 4.41Å; V247-Y281 HydrophobicContact CG2-CD1 3.97Å; V247-Y281 HydrophobicContact CG2-CD2 3.71Å; V247-Y281 HydrophobicContact CG2-CE1 4.26Å; V247-Y281 HydrophobicContact CG2-CE2 4.01Å; V247-Y281 HydrophobicContact CG2-CG 3.69Å
248L91.9Very high87.5Confident47 Ų4760.5 Ų60.525%0.24631%0.313CS..Hα-helixtrans-59-41177.9-69.1173.9000112.4L243 P244 K252 L603L243-L248 HydrophobicContact CB-CD1 4.45Å; L243-L248 HydrophobicContact CB-CD2 3.81Å; L243-L248 HydrophobicContact CB-CG 3.85Å; L243-L248 HydrophobicContact CD1-CD2 3.81Å; L243-L248 HydrophobicContact CG-CD2 4.42Å; P244-L248 PolarHBondContact O-N 2.76Å; P244-L248 VanDerWaalsContact O-N 3.11Å; L248-K252 VanDerWaalsContact O-CB 3.27Å; L248-K252 WeakPolarHBondContact O-CB 3.41Å; L248-K252 PolarHBondContact O-N 2.72Å; L248-L603 HydrophobicContact CD2-CD1 3.86Å
249S90.8Very high87Confident47 Ų4765.2 Ų65.233%0.32933%0.33SS..Hα-helixtrans-66.5-43.6174.3-650000112.6H245 W246 V247 K252 S253H245-S249 PolarHBondContact O-N 2.89Å; H245-S249 PolarHBondContact O-OG 3Å; W246-S249 PolarHBondContact O-N 3.45Å; V247-S249 VanDerWaalsContact C-N 3.32Å; V247-S249 PolarHBondContact O-N 2.92Å; S249-K252 WeakPolarHBondContact O-CB 3.5Å; S249-K252 PolarHBondContact O-N 3.08Å; S249-S253 PolarHBondContact O-N 3.24Å
250A92.3Very high86.5Confident15 Ų1558.8 Ų58.812%0.12430%0.301CS..Hα-helixtrans-63.2-43.817700000112.6W246 V247 K252 S253 L254 V274 V278W246-A250 WeakPolarHBondContact O-CB 3.45Å; W246-A250 PolarHBondContact O-N 3.04Å; V247-A250 PolarHBondContact O-N 3.48Å; A250-K252 VanDerWaalsContact C-N 3.3Å; A250-K252 PolarHBondContact O-N 3.11Å; A250-S253 PolarHBondContact O-N 2.82Å; A250-S253 PolarHBondContact O-OG 2.86Å; A250-L254 WeakPolarHBondContact O-CG 3.4Å; A250-L254 PolarHBondContact O-N 2.83Å; A250-V274 HydrophobicContact CB-CG1 3.71Å; A250-V278 HydrophobicContact CB-CG2 3.58Å
251M94.3Very high85.5Confident11 Ų1159.2 Ų59.25%0.05430%0.296CS..Hα-helixtrans-64-35.8173.1-63.8-179.881.300111.6L243 V247 A255 V278 F282 L603 L604 M607L243-M251 HydrophobicContact CD1-SD 3.71Å; V247-M251 HydrophobicContact CG1-CG 4.08Å; V247-M251 HydrophobicContact CG1-SD 3.83Å; V247-M251 WeakPolarHBondContact O-CB 3.47Å; V247-M251 VanDerWaalsContact O-CG 3.25Å; V247-M251 WeakPolarHBondContact O-CG 3.39Å; V247-M251 PolarHBondContact O-N 3.4Å; M251-A255 WeakPolarHBondContact O-CB 3.49Å; M251-A255 PolarHBondContact O-N 3Å; M251-V278 HydrophobicContact CG-CG1 4.02Å; M251-V278 HydrophobicContact CG-CG2 4.17Å; M251-F282 HydrophobicContact CE-CE2 4.01Å; M251-F282 HydrophobicContact CE-CZ 4.09Å; M251-F282 HydrophobicContact SD-CE2 4.01Å; M251-F282 HydrophobicContact SD-CZ 4.2Å; M251-L603 HydrophobicContact CE-CB 4.18Å; M251-L604 HydrophobicContact CE-CB 4.3Å; M251-L604 HydrophobicContact CE-CD1 4.34Å; M251-M607 HydrophobicContact CB-CG 4.24Å; M251-M607 HydrophobicContact CB-SD 3.67Å; M251-M607 HydrophobicContact CE-CB 3.92Å; M251-M607 HydrophobicContact CE-CE 4.43Å; M251-M607 HydrophobicContact CE-CG 4.38Å; M251-M607 HydrophobicContact CE-SD 3.76Å; M251-M607 HydrophobicContact CG-SD 3.55Å; M251-M607 VanDerWaalsContact CG-SD 3.55Å
252K90.8Very high84.2Confident106 Ų10660.6 Ų60.646%0.46131%0.312SS..Hα-helixtrans-68.9-39177.1-174.1-170.2169.3-147.70112.3L248 S249 A250 N256 Y260L248-K252 VanDerWaalsContact O-CB 3.27Å; L248-K252 WeakPolarHBondContact O-CB 3.41Å; L248-K252 PolarHBondContact O-N 2.72Å; S249-K252 WeakPolarHBondContact O-CB 3.5Å; S249-K252 PolarHBondContact O-N 3.08Å; A250-K252 VanDerWaalsContact C-N 3.3Å; A250-K252 PolarHBondContact O-N 3.11Å; K252-N256 PolarHBondContact O-N 3.35Å; K252-N256 PolarHBondContact O-ND2 2.89Å; K252-Y260 HydrophobicContact CB-CE2 4.19Å; K252-Y260 HydrophobicContact CD-CE2 3.95Å; K252-Y260 HydrophobicContact CG-CD2 4.42Å; K252-Y260 HydrophobicContact CG-CE2 3.96Å
253S89.6Confident82.9Confident4 Ų466.5 Ų66.53%0.02834%0.344CS..Hα-helixtrans-68.1-44.3179.461.80000112.2S249 A250 W257S249-S253 PolarHBondContact O-N 3.24Å; A250-S253 PolarHBondContact O-N 2.82Å; A250-S253 PolarHBondContact O-OG 2.86Å; S253-W257 PolarHBondContact O-N 3.49Å
254L90.8Very high81.4Confident1 Ų170.9 Ų70.91%0.00536%0.364CS..Hα-helixtrans-63.8-45174.5-59.3170.4000112.2A250 N256 W257 E271 V274 F275 V278 M607 I611 M617A250-L254 WeakPolarHBondContact O-CG 3.4Å; A250-L254 PolarHBondContact O-N 2.83Å; L254-N256 VanDerWaalsContact C-N 3.26Å; L254-N256 PolarHBondContact O-N 3.37Å; L254-W257 PolarHBondContact O-N 3.4Å; L254-E271 WeakPolarHBondContact CD2-O 3.31Å; L254-V274 HydrophobicContact CD1-CG1 3.99Å; L254-V274 HydrophobicContact CD2-CB 4.2Å; L254-V274 HydrophobicContact CD2-CG1 4.03Å; L254-V274 HydrophobicContact CG-CB 4.5Å; L254-V274 HydrophobicContact CG-CG1 3.79Å; L254-F275 HydrophobicContact CD1-CB 4.17Å; L254-F275 HydrophobicContact CD1-CD2 4.5Å; L254-F275 HydrophobicContact CD2-CB 4.42Å; L254-V278 HydrophobicContact CD1-CG2 4.4Å; L254-M607 HydrophobicContact CD1-SD 4.36Å; L254-I611 HydrophobicContact CB-CD1 3.53Å; L254-I611 HydrophobicContact CB-CG1 4.14Å; L254-I611 HydrophobicContact CD1-CD1 4.3Å; L254-M617 HydrophobicContact CD2-CE 4Å
255A90.6Very high79.6Confident20 Ų2074.2 Ų74.217%0.16539%0.385CS..Hα-helixtrans-71.5-14.8-175.600000115.1M251 M607 R610M251-A255 WeakPolarHBondContact O-CB 3.49Å; M251-A255 PolarHBondContact O-N 3Å; A255-M607 HydrophobicContact CB-CG 4.18Å; A255-R610 HydrophobicContact CB-CB 4.34Å
256N88Confident78.3Confident79 Ų7971.2 Ų71.242%0.42238%0.383SS..THydrogen-bonded Turntrans-120.714.7179.9-59.6-82000112.9K252 L254 K259K252-N256 PolarHBondContact O-N 3.35Å; K252-N256 PolarHBondContact O-ND2 2.89Å; L254-N256 VanDerWaalsContact C-N 3.26Å; L254-N256 PolarHBondContact O-N 3.37Å; N256-K259 CarbonylContact O-C 3.57Å; N256-K259 PolarHBondContact O-N 2.83Å
257W84.9Confident77.7Confident52 Ų5270.7 Ų70.720%0.19738%0.381CS..THydrogen-bonded Turntrans-54.5141.1179.3-171.7-84.4000112.4S253 L254 K259 F270 E271 N614 D616 M617 P618S253-W257 PolarHBondContact O-N 3.49Å; L254-W257 PolarHBondContact O-N 3.4Å; W257-K259 VanDerWaalsContact C-N 3.35Å; W257-F270 HydrophobicContact CH2-CD1 4.38Å; W257-F270 AromaticContact CZ3-CD1 3.95Å; W257-F270 HydrophobicContact CZ3-CD1 3.95Å; W257-F270 HydrophobicContact CZ3-CE1 4.28Å; W257-E271 HydrophobicContact CE3-CB 4.44Å; W257-E271 HydrophobicContact CH2-CB 4.07Å; W257-E271 HydrophobicContact CZ3-CB 4.04Å; W257-N614 PolarHBondContact O-ND2 3.47Å; W257-D616 VanDerWaalsContact CD1-O 3.25Å; W257-D616 PolarHBondContact NE1-O 3.28Å; W257-M617 HydrophobicContact CB-SD 3.71Å; W257-M617 HydrophobicContact CD2-SD 4.44Å; W257-M617 HydrophobicContact CG-SD 3.77Å; W257-P618 HydrophobicContact CZ2-CG 4.02Å; W257-P618 VanDerWaalsContact NE1-CD 3.3Å
258P77.3Confident76.8Confident66 Ų6677 Ų7743%0.42942%0.423SS..THydrogen-bonded Turncis-860.4-434.8-35.9000113.4Y260 D616P258-Y260 PolarHBondContact O-N 2.76Å; P258-D616 HydrophobicContact CG-CB 4.44Å
259K68.2Low76.4Confident177 Ų17775.4 Ų75.477%0.7742%0.417SS*.  trans-87.340.7-166.5-59.7173-174.9167.10112.8N256 W257N256-K259 CarbonylContact O-C 3.57Å; N256-K259 PolarHBondContact O-N 2.83Å; W257-K259 VanDerWaalsContact C-N 3.35Å
260Y64Low76.2Confident44 Ų4474.9 Ų74.917%0.17341%0.409CS..SBendtrans-81.2152.6163.8-164.1-105000108.7K252 P258 S262K252-Y260 HydrophobicContact CB-CE2 4.19Å; K252-Y260 HydrophobicContact CD-CE2 3.95Å; K252-Y260 HydrophobicContact CG-CD2 4.42Å; K252-Y260 HydrophobicContact CG-CE2 3.96Å; P258-Y260 PolarHBondContact O-N 2.76Å; Y260-S262 PolarHBondContact O-N 2.83Å
261D56.5Low76.1Confident108 Ų10874.8 Ų74.858%0.57841%0.406SS*.  trans-53.4124.1-168.7-69.3-61.1000112.2D263D261-D263 PolarHBondContact O-N 3.1Å
262S55.1Low75.9Confident117 Ų11779.7 Ų79.782%0.81842%0.424SS*.THydrogen-bonded Turntrans-65.3-1.9-164.8-50.90000115.6Y260Y260-S262 PolarHBondContact O-N 2.83Å
263D56.8Low76Confident155 Ų15578.3 Ų78.383%0.82942%0.422SS*.THydrogen-bonded Turntrans-89.3-2.3-172.4-55.6-32.1000113D261D261-D263 PolarHBondContact O-N 3.1Å
264Q58.8Low76.1Confident98 Ų9878.9 Ų78.946%0.45843%0.425SS..SBendtrans-91.9137.9173.9-67.4-162-18.600112.4S266Q264-S266 PolarHBondContact O-N 3.14Å
265P54.3Low76.2Confident117 Ų11779.6 Ų79.676%0.7643%0.428SS*.  trans-70.295.8-179.428.7-34.7000111.3Y267P265-Y267 PolarHBondContact O-N 2.95Å
266S62.5Low76.4Confident97 Ų9784.3 Ų84.368%0.67845%0.445SS*.  trans-80.4103.9176370000110.8Q264Q264-S266 PolarHBondContact O-N 3.14Å
267Y79.4Confident76.7Confident123 Ų12383.9 Ų83.948%0.48245%0.445SS..  trans-90.8155.3169.557.4-90.5000111.2P265 G269 F270P265-Y267 PolarHBondContact O-N 2.95Å; Y267-G269 PolarHBondContact O-N 3.34Å; Y267-F270 HydrophobicContact CD1-CB 4.33Å; Y267-F270 HydrophobicContact CD1-CD2 4.47Å; Y267-F270 HydrophobicContact CD2-CB 4.13Å; Y267-F270 HydrophobicContact CE1-CB 4.15Å; Y267-F270 AromaticContact CE1-CD2 3.78Å; Y267-F270 HydrophobicContact CE1-CD2 3.78Å; Y267-F270 HydrophobicContact CE1-CG 4.43Å; Y267-F270 HydrophobicContact CE2-CB 3.94Å; Y267-F270 HydrophobicContact CG-CB 4.33Å; Y267-F270 AromaticContact CZ-CD2 3.93Å; Y267-F270 VanDerWaalsContact O-CB 3.26Å; Y267-F270 WeakPolarHBondContact O-CB 3.19Å; Y267-F270 PolarHBondContact O-N 2.8Å; Y267-F270 VanDerWaalsContact O-N 3.15Å
268P76.2Confident77.2Confident134 Ų13481.4 Ų81.487%0.8744%0.436SS*.THydrogen-bonded Turntrans-60.6123.5178.1-22.533.9000111.8
269G83Confident78Confident13 Ų1378.7 Ų78.713%0.13442%0.419CS..THydrogen-bonded Turntrans97.3-6.6-178.300000115Y267 E271 R272 D273Y267-G269 PolarHBondContact O-N 3.34Å; G269-E271 VanDerWaalsContact CA-OE2 3.23Å; G269-E271 WeakPolarHBondContact CA-OE2 3.23Å; G269-E271 PolarHBondContact N-OE2 2.69Å; G269-E271 PolarHBondContact O-N 2.63Å; G269-E271 VanDerWaalsContact O-N 3.08Å; G269-R272 WeakPolarHBondContact O-CA 3.29Å; G269-R272 WeakPolarHBondContact O-CB 3.24Å; G269-R272 PolarHBondContact O-N 3.04Å; G269-D273 PolarHBondContact O-N 2.83Å
270F87.6Confident79.3Confident35 Ų3574.1 Ų74.115%0.15440%0.402CS..Hα-helixtrans-49.1-35.6174.1169.1-100000112.8W257 Y267 R272 D273 V274W257-F270 HydrophobicContact CH2-CD1 4.38Å; W257-F270 AromaticContact CZ3-CD1 3.95Å; W257-F270 HydrophobicContact CZ3-CD1 3.95Å; W257-F270 HydrophobicContact CZ3-CE1 4.28Å; Y267-F270 HydrophobicContact CD1-CB 4.33Å; Y267-F270 HydrophobicContact CD1-CD2 4.47Å; Y267-F270 HydrophobicContact CD2-CB 4.13Å; Y267-F270 HydrophobicContact CE1-CB 4.15Å; Y267-F270 AromaticContact CE1-CD2 3.78Å; Y267-F270 HydrophobicContact CE1-CD2 3.78Å; Y267-F270 HydrophobicContact CE1-CG 4.43Å; Y267-F270 HydrophobicContact CE2-CB 3.94Å; Y267-F270 HydrophobicContact CG-CB 4.33Å; Y267-F270 AromaticContact CZ-CD2 3.93Å; Y267-F270 VanDerWaalsContact O-CB 3.26Å; Y267-F270 WeakPolarHBondContact O-CB 3.19Å; Y267-F270 PolarHBondContact O-N 2.8Å; Y267-F270 VanDerWaalsContact O-N 3.15Å; F270-R272 PolarHBondContact O-N 3.3Å; F270-D273 PolarHBondContact O-N 3.15Å; F270-V274 HydrophobicContact CD1-CG2 4.22Å; F270-V274 HydrophobicContact CD2-CG2 3.85Å; F270-V274 HydrophobicContact CE1-CG2 3.94Å; F270-V274 HydrophobicContact CE2-CG2 3.53Å; F270-V274 HydrophobicContact CG-CG2 4.2Å; F270-V274 HydrophobicContact CZ-CG2 3.59Å; F270-V274 WeakPolarHBondContact O-CB 3.26Å; F270-V274 VanDerWaalsContact O-CG2 3.23Å; F270-V274 WeakPolarHBondContact O-CG2 3.47Å; F270-V274 PolarHBondContact O-N 3.09Å
271E89.6Confident80.7Confident14 Ų1473.4 Ų73.47%0.06540%0.4CS..Hα-helixtrans-63.4-29.4177.378.2-71.9174.200113.2L254 W257 G269 F275 M617 P618 L620L254-E271 WeakPolarHBondContact CD2-O 3.31Å; W257-E271 HydrophobicContact CE3-CB 4.44Å; W257-E271 HydrophobicContact CH2-CB 4.07Å; W257-E271 HydrophobicContact CZ3-CB 4.04Å; G269-E271 VanDerWaalsContact CA-OE2 3.23Å; G269-E271 WeakPolarHBondContact CA-OE2 3.23Å; G269-E271 PolarHBondContact N-OE2 2.69Å; G269-E271 PolarHBondContact O-N 2.63Å; G269-E271 VanDerWaalsContact O-N 3.08Å; E271-F275 VanDerWaalsContact O-CB 3.22Å; E271-F275 WeakPolarHBondContact O-CB 3.38Å; E271-F275 PolarHBondContact O-N 2.91Å; E271-F275 VanDerWaalsContact O-N 3.15Å; E271-M617 HydrophobicContact CB-CE 4.1Å; E271-M617 HydrophobicContact CG-CE 4.43Å; E271-P618 HydrophobicContact CG-CB 3.96Å; E271-P618 HydrophobicContact CG-CG 4Å; E271-L620 HydrophobicContact CB-CD2 4.32Å; E271-L620 HydrophobicContact CG-CD2 3.91Å; E271-L620 WeakPolarHBondContact O-CD2 3.22Å
272R91.1Very high82.5Confident113 Ų11368.3 Ų68.343%0.42637%0.372SS..Hα-helixtrans-81.1-42.1178.1-55-174.9179.8137.95.9111.3G269 F270 F275 K276 R619 L620G269-R272 WeakPolarHBondContact O-CA 3.29Å; G269-R272 WeakPolarHBondContact O-CB 3.24Å; G269-R272 PolarHBondContact O-N 3.04Å; F270-R272 PolarHBondContact O-N 3.3Å; R272-F275 PolarHBondContact O-N 3.45Å; R272-K276 WeakPolarHBondContact O-CB 3.41Å; R272-K276 PolarHBondContact O-N 3.37Å; R272-R619 PolarHBondContact NE-O 3.13Å; R272-R619 VanDerWaalsContact NE-O 3.08Å; R272-R619 PolarHBondContact NH2-O 3.06Å; R272-L620 WeakPolarHBondContact CD-O 3.44Å
273D91.2Very high84.2Confident77 Ų7768.7 Ų68.741%0.41236%0.357SS..Hα-helixtrans-69.2-38.6179.5-65.3-38.3000111.1G269 F270 K276 T277G269-D273 PolarHBondContact O-N 2.83Å; F270-D273 PolarHBondContact O-N 3.15Å; D273-K276 PolarHBondContact O-N 3.1Å; D273-T277 WeakPolarHBondContact O-CB 3.17Å; D273-T277 PolarHBondContact O-N 2.96Å; D273-T277 PolarHBondContact O-OG1 3.03Å
274V92.2Very high85.8Confident16 Ų1665.3 Ų65.310%0.09735%0.345CS..Hα-helixtrans-65.8-43.8170.9177.20000111.3A250 L254 F270 K276 T277 V278A250-V274 HydrophobicContact CB-CG1 3.71Å; L254-V274 HydrophobicContact CD1-CG1 3.99Å; L254-V274 HydrophobicContact CD2-CB 4.2Å; L254-V274 HydrophobicContact CD2-CG1 4.03Å; L254-V274 HydrophobicContact CG-CB 4.5Å; L254-V274 HydrophobicContact CG-CG1 3.79Å; F270-V274 HydrophobicContact CD1-CG2 4.22Å; F270-V274 HydrophobicContact CD2-CG2 3.85Å; F270-V274 HydrophobicContact CE1-CG2 3.94Å; F270-V274 HydrophobicContact CE2-CG2 3.53Å; F270-V274 HydrophobicContact CG-CG2 4.2Å; F270-V274 HydrophobicContact CZ-CG2 3.59Å; F270-V274 WeakPolarHBondContact O-CB 3.26Å; F270-V274 VanDerWaalsContact O-CG2 3.23Å; F270-V274 WeakPolarHBondContact O-CG2 3.47Å; F270-V274 PolarHBondContact O-N 3.09Å; V274-K276 PolarHBondContact O-N 3.3Å; V274-T277 PolarHBondContact O-N 3.49Å; V274-V278 WeakPolarHBondContact O-CG2 3.38Å; V274-V278 PolarHBondContact O-N 3.17Å
275F93.9Very high87.3Confident16 Ų1662.3 Ų62.37%0.0733%0.332CS..Hα-helixtrans-59-46.2174.8174-104.7000112.1L254 E271 R272 V278 S279 L620 L629 M630 T633 F634L254-F275 HydrophobicContact CD1-CB 4.17Å; L254-F275 HydrophobicContact CD1-CD2 4.5Å; L254-F275 HydrophobicContact CD2-CB 4.42Å; E271-F275 VanDerWaalsContact O-CB 3.22Å; E271-F275 WeakPolarHBondContact O-CB 3.38Å; E271-F275 PolarHBondContact O-N 2.91Å; E271-F275 VanDerWaalsContact O-N 3.15Å; R272-F275 PolarHBondContact O-N 3.45Å; F275-V278 PolarHBondContact O-N 3.15Å; F275-S279 PolarHBondContact O-N 3.25Å; F275-L620 HydrophobicContact CB-CD1 4.31Å; F275-L620 HydrophobicContact CB-CD2 4Å; F275-L620 HydrophobicContact CD1-CD1 4.23Å; F275-L620 HydrophobicContact CD2-CD1 3.79Å; F275-L620 HydrophobicContact CE2-CD1 4.13Å; F275-L620 HydrophobicContact CG-CD1 3.83Å; F275-L620 HydrophobicContact CG-CD2 4.35Å; F275-L620 HydrophobicContact CZ-CD1 4.49Å; F275-L629 HydrophobicContact CD1-CD2 4.3Å; F275-L629 HydrophobicContact CE1-CD2 3.61Å; F275-L629 HydrophobicContact CE1-CG 3.95Å; F275-L629 HydrophobicContact CZ-CD2 3.92Å; F275-L629 HydrophobicContact CZ-CG 3.96Å; F275-M630 HydrophobicContact CD2-CE 4.31Å; F275-M630 HydrophobicContact CD2-SD 4.34Å; F275-M630 HydrophobicContact CE2-CE 3.75Å; F275-M630 HydrophobicContact CE2-SD 3.56Å; F275-M630 VanDerWaalsContact CE2-SD 3.56Å; F275-M630 HydrophobicContact CZ-SD 4.15Å; F275-T633 HydrophobicContact CE1-CG2 4.11Å; F275-T633 HydrophobicContact CZ-CG2 3.7Å; F275-F634 AromaticContact CE2-CE2 3.87Å; F275-F634 HydrophobicContact CE2-CE2 3.87Å; F275-F634 HydrophobicContact CE2-CZ 4.01Å; F275-F634 HydrophobicContact CZ-CE2 4.45Å
276K93.7Very high88.7Confident119 Ų11962.4 Ų62.452%0.51733%0.333SS..Hα-helixtrans-61.6-46.1176.4-175.1-176173.3-169.90111.6R272 D273 V274 V278 S279 D280R272-K276 WeakPolarHBondContact O-CB 3.41Å; R272-K276 PolarHBondContact O-N 3.37Å; D273-K276 PolarHBondContact O-N 3.1Å; V274-K276 PolarHBondContact O-N 3.3Å; K276-V278 PolarHBondContact O-N 3.47Å; K276-S279 WeakPolarHBondContact CA-OG 3.36Å; K276-S279 PolarHBondContact O-N 2.81Å; K276-S279 VanDerWaalsContact O-N 3.08Å; K276-S279 PolarHBondContact O-OG 3.42Å; K276-D280 VanDerWaalsContact CE-OD2 3.23Å; K276-D280 WeakPolarHBondContact CE-OD2 3.26Å; K276-D280 WeakPolarHBondContact O-CB 3.2Å; K276-D280 PolarHBondContact O-N 3.43Å
277T94.4Very high89.9Confident70 Ų7062.9 Ų62.943%0.42932%0.324SS..Hα-helixtrans-61.7-32178.7-48.20000111.5W246 D273 V274 Y281W246-T277 HydrophobicContact CH2-CG2 4.37Å; W246-T277 HydrophobicContact CZ3-CG2 3.77Å; D273-T277 WeakPolarHBondContact O-CB 3.17Å; D273-T277 PolarHBondContact O-N 2.96Å; D273-T277 PolarHBondContact O-OG1 3.03Å; V274-T277 PolarHBondContact O-N 3.49Å; T277-Y281 PolarHBondContact O-N 2.77Å
278V95.4Very high90.4Very high0 Ų057.3 Ų57.30%030%0.303CS..Hα-helixtrans-72.7-43.4171.7173.30000111.9A250 M251 L254 V274 F275 K276 Y281 F282 M607 F634A250-V278 HydrophobicContact CB-CG2 3.58Å; M251-V278 HydrophobicContact CG-CG1 4.02Å; M251-V278 HydrophobicContact CG-CG2 4.17Å; L254-V278 HydrophobicContact CD1-CG2 4.4Å; V274-V278 WeakPolarHBondContact O-CG2 3.38Å; V274-V278 PolarHBondContact O-N 3.17Å; F275-V278 PolarHBondContact O-N 3.15Å; K276-V278 PolarHBondContact O-N 3.47Å; V278-Y281 PolarHBondContact O-N 2.98Å; V278-F282 HydrophobicContact CG1-CD2 3.91Å; V278-F282 HydrophobicContact CG1-CE2 3.93Å; V278-F282 WeakPolarHBondContact O-CD2 3.29Å; V278-F282 PolarHBondContact O-N 2.68Å; V278-F282 VanDerWaalsContact O-N 3.16Å; V278-M607 HydrophobicContact CG1-CE 4.17Å; V278-M607 HydrophobicContact CG1-SD 4.18Å; V278-F634 HydrophobicContact CG1-CZ 4.41Å
279S94.4Very high91.1Very high10 Ų1051.1 Ų51.17%0.0726%0.263CS..Hα-helixtrans-63.1-45.7176.760.20000112.2F275 K276 Y281 F282 Y283 T633F275-S279 PolarHBondContact O-N 3.25Å; K276-S279 WeakPolarHBondContact CA-OG 3.36Å; K276-S279 PolarHBondContact O-N 2.81Å; K276-S279 VanDerWaalsContact O-N 3.08Å; K276-S279 PolarHBondContact O-OG 3.42Å; S279-Y281 PolarHBondContact O-N 2.95Å; S279-F282 PolarHBondContact O-N 3.15Å; S279-Y283 VanDerWaalsContact O-CD2 3.27Å; S279-Y283 WeakPolarHBondContact O-CD2 3.41Å; S279-Y283 PolarHBondContact O-N 2.89Å; S279-T633 VanDerWaalsContact CB-CG2 3.42Å
280D94.7Very high91.4Very high80 Ų8050.5 Ų50.543%0.42826%0.257SS..Hα-helixtrans-61.3-35.9-179.2-64.32.4000110.4K276 S284K276-D280 VanDerWaalsContact CE-OD2 3.23Å; K276-D280 WeakPolarHBondContact CE-OD2 3.26Å; K276-D280 WeakPolarHBondContact O-CB 3.2Å; K276-D280 PolarHBondContact O-N 3.43Å; D280-S284 WeakPolarHBondContact O-CB 3.34Å; D280-S284 PolarHBondContact O-N 3.25Å
281Y94.9Very high91.4Very high29 Ų2949.2 Ų49.211%0.11425%0.252CS..Hα-helixtrans-61.3-50.6169.7175-94.6000112.6L243 P244 W246 V247 T277 V278 S279 Y283 S284 L285L243-Y281 HydrophobicContact CD2-CD1 4.34Å; L243-Y281 HydrophobicContact CD2-CE1 3.37Å; P244-Y281 WeakPolarHBondContact CD-OH 3.06Å; P244-Y281 HydrophobicContact CG-CE2 3.88Å; W246-Y281 AromaticContact CH2-CD2 3.97Å; W246-Y281 HydrophobicContact CH2-CD2 3.97Å; W246-Y281 HydrophobicContact CH2-CG 4.24Å; W246-Y281 HydrophobicContact CZ2-CD2 4.01Å; V247-Y281 HydrophobicContact CG1-CD1 3.98Å; V247-Y281 HydrophobicContact CG1-CE1 4.32Å; V247-Y281 HydrophobicContact CG1-CG 4.41Å; V247-Y281 HydrophobicContact CG2-CD1 3.97Å; V247-Y281 HydrophobicContact CG2-CD2 3.71Å; V247-Y281 HydrophobicContact CG2-CE1 4.26Å; V247-Y281 HydrophobicContact CG2-CE2 4.01Å; V247-Y281 HydrophobicContact CG2-CG 3.69Å; T277-Y281 PolarHBondContact O-N 2.77Å; V278-Y281 PolarHBondContact O-N 2.98Å; S279-Y281 PolarHBondContact O-N 2.95Å; Y281-Y283 VanDerWaalsContact C-N 3.32Å; Y281-Y283 PolarHBondContact O-N 3.36Å; Y281-S284 PolarHBondContact O-N 3.37Å; Y281-S284 VanDerWaalsContact O-N 3.08Å; Y281-S284 PolarHBondContact O-OG 3.15Å; Y281-L285 HydrophobicContact CE1-CD2 4.13Å
282F93.8Very high91.3Very high2 Ų253.3 Ų53.31%0.00927%0.267CS..Hα-helixtrans-68.3-29.5-178.1-82.8-76.2000113.1L243 M251 V278 S279 L285 L289 K600 L604 F634 C637L243-F282 HydrophobicContact CD1-CZ 4.42Å; L243-F282 HydrophobicContact CD2-CE1 4.37Å; L243-F282 HydrophobicContact CD2-CZ 4.03Å; M251-F282 HydrophobicContact CE-CE2 4.01Å; M251-F282 HydrophobicContact CE-CZ 4.09Å; M251-F282 HydrophobicContact SD-CE2 4.01Å; M251-F282 HydrophobicContact SD-CZ 4.2Å; V278-F282 HydrophobicContact CG1-CD2 3.91Å; V278-F282 HydrophobicContact CG1-CE2 3.93Å; V278-F282 WeakPolarHBondContact O-CD2 3.29Å; V278-F282 PolarHBondContact O-N 2.68Å; V278-F282 VanDerWaalsContact O-N 3.16Å; S279-F282 PolarHBondContact O-N 3.15Å; F282-L285 HydrophobicContact CD1-CD1 3.73Å; F282-L285 HydrophobicContact CE1-CD1 4.33Å; F282-L289 HydrophobicContact CD1-CD1 4.04Å; F282-L289 HydrophobicContact CE1-CD1 3.93Å; F282-L289 HydrophobicContact CE1-CD2 4.43Å; F282-K600 HydrophobicContact CE1-CB 4.43Å; F282-L604 HydrophobicContact CD1-CD2 4.11Å; F282-L604 HydrophobicContact CD2-CD1 4.07Å; F282-L604 HydrophobicContact CE1-CB 4.34Å; F282-L604 HydrophobicContact CE1-CD2 4.1Å; F282-L604 HydrophobicContact CE2-CD1 3.84Å; F282-L604 HydrophobicContact CG-CD2 4.43Å; F282-L604 HydrophobicContact CZ-CB 4.09Å; F282-L604 HydrophobicContact CZ-CD1 4.12Å; F282-L604 HydrophobicContact CZ-CD2 4.41Å; F282-L604 HydrophobicContact CZ-CG 4.43Å; F282-F634 HydrophobicContact CB-CD1 4.47Å; F282-F634 HydrophobicContact CB-CE1 4.35Å; F282-F634 HydrophobicContact CD2-CE1 4.18Å; F282-C637 HydrophobicContact CB-CB 4.14Å; F282-C637 WeakPolarHBondContact O-CB 3.46Å
283Y90.8Very high91Very high124 Ų12453.5 Ų53.549%0.48627%0.273SS..Hα-helixtrans-74.6-23.1169.5-78.8-68.4000113.6S279 Y281 L285 T633S279-Y283 VanDerWaalsContact O-CD2 3.27Å; S279-Y283 WeakPolarHBondContact O-CD2 3.41Å; S279-Y283 PolarHBondContact O-N 2.89Å; Y281-Y283 VanDerWaalsContact C-N 3.32Å; Y281-Y283 PolarHBondContact O-N 3.36Å; Y283-L285 PolarHBondContact O-N 3.24Å; Y283-T633 HydrophobicContact CE2-CG2 4.29Å; Y283-T633 VanDerWaalsContact CE2-O 3.3Å; Y283-T633 WeakPolarHBondContact CE2-O 3.47Å; Y283-T633 PolarHBondContact OH-O 3.06Å; Y283-T633 VanDerWaalsContact OH-O 3.1Å
284S90.8Very high90.7Very high84 Ų8450.1 Ų50.159%0.58726%0.255SS*.THydrogen-bonded Turntrans-77.6-2.6174.876.20000114.5D280 Y281D280-S284 WeakPolarHBondContact O-CB 3.34Å; D280-S284 PolarHBondContact O-N 3.25Å; Y281-S284 PolarHBondContact O-N 3.37Å; Y281-S284 VanDerWaalsContact O-N 3.08Å; Y281-S284 PolarHBondContact O-OG 3.15Å
285L89.4Confident90.5Very high35 Ų3550.8 Ų50.818%0.18326%0.256CS..SBendtrans-73.1135.7178.1-63.9178.1000110.9Y281 F282 Y283 Q287 L289Y281-L285 HydrophobicContact CE1-CD2 4.13Å; F282-L285 HydrophobicContact CD1-CD1 3.73Å; F282-L285 HydrophobicContact CE1-CD1 4.33Å; Y283-L285 PolarHBondContact O-N 3.24Å; L285-Q287 PolarHBondContact O-N 2.78Å; L285-L289 HydrophobicContact CD1-CD2 3.78Å
286P84.6Confident90.1Very high120 Ų12056.4 Ų56.478%0.77928%0.282SS*.SBendtrans-75.7-3.2-174.931.9-37.8000114.5
287Q86.2Confident89.9Confident106 Ų10650.8 Ų50.850%0.49526%0.258SS..SBendtrans-149.6149.3177.6-67.1-172.9-9.200109.5L285 Y292L285-Q287 PolarHBondContact O-N 2.78Å; Q287-Y292 HydrophobicContact CB-CE2 4.37Å; Q287-Y292 HydrophobicContact CG-CD2 4.36Å; Q287-Y292 HydrophobicContact CG-CE2 4.1Å
288P89.8Confident89.6Confident7 Ų747.5 Ų47.55%0.04524%0.238CC..  trans-65.2151.9172.628.5-35.1000111.3L290 T291 Y292 C637P288-L290 PolarHBondContact O-N 3.41Å; P288-L290 VanDerWaalsContact O-N 3.13Å; P288-T291 WeakPolarHBondContact O-CA 3.33Å; P288-T291 PolarHBondContact O-N 3.38Å; P288-Y292 HydrophobicContact CG-CD1 3.88Å; P288-Y292 HydrophobicContact CG-CE1 3.73Å; P288-Y292 HydrophobicContact CG-CG 4.36Å; P288-C637 CarbonylContact C-O 3.56Å; P288-C637 WeakPolarHBondContact CA-O 3.35Å
289L90.8Very high89.2Confident4 Ų448.5 Ų48.52%0.02124%0.243CC..THydrogen-bonded Turntrans-63.8-19.7-176.2-64.2178.9000114.2F282 L285 S597 K600 L601 L604 C637 V638F282-L289 HydrophobicContact CD1-CD1 4.04Å; F282-L289 HydrophobicContact CE1-CD1 3.93Å; F282-L289 HydrophobicContact CE1-CD2 4.43Å; L285-L289 HydrophobicContact CD1-CD2 3.78Å; L289-S597 WeakPolarHBondContact O-CB 3.33Å; L289-K600 HydrophobicContact CD2-CB 3.63Å; L289-K600 HydrophobicContact CD2-CD 4.35Å; L289-L601 HydrophobicContact CB-CB 4.5Å; L289-L601 HydrophobicContact CB-CD1 4.47Å; L289-L601 HydrophobicContact CD1-CB 4.47Å; L289-L601 HydrophobicContact CD1-CD1 4.41Å; L289-L604 HydrophobicContact CD1-CD2 3.6Å; L289-C637 WeakPolarHBondContact CG-O 3.34Å; L289-C637 PolarHBondContact N-O 3.28Å; L289-V638 HydrophobicContact CD1-CG2 4.26Å
290L90.1Very high88.8Confident0 Ų050.3 Ų50.30%025%0.252CS..THydrogen-bonded Turntrans-91.4-1.2173.4-62.5178.7000114.3P288 F298 L593 L601 V638 L639 L655P288-L290 PolarHBondContact O-N 3.41Å; P288-L290 VanDerWaalsContact O-N 3.13Å; L290-F298 HydrophobicContact CB-CD2 3.94Å; L290-F298 HydrophobicContact CB-CE2 4.06Å; L290-F298 HydrophobicContact CD1-CB 4.38Å; L290-F298 HydrophobicContact CD1-CD1 4.11Å; L290-F298 HydrophobicContact CD1-CD2 4.08Å; L290-F298 HydrophobicContact CD1-CE1 4.49Å; L290-F298 HydrophobicContact CD1-CE2 4.47Å; L290-F298 HydrophobicContact CD1-CG 3.92Å; L290-F298 HydrophobicContact CD2-CD1 4.49Å; L290-F298 HydrophobicContact CD2-CD2 4.27Å; L290-F298 HydrophobicContact CD2-CE1 4.08Å; L290-F298 HydrophobicContact CD2-CE2 3.83Å; L290-F298 HydrophobicContact CD2-CZ 3.74Å; L290-F298 HydrophobicContact CG-CD2 4.31Å; L290-F298 HydrophobicContact CG-CE2 4.33Å; L290-L593 HydrophobicContact CB-CD2 4.47Å; L290-L593 HydrophobicContact CD2-CD1 3.86Å; L290-L593 HydrophobicContact CD2-CD2 4.15Å; L290-L593 WeakPolarHBondContact O-CD2 3.4Å; L290-L601 HydrophobicContact CD2-CD2 3.65Å; L290-V638 WeakPolarHBondContact CB-O 3.38Å; L290-V638 HydrophobicContact CD1-CG1 3.67Å; L290-V638 HydrophobicContact CG-CG1 3.87Å; L290-V638 VanDerWaalsContact CG-O 3.27Å; L290-V638 WeakPolarHBondContact CG-O 3.33Å; L290-V638 PolarHBondContact N-O 3.05Å; L290-L639 HydrophobicContact CB-CD1 4.25Å; L290-L639 HydrophobicContact CD1-CB 4.24Å; L290-L639 HydrophobicContact CD1-CD1 3.78Å; L290-L655 HydrophobicContact CD1-CD2 3.54Å
291T88.3Confident88.5Confident8 Ų846.5 Ų46.55%0.04923%0.231CC..  trans59.1156.9-170.282.70000114.8P288 Y295 P594P288-T291 WeakPolarHBondContact O-CA 3.33Å; P288-T291 PolarHBondContact O-N 3.38Å; T291-Y295 PolarHBondContact O-N 2.85Å; T291-P594 HydrophobicContact CG2-CG 4.09Å
292Y86.8Confident88Confident99 Ų9945.3 Ų45.339%0.38823%0.227SC..SBendtrans-70.3-35.8175.7-62.4-62.9000111.8Q287 P288 L294 Y295 S640 S641 A642Q287-Y292 HydrophobicContact CB-CE2 4.37Å; Q287-Y292 HydrophobicContact CG-CD2 4.36Å; Q287-Y292 HydrophobicContact CG-CE2 4.1Å; P288-Y292 HydrophobicContact CG-CD1 3.88Å; P288-Y292 HydrophobicContact CG-CE1 3.73Å; P288-Y292 HydrophobicContact CG-CG 4.36Å; Y292-L294 VanDerWaalsContact C-N 3.25Å; Y292-L294 PolarHBondContact O-N 3.03Å; Y292-Y295 VanDerWaalsContact O-CB 3.22Å; Y292-Y295 WeakPolarHBondContact O-CB 2.92Å; Y292-Y295 PolarHBondContact O-N 3.37Å; Y292-Y295 VanDerWaalsContact O-N 3.15Å; Y292-S640 WeakPolarHBondContact CD1-O 3.43Å; Y292-S640 WeakPolarHBondContact CE1-O 3.36Å; Y292-S641 WeakPolarHBondContact CE1-O 3.4Å; Y292-A642 HydrophobicContact CD1-CB 3.98Å; Y292-A642 HydrophobicContact CE1-CB 4.13Å; Y292-A642 HydrophobicContact CG-CB 4.31Å
293E84.3Confident87.6Confident118 Ų11848.5 Ų48.555%0.55125%0.247SC*.THydrogen-bonded Turntrans-62.5-27.5-178.7-64.8169-161.100113.8H215H215-E293 HydrophobicContact CB-CB 4.27Å; H215-E293 IonicContact CD2-OE2 3.15Å
294L86.4Confident87.2Confident6 Ų647 Ų473%0.03125%0.246CC..THydrogen-bonded Turntrans-106.44.8179-57.2171.7000112.5L211 Y292 E296 L297 F298 L592 L593L211-L294 HydrophobicContact CD1-CD2 3.56Å; Y292-L294 VanDerWaalsContact C-N 3.25Å; Y292-L294 PolarHBondContact O-N 3.03Å; L294-E296 PolarHBondContact O-N 3.37Å; L294-L297 HydrophobicContact CD2-CD2 4.13Å; L294-L297 WeakPolarHBondContact O-CB 3.39Å; L294-L297 PolarHBondContact O-N 2.96Å; L294-L297 VanDerWaalsContact O-N 3.15Å; L294-F298 HydrophobicContact CB-CD2 4.04Å; L294-F298 HydrophobicContact CB-CE2 3.97Å; L294-F298 VanDerWaalsContact O-CD2 3.27Å; L294-F298 WeakPolarHBondContact O-CD2 3.24Å; L294-F298 PolarHBondContact O-N 2.9Å; L294-L592 HydrophobicContact CD1-CB 3.97Å; L294-L592 HydrophobicContact CD2-CD1 4.29Å; L294-L593 HydrophobicContact CD1-CD2 3.92Å; L294-L593 HydrophobicContact CD1-CG 4.5Å
295Y87.4Confident86.6Confident29 Ų2943.3 Ų43.311%0.11422%0.22CC..Hα-helixtrans-51.9-53.3179.2176.7-98.1000111.4T291 Y292 L297 F298 I299 L639 D648T291-Y295 PolarHBondContact O-N 2.85Å; Y292-Y295 VanDerWaalsContact O-CB 3.22Å; Y292-Y295 WeakPolarHBondContact O-CB 2.92Å; Y292-Y295 PolarHBondContact O-N 3.37Å; Y292-Y295 VanDerWaalsContact O-N 3.15Å; Y295-L297 VanDerWaalsContact C-N 3.33Å; Y295-L297 PolarHBondContact O-N 3.38Å; Y295-F298 PolarHBondContact O-N 3.12Å; Y295-I299 HydrophobicContact CD1-CG1 4.3Å; Y295-I299 HydrophobicContact CD2-CG1 4.48Å; Y295-I299 HydrophobicContact CE1-CG1 3.81Å; Y295-I299 HydrophobicContact CE2-CD1 4.22Å; Y295-I299 HydrophobicContact CE2-CG1 3.99Å; Y295-I299 WeakPolarHBondContact O-CG1 3.37Å; Y295-I299 PolarHBondContact O-N 2.96Å; Y295-L639 HydrophobicContact CD2-CD1 3.56Å; Y295-L639 HydrophobicContact CD2-CG 3.8Å; Y295-L639 HydrophobicContact CE2-CD1 3.93Å; Y295-L639 HydrophobicContact CE2-CD2 4.04Å; Y295-L639 HydrophobicContact CE2-CG 3.67Å; Y295-D648 PolarHBondContact OH-OD1 2.87Å; Y295-D648 PolarHBondContact OH-OD2 3.17Å
296E85.6Confident85.7Confident134 Ų13443 Ų4363%0.62623%0.225SC*.Hα-helixtrans-61.4-39.2179.9-63.2-165.216500112.4L294 I299 N300L294-E296 PolarHBondContact O-N 3.37Å; E296-I299 PolarHBondContact O-N 3.14Å; E296-N300 WeakPolarHBondContact O-CB 3.22Å; E296-N300 PolarHBondContact O-N 3.44Å; E296-N300 PolarHBondContact O-ND2 3.41Å
297L88.1Confident84.9Confident2 Ų238.1 Ų38.11%0.0119%0.192CC..Hα-helixtrans-59.8-49.5176.2173.165000111.1L198 V210 L211 L294 Y295 I299 N300 V301 C589 L592L198-L297 HydrophobicContact CD2-CD1 4.32Å; V210-L297 HydrophobicContact CG1-CD1 3.81Å; L211-L297 HydrophobicContact CB-CD1 4.48Å; L211-L297 HydrophobicContact CD1-CD2 4.27Å; L211-L297 HydrophobicContact CD2-CD2 4.17Å; L294-L297 HydrophobicContact CD2-CD2 4.13Å; L294-L297 WeakPolarHBondContact O-CB 3.39Å; L294-L297 PolarHBondContact O-N 2.96Å; L294-L297 VanDerWaalsContact O-N 3.15Å; Y295-L297 VanDerWaalsContact C-N 3.33Å; Y295-L297 PolarHBondContact O-N 3.38Å; L297-I299 PolarHBondContact O-N 3.24Å; L297-N300 PolarHBondContact O-N 3.01Å; L297-V301 HydrophobicContact CD1-CG2 4.01Å; L297-V301 WeakPolarHBondContact O-CB 3.41Å; L297-V301 WeakPolarHBondContact O-CG2 3.32Å; L297-V301 PolarHBondContact O-N 3.19Å; L297-C589 HydrophobicContact CD2-CB 3.93Å; L297-C589 HydrophobicContact CG-CB 4.34Å; L297-L592 HydrophobicContact CD2-CD1 3.47Å; L297-L592 VanDerWaalsContact CD2-CD1 3.47Å
298F89.2Confident83.4Confident0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-65.2-37.9-179.4-79.3-74.4000112.6L290 L294 Y295 L302 L586 C589 T590 L593 L639 L655L290-F298 HydrophobicContact CB-CD2 3.94Å; L290-F298 HydrophobicContact CB-CE2 4.06Å; L290-F298 HydrophobicContact CD1-CB 4.38Å; L290-F298 HydrophobicContact CD1-CD1 4.11Å; L290-F298 HydrophobicContact CD1-CD2 4.08Å; L290-F298 HydrophobicContact CD1-CE1 4.49Å; L290-F298 HydrophobicContact CD1-CE2 4.47Å; L290-F298 HydrophobicContact CD1-CG 3.92Å; L290-F298 HydrophobicContact CD2-CD1 4.49Å; L290-F298 HydrophobicContact CD2-CD2 4.27Å; L290-F298 HydrophobicContact CD2-CE1 4.08Å; L290-F298 HydrophobicContact CD2-CE2 3.83Å; L290-F298 HydrophobicContact CD2-CZ 3.74Å; L290-F298 HydrophobicContact CG-CD2 4.31Å; L290-F298 HydrophobicContact CG-CE2 4.33Å; L294-F298 HydrophobicContact CB-CD2 4.04Å; L294-F298 HydrophobicContact CB-CE2 3.97Å; L294-F298 VanDerWaalsContact O-CD2 3.27Å; L294-F298 WeakPolarHBondContact O-CD2 3.24Å; L294-F298 PolarHBondContact O-N 2.9Å; Y295-F298 PolarHBondContact O-N 3.12Å; F298-L302 WeakPolarHBondContact O-CB 3.29Å; F298-L302 PolarHBondContact O-N 3.47Å; F298-L586 HydrophobicContact CD1-CD2 3.46Å; F298-L586 VanDerWaalsContact CD1-CD2 3.46Å; F298-L586 HydrophobicContact CE1-CD2 3.73Å; F298-C589 HydrophobicContact CD1-CB 4.38Å; F298-C589 HydrophobicContact CE1-CB 3.66Å; F298-C589 HydrophobicContact CE2-CB 4.43Å; F298-C589 HydrophobicContact CZ-CB 3.68Å; F298-T590 HydrophobicContact CE1-CG2 3.94Å; F298-T590 HydrophobicContact CZ-CG2 3.99Å; F298-L593 HydrophobicContact CE2-CD2 4.15Å; F298-L593 HydrophobicContact CZ-CD1 4.45Å; F298-L593 HydrophobicContact CZ-CD2 4.49Å; F298-L593 HydrophobicContact CZ-CG 4.49Å; F298-L639 HydrophobicContact CB-CD1 4.17Å; F298-L655 HydrophobicContact CB-CD2 4.09Å; F298-L655 HydrophobicContact CD1-CD2 4.38Å
299I87.6Confident81.1Confident21 Ų2139.5 Ų39.511%0.10822%0.215CC..Hα-helixtrans-66.2-49173.2-66.4-65.6000111.4Y295 E296 L297 V301 L302 V303 L639 L651Y295-I299 HydrophobicContact CD1-CG1 4.3Å; Y295-I299 HydrophobicContact CD2-CG1 4.48Å; Y295-I299 HydrophobicContact CE1-CG1 3.81Å; Y295-I299 HydrophobicContact CE2-CD1 4.22Å; Y295-I299 HydrophobicContact CE2-CG1 3.99Å; Y295-I299 WeakPolarHBondContact O-CG1 3.37Å; Y295-I299 PolarHBondContact O-N 2.96Å; E296-I299 PolarHBondContact O-N 3.14Å; L297-I299 PolarHBondContact O-N 3.24Å; I299-V301 VanDerWaalsContact C-N 3.35Å; I299-V301 PolarHBondContact O-N 3.01Å; I299-L302 WeakPolarHBondContact O-CB 3.15Å; I299-L302 PolarHBondContact O-N 3.49Å; I299-L302 VanDerWaalsContact O-N 3.12Å; I299-V303 HydrophobicContact CG2-CG2 4.32Å; I299-V303 WeakPolarHBondContact O-CG2 3.38Å; I299-V303 PolarHBondContact O-N 2.83Å; I299-L639 HydrophobicContact CD1-CD2 3.67Å; I299-L639 HydrophobicContact CG1-CD2 4.39Å; I299-L651 HydrophobicContact CD1-CB 3.59Å; I299-L651 HydrophobicContact CD1-CD1 3.83Å; I299-L651 HydrophobicContact CD1-CG 4.33Å; I299-L651 HydrophobicContact CG2-CD1 4.19Å
300N85.8Confident78.2Confident49 Ų4943.2 Ų43.226%0.26225%0.246SC..Hα-helixtrans-62-40.9-178.3-78-36.6000111.7V210 E296 L297 L302 V303 L304V210-N300 HydrophobicContact CG1-CB 3.92Å; E296-N300 WeakPolarHBondContact O-CB 3.22Å; E296-N300 PolarHBondContact O-N 3.44Å; E296-N300 PolarHBondContact O-ND2 3.41Å; L297-N300 PolarHBondContact O-N 3.01Å; N300-L302 PolarHBondContact O-N 3.28Å; N300-V303 PolarHBondContact O-N 3.44Å; N300-L304 VanDerWaalsContact O-CB 3.26Å; N300-L304 WeakPolarHBondContact O-CB 3.27Å; N300-L304 WeakPolarHBondContact O-CG 3.44Å; N300-L304 PolarHBondContact O-N 3.08Å
301V87.4Confident75.3Confident0 Ų048.8 Ų48.80%028%0.283CS..Hα-helixtrans-61.5-43.1173.8173.10000111.4L202 L297 I299 C305 A585 L586L202-V301 HydrophobicContact CD1-CG2 4.1Å; L202-V301 HydrophobicContact CD2-CG1 4.46Å; L202-V301 HydrophobicContact CD2-CG2 4.08Å; L297-V301 HydrophobicContact CD1-CG2 4.01Å; L297-V301 WeakPolarHBondContact O-CB 3.41Å; L297-V301 WeakPolarHBondContact O-CG2 3.32Å; L297-V301 PolarHBondContact O-N 3.19Å; I299-V301 VanDerWaalsContact C-N 3.35Å; I299-V301 PolarHBondContact O-N 3.01Å; V301-C305 WeakPolarHBondContact O-CB 3.31Å; V301-C305 PolarHBondContact O-N 3.04Å; V301-C305 PolarHBondContact O-SG 3.26Å; V301-A585 HydrophobicContact CG1-CB 3.66Å; V301-L586 HydrophobicContact CB-CD2 4.34Å; V301-L586 HydrophobicContact CG1-CD2 3.85Å; V301-L586 HydrophobicContact CG1-CG 3.8Å
302L85.3Confident72.7Confident3 Ų354.2 Ų54.22%0.01632%0.318CS..Hα-helixtrans-63.9-40.9177.9-167.672.6000111.8F298 I299 N300 Y307 L651 R654 L655F298-L302 WeakPolarHBondContact O-CB 3.29Å; F298-L302 PolarHBondContact O-N 3.47Å; I299-L302 WeakPolarHBondContact O-CB 3.15Å; I299-L302 PolarHBondContact O-N 3.49Å; I299-L302 VanDerWaalsContact O-N 3.12Å; N300-L302 PolarHBondContact O-N 3.28Å; L302-Y307 VanDerWaalsContact CD1-CB 3.43Å; L302-Y307 HydrophobicContact CD1-CD1 4.48Å; L302-Y307 HydrophobicContact CD1-CD2 3.73Å; L302-Y307 HydrophobicContact CD1-CG 3.63Å; L302-Y307 HydrophobicContact CG-CG 4.36Å; L302-Y307 WeakPolarHBondContact O-CB 3.42Å; L302-Y307 PolarHBondContact O-N 2.97Å; L302-L651 HydrophobicContact CD2-CB 4.36Å; L302-L651 HydrophobicContact CD2-CD2 4.33Å; L302-R654 HydrophobicContact CD2-CB 4.25Å; L302-L655 HydrophobicContact CD1-CD1 4.27Å; L302-L655 HydrophobicContact CD2-CB 4.31Å
303V84.5Confident70Confident70 Ų7056.2 Ų56.242%0.42434%0.34SS..Hα-helixtrans-68.6-49.3176.5172.60000111.3I299 N300 C305 G306 V308I299-V303 HydrophobicContact CG2-CG2 4.32Å; I299-V303 WeakPolarHBondContact O-CG2 3.38Å; I299-V303 PolarHBondContact O-N 2.83Å; N300-V303 PolarHBondContact O-N 3.44Å; V303-C305 VanDerWaalsContact C-N 3.33Å; V303-C305 PolarHBondContact O-N 3.32Å; V303-G306 PolarHBondContact O-N 3.18Å; V303-V308 HydrophobicContact CG2-CG2 3.86Å
304L82.4Confident67.4Low92 Ų9258.8 Ų58.848%0.48236%0.357SS..Hα-helixtrans-62.4-37.7-179-74169.8000112.5L202 V204 N300 G306L202-L304 HydrophobicContact CD2-CD1 4.34Å; V204-L304 HydrophobicContact CG1-CD1 4.43Å; N300-L304 VanDerWaalsContact O-CB 3.26Å; N300-L304 WeakPolarHBondContact O-CB 3.27Å; N300-L304 WeakPolarHBondContact O-CG 3.44Å; N300-L304 PolarHBondContact O-N 3.08Å; L304-G306 PolarHBondContact O-N 2.99Å
305C79.6Confident64.7Low6 Ų667.8 Ų67.84%0.04140%0.399CS..THydrogen-bonded Turntrans-77.93.6175.7-61.40000113.7V301 V303 L574 C578 A582V301-C305 WeakPolarHBondContact O-CB 3.31Å; V301-C305 PolarHBondContact O-N 3.04Å; V301-C305 PolarHBondContact O-SG 3.26Å; V303-C305 VanDerWaalsContact C-N 3.33Å; V303-C305 PolarHBondContact O-N 3.32Å; C305-L574 HydrophobicContact CB-CD1 4.46Å; C305-L574 WeakPolarHBondContact O-CD1 3.41Å; C305-L574 VanDerWaalsContact O-CD2 3.28Å; C305-L574 WeakPolarHBondContact O-CD2 3.38Å; C305-C578 WeakPolarHBondContact O-CB 3.46Å; C305-A582 HydrophobicContact CB-CB 3.81Å
306G69.9Low61.8Low28 Ų2878.3 Ų78.329%0.28944%0.439SS..THydrogen-bonded Turntrans81.912.817200000115.6V303 L304 V308 A309V303-G306 PolarHBondContact O-N 3.18Å; L304-G306 PolarHBondContact O-N 2.99Å; G306-V308 PolarHBondContact O-N 3.22Å; G306-V308 VanDerWaalsContact O-N 3.07Å; G306-A309 WeakPolarHBondContact O-CB 3.2Å; G306-A309 PolarHBondContact O-N 3.2Å
307Y66.4Low58.9Low18 Ų1875.6 Ų75.67%0.07145%0.447CS..THydrogen-bonded Turntrans-66.6-8.3176.1-107.8-70000113.4L302 V573 L574 R654 F658L302-Y307 VanDerWaalsContact CD1-CB 3.43Å; L302-Y307 HydrophobicContact CD1-CD1 4.48Å; L302-Y307 HydrophobicContact CD1-CD2 3.73Å; L302-Y307 HydrophobicContact CD1-CG 3.63Å; L302-Y307 HydrophobicContact CG-CG 4.36Å; L302-Y307 WeakPolarHBondContact O-CB 3.42Å; L302-Y307 PolarHBondContact O-N 2.97Å; Y307-V573 HydrophobicContact CE1-CB 3.87Å; Y307-V573 HydrophobicContact CE1-CG1 4.25Å; Y307-L574 HydrophobicContact CD2-CD1 3.44Å; Y307-L574 VanDerWaalsContact CD2-CD1 3.44Å; Y307-L574 HydrophobicContact CD2-CD2 4.14Å; Y307-L574 HydrophobicContact CD2-CG 3.7Å; Y307-L574 HydrophobicContact CE1-CG 4.35Å; Y307-L574 HydrophobicContact CE2-CD1 3.25Å; Y307-L574 HydrophobicContact CE2-CD2 4.33Å; Y307-L574 HydrophobicContact CE2-CG 3.42Å; Y307-L574 VanDerWaalsContact CE2-CG 3.42Å; Y307-L574 HydrophobicContact CG-CD1 4.36Å; Y307-L574 HydrophobicContact CG-CD2 4.28Å; Y307-L574 HydrophobicContact CG-CG 4.22Å; Y307-R654 PolarHBondContact O-NH1 2.61Å; Y307-F658 HydrophobicContact CD2-CD2 4.49Å; Y307-F658 HydrophobicContact CE2-CB 4.45Å; Y307-F658 AromaticContact CE2-CD2 3.36Å; Y307-F658 HydrophobicContact CE2-CD2 3.36Å; Y307-F658 AromaticContact CE2-CE2 3.59Å; Y307-F658 HydrophobicContact CE2-CE2 3.59Å; Y307-F658 AromaticContact CE2-CG 3.92Å; Y307-F658 HydrophobicContact CE2-CG 3.92Å; Y307-F658 HydrophobicContact CE2-CZ 4.35Å; Y307-F658 AromaticContact CZ-CD2 3.44Å; Y307-F658 VanDerWaalsContact CZ-CD2 3.44Å; Y307-F658 AromaticContact CZ-CE2 3.97Å; Y307-F658 WeakPolarHBondContact OH-CD2 3.42Å
308V55.1Low56.1Low67 Ų6784.5 Ų84.541%0.40649%0.485SS..THydrogen-bonded Turntrans-112.133.8174.2-158.80000111.1V303 G306 L651V303-V308 HydrophobicContact CG2-CG2 3.86Å; G306-V308 PolarHBondContact O-N 3.22Å; G306-V308 VanDerWaalsContact O-N 3.07Å; V308-L651 HydrophobicContact CG1-CD2 4.4Å; V308-L651 HydrophobicContact CG2-CD2 3.57Å
309A41.7Very low53.2Low76 Ų7696.2 Ų96.263%0.62853%0.529SS*.PPolyproline II helixtrans-65.9141.9169.100000111.9G306G306-A309 WeakPolarHBondContact O-CB 3.2Å; G306-A309 PolarHBondContact O-N 3.2Å
310A29.4Very low50.2Low82 Ų82105.4 Ų105.468%0.67857%0.568SS**PPolyproline II helixtrans-67.5154.9176.200000112
311P29.6Very low47.3Very low117 Ų117107.3 Ų107.376%0.7659%0.586SS**PPolyproline II helixtrans-58.6140.1-178.123.2-34.5000112.4
312P33.6Very low44Very low122 Ų122112.8 Ų112.879%0.79262%0.624SS**PPolyproline II helixtrans-66.3138-174.526.9-34.9000111.8L314P312-L314 PolarHBondContact O-N 3.33Å
313T29.7Very low41Very low140 Ų140120.1 Ų120.186%0.85966%0.658SS**  trans-70.797.1-179.351.90000111.7
314L31.2Very low38.1Very low173 Ų173124.4 Ų124.491%0.90668%0.678SS**  trans-59.8145.3165.1-90165.8000111.2P312P312-L314 PolarHBondContact O-N 3.33Å
315Q29.9Very low35.8Very low194 Ų194125.5 Ų125.591%0.90769%0.691SS**  trans-74.1148.1-172.7-63.3-175.1200112.7
316R26.2Very low33.2Very low251 Ų251129.9 Ų129.995%0.94772%0.721SS**  trans-89.1108.4-164-174.8-174.8-175-170.44.5114.2
317G24.7Very low31Very low77 Ų77134.1 Ų134.179%0.79474%0.741SS**  trans-99.889.7175.700000116.1
318K29.5Very low29.3Very low189 Ų189137 Ų13782%0.82276%0.76SS**  trans28.1106156.4-63.2176.3-179.1172.80122
319R28.4Very low28.5Very low245 Ų245139.2 Ų139.293%0.92578%0.776SS**  49.4127.1126.9-56176-177.5173.5-1122.3
320K24.8Very low27.9Very low214 Ų214137.8 Ų137.893%0.9376%0.764SS**  -167.3-179.9100.5-143.5175.6176.9-174.90110.5
321S23.3Very low28Very low89 Ų89144.2 Ų144.262%0.62278%0.777SS**  trans-145.6142.5-16553.50000115.5
322S20Very low28Very low115 Ų115144.1 Ų144.180%0.80478%0.779SS**  trans-172.9157.4162.9-66.40000109.8
323E20.8Very low27.9Very low158 Ų158143.8 Ų143.874%0.73878%0.78SS**  cis-157-127.4-48.1-129.368.597.300110.7
324L24Very low28.2Very low159 Ų159143.5 Ų143.583%0.83277%0.767SS**  trans-141172.5-174.7-103.8100.7000112.4
325P34.5Very low29.1Very low116 Ų116147.5 Ų147.575%0.75377%0.77SS**  cis-145.2156.523.241.6-21000121.6
326S23.7Very low29.9Very low98 Ų98140.6 Ų140.669%0.68574%0.743SS**  trans58.3124.8133-1690000124.8
327V25.4Very low30.9Very low117 Ų117130.6 Ų130.671%0.70971%0.71SS**  -178.5163.8111.4152.80000111S349V327-S349 PolarHBondContact O-OG 3.47Å
328V29.4Very low32.2Very low78 Ų78130.5 Ų130.547%0.47369%0.689SS.*  trans-131.4-178.8-170.3-116.60000110.7A330 S349V328-A330 HydrophobicContact CG1-CB 4.05Å; V328-S349 VanDerWaalsContact CG1-CB 3.48Å; V328-S349 WeakPolarHBondContact CG1-OG 3.47Å
329P39.6Very low33.3Very low113 Ų113123.9 Ų123.973%0.73467%0.666SS**  cis-122.3164.2-340.9-26.7000114.9
330A28.9Very low35.1Very low46 Ų46113.5 Ų113.538%0.3863%0.629SS.*  cis90100.314.200000119.4V328V328-A330 HydrophobicContact CG1-CB 4.05Å
331K31.3Very low37.1Very low217 Ų217103.3 Ų103.394%0.94358%0.584SS**  trans-166.6112.4168.7-98.7-178.8-178.2172.90113.7
332S29.8Very low38.9Very low116 Ų116102.9 Ų102.981%0.81158%0.575SS**  trans-167.6172.214969.40000112.7
333S31.9Very low40.6Very low115 Ų11599.5 Ų99.580%0.80455%0.551SS**  trans-73.7149.1-164.9-171.30000116.1
334F34.5Very low42.3Very low134 Ų13492.9 Ų92.959%0.58852%0.52SS*.  trans-96.6131.1179.4-61.2-77.7000113.2C339 S343F334-C339 HydrophobicContact CB-CB 4.18Å; F334-C339 HydrophobicContact CD1-CB 4.18Å; F334-S343 WeakPolarHBondContact CD1-OG 3.48Å; F334-S343 WeakPolarHBondContact CD2-OG 3.45Å; F334-S343 VanDerWaalsContact CE1-OG 3.28Å; F334-S343 WeakPolarHBondContact CE1-OG 3.48Å; F334-S343 WeakPolarHBondContact CE2-OG 3.33Å; F334-S343 WeakPolarHBondContact CG-OG 3.44Å; F334-S343 WeakPolarHBondContact CZ-OG 3.27Å
335R50.8Low43.8Very low256 Ų25686.5 Ų86.597%0.96649%0.487SS*.  trans-997.3-174.4-105.2-170.8178.8-157.70.4116.8
336S45.7Very low44.2Very low50 Ų5092.7 Ų92.735%0.3550%0.496SS..  trans-141.9152.3178.9174.50000113.3E338 C339 L340S336-E338 VanDerWaalsContact C-N 3.29Å; S336-E338 PolarHBondContact OG-N 3.07Å; S336-C339 WeakPolarHBondContact O-CB 3.36Å; S336-C339 PolarHBondContact O-N 2.8Å; S336-L340 PolarHBondContact O-N 3.07Å
337T48.1Very low45.1Very low40 Ų4095.7 Ų95.725%0.24550%0.499CS..Hα-helixtrans-62.7-36.117252.80000112K78 L340 L341K78-T337 HydrophobicContact CB-CG2 4.02Å; K78-T337 HydrophobicContact CD-CG2 3.73Å; K78-T337 HydrophobicContact CG-CG2 3.72Å; T337-L340 PolarHBondContact O-N 3.35Å; T337-L341 PolarHBondContact O-N 2.92Å
338E52.7Low45.2Very low76 Ų7693.3 Ų93.336%0.35550%0.498SS..Hα-helixtrans-68.8-38.6174.2-66.4-156.4130.600111.3A13 T14 S336 L341 L342A13-E338 HydrophobicContact CB-CB 3.67Å; A13-E338 HydrophobicContact CB-CG 4.15Å; T14-E338 WeakPolarHBondContact CA-OE1 3.33Å; T14-E338 VanDerWaalsContact CB-OE1 3.25Å; T14-E338 WeakPolarHBondContact CB-OE1 3.37Å; T14-E338 PolarHBondContact N-OE1 2.99Å; T14-E338 PolarHBondContact OG1-OE1 2.89Å; S336-E338 VanDerWaalsContact C-N 3.29Å; S336-E338 PolarHBondContact OG-N 3.07Å; E338-L341 PolarHBondContact O-N 3.45Å; E338-L342 WeakPolarHBondContact O-CG 3.26Å; E338-L342 PolarHBondContact O-N 2.67Å; E338-L342 VanDerWaalsContact O-N 3.14Å
339C52.8Low45.2Very low50 Ų5091.7 Ų91.734%0.33849%0.49SS..Hα-helixtrans-61.9-42.7171.8-66.10000111.3F334 S336 L341 L342 S343F334-C339 HydrophobicContact CB-CB 4.18Å; F334-C339 HydrophobicContact CD1-CB 4.18Å; S336-C339 WeakPolarHBondContact O-CB 3.36Å; S336-C339 PolarHBondContact O-N 2.8Å; C339-L341 VanDerWaalsContact C-N 3.33Å; C339-L341 PolarHBondContact O-N 3.1Å; C339-L342 CarbonylContact O-C 3.46Å; C339-L342 WeakPolarHBondContact O-CA 3.39Å; C339-L342 WeakPolarHBondContact O-CB 3.28Å; C339-L342 PolarHBondContact O-N 2.68Å; C339-S343 PolarHBondContact O-N 2.73Å; C339-S343 PolarHBondContact O-OG 2.85Å
340L65.1Low44.5Very low26 Ų2692.6 Ų92.614%0.13650%0.497CS..Hα-helixtrans-58.6-43.3177.5-170.5154.6000111.7Q74 S336 T337 L342 S343 L344Q74-L340 HydrophobicContact CB-CD1 4.2Å; S336-L340 PolarHBondContact O-N 3.07Å; T337-L340 PolarHBondContact O-N 3.35Å; L340-L342 PolarHBondContact O-N 2.86Å; L340-S343 WeakPolarHBondContact O-CB 3.42Å; L340-S343 PolarHBondContact O-N 3.41Å; L340-S343 VanDerWaalsContact O-N 3.11Å; L340-L344 HydrophobicContact CD2-CD1 4.17Å; L340-L344 HydrophobicContact CD2-CG 4.4Å; L340-L344 WeakPolarHBondContact O-CG 3.33Å; L340-L344 PolarHBondContact O-N 3.39Å
341L67.3Low44.6Very low1 Ų197 Ų971%0.00551%0.514CS..Hα-helixtrans-63.6-28.3173.5-78.8178000113.7L16 W17 F63 L75 T337 E338 C339 L345L16-L341 HydrophobicContact CB-CD1 4.33Å; W17-L341 HydrophobicContact CB-CD1 3.55Å; W17-L341 HydrophobicContact CD2-CD1 4.48Å; W17-L341 HydrophobicContact CE3-CD1 3.89Å; W17-L341 HydrophobicContact CG-CD1 4.42Å; F63-L341 HydrophobicContact CE1-CD2 4.06Å; F63-L341 HydrophobicContact CZ-CD2 4.04Å; L75-L341 HydrophobicContact CD1-CD2 4.04Å; L75-L341 HydrophobicContact CD1-CG 4.49Å; L75-L341 HydrophobicContact CD2-CD2 4.41Å; T337-L341 PolarHBondContact O-N 2.92Å; E338-L341 PolarHBondContact O-N 3.45Å; C339-L341 VanDerWaalsContact C-N 3.33Å; C339-L341 PolarHBondContact O-N 3.1Å; L341-L345 WeakPolarHBondContact O-CG 3.35Å
342L60Low44.8Very low80 Ų8095.3 Ų95.342%0.41951%0.51SS..Hα-helixtrans-78.8-28.6172-64171.1000112.3A13 E338 C339 L340 L344 L345A13-L342 HydrophobicContact CB-CD1 4.16Å; A13-L342 HydrophobicContact CB-CD2 4.2Å; A13-L342 HydrophobicContact CB-CG 3.96Å; E338-L342 WeakPolarHBondContact O-CG 3.26Å; E338-L342 PolarHBondContact O-N 2.67Å; E338-L342 VanDerWaalsContact O-N 3.14Å; C339-L342 CarbonylContact O-C 3.46Å; C339-L342 WeakPolarHBondContact O-CA 3.39Å; C339-L342 WeakPolarHBondContact O-CB 3.28Å; C339-L342 PolarHBondContact O-N 2.68Å; L340-L342 PolarHBondContact O-N 2.86Å; L342-L344 VanDerWaalsContact C-N 3.27Å; L342-L344 PolarHBondContact O-N 3.07Å; L342-L345 HydrophobicContact CD2-CD1 3.84Å; L342-L345 WeakPolarHBondContact O-CB 3.29Å; L342-L345 PolarHBondContact O-N 3.15Å
343S57Low44.8Very low44 Ų4494.2 Ų94.231%0.30851%0.508SS..Hα-helixtrans-70.9-20.2174.1-48.20000113.4F334 C339 L340 L345F334-S343 WeakPolarHBondContact CD1-OG 3.48Å; F334-S343 WeakPolarHBondContact CD2-OG 3.45Å; F334-S343 VanDerWaalsContact CE1-OG 3.28Å; F334-S343 WeakPolarHBondContact CE1-OG 3.48Å; F334-S343 WeakPolarHBondContact CE2-OG 3.33Å; F334-S343 WeakPolarHBondContact CG-OG 3.44Å; F334-S343 WeakPolarHBondContact CZ-OG 3.27Å; C339-S343 PolarHBondContact O-N 2.73Å; C339-S343 PolarHBondContact O-OG 2.85Å; L340-S343 WeakPolarHBondContact O-CB 3.42Å; L340-S343 PolarHBondContact O-N 3.41Å; L340-S343 VanDerWaalsContact O-N 3.11Å; S343-L345 PolarHBondContact O-N 3.49Å
344L56.8Low44.7Very low18 Ų1898.1 Ų98.19%0.09451%0.514CS..THydrogen-bonded Turntrans-81.511.2170.2-59.8179000112.9F63 Q71 L340 L342F63-L344 HydrophobicContact CD1-CB 3.83Å; F63-L344 HydrophobicContact CD1-CD1 4.49Å; F63-L344 HydrophobicContact CE1-CB 4.17Å; F63-L344 HydrophobicContact CE1-CD1 4.43Å; Q71-L344 HydrophobicContact CB-CD2 3.77Å; Q71-L344 VanDerWaalsContact CD-CD2 3.48Å; Q71-L344 HydrophobicContact CG-CD2 3.71Å; L340-L344 HydrophobicContact CD2-CD1 4.17Å; L340-L344 HydrophobicContact CD2-CG 4.4Å; L340-L344 WeakPolarHBondContact O-CG 3.33Å; L340-L344 PolarHBondContact O-N 3.39Å; L342-L344 VanDerWaalsContact C-N 3.27Å; L342-L344 PolarHBondContact O-N 3.07Å
345L55.1Low44.5Very low25 Ų2596.7 Ų96.713%0.13152%0.52CS..SBendtrans-118.1136.8-179.8-50.3170.7000108.2R12 L16 N62 F63 L341 L342 S343 Q347R12-L345 VanDerWaalsContact NH1-CD1 3.34Å; L16-L345 HydrophobicContact CD1-CD1 3.84Å; N62-L345 WeakPolarHBondContact O-CD2 3.13Å; F63-L345 HydrophobicContact CD1-CD2 3.9Å; F63-L345 HydrophobicContact CE1-CD2 4.19Å; L341-L345 WeakPolarHBondContact O-CG 3.35Å; L342-L345 HydrophobicContact CD2-CD1 3.84Å; L342-L345 WeakPolarHBondContact O-CB 3.29Å; L342-L345 PolarHBondContact O-N 3.15Å; S343-L345 PolarHBondContact O-N 3.49Å; L345-Q347 PolarHBondContact O-N 3.33Å
346R42.5Very low43.6Very low247 Ų24790.2 Ų90.293%0.93251%0.511SS*.  trans-39.1123.9-166.4-176.4177173.7-174.2-1.2114.8
347Q42.4Very low42.9Very low161 Ų16195.4 Ų95.475%0.75253%0.532SS*.  trans-68.5138.6-174.2-167.5172.69.500113.5L345L345-Q347 PolarHBondContact O-N 3.33Å
348G28.1Very low42.4Very low67 Ų67104 Ų10469%0.69156%0.56SS**  trans-162147.6172.600000110.2
349S29.1Very low41.7Very low44 Ų44104.4 Ų104.431%0.30858%0.576SS.*  trans-84.6142.9-168.127.90000115.2V327 V328V327-S349 PolarHBondContact O-OG 3.47Å; V328-S349 VanDerWaalsContact CG1-CB 3.48Å; V328-S349 WeakPolarHBondContact CG1-OG 3.47Å
350C25.5Very low41.2Very low131 Ų131107.7 Ų107.789%0.88559%0.594SS**  trans-135.7131.2142.6-65.60000107
351D29.6Very low39.9Very low138 Ų138114 Ų11474%0.73863%0.628SS**  trans-99.6152.8164.9-87.6-56.4000109.8
352E37.2Very low38.4Very low182 Ų182119.1 Ų119.185%0.8566%0.664SS**  trans-78.2140.7171.2-75.3-156.7126.500111.4
353A29Very low37.1Very low93 Ų93118.2 Ų118.277%0.76967%0.674SS**  trans-139.7119.7158.700000110.4
354E29.3Very low35.9Very low198 Ų198122.3 Ų122.393%0.92570%0.697SS**  trans52.9109.6159.1-53.6-162.5145.200120
355S30.9Very low34.7Very low104 Ų104129.2 Ų129.273%0.72773%0.733SS**  trans-127.9130.5151.1-173.60000108.7M357S355-M357 VanDerWaalsContact C-N 3.33Å; S355-M357 PolarHBondContact O-N 2.93Å; S355-M357 VanDerWaalsContact O-N 3.08Å
356P32.3Very low33.3Very low120 Ų120137.7 Ų137.778%0.77977%0.772SS**G310 helixtrans-78.81.9-150.328.4-37.1000117R358P356-R358 PolarHBondContact O-N 2.91Å
357M31.1Very low32.7Very low159 Ų159131.6 Ų131.678%0.78377%0.767SS**G310 helixtrans-85.6-3.7-171.1-64.2-144.6-60.800115.9S355 A359S355-M357 VanDerWaalsContact C-N 3.33Å; S355-M357 PolarHBondContact O-N 2.93Å; S355-M357 VanDerWaalsContact O-N 3.08Å; M357-A359 VanDerWaalsContact C-N 3.29Å; M357-A359 PolarHBondContact O-N 3.3Å
358R37.6Very low32Very low219 Ų219133.7 Ų133.783%0.82677%0.768SS**G310 helixtrans-72.2-18.5-175.1-137.8174.8-164.9147.75.6114.6P356P356-R358 PolarHBondContact O-N 2.91Å
359A37.5Very low31.9Very low85 Ų85140.1 Ų140.170%0.70278%0.777SS**G310 helixtrans-86.6-5.2-175.300000115.1M357M357-A359 VanDerWaalsContact C-N 3.29Å; M357-A359 PolarHBondContact O-N 3.3Å
360V42.2Very low31.8Very low119 Ų119144.7 Ų144.772%0.72179%0.794SS**SBendtrans-96.1-17.4-169.3-177.10000113.3
361L37.5Very low32Very low159 Ų159144.3 Ų144.383%0.83279%0.792SS**SBendtrans-118-8.2-172.6-64176.6000115.2G363L361-G363 PolarHBondContact O-N 3.27Å
362S36.1Very low31.7Very low109 Ų109141.1 Ų141.176%0.76279%0.792SS**  trans-79.864.6175.458.10000111.4
363G33.2Very low31.2Very low61 Ų61137.8 Ų137.863%0.62980%0.795SS**  trans-13619.2-156.100000118.4L361L361-G363 PolarHBondContact O-N 3.27Å
364T31.9Very low31Very low130 Ų130137 Ų13780%0.79880%0.796SS**SBendtrans-174.4123.6155.8-78.70000110.6
365L30Very low30.9Very low163 Ų163131.4 Ų131.485%0.85379%0.792SS**  trans157.679.3146-89.8174.6000110.3
366Q27.2Very low30.6Very low203 Ų203131.1 Ų131.195%0.94980%0.796SS**  trans-105.794.1161.4-88.6-175.4-19.200109.4
367S28.7Very low30.3Very low118 Ų118131.8 Ų131.883%0.82580%0.803SS**  trans-75135.4167.7-172.10000109.8K369S367-K369 PolarHBondContact O-N 3.44Å
368R28.4Very low30Very low205 Ų205126.8 Ų126.877%0.77479%0.792SS**  trans-73.6122.4-175177.4-178.9177.8-178.8-1.4110.9E370R368-E370 IonicContact CZ-OE1 2.75Å; R368-E370 IonicContact NE-OE1 3.87Å; R368-E370 PolarHBondContact NE-OE1 3.18Å; R368-E370 IonicContact NH2-OE1 3.22Å; R368-E370 PolarHBondContact NH2-OE1 3.04Å
369K26.1Very low29.6Very low202 Ų202122.8 Ų122.888%0.87879%0.793SS**  trans-145.6132.5159.6-150.7168.3-172.2175.80111S367S367-K369 PolarHBondContact O-N 3.44Å
370E26.4Very low29.1Very low141 Ų141125 Ų12566%0.65979%0.792SS**  trans-103130-168.7-73.1160.9-16200112.2R368R368-E370 IonicContact CZ-OE1 2.75Å; R368-E370 IonicContact NE-OE1 3.87Å; R368-E370 PolarHBondContact NE-OE1 3.18Å; R368-E370 IonicContact NH2-OE1 3.22Å; R368-E370 PolarHBondContact NH2-OE1 3.04Å
371S29.2Very low28.3Very low123 Ų123125.5 Ų125.586%0.8679%0.79SS**  trans-167.3141.3163.355.90000107.6
372G23.7Very low27.8Very low70 Ų70125.7 Ų125.772%0.72279%0.785SS**  cis139.6112.75.800000108.7
373A26.8Very low27.2Very low112 Ų112126.8 Ų126.893%0.92679%0.787SS**  trans65.7151.5-166.100000115.5
374G25.4Very low27Very low76 Ų76130.3 Ų130.378%0.78480%0.796SS**  cis169.1119.2-12.300000115
375G26Very low26.8Very low82 Ų82133.4 Ų133.485%0.84580%0.798SS**  trans73170.1168.400000116.7
376A26Very low26.6Very low97 Ų97133.8 Ų133.880%0.80280%0.801SS**  cis-165.2149.2-21.500000110
377S26.7Very low26.6Very low134 Ų134134.8 Ų134.894%0.93780%0.796SS**  trans60.8153177.6-77.10000117.6
378G24.6Very low26.4Very low54 Ų54135 Ų13556%0.55779%0.792SS**  cis151.9139.9-11.200000113.8
379T28.9Very low26.3Very low135 Ų135135.5 Ų135.583%0.82879%0.794SS**  trans70152.5172.385.30000115
380N26.1Very low26.3Very low131 Ų131130.4 Ų130.470%0.70178%0.783SS**  cis-163.5163.8-15.6-127-33.6000112
381L26.2Very low26.3Very low130 Ų130129 Ų12968%0.68179%0.788SS**  trans61.9160160.6-87.277000118
382K26.3Very low26.1Very low163 Ų163128.5 Ų128.571%0.70979%0.785SS**  cis-169.4141-36.3-119.5-178.2-157.9170.70108.6
383T24.4Very low26.2Very low132 Ų132133.2 Ų133.281%0.8179%0.792SS**  trans62.3161.416156.10000115.9
384V28.6Very low26.3Very low135 Ų135136.3 Ų136.382%0.81879%0.788SS**  cis-137.9154.327.5166.90000111.6
385K26.9Very low26.6Very low195 Ų195138.4 Ų138.485%0.84879%0.785SS**  trans-78.7151.4173.1-64.3172.3178170.70111.9
386L27Very low26.7Very low172 Ų172141.2 Ų141.290%0.90178%0.779SS**  trans-145.9133.3138-107168.9000111.4
387R25.6Very low26.8Very low224 Ų224143.8 Ų143.885%0.84578%0.779SS**  trans-82.1175.9158.4-69.2173.7156.8172.9-9.1107.3
388T25.6Very low26.7Very low121 Ų121143.9 Ų143.974%0.74277%0.769SS**  cis-172.2166.936.8-20.60000105.4
389R25.2Very low26.7Very low217 Ų217146.2 Ų146.282%0.81978%0.775SS**  cis-170.8138.745.7-116.7172.7-172.5179.7-0.7107.2
390S26.5Very low26.5Very low94 Ų94145.1 Ų145.166%0.65777%0.774SS**  52.4142.2103.578.40000116.3
391C26Very low27.9Very low112 Ų112144.2 Ų144.276%0.75778%0.775SS**  cis-134.2159.418.7-55.40000110.1
392S25.7Very low28Very low113 Ų113145.4 Ų145.479%0.7978%0.781SS**  cis77.6107.632-61.10000116.4
393L26.8Very low28.1Very low168 Ų168148.6 Ų148.688%0.8879%0.788SS**  -156.5138.3128.9-117.8169.5000110
394E28.2Very low28.1Very low178 Ų178145.7 Ų145.783%0.83279%0.785SS**  trans-106.8-168.7-179.8-58.7173.9120.300110.5
395T30.5Very low28.1Very low120 Ų120147.9 Ų147.974%0.73679%0.791SS**  trans144.8140.5135.551.60000112.3
396I29.6Very low28.2Very low140 Ų140145.6 Ų145.672%0.71878%0.783SS**  cis-166.9173.1-9.3-119.1169.8000111.2
397L28.1Very low29Very low152 Ų152143 Ų14380%0.79678%0.776SS**  trans74.4143.9170-71.2146.4000119.3
398D25Very low29.2Very low136 Ų136139.9 Ų139.973%0.72777%0.769SS**  cis-166.3-171.3-35.6-133.6-50.6000113.4
399C24.5Very low30.1Very low102 Ų102139.8 Ų139.869%0.68977%0.771SS**  trans-117.4136.7-154.5-490000119.1
400S24.5Very low30.2Very low113 Ų113134.7 Ų134.779%0.7977%0.768SS**  trans71.3-168.5135.6-50.90000120.4
401P54.8Low30.6Very low111 Ų111134.8 Ų134.872%0.72177%0.768SS**  -134.7-167.8-8541.2-23.6000118.1
402L28.1Very low30.8Very low155 Ų155135.7 Ų135.781%0.81277%0.766SS**  trans90.6158.4169-46.3179.1000117
403R28.2Very low30.9Very low230 Ų230137.9 Ų137.987%0.86876%0.763SS**  cis-162.1150.46.4-148.8177.1-178.7179.60.1114.7
404G25.9Very low31.2Very low71 Ų71137.2 Ų137.273%0.73276%0.761SS**  trans87153.7154.500000118.3
405L27Very low32.1Very low182 Ų182134.2 Ų134.295%0.95376%0.757SS**  cis-153.2174.4-2.8-105.7168.6000111.8
406Q30Very low32Very low146 Ų146134.9 Ų134.968%0.68276%0.76SS**  trans-106.1-173-172.5-120.2-163.745.300113
407P42.8Very low32Very low117 Ų117137.3 Ų137.376%0.7677%0.766SS**  cis-144.4-165.926.142.9-19.6000119.2
408F30Very low33.3Very low159 Ų159135.1 Ų135.170%0.69776%0.76SS**  trans-85173.5-177.2-69.1-93.4000116.1
409P45.3Very low34.3Very low119 Ų119135 Ų13577%0.77377%0.767SS**  -125.9154.673.75.719.4000114.6
410C26.8Very low34.6Very low111 Ų111138 Ų13875%0.7577%0.771SS**  76.3134.163.1-70.40000115.3
411S34.5Very low34.7Very low95 Ų95139.5 Ų139.566%0.66477%0.77SS**  cis-159-178.78.9-86.80000115.2
412N30.5Very low33.3Very low132 Ų132137.7 Ų137.771%0.70677%0.772SS**  trans89.1145.4163.1-58.273.8000117
413E27.5Very low33.2Very low159 Ų159139 Ų13974%0.74377%0.774SS**  cis-165.9174.3-19.7-122.2172.2147.500112.8
414N32.5Very low33.2Very low154 Ų154134.4 Ų134.482%0.82477%0.766SS**  trans-155.5171.8170-72.6-79.9000110.1
415P48.3Very low33.3Very low115 Ų115137.6 Ų137.675%0.74777%0.766SS**  -163.2163.195.942.3-21.9000120.7
416V27.1Very low33.2Very low133 Ų133134.3 Ų134.381%0.80675%0.754SS**  trans67.2159.3138.5158.10000121.5
417F30.3Very low33Very low191 Ų191132.1 Ų132.184%0.83875%0.75SS**  -169.1167.7-57.9-110-40.4000109.3
418P56.1Low32.3Very low106 Ų106135 Ų13569%0.68875%0.751SS**  trans-100.1172.5-172.639.6-39.7000116.7
419P45.6Very low32.2Very low134 Ų134133.3 Ų133.387%0.8775%0.754SS**  -135-140.512941.1-29.9000114.7
420Q29.8Very low31.4Very low165 Ų165133.5 Ų133.577%0.77175%0.753SS**  trans-147.5167.6-164.1-142.1-171.3-51.500112.7
421D26.7Very low31.4Very low144 Ų144137.5 Ų137.577%0.7776%0.758SS**  trans60.1153.9163.8-56.8-18.3000120.1
422G26.9Very low31Very low74 Ų74136.5 Ų136.576%0.76376%0.755SS**  trans-178.9-30.5175.800000127.4
423H25Very low30.8Very low182 Ų182137.6 Ų137.684%0.84376%0.761SS**  trans69.5150169.8-121.8-89.8000122.2
424L28Very low30.7Very low133 Ų133134.3 Ų134.370%0.69676%0.756SS**  trans87.5130.7156.9-62.7178.3000124.1
425N28Very low30.3Very low139 Ų139136.6 Ų136.674%0.74376%0.759SS**  trans72.9143.9145.6-63.9-2.8000120.1
426T25.2Very low29.2Very low113 Ų113137.1 Ų137.169%0.69376%0.76SS**  cis-160.5147.2-9.4-96.10000110.6
427T25.9Very low29.2Very low99 Ų99140.8 Ų140.861%0.60776%0.759SS**  trans-9.1156.3171.216.50000121.6
428F28.2Very low29Very low179 Ų179137.9 Ų137.979%0.78575%0.748SS**  cis-122.7-155.39.7-60.2-92.3000110.8
429T28.1Very low27.6Very low123 Ų123139.9 Ų139.976%0.75575%0.753SS**  cis-164156.310.2-10.80000107
430T28.4Very low26.8Very low122 Ų122138.1 Ų138.175%0.74875%0.749SS**  cis-1521798.4-30.50000111.3
431K25.9Very low26.7Very low195 Ų195135.4 Ų135.485%0.84876%0.755SS**  trans-47.8161.7166.4-66.9177.7178.7-178.10117
432A27.3Very low26.6Very low75 Ų75132 Ų13262%0.6275%0.754SS**  cis-176.2161.4-18.200000110.8
433D25.8Very low26.6Very low154 Ų154135 Ų13582%0.82476%0.757SS**  trans38.7147.4137.5-61.6-37.7000123.1
434S26.5Very low26.7Very low91 Ų91132.1 Ų132.164%0.63675%0.753SS**  cis-175.6144.6-11.455.60000112.4
435F23.8Very low26.6Very low201 Ų201132.8 Ų132.888%0.88276%0.762SS**  trans52.7162.5142.2-88.8-92.4000124.8
436V25.8Very low26.5Very low126 Ų126137.5 Ų137.576%0.76477%0.77SS**  trans7396.7165.8-157.80000116.8
437R25.5Very low26.6Very low211 Ų211138.2 Ų138.280%0.79678%0.779SS**  68.9138.467.3-156.4-163.5139.5141.4-10.6115.1
438E26.8Very low26.7Very low129 Ų129139.2 Ų139.260%0.60379%0.79SS**  trans102.2101159-53.4-149142.400121.5
439N26.9Very low26.6Very low149 Ų149135.9 Ų135.980%0.79780%0.796SS**  52.4129.8116-66.3-9.4000124
440A28.7Very low26.5Very low96 Ų96133.4 Ų133.479%0.79380%0.795SS**  trans98.1110.4131.700000121.9
441A27Very low26.4Very low108 Ų108133.8 Ų133.889%0.89380%0.803SS**  trans55.1128.3132.600000122.4
442G25.9Very low26.5Very low73 Ų73136.2 Ų136.275%0.75381%0.806SS**  trans-178.679.1168.600000119.1
443V25.8Very low26.5Very low136 Ų136138.9 Ų138.982%0.82481%0.814SS**  trans46.9109.6136.3-176.10000121.7
444V26.7Very low26.6Very low123 Ų123142 Ų14275%0.74582%0.815SS**  40.4121129.4-173.10000121.1
445T26.2Very low26.6Very low147 Ų147145 Ų14590%0.90282%0.819SS**  -165169.9120.69.70000114.1
446R27Very low26.8Very low238 Ų238141.9 Ų141.990%0.89881%0.811SS**  trans-103.2149-177.8-57.7148.367.1-176.64.9110.6
447S25.7Very low26.7Very low127 Ų127143.2 Ų143.289%0.88881%0.813SS**  trans-165.4143.9135.851.90000112.6
448S27.8Very low26.7Very low120 Ų120136.9 Ų136.984%0.83981%0.814SS**  trans-103.1143.9175.153.60000111.5
449A26.7Very low26.7Very low109 Ų109140.2 Ų140.290%0.90183%0.829SS**  trans-145.8138.8153.800000109.6
450G26.4Very low26.7Very low71 Ų71137.6 Ų137.673%0.73283%0.829SS**  trans-134.3161.717000000109.4
451S27Very low26.5Very low131 Ų131138.9 Ų138.992%0.91683%0.832SS**  trans-148.2154.4170.9-83.20000110.9
452R28Very low26.4Very low245 Ų245138.1 Ų138.193%0.92583%0.826SS**  trans-114.7156.6-170.3-54.4172.4177.8178.7-2.4110.4
453V26.8Very low26.5Very low131 Ų131146 Ų14679%0.79483%0.833SS**  trans-171.8118.1141.8139.20000103.7
454R27.2Very low27.6Very low221 Ų221144.5 Ų144.583%0.83483%0.826SS**  51.9140.987.8-67.6-173.2173.5178.9-2.3112
455Q26.9Very low27.7Very low154 Ų154146.9 Ų146.972%0.7283%0.828SS**  cis-163.4135.333.5-161.5149.6-62.700113.4
456L27.1Very low27.7Very low135 Ų135145.2 Ų145.271%0.70782%0.823SS**  trans50.2146142.4-67.7173.9000126
457D24.7Very low27.7Very low153 Ų153139.2 Ų139.282%0.81882%0.818SS**  trans66.5148.1144.9-59.7-32.3000123.3
458G25.5Very low27.8Very low79 Ų79138.4 Ų138.481%0.81481%0.811SS**  trans149.9106.5169.800000115.1
459Q27.5Very low27.9Very low198 Ų198140.2 Ų140.293%0.92581%0.81SS**  trans-84.3138.2-175.5-70.9173.8-3800115.4
460A25.3Very low27.8Very low95 Ų95141 Ų14179%0.78580%0.799SS**  trans40139.9131.800000124.3
461S24.8Very low27.9Very low122 Ų122144.3 Ų144.385%0.85380%0.798SS**  trans105.6159135.1-150.50000120.4
462A24.4Very low27.8Very low93 Ų93144 Ų14477%0.76979%0.791SS**  trans77.8131.716500000121.8
463R29.5Very low27.7Very low238 Ų238140 Ų14090%0.89878%0.784SS**  trans-95.7-168.5150-52.8175173.3173.3-3.9107.1
464P49.3Very low27.8Very low105 Ų105141.6 Ų141.668%0.68278%0.781SS**  cis-146.7-168.9-0.343-21.4000117.3
465H27.4Very low27.9Very low172 Ų172136.5 Ų136.580%0.79678%0.775SS**  trans69.8136.5144.7-88.2-74.4000125.2
466S27Very low28.2Very low112 Ų112136.8 Ų136.878%0.78377%0.773SS**  trans72.5162.8153.979.50000117.7
467S27.6Very low28.4Very low113 Ų113136.6 Ų136.679%0.7977%0.769SS**  cis-149.6-175.12.1-156.90000112.6
468C26.6Very low28.7Very low110 Ų110137.6 Ų137.674%0.74377%0.768SS**  trans-91.3-169-167.6-50.40000116.7
469L29.3Very low29.2Very low158 Ų158141.2 Ų141.283%0.82776%0.764SS**  trans104.9145.9152.9-55.6-175000119
470D26.6Very low29.5Very low126 Ų126137.6 Ų137.667%0.67475%0.747SS**  cis-171.6170.4-32.7-140.8-16.5000115.3
471I28.1Very low29.7Very low139 Ų139142.7 Ų142.771%0.71375%0.746SS**  trans76.2151.4143.3-79156.9000124.4
472V23.7Very low29.8Very low126 Ų126140.1 Ų140.176%0.76474%0.739SS**  trans95111.3171-1680000116.7
473M27.1Very low30.2Very low159 Ų159141.7 Ų141.778%0.78374%0.739SS**  cis84.3141.929.4-63.8-78.8-17000115.2
474K28Very low30.3Very low166 Ų166137.3 Ų137.372%0.72273%0.726SS**  cis-163.6175.15.3-145.6172.7176.6179.90113.7
475T30.5Very low29.3Very low114 Ų114142.5 Ų142.570%0.69973%0.733SS**  trans70.4142.4154.644.80000119.2
476K33.2Very low29.3Very low160 Ų160138.6 Ų138.670%0.69673%0.725SS**  cis-140.6-158.93.6-127.4159.6160.2-72.70108.1
477E30Very low29.2Very low131 Ų131138.7 Ų138.761%0.61273%0.726SS**  cis-146.9-137.213.4-163.847.9-71.900112.4
478E32.3Very low29.2Very low173 Ų173138.3 Ų138.381%0.80872%0.722SS**  trans-136.6158.6-166.2-74.4-176.9154.300113.5
479E34.6Very low29.3Very low155 Ų155140.5 Ų140.572%0.72473%0.725SS**  cis-134.2-95.6-30.9-164.8-127.1118.400109.1R481E479-R481 PolarHBondContact OE1-N 3.36Å
480H35Very low29.2Very low123 Ų123139.4 Ų139.457%0.56972%0.72SS**  cis-140.9126.6-28.2-171.355.5000113
481R29.3Very low29.2Very low201 Ų201138.6 Ų138.676%0.75872%0.72SS**  trans54.3100.8162-163.3-177.1-53.6-129.52.4115.9E479E479-R481 PolarHBondContact OE1-N 3.36Å
482G27Very low29Very low68 Ų68138.5 Ų138.570%0.70172%0.721SS**  cis177.2-133.511.900000108.6
483T32.6Very low29Very low127 Ų127140.7 Ų140.778%0.77972%0.723SS**  cis158.7131-21.7-89.70000106
484K31.3Very low28.9Very low145 Ų145143.8 Ų143.863%0.6373%0.727SS**  cis-164176.1-9.8-105.5169.4166.7-170.90105
485W28.3Very low30.2Very low214 Ų214141.2 Ų141.281%0.81173%0.727SS**  cis-161.6-167.83.6-122.1-36.1000104.8
486S27.2Very low30.7Very low91 Ų91141 Ų14164%0.63673%0.728SS**  cis-169.7133.2-15.842.60000105
487S26Very low30.3Very low114 Ų114138.4 Ų138.480%0.79773%0.73SS**  cis78.9118.518.4-157.30000115.3
488C25.7Very low30Very low105 Ų105137.3 Ų137.371%0.70974%0.737SS**  cis-170.6170.7-16.1-142.70000113
489L29.5Very low29.7Very low155 Ų155133.7 Ų133.781%0.81273%0.73SS**  trans67.7177.1159.9-54.5159.6000115.9
490N27.2Very low29.3Very low136 Ų136134.1 Ų134.173%0.72773%0.733SS**  cis-154.41695.2-152.19.7000115.3
491V25.8Very low28.9Very low109 Ų109136.2 Ų136.266%0.66174%0.743SS**  trans-23.7137.8165.4166.80000120.4
492N24.9Very low28.7Very low137 Ų137133.6 Ų133.673%0.73374%0.743SS**  -172.2164.7113.1-126.8-17.3000119.5
493Q24.4Very low28.6Very low172 Ų172137.9 Ų137.980%0.80475%0.749SS**  trans-24.1156.8179.2-82.8162.5-38.200126.5
494Y23.7Very low28.4Very low223 Ų223137 Ų13788%0.87575%0.747SS**  trans-73.3170.8155.6-77.8-84.1000112.1
495P54.8Low28.1Very low113 Ų113137.6 Ų137.673%0.73476%0.757SS**  cis-125.5-131.213.429.3-1.9000110
496P42.8Very low28.7Very low108 Ų108132.9 Ų132.970%0.70175%0.754SS**  cis-140.5174.1-14.642.9-23.6000118.7
497S23.2Very low28.6Very low106 Ų106132.4 Ų132.474%0.74176%0.755SS**  trans44.3105.5143.7-59.80000124.5
498S24.7Very low28.6Very low109 Ų109136.8 Ų136.876%0.76276%0.76SS**  77.3137.4110.9-56.10000124.5
499S25.3Very low28.7Very low96 Ų96135.4 Ų135.467%0.67176%0.756SS**  trans100120.8138-72.10000121.7
500Q27.2Very low28.5Very low165 Ų165137 Ų13777%0.77176%0.759SS**  trans69.6109.7138.9-65.9169.76.900117.4
501Q26.4Very low28.4Very low167 Ų167133.9 Ų133.978%0.7875%0.753SS**  83.9110.665.1-84.6-169.6-28.700113.5
502L25.1Very low28.4Very low145 Ų145137.7 Ų137.776%0.75976%0.763SS**  146.8132.4127.5-81.9161.5000111.6
503L24.3Very low28.5Very low158 Ų158134.5 Ų134.583%0.82776%0.762SS**  trans57.2145.5145.4-60.1171.3000118.7
504S28.4Very low29.5Very low108 Ų108132.3 Ų132.376%0.75576%0.763SS**  cis-159.4162.30.639.50000111.3
505L25.9Very low29.8Very low159 Ų159126 Ų12683%0.83276%0.757SS**  trans-59.5165.8158.1-77.5152.4000110.8
506P41.1Very low28.6Very low114 Ų114126 Ų12674%0.7476%0.76SS**  cis-148.8-179.726.845.4-25.7000119.1
507A25.1Very low28Very low81 Ų81125.6 Ų125.667%0.66976%0.759SS**  trans70.5116.9136.800000124.3
508K26.3Very low28.3Very low206 Ų206126.4 Ų126.490%0.89676%0.76SS**  76.7118.7124.5-83.3-172.4172.9-178.80123.1
509A26Very low28.7Very low76 Ų76125.5 Ų125.563%0.62875%0.754SS**  87.4135.3117.900000121.2
510Q25.2Very low29.1Very low188 Ų188127.8 Ų127.888%0.87976%0.758SS**  trans37.8142.2140.8-64.1170-79.300119.8
511A26.1Very low29.1Very low71 Ų71128 Ų12859%0.58776%0.764SS**  cis161.4169.6-7.100000104.8
512H26.6Very low29.2Very low190 Ų190132.1 Ų132.188%0.8877%0.772SS**  trans74.2140.6177.2-53.6-88.2000117.2
513G25.3Very low29.2Very low69 Ų69129.7 Ų129.771%0.71177%0.773SS**  trans-94.4-138.115900000110
514P46.9Very low29.4Very low126 Ų126129.9 Ų129.982%0.81878%0.775SS**  cis-141.4-174.614.844.1-26.3000116.1
515A28.5Very low30Very low92 Ų92130.5 Ų130.576%0.7678%0.776SS**  trans65.7163.1154.600000117
516S29.5Very low30.4Very low112 Ų112127 Ų12778%0.78377%0.77SS**  cis-137.4-170.1-1.9-58.60000107.8
517S31.3Very low30.9Very low99 Ų99127.6 Ų127.669%0.69277%0.774SS**  cis-163.5-175.610.9-157.30000111.2
518T29.9Very low30.9Very low124 Ų124128.1 Ų128.176%0.76178%0.778SS**  trans66.4138.7165.253.10000117.2
519S32Very low31Very low89 Ų89123 Ų12362%0.62277%0.774SS**  cis143.1145.1-7.556.40000106
520N33.5Very low31.3Very low144 Ų144131.6 Ų131.677%0.7779%0.79SS**  cis-152.7154.84.3-87.5-37.4000108.6
521L28.6Very low31.5Very low171 Ų171134 Ų13490%0.89579%0.792SS**  166.3148.4115.1-86.8172.7000112.1
522W27.7Very low31.7Very low252 Ų252136.3 Ų136.396%0.95580%0.802SS**  trans-87.6171.3178.8-70.9-45000111.4
523A25.6Very low31.9Very low94 Ų94134.9 Ų134.978%0.77780%0.8SS**  cis-149.6168.621.900000115.9
524L28.4Very low32.1Very low163 Ų163137.5 Ų137.585%0.85381%0.807SS**  trans-87.8-170171.8-65.6163.8000109.3
525P40.2Very low31.2Very low121 Ų121136.7 Ų136.779%0.78680%0.804SS**  cis-144.1-176.96.845.6-26.2000117.7
526A35.5Very low31.4Very low86 Ų86140.2 Ų140.271%0.71181%0.809SS**  trans-108.5171.215400000108.4
527P50.1Low31.5Very low126 Ų126141.5 Ų141.582%0.81881%0.807SS**  cis-147.9-149.422.943-19.5000114.8
528A26.7Very low31.5Very low91 Ų91142.6 Ų142.675%0.75281%0.81SS**  trans104.5114.8148.300000121.6
529A28Very low31.5Very low99 Ų99141.5 Ų141.582%0.81881%0.807SS**  trans48.6126.6135.800000123.5
530R32.8Very low31.6Very low256 Ų256146.4 Ų146.497%0.96682%0.817SS**  trans-143.9158.3140.6-92-168.1-177-1610.1112
531R29Very low31.8Very low240 Ų240144.7 Ų144.791%0.90681%0.814SS**  trans-107.1150.6175-66172.9171.1142.5-6.8110.7
532C29.8Very low32.8Very low118 Ų118142.4 Ų142.480%0.79781%0.81SS**  trans-168.7119.4139.3-95.90000106.8
533L30.5Very low33.6Very low161 Ų161136.3 Ų136.384%0.84380%0.802SS**  82.295.163.2-74.7176.3000114.6
534S28.8Very low34.9Very low124 Ų124136.7 Ų136.787%0.86780%0.797SS**  -153.2162.7120.759.60000109.1
535S28.6Very low34.8Very low108 Ų108136.6 Ų136.676%0.75579%0.792SS**  trans-158.4146.6-170.8-178.10000111.2
536L33.6Very low34.3Very low166 Ų166141.8 Ų141.887%0.86980%0.796SS**  trans169.6104.3163.2-95.8158.1000105.1
537D30.2Very low33.9Very low139 Ų139143.1 Ų143.174%0.74380%0.8SS**  cis94.1154.634.8-160.618.6000113.7
538V32.5Very low32.9Very low122 Ų122141.7 Ų141.774%0.73980%0.798SS**  trans77119.4-179.7-171.30000114.6
539S29.8Very low33Very low101 Ų101143.3 Ų143.371%0.70680%0.804SS**  cis-162.7140.1-3.8490000115.6
540K33.9Very low33Very low193 Ų193147.1 Ų147.184%0.83981%0.805SS**  17.6163.9126.9-76.7-176.5173.8174.90121.6
541P38.6Very low32.8Very low107 Ų107141.9 Ų141.970%0.69580%0.795SS**  cis-146-179.6-42.542.4-24.3000114.2
542P49.3Very low32.6Very low124 Ų124137.7 Ų137.781%0.80579%0.791SS**  trans-107.8146.9164.937-30.2000114.7
543P43.5Very low32.6Very low123 Ų123139.2 Ų139.280%0.79979%0.79SS**  trans-105.4170.9168.136.7-28.3000114.1
544P52.6Low32.9Very low102 Ų102137.1 Ų137.166%0.66279%0.787SS**  trans-129.4-162.9-143.845.5-32.4000115.9
545H27.9Very low32.7Very low162 Ų162136.6 Ų136.675%0.7578%0.778SS**  trans152.4125.2141.7-78.4-64.4000109.3
546R28.6Very low32.7Very low229 Ų229136.8 Ų136.886%0.86478%0.778SS**  59.5133.575.5-82.6-167179.8-176.61.1112.8
547S28.3Very low32.4Very low115 Ų115136 Ų13680%0.80478%0.78SS**  cis-144-179.625.2-65.50000113.8
548A27.7Very low32.2Very low95 Ų95134 Ų13479%0.78578%0.783SS**  trans-113.3168.3179.600000113.5
549S29.1Very low32Very low125 Ų125132.9 Ų132.987%0.87479%0.786SS**  trans-153.9156.9158.4-920000110.2
550Q27.8Very low31.9Very low179 Ų179139.3 Ų139.384%0.83680%0.795SS**  trans-130.6179.4-170-69.4-177.1-49.900113.6
551L27.9Very low31.7Very low146 Ų146139.2 Ų139.276%0.76480%0.797SS**  trans89.9114.8162.8-50.3176.2000115.3
552N26.5Very low31.1Very low153 Ų153144.2 Ų144.282%0.81881%0.808SS**  cis-155.1175.347.2-87.3-63.7000114.8
553L28.1Very low30.1Very low149 Ų149146.7 Ų146.778%0.7881%0.809SS**  trans-98.9175.1-179.2-110.672.4000112.1V555L553-V555 HydrophobicContact CD2-CG2 4.11Å
554P36.9Very low29.3Very low117 Ų117148.1 Ų148.176%0.7681%0.809SS**  cis-140.5153.229.839.8-19.6000120.2
555V26Very low28.2Very low113 Ų113149.1 Ų149.169%0.68582%0.816SS**  15.4134.4122.5172.70000117.2L553L553-V555 HydrophobicContact CD2-CG2 4.11Å
556C28.3Very low28.1Very low112 Ų112149.2 Ų149.276%0.75782%0.816SS**  cis-169150.2-4.3-1130000110.6
557V26.8Very low28.1Very low149 Ų149143.7 Ų143.790%0.90381%0.81SS**  trans-149.5153.9152.2171.90000109.5
558A26.6Very low28.1Very low98 Ų98147 Ų14781%0.8181%0.81SS**  trans-71.9165.5-170.400000116.8
559A28.7Very low28.4Very low98 Ų98147.3 Ų147.381%0.8180%0.804SS**  trans-73.6157.9-171.200000115.7
560R27.6Very low28.5Very low237 Ų237150.1 Ų150.189%0.89480%0.803SS**  trans-130.1141.5156.6-74.5-173.5171.6-173.8-2.7109.3F562R560-F562 PolarHBondContact O-N 3.1Å
561H29.6Very low29.5Very low190 Ų190147.2 Ų147.288%0.8879%0.79SS**  trans-65.6119178.3-78.3-112.1000110.9Q563H561-Q563 PolarHBondContact O-N 3.02Å
562F26.2Very low30.3Very low212 Ų212143 Ų14393%0.9377%0.772SS**  trans-82107.5155.9-92.4-89000108.3R560R560-F562 PolarHBondContact O-N 3.1Å
563Q27Very low31.7Very low177 Ų177141.2 Ų141.283%0.82777%0.767SS**PPolyproline II helixtrans-95.1125.8171.6-163.4162.911.600108.5H561H561-Q563 PolarHBondContact O-N 3.02Å
564L27.6Very low33.3Very low153 Ų153135 Ų13580%0.80173%0.734SS**PPolyproline II helixtrans-61.4140.4179.5-125.873.3000110.2Q566L564-Q566 PolarHBondContact O-N 3.28Å
565P29.4Very low34.9Very low123 Ų123135.3 Ų135.380%0.79973%0.726SS**PPolyproline II helixtrans-60.9123.3171.9-21.633.4000110.7
566Q26.2Very low37.2Very low163 Ų163133.5 Ų133.576%0.76272%0.716SS**PPolyproline II helixtrans-65.8149.1170-70.5-72.35.100110.2L564L564-Q566 PolarHBondContact O-N 3.28Å
567P28.6Very low39.3Very low114 Ų114134.2 Ų134.274%0.7471%0.708SS**PPolyproline II helixtrans-64.5138.8177.228.1-33.8000110.6
568K27.6Very low42Very low185 Ų185129.2 Ų129.280%0.80468%0.679SS**PPolyproline II helixtrans-78.8141.6173.2-63.7175.9-177.5173.70109.5E570K568-E570 PolarHBondContact O-N 3.01Å
569P34Very low44.9Very low101 Ų101125.8 Ų125.866%0.65665%0.647SS**PPolyproline II helixtrans-71.9118166.529.6-31.9000109.5H571P569-H571 PolarHBondContact O-N 3.4Å
570E32.1Very low47.7Very low183 Ų183127.6 Ų127.686%0.85563%0.633SS**THydrogen-bonded Turntrans-81.844.5-178.3-56.2-157.5139.500112.7K568K568-E570 PolarHBondContact O-N 3.01Å
571H47.3Very low50.6Low118 Ų118118.9 Ų118.955%0.54661%0.606SS.*THydrogen-bonded Turntrans-125.5-13.8-171.9-67.7-33.3000115.5P569 V573P569-H571 PolarHBondContact O-N 3.4Å; H571-V573 PolarHBondContact O-N 3.02Å
572S45.6Very low53.5Low57 Ų57110 Ų11040%0.39957%0.565SS.*  trans-70.897.7174.4-61.80000111.2L574 E579S572-L574 PolarHBondContact O-N 3.5Å; S572-E579 VanDerWaalsContact CB-OE1 3.24Å; S572-E579 WeakPolarHBondContact CB-OE1 3.49Å; S572-E579 PolarHBondContact OG-OE1 3.1Å
573V56.2Low56.7Low116 Ų116101.2 Ų101.270%0.70353%0.527SS*.  trans-69.8-21.2177178.20000112.3Y307 H571Y307-V573 HydrophobicContact CE1-CB 3.87Å; Y307-V573 HydrophobicContact CE1-CG1 4.25Å; H571-V573 PolarHBondContact O-N 3.02Å
574L61.3Low59.7Low19 Ų1996.3 Ų96.310%0.09950%0.504CS..SBendtrans-92.8158.4178.2-75.7-171.4000114C305 Y307 S572 C578 E579 A582C305-L574 HydrophobicContact CB-CD1 4.46Å; C305-L574 WeakPolarHBondContact O-CD1 3.41Å; C305-L574 VanDerWaalsContact O-CD2 3.28Å; C305-L574 WeakPolarHBondContact O-CD2 3.38Å; Y307-L574 HydrophobicContact CD2-CD1 3.44Å; Y307-L574 VanDerWaalsContact CD2-CD1 3.44Å; Y307-L574 HydrophobicContact CD2-CD2 4.14Å; Y307-L574 HydrophobicContact CD2-CG 3.7Å; Y307-L574 HydrophobicContact CE1-CG 4.35Å; Y307-L574 HydrophobicContact CE2-CD1 3.25Å; Y307-L574 HydrophobicContact CE2-CD2 4.33Å; Y307-L574 HydrophobicContact CE2-CG 3.42Å; Y307-L574 VanDerWaalsContact CE2-CG 3.42Å; Y307-L574 HydrophobicContact CG-CD1 4.36Å; Y307-L574 HydrophobicContact CG-CD2 4.28Å; Y307-L574 HydrophobicContact CG-CG 4.22Å; S572-L574 PolarHBondContact O-N 3.5Å; L574-C578 HydrophobicContact CB-CB 4.45Å; L574-C578 HydrophobicContact CD1-CB 4.02Å; L574-C578 HydrophobicContact CD2-CB 4.46Å; L574-E579 HydrophobicContact CB-CB 4.1Å; L574-A582 HydrophobicContact CD1-CB 4.28Å
575Q69.9Low62.8Low124 Ų12489 Ų8958%0.57947%0.466SS*.  trans-62.7135.5161.4-171.9175.54.100109.8Q577 C578 E579Q575-Q577 PolarHBondContact O-N 2.91Å; Q575-C578 PolarHBondContact O-N 3.23Å; Q575-E579 PolarHBondContact O-N 2.68Å
576P74.2Confident65.9Low74 Ų7483.2 Ų83.248%0.48143%0.428SS..THydrogen-bonded Turntrans-62.2-1-173-28.335.9000117.3R580P576-R580 PolarHBondContact O-NH1 3.3Å; P576-R580 PolarHBondContact O-NH2 2.97Å
577Q73.6Confident69.2Low127 Ų12776.5 Ų76.559%0.59340%0.397SS*.THydrogen-bonded Turntrans-90.8-51.5170.5-69.1176.6-8.800110.1Q575 E579 R580 V581Q575-Q577 PolarHBondContact O-N 2.91Å; Q577-E579 VanDerWaalsContact C-N 3.25Å; Q577-E579 PolarHBondContact O-N 3.44Å; Q577-R580 PolarHBondContact O-N 3.39Å; Q577-V581 PolarHBondContact O-N 3.29Å; Q577-V581 VanDerWaalsContact O-N 3.16Å
578C82.8Confident72.2Confident44 Ų4471 Ų7130%0.29736%0.362SS..Hα-helixtrans-58.6-37.2173-54.60000112C305 L574 Q575 R580 V581 A582C305-C578 WeakPolarHBondContact O-CB 3.46Å; L574-C578 HydrophobicContact CB-CB 4.45Å; L574-C578 HydrophobicContact CD1-CB 4.02Å; L574-C578 HydrophobicContact CD2-CB 4.46Å; Q575-C578 PolarHBondContact O-N 3.23Å; C578-R580 PolarHBondContact O-N 2.89Å; C578-V581 PolarHBondContact O-N 2.94Å; C578-A582 WeakPolarHBondContact O-CB 3.37Å; C578-A582 PolarHBondContact O-N 3.26Å
579E87Confident75.3Confident27 Ų2762.2 Ų62.213%0.12632%0.323CS..Hα-helixtrans-57.5-45.7174.6-173.1-179-143.500112.4S572 L574 Q575 Q577 A582 I583 H662S572-E579 VanDerWaalsContact CB-OE1 3.24Å; S572-E579 WeakPolarHBondContact CB-OE1 3.49Å; S572-E579 PolarHBondContact OG-OE1 3.1Å; L574-E579 HydrophobicContact CB-CB 4.1Å; Q575-E579 PolarHBondContact O-N 2.68Å; Q577-E579 VanDerWaalsContact C-N 3.25Å; Q577-E579 PolarHBondContact O-N 3.44Å; E579-A582 PolarHBondContact O-N 3.32Å; E579-I583 WeakPolarHBondContact O-CG1 3.48Å; E579-I583 PolarHBondContact O-N 3.05Å; E579-H662 IonicContact OE1-CE1 2.97Å; E579-H662 PolarHBondContact OE1-CE1 3.48Å; E579-H662 IonicContact OE1-NE2 3.27Å
580R87.8Confident78.1Confident136 Ų13657.4 Ų57.451%0.51329%0.292SS..Hα-helixtrans-67.3-42.6176.2-75.4-167.3-65.1-74.7-6.2112.3P576 Q577 C578 A582 I583 E584P576-R580 PolarHBondContact O-NH1 3.3Å; P576-R580 PolarHBondContact O-NH2 2.97Å; Q577-R580 PolarHBondContact O-N 3.39Å; C578-R580 PolarHBondContact O-N 2.89Å; R580-A582 VanDerWaalsContact C-N 3.29Å; R580-A582 PolarHBondContact O-N 3.49Å; R580-I583 PolarHBondContact O-N 3.02Å; R580-E584 WeakPolarHBondContact O-CG 3.32Å; R580-E584 PolarHBondContact O-N 3.1Å
581V89Confident81Confident54 Ų5448.7 Ų48.733%0.32725%0.251SS..Hα-helixtrans-59.3-41.4175.5174.20000110.9I201 Q577 C578 E584 A585I201-V581 HydrophobicContact CG2-CG1 3.86Å; Q577-V581 PolarHBondContact O-N 3.29Å; Q577-V581 VanDerWaalsContact O-N 3.16Å; C578-V581 PolarHBondContact O-N 2.94Å; V581-E584 PolarHBondContact O-N 3.32Å; V581-A585 VanDerWaalsContact O-CB 3.22Å; V581-A585 WeakPolarHBondContact O-CB 3.46Å; V581-A585 PolarHBondContact O-N 2.88Å
582A90.8Very high83.1Confident2 Ų243.3 Ų43.32%0.01723%0.227CC..Hα-helixtrans-63.8-43.3174.800000112.4C305 L574 C578 E579 R580 L586 F658C305-A582 HydrophobicContact CB-CB 3.81Å; L574-A582 HydrophobicContact CD1-CB 4.28Å; C578-A582 WeakPolarHBondContact O-CB 3.37Å; C578-A582 PolarHBondContact O-N 3.26Å; E579-A582 PolarHBondContact O-N 3.32Å; R580-A582 VanDerWaalsContact C-N 3.29Å; R580-A582 PolarHBondContact O-N 3.49Å; A582-L586 VanDerWaalsContact O-CB 3.25Å; A582-L586 WeakPolarHBondContact O-CB 3.36Å; A582-L586 WeakPolarHBondContact O-CD1 3.31Å; A582-L586 VanDerWaalsContact O-CG 3.29Å; A582-L586 WeakPolarHBondContact O-CG 3.42Å; A582-L586 PolarHBondContact O-N 3.26Å; A582-F658 HydrophobicContact CB-CE1 4.11Å; A582-F658 HydrophobicContact CB-CZ 3.74Å
583I92.3Very high85.4Confident29 Ų2940.6 Ų40.615%0.14921%0.208CC..Hα-helixtrans-60.8-50.8176-67.5168.9000110.5E579 R580 Q587 F658 H662 V666E579-I583 WeakPolarHBondContact O-CG1 3.48Å; E579-I583 PolarHBondContact O-N 3.05Å; R580-I583 PolarHBondContact O-N 3.02Å; I583-Q587 VanDerWaalsContact O-CB 3.23Å; I583-Q587 WeakPolarHBondContact O-CB 3.46Å; I583-Q587 PolarHBondContact O-N 3.44Å; I583-F658 HydrophobicContact CG1-CE1 4.42Å; I583-F658 HydrophobicContact CG1-CZ 3.81Å; I583-H662 HydrophobicContact CD1-CB 4.38Å; I583-H662 HydrophobicContact CG1-CB 4.21Å; I583-V666 HydrophobicContact CB-CG2 4.38Å; I583-V666 HydrophobicContact CG1-CG2 4.27Å; I583-V666 HydrophobicContact CG2-CG2 4.13Å
584E91.5Very high87.1Confident74 Ų7437.2 Ų37.235%0.34619%0.188SC..Hα-helixtrans-64.7-44.2-178-70.2173.9-147.500111.7I201 R580 V581 Q587 L588I201-E584 HydrophobicContact CD1-CB 3.98Å; I201-E584 HydrophobicContact CG1-CB 4.45Å; I201-E584 HydrophobicContact CG2-CB 4.22Å; R580-E584 WeakPolarHBondContact O-CG 3.32Å; R580-E584 PolarHBondContact O-N 3.1Å; V581-E584 PolarHBondContact O-N 3.32Å; E584-Q587 PolarHBondContact O-N 2.87Å; E584-L588 PolarHBondContact O-N 2.95Å
585A92.3Very high88.6Confident0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-62.6-49.7177.100000111.8L198 I201 L202 V301 V581 Q587 L588 C589L198-A585 HydrophobicContact CD1-CB 4.27Å; I201-A585 HydrophobicContact CG2-CB 3.9Å; L202-A585 HydrophobicContact CD2-CB 3.9Å; V301-A585 HydrophobicContact CG1-CB 3.66Å; V581-A585 VanDerWaalsContact O-CB 3.22Å; V581-A585 WeakPolarHBondContact O-CB 3.46Å; V581-A585 PolarHBondContact O-N 2.88Å; A585-Q587 VanDerWaalsContact C-N 3.29Å; A585-Q587 PolarHBondContact O-N 2.97Å; A585-L588 PolarHBondContact O-N 3.28Å; A585-L588 VanDerWaalsContact O-N 3.15Å; A585-C589 PolarHBondContact O-N 3.25Å; A585-C589 PolarHBondContact O-SG 2.76Å
586L93.8Very high89.6Confident1 Ų132.3 Ų32.31%0.00517%0.17CC..Hα-helixtrans-68.8-28.3180-68.4167.5000112.2F298 V301 A582 L588 C589 T590 L655 F658 V666F298-L586 HydrophobicContact CD1-CD2 3.46Å; F298-L586 VanDerWaalsContact CD1-CD2 3.46Å; F298-L586 HydrophobicContact CE1-CD2 3.73Å; V301-L586 HydrophobicContact CB-CD2 4.34Å; V301-L586 HydrophobicContact CG1-CD2 3.85Å; V301-L586 HydrophobicContact CG1-CG 3.8Å; A582-L586 VanDerWaalsContact O-CB 3.25Å; A582-L586 WeakPolarHBondContact O-CB 3.36Å; A582-L586 WeakPolarHBondContact O-CD1 3.31Å; A582-L586 VanDerWaalsContact O-CG 3.29Å; A582-L586 WeakPolarHBondContact O-CG 3.42Å; A582-L586 PolarHBondContact O-N 3.26Å; L586-L588 VanDerWaalsContact C-N 3.31Å; L586-L588 PolarHBondContact O-N 3.32Å; L586-C589 PolarHBondContact O-N 3.38Å; L586-T590 WeakPolarHBondContact O-CB 3.46Å; L586-T590 VanDerWaalsContact O-CG2 3.23Å; L586-T590 WeakPolarHBondContact O-CG2 3.19Å; L586-T590 PolarHBondContact O-N 3.42Å; L586-T590 PolarHBondContact O-OG1 2.68Å; L586-L655 HydrophobicContact CD1-CD1 4.12Å; L586-L655 HydrophobicContact CD2-CD1 4.24Å; L586-F658 HydrophobicContact CD1-CD1 3.64Å; L586-F658 HydrophobicContact CD1-CE1 3.52Å; L586-V666 HydrophobicContact CB-CG1 3.63Å
587Q94.6Very high90.5Very high21 Ų2130 Ų3010%0.09816%0.155CC..Hα-helixtrans-61.7-39.8171.2-168.7-172.748.700111.5I583 E584 A585 T590 L591 S665 V666 S668I583-Q587 VanDerWaalsContact O-CB 3.23Å; I583-Q587 WeakPolarHBondContact O-CB 3.46Å; I583-Q587 PolarHBondContact O-N 3.44Å; E584-Q587 PolarHBondContact O-N 2.87Å; A585-Q587 VanDerWaalsContact C-N 3.29Å; A585-Q587 PolarHBondContact O-N 2.97Å; Q587-T590 PolarHBondContact O-OG1 2.86Å; Q587-T590 VanDerWaalsContact O-OG1 3.13Å; Q587-L591 WeakPolarHBondContact O-CD1 3.39Å; Q587-L591 WeakPolarHBondContact O-CG 3.39Å; Q587-S665 PolarHBondContact NE2-O 2.9Å; Q587-S665 VanDerWaalsContact NE2-O 3.1Å; Q587-V666 WeakPolarHBondContact CA-O 3.33Å; Q587-S668 PolarHBondContact NE2-OG 2.84Å
588L92.4Very high91.5Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-75-43.2173.9-58.5-173.8000112.8H197 L198 I201 E584 A585 L586 T590 L591 P670 L673H197-L588 HydrophobicContact CB-CD1 4.07Å; L198-L588 HydrophobicContact CB-CB 4.45Å; L198-L588 HydrophobicContact CB-CD1 3.88Å; L198-L588 HydrophobicContact CD1-CB 4.33Å; I201-L588 HydrophobicContact CD1-CD1 3.58Å; I201-L588 HydrophobicContact CD1-CG 4.34Å; E584-L588 PolarHBondContact O-N 2.95Å; A585-L588 PolarHBondContact O-N 3.28Å; A585-L588 VanDerWaalsContact O-N 3.15Å; L586-L588 VanDerWaalsContact C-N 3.31Å; L586-L588 PolarHBondContact O-N 3.32Å; L588-T590 VanDerWaalsContact C-N 3.25Å; L588-T590 PolarHBondContact O-N 3Å; L588-L591 HydrophobicContact CD2-CD1 4.11Å; L588-L591 WeakPolarHBondContact O-CB 3.41Å; L588-L591 PolarHBondContact O-N 3.49Å; L588-P670 HydrophobicContact CD2-CG 4.11Å; L588-L673 HydrophobicContact CD2-CD2 3.52Å
589C92.3Very high92Very high0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-58.6-39.5179.6-61.80000111.5L297 F298 A585 L586 L591 L592L297-C589 HydrophobicContact CD2-CB 3.93Å; L297-C589 HydrophobicContact CG-CB 4.34Å; F298-C589 HydrophobicContact CD1-CB 4.38Å; F298-C589 HydrophobicContact CE1-CB 3.66Å; F298-C589 HydrophobicContact CE2-CB 4.43Å; F298-C589 HydrophobicContact CZ-CB 3.68Å; A585-C589 PolarHBondContact O-N 3.25Å; A585-C589 PolarHBondContact O-SG 2.76Å; L586-C589 PolarHBondContact O-N 3.38Å; C589-L591 PolarHBondContact O-N 2.94Å; C589-L592 WeakPolarHBondContact O-CB 3.47Å; C589-L592 PolarHBondContact O-N 2.96Å
590T93.7Very high92.3Very high0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-70.5-12.2177.358.70000113.9F298 L586 Q587 L588 L593 R598 L601 V666 L667F298-T590 HydrophobicContact CE1-CG2 3.94Å; F298-T590 HydrophobicContact CZ-CG2 3.99Å; L586-T590 WeakPolarHBondContact O-CB 3.46Å; L586-T590 VanDerWaalsContact O-CG2 3.23Å; L586-T590 WeakPolarHBondContact O-CG2 3.19Å; L586-T590 PolarHBondContact O-N 3.42Å; L586-T590 PolarHBondContact O-OG1 2.68Å; Q587-T590 PolarHBondContact O-OG1 2.86Å; Q587-T590 VanDerWaalsContact O-OG1 3.13Å; L588-T590 VanDerWaalsContact C-N 3.25Å; L588-T590 PolarHBondContact O-N 3Å; T590-L593 HydrophobicContact CG2-CD1 4.09Å; T590-R598 VanDerWaalsContact CB-NH1 3.34Å; T590-R598 WeakPolarHBondContact O-CD 3.29Å; T590-R598 PolarHBondContact O-NH1 3.41Å; T590-R598 PolarHBondContact OG1-NH1 2.85Å; T590-L601 HydrophobicContact CG2-CD2 4.41Å; T590-V666 HydrophobicContact CG2-CG1 4.4Å; T590-V666 PolarHBondContact OG1-O 3.33Å; T590-L667 HydrophobicContact CG2-CD2 3.73Å
591L93.1Very high92.7Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-81.9-19.9174.4-66.5163000112.3I221 N224 M225 Q587 L588 C589 L593 P670I221-L591 WeakPolarHBondContact CA-O 3.16Å; N224-L591 HydrophobicContact CB-CD2 3.86Å; N224-L591 PolarHBondContact ND2-O 3.1Å; M225-L591 HydrophobicContact CE-CD1 3.88Å; M225-L591 HydrophobicContact CG-CD1 4.28Å; M225-L591 HydrophobicContact CG-CD2 3.84Å; M225-L591 HydrophobicContact SD-CD1 4.32Å; Q587-L591 WeakPolarHBondContact O-CD1 3.39Å; Q587-L591 WeakPolarHBondContact O-CG 3.39Å; L588-L591 HydrophobicContact CD2-CD1 4.11Å; L588-L591 WeakPolarHBondContact O-CB 3.41Å; L588-L591 PolarHBondContact O-N 3.49Å; C589-L591 PolarHBondContact O-N 2.94Å; L591-L593 VanDerWaalsContact C-N 3.33Å; L591-P670 HydrophobicContact CD1-CG 3.87Å
592L92Very high93Very high5 Ų514.7 Ų14.73%0.0268%0.079CC..Hα-helixtrans-72.4-28.2174.7-49.7172.8000112L195 L211 V216 N220 I221 L294 L297 C589L195-L592 HydrophobicContact CD2-CD2 4.46Å; L211-L592 HydrophobicContact CD2-CD1 3.87Å; V216-L592 HydrophobicContact CG1-CD2 3.82Å; N220-L592 WeakPolarHBondContact CB-O 3.46Å; N220-L592 PolarHBondContact ND2-O 3.2Å; I221-L592 HydrophobicContact CD1-CD2 3.84Å; I221-L592 HydrophobicContact CG1-CD2 4.11Å; L294-L592 HydrophobicContact CD1-CB 3.97Å; L294-L592 HydrophobicContact CD2-CD1 4.29Å; L297-L592 HydrophobicContact CD2-CD1 3.47Å; L297-L592 VanDerWaalsContact CD2-CD1 3.47Å; C589-L592 WeakPolarHBondContact O-CB 3.47Å; C589-L592 PolarHBondContact O-N 2.96Å
593L92.5Very high93.2Very high0 Ų016.5 Ų16.50%09%0.088CC..SBendtrans-55.8143.4-177.7-68.3171.7000112.8N224 L290 L294 F298 T590 L591 R598 L601N224-L593 PolarHBondContact ND2-O 3.41Å; L290-L593 HydrophobicContact CB-CD2 4.47Å; L290-L593 HydrophobicContact CD2-CD1 3.86Å; L290-L593 HydrophobicContact CD2-CD2 4.15Å; L290-L593 WeakPolarHBondContact O-CD2 3.4Å; L294-L593 HydrophobicContact CD1-CD2 3.92Å; L294-L593 HydrophobicContact CD1-CG 4.5Å; F298-L593 HydrophobicContact CE2-CD2 4.15Å; F298-L593 HydrophobicContact CZ-CD1 4.45Å; F298-L593 HydrophobicContact CZ-CD2 4.49Å; F298-L593 HydrophobicContact CZ-CG 4.49Å; T590-L593 HydrophobicContact CG2-CD1 4.09Å; L591-L593 VanDerWaalsContact C-N 3.33Å; L593-R598 HydrophobicContact CB-CB 4.11Å; L593-R598 HydrophobicContact CD1-CB 4.45Å; L593-L601 HydrophobicContact CD1-CD2 4.04Å
594P92.3Very high93.3Very high45 Ų4515.1 Ų15.129%0.2928%0.081SC..  trans-52134.8168-26.435.1000111.4T291 A596 S597 R598T291-P594 HydrophobicContact CG2-CG 4.09Å; P594-A596 VanDerWaalsContact C-N 3.25Å; P594-A596 PolarHBondContact O-N 3.15Å; P594-A596 VanDerWaalsContact O-N 3.12Å; P594-S597 WeakPolarHBondContact O-CA 3.28Å; P594-S597 PolarHBondContact O-N 3.22Å; P594-R598 PolarHBondContact O-N 3.48Å
595P92.3Very high93.5Very high23 Ų2311.6 Ų11.615%0.1497%0.065CC..Hα-helixtrans-51.3-39.6-175.9-34.337.9000115.1N220 H223 N224 V234 L236 R598 R599N220-P595 WeakPolarHBondContact OD1-CD 3.27Å; H223-P595 HydrophobicContact CB-CG 4.18Å; H223-P595 VanDerWaalsContact CD2-CB 3.46Å; H223-P595 WeakPolarHBondContact CD2-CB 3.31Å; H223-P595 VanDerWaalsContact CD2-CG 3.47Å; H223-P595 WeakPolarHBondContact CD2-CG 3.41Å; N224-P595 WeakPolarHBondContact OD1-CA 3.42Å; V234-P595 HydrophobicContact CG1-CB 4.07Å; L236-P595 VanDerWaalsContact CD2-C 3.48Å; L236-P595 HydrophobicContact CD2-CB 3.71Å; P595-R598 PolarHBondContact O-N 3.02Å; P595-R599 VanDerWaalsContact O-CB 3.31Å; P595-R599 WeakPolarHBondContact O-CB 3.39Å; P595-R599 PolarHBondContact O-N 2.88Å
596A91.8Very high93.6Very high17 Ų1714.8 Ų14.814%0.148%0.077CC..Hα-helixtrans-62-44.4176.500000112L236 N241 P594 R599 K600L236-A596 HydrophobicContact CD1-CB 4.09Å; L236-A596 HydrophobicContact CD2-CB 4.39Å; N241-A596 HydrophobicContact CB-CB 4.18Å; P594-A596 VanDerWaalsContact C-N 3.25Å; P594-A596 PolarHBondContact O-N 3.15Å; P594-A596 VanDerWaalsContact O-N 3.12Å; A596-R599 PolarHBondContact O-N 3.39Å; A596-K600 WeakPolarHBondContact O-CB 3.44Å; A596-K600 WeakPolarHBondContact O-CD 3.5Å; A596-K600 WeakPolarHBondContact O-CG 3.39Å; A596-K600 PolarHBondContact O-N 3.09Å
597S92.9Very high93.7Very high24 Ų2415 Ų1517%0.1688%0.078CC..Hα-helixtrans-69.1-43.2177.7-50.50000111.7L289 P594 R599 K600 L601L289-S597 WeakPolarHBondContact O-CB 3.33Å; P594-S597 WeakPolarHBondContact O-CA 3.28Å; P594-S597 PolarHBondContact O-N 3.22Å; S597-R599 VanDerWaalsContact C-N 3.34Å; S597-R599 PolarHBondContact O-N 3.31Å; S597-K600 PolarHBondContact O-N 3.16Å; S597-L601 WeakPolarHBondContact O-CB 3.38Å; S597-L601 PolarHBondContact O-N 3.37Å
598R93.9Very high93.6Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-59-43173.8-174.1-179.1167.895.70.5111.6N224 V234 T590 L593 P594 P595 L601 Q602 L667 S668N224-R598 WeakPolarHBondContact OD1-CD 3.42Å; V234-R598 HydrophobicContact CG2-CG 4.17Å; T590-R598 VanDerWaalsContact CB-NH1 3.34Å; T590-R598 WeakPolarHBondContact O-CD 3.29Å; T590-R598 PolarHBondContact O-NH1 3.41Å; T590-R598 PolarHBondContact OG1-NH1 2.85Å; L593-R598 HydrophobicContact CB-CB 4.11Å; L593-R598 HydrophobicContact CD1-CB 4.45Å; P594-R598 PolarHBondContact O-N 3.48Å; P595-R598 PolarHBondContact O-N 3.02Å; R598-L601 PolarHBondContact O-N 3.01Å; R598-Q602 WeakPolarHBondContact O-CB 3.35Å; R598-Q602 VanDerWaalsContact O-CG 3.31Å; R598-Q602 WeakPolarHBondContact O-CG 3.27Å; R598-Q602 PolarHBondContact O-N 3.18Å; R598-L667 PolarHBondContact NH2-O 3.47Å; R598-L667 VanDerWaalsContact NH2-O 3.11Å; R598-S668 PolarHBondContact NH2-O 3.41Å
599R93.6Very high93.8Very high41 Ų4114.1 Ų14.116%0.1557%0.074CC..Hα-helixtrans-64.9-44.9176.6-179.1178.1167.593.7-8.3112.2V233 V234 L236 D242 P595 A596 S597 Q602 L603V233-R599 HydrophobicContact CG1-CG 4.29Å; V234-R599 HydrophobicContact CB-CB 4.34Å; V234-R599 WeakPolarHBondContact O-CD 3.33Å; V234-R599 PolarHBondContact O-NH1 3.33Å; L236-R599 HydrophobicContact CD2-CB 4.48Å; D242-R599 WeakPolarHBondContact OD1-CD 3.46Å; D242-R599 IonicContact OD1-CZ 3.28Å; D242-R599 IonicContact OD1-NE 3.13Å; D242-R599 PolarHBondContact OD1-NE 3.48Å; D242-R599 IonicContact OD1-NH2 2.74Å; D242-R599 IonicContact OD2-CZ 2.71Å; D242-R599 VanDerWaalsContact OD2-CZ 3.28Å; D242-R599 IonicContact OD2-NE 3.95Å; D242-R599 PolarHBondContact OD2-NE 2.01Å; D242-R599 VanDerWaalsContact OD2-NE 3.13Å; D242-R599 IonicContact OD2-NH2 2.69Å; D242-R599 PolarHBondContact OD2-NH2 3.5Å; P595-R599 VanDerWaalsContact O-CB 3.31Å; P595-R599 WeakPolarHBondContact O-CB 3.39Å; P595-R599 PolarHBondContact O-N 2.88Å; A596-R599 PolarHBondContact O-N 3.39Å; S597-R599 VanDerWaalsContact C-N 3.34Å; S597-R599 PolarHBondContact O-N 3.31Å; R599-Q602 PolarHBondContact O-N 3.47Å; R599-L603 HydrophobicContact CG-CD1 4.12Å; R599-L603 WeakPolarHBondContact O-CG 3.4Å; R599-L603 PolarHBondContact O-N 2.91Å
600K94.3Very high93.8Very high27 Ų2721.8 Ų21.812%0.11710%0.103CC..Hα-helixtrans-59.3-45.9175.9-73.7168.4-173.2173.70110.9N241 L243 F282 L289 A596 S597 L603 L604N241-K600 WeakPolarHBondContact O-CE 3.03Å; N241-K600 PolarHBondContact O-NZ 3.37Å; L243-K600 HydrophobicContact CD2-CD 4.28Å; L243-K600 HydrophobicContact CD2-CG 3.77Å; L243-K600 HydrophobicContact CG-CG 3.92Å; F282-K600 HydrophobicContact CE1-CB 4.43Å; L289-K600 HydrophobicContact CD2-CB 3.63Å; L289-K600 HydrophobicContact CD2-CD 4.35Å; A596-K600 WeakPolarHBondContact O-CB 3.44Å; A596-K600 WeakPolarHBondContact O-CD 3.5Å; A596-K600 WeakPolarHBondContact O-CG 3.39Å; A596-K600 PolarHBondContact O-N 3.09Å; S597-K600 PolarHBondContact O-N 3.16Å; K600-L603 PolarHBondContact O-N 3.49Å; K600-L604 VanDerWaalsContact O-CB 3.29Å; K600-L604 WeakPolarHBondContact O-CB 3.26Å; K600-L604 PolarHBondContact O-N 3.19Å
601L95.4Very high93.7Very high0 Ų021.9 Ų21.90%010%0.103CC..Hα-helixtrans-61.7-45.5174-175.669.5000112.7L289 L290 T590 L593 S597 R598 L603 L604 M605 V638 L667L289-L601 HydrophobicContact CB-CB 4.5Å; L289-L601 HydrophobicContact CB-CD1 4.47Å; L289-L601 HydrophobicContact CD1-CB 4.47Å; L289-L601 HydrophobicContact CD1-CD1 4.41Å; L290-L601 HydrophobicContact CD2-CD2 3.65Å; T590-L601 HydrophobicContact CG2-CD2 4.41Å; L593-L601 HydrophobicContact CD1-CD2 4.04Å; S597-L601 WeakPolarHBondContact O-CB 3.38Å; S597-L601 PolarHBondContact O-N 3.37Å; R598-L601 PolarHBondContact O-N 3.01Å; L601-L603 VanDerWaalsContact C-N 3.34Å; L601-L603 PolarHBondContact O-N 3.44Å; L601-L604 PolarHBondContact O-N 3.02Å; L601-M605 HydrophobicContact CD1-CE 4.44Å; L601-M605 HydrophobicContact CD1-CG 3.89Å; L601-M605 HydrophobicContact CG-CG 4.2Å; L601-M605 WeakPolarHBondContact O-CB 3.29Å; L601-M605 WeakPolarHBondContact O-CG 3.25Å; L601-M605 PolarHBondContact O-N 2.8Å; L601-V638 HydrophobicContact CD1-CG1 3.97Å; L601-V638 HydrophobicContact CD1-CG2 4.02Å; L601-L667 HydrophobicContact CD2-CD2 3.96Å; L601-L667 HydrophobicContact CG-CD1 4.36Å
602Q94.8Very high93.6Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-57.5-43.9176.7-83.9179.1-24.200112.5G232 V233 R598 R599 R606 L667G232-Q602 PolarHBondContact O-NE2 3.34Å; V233-Q602 VanDerWaalsContact CA-OE1 3.31Å; R598-Q602 WeakPolarHBondContact O-CB 3.35Å; R598-Q602 VanDerWaalsContact O-CG 3.31Å; R598-Q602 WeakPolarHBondContact O-CG 3.27Å; R598-Q602 PolarHBondContact O-N 3.18Å; R599-Q602 PolarHBondContact O-N 3.47Å; Q602-R606 VanDerWaalsContact O-CB 3.29Å; Q602-R606 WeakPolarHBondContact O-CB 3.46Å; Q602-R606 VanDerWaalsContact O-CD 3.3Å; Q602-R606 WeakPolarHBondContact O-CD 3.19Å; Q602-R606 WeakPolarHBondContact O-CG 3.27Å; Q602-R606 PolarHBondContact O-N 2.73Å; Q602-L667 HydrophobicContact CG-CB 3.88Å; Q602-L667 HydrophobicContact CG-CD1 4.19Å; Q602-L667 PolarHBondContact NE2-O 3.27Å
603L94.6Very high93.5Very high39 Ų3928.9 Ų28.920%0.20414%0.139CC..Hα-helixtrans-72.6-41.4179.2-66.2171.5000111.3V233 L243 L248 M251 R599 K600 L601 R606 M607V233-L603 HydrophobicContact CG1-CD2 4.32Å; L243-L603 HydrophobicContact CD1-CB 4.23Å; L243-L603 HydrophobicContact CD1-CD1 3.77Å; L248-L603 HydrophobicContact CD2-CD1 3.86Å; M251-L603 HydrophobicContact CE-CB 4.18Å; R599-L603 HydrophobicContact CG-CD1 4.12Å; R599-L603 WeakPolarHBondContact O-CG 3.4Å; R599-L603 PolarHBondContact O-N 2.91Å; K600-L603 PolarHBondContact O-N 3.49Å; L601-L603 VanDerWaalsContact C-N 3.34Å; L601-L603 PolarHBondContact O-N 3.44Å; L603-R606 PolarHBondContact O-N 3.38Å; L603-M607 WeakPolarHBondContact O-CB 3.22Å; L603-M607 PolarHBondContact O-N 2.82Å
604L95.9Very high93.4Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-63.4-51.2178-177.561000112.3M251 F282 L289 K600 L601 R606 M607 A608 F634 V638M251-L604 HydrophobicContact CE-CB 4.3Å; M251-L604 HydrophobicContact CE-CD1 4.34Å; F282-L604 HydrophobicContact CD1-CD2 4.11Å; F282-L604 HydrophobicContact CD2-CD1 4.07Å; F282-L604 HydrophobicContact CE1-CB 4.34Å; F282-L604 HydrophobicContact CE1-CD2 4.1Å; F282-L604 HydrophobicContact CE2-CD1 3.84Å; F282-L604 HydrophobicContact CG-CD2 4.43Å; F282-L604 HydrophobicContact CZ-CB 4.09Å; F282-L604 HydrophobicContact CZ-CD1 4.12Å; F282-L604 HydrophobicContact CZ-CD2 4.41Å; F282-L604 HydrophobicContact CZ-CG 4.43Å; L289-L604 HydrophobicContact CD1-CD2 3.6Å; K600-L604 VanDerWaalsContact O-CB 3.29Å; K600-L604 WeakPolarHBondContact O-CB 3.26Å; K600-L604 PolarHBondContact O-N 3.19Å; L601-L604 PolarHBondContact O-N 3.02Å; L604-R606 VanDerWaalsContact C-N 3.31Å; L604-R606 PolarHBondContact O-N 2.64Å; L604-M607 HydrophobicContact CD1-CE 3.93Å; L604-M607 PolarHBondContact O-N 2.9Å; L604-A608 WeakPolarHBondContact O-CB 3.46Å; L604-A608 PolarHBondContact O-N 3.4Å; L604-F634 HydrophobicContact CD1-CD1 3.78Å; L604-F634 HydrophobicContact CD1-CD2 3.98Å; L604-F634 HydrophobicContact CD1-CE1 3.73Å; L604-F634 HydrophobicContact CD1-CE2 3.94Å; L604-F634 HydrophobicContact CD1-CG 3.92Å; L604-F634 HydrophobicContact CD1-CZ 3.82Å; L604-F634 HydrophobicContact CD2-CB 4.22Å; L604-F634 HydrophobicContact CD2-CD1 4.08Å; L604-F634 HydrophobicContact CD2-CG 4.17Å; L604-F634 HydrophobicContact CG-CD1 4.47Å; L604-F634 HydrophobicContact CG-CG 4.38Å; L604-V638 HydrophobicContact CD2-CG2 3.99Å
605M95.9Very high93Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-64.8-35179.5-66.6-62.8101.200112L601 S609 V638 V656 L659 M660 Q663 L667L601-M605 HydrophobicContact CD1-CE 4.44Å; L601-M605 HydrophobicContact CD1-CG 3.89Å; L601-M605 HydrophobicContact CG-CG 4.2Å; L601-M605 WeakPolarHBondContact O-CB 3.29Å; L601-M605 WeakPolarHBondContact O-CG 3.25Å; L601-M605 PolarHBondContact O-N 2.8Å; M605-S609 WeakPolarHBondContact O-CB 3.07Å; M605-S609 PolarHBondContact O-N 3.19Å; M605-V638 HydrophobicContact CE-CG2 3.96Å; M605-V656 HydrophobicContact CE-CG1 4.22Å; M605-L659 HydrophobicContact CG-CB 4.22Å; M605-L659 HydrophobicContact SD-CB 3.6Å; M605-L659 VanDerWaalsContact SD-CB 3.6Å; M605-M660 HydrophobicContact SD-CG 4.07Å; M605-Q663 HydrophobicContact CB-CB 4.02Å; M605-Q663 HydrophobicContact CB-CG 4.49Å; M605-L667 HydrophobicContact CB-CD1 3.9Å; M605-L667 HydrophobicContact CG-CD1 4.03Å
606R94.5Very high92.7Very high67 Ų6738.9 Ų38.925%0.25319%0.194SC..Hα-helixtrans-67.5-43.4173.8-75.9172.7-178.7-152.83112.4H231 Q602 L603 L604 R610H231-R606 VanDerWaalsContact O-CZ 3.3Å; H231-R606 PolarHBondContact O-NH1 3.15Å; H231-R606 PolarHBondContact O-NH2 2.74Å; Q602-R606 VanDerWaalsContact O-CB 3.29Å; Q602-R606 WeakPolarHBondContact O-CB 3.46Å; Q602-R606 VanDerWaalsContact O-CD 3.3Å; Q602-R606 WeakPolarHBondContact O-CD 3.19Å; Q602-R606 WeakPolarHBondContact O-CG 3.27Å; Q602-R606 PolarHBondContact O-N 2.73Å; L603-R606 PolarHBondContact O-N 3.38Å; L604-R606 VanDerWaalsContact C-N 3.31Å; L604-R606 PolarHBondContact O-N 2.64Å; R606-R610 WeakPolarHBondContact O-CB 3.45Å; R606-R610 WeakPolarHBondContact O-CG 3.47Å; R606-R610 PolarHBondContact O-N 2.94Å
607M94.4Very high92.5Very high6 Ų639 Ų393%0.0319%0.191CC..Hα-helixtrans-61.2-50.8174.7-176-158.27400110.7M251 L254 A255 V278 L603 L604 R610 I611 M630 F634M251-M607 HydrophobicContact CB-CG 4.24Å; M251-M607 HydrophobicContact CB-SD 3.67Å; M251-M607 HydrophobicContact CE-CB 3.92Å; M251-M607 HydrophobicContact CE-CE 4.43Å; M251-M607 HydrophobicContact CE-CG 4.38Å; M251-M607 HydrophobicContact CE-SD 3.76Å; M251-M607 HydrophobicContact CG-SD 3.55Å; M251-M607 VanDerWaalsContact CG-SD 3.55Å; L254-M607 HydrophobicContact CD1-SD 4.36Å; A255-M607 HydrophobicContact CB-CG 4.18Å; V278-M607 HydrophobicContact CG1-CE 4.17Å; V278-M607 HydrophobicContact CG1-SD 4.18Å; L603-M607 WeakPolarHBondContact O-CB 3.22Å; L603-M607 PolarHBondContact O-N 2.82Å; L604-M607 HydrophobicContact CD1-CE 3.93Å; L604-M607 PolarHBondContact O-N 2.9Å; M607-R610 PolarHBondContact O-N 2.99Å; M607-I611 HydrophobicContact CE-CD1 4.12Å; M607-I611 HydrophobicContact CG-CD1 3.57Å; M607-I611 HydrophobicContact CG-CG1 4.44Å; M607-I611 WeakPolarHBondContact O-CB 3.38Å; M607-I611 VanDerWaalsContact O-CG1 3.29Å; M607-I611 WeakPolarHBondContact O-CG1 3.33Å; M607-I611 PolarHBondContact O-N 3.48Å; M607-I611 HydrophobicContact SD-CD1 4.12Å; M607-M630 HydrophobicContact CE-CE 3.96Å; M607-F634 HydrophobicContact CE-CE2 3.87Å; M607-F634 HydrophobicContact CE-CZ 3.9Å
608A94.1Very high92.1Very high0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-61.6-46.7-179.600000112.5L604 R610 I611 S612 M630 M660L604-A608 WeakPolarHBondContact O-CB 3.46Å; L604-A608 PolarHBondContact O-N 3.4Å; A608-R610 PolarHBondContact O-N 3.22Å; A608-I611 PolarHBondContact O-N 3.26Å; A608-S612 VanDerWaalsContact O-CB 3.29Å; A608-S612 WeakPolarHBondContact O-CB 3.25Å; A608-S612 PolarHBondContact O-N 2.69Å; A608-S612 PolarHBondContact O-OG 3.4Å; A608-M630 HydrophobicContact CB-CB 4.21Å; A608-M630 HydrophobicContact CB-CE 4.07Å; A608-M630 HydrophobicContact CB-CG 4.48Å; A608-M660 HydrophobicContact CB-CE 4.09Å; A608-M660 HydrophobicContact CB-CG 4Å; A608-M660 HydrophobicContact CB-SD 3.86Å
609S94.5Very high91.7Very high3 Ų348.2 Ų48.22%0.02123%0.228CC..Hα-helixtrans-57.1-49.1175.1-168.40000110.7M605 S612 Q613 M660 Q663M605-S609 WeakPolarHBondContact O-CB 3.07Å; M605-S609 PolarHBondContact O-N 3.19Å; S609-S612 PolarHBondContact O-N 3.12Å; S609-S612 PolarHBondContact O-OG 2.75Å; S609-Q613 VanDerWaalsContact O-CG 3.27Å; S609-Q613 WeakPolarHBondContact O-CG 3.32Å; S609-Q613 PolarHBondContact O-N 2.92Å; S609-Q613 PolarHBondContact OG-NE2 3.2Å; S609-M660 WeakPolarHBondContact CB-O 3.47Å; S609-M660 PolarHBondContact OG-O 2.88Å; S609-Q663 PolarHBondContact OG-NE2 2.93Å
610R92.6Very high91.5Very high161 Ų16146.8 Ų46.861%0.60822%0.223SC*.Hα-helixtrans-60.7-50177.3-75.6-73.8-179.6150.2-1.9113.6A255 R606 M607 A608 S612 Q613 N614A255-R610 HydrophobicContact CB-CB 4.34Å; R606-R610 WeakPolarHBondContact O-CB 3.45Å; R606-R610 WeakPolarHBondContact O-CG 3.47Å; R606-R610 PolarHBondContact O-N 2.94Å; M607-R610 PolarHBondContact O-N 2.99Å; A608-R610 PolarHBondContact O-N 3.22Å; R610-S612 VanDerWaalsContact C-N 3.3Å; R610-S612 PolarHBondContact O-N 2.74Å; R610-Q613 PolarHBondContact O-N 2.75Å; R610-N614 WeakPolarHBondContact O-CB 3.5Å; R610-N614 PolarHBondContact O-N 2.91Å; R610-N614 VanDerWaalsContact O-N 3.13Å
611I92.2Very high91.2Very high1 Ų148.7 Ų48.71%0.00523%0.233CC..Hα-helixtrans-61.2-40.8179.1-68.7165.6000110.6L254 M607 A608 Q613 N614 M617 L620 T626 M630L254-I611 HydrophobicContact CB-CD1 3.53Å; L254-I611 HydrophobicContact CB-CG1 4.14Å; L254-I611 HydrophobicContact CD1-CD1 4.3Å; M607-I611 HydrophobicContact CE-CD1 4.12Å; M607-I611 HydrophobicContact CG-CD1 3.57Å; M607-I611 HydrophobicContact CG-CG1 4.44Å; M607-I611 WeakPolarHBondContact O-CB 3.38Å; M607-I611 VanDerWaalsContact O-CG1 3.29Å; M607-I611 WeakPolarHBondContact O-CG1 3.33Å; M607-I611 PolarHBondContact O-N 3.48Å; M607-I611 HydrophobicContact SD-CD1 4.12Å; A608-I611 PolarHBondContact O-N 3.26Å; I611-Q613 PolarHBondContact O-N 3.5Å; I611-N614 PolarHBondContact O-N 3.42Å; I611-M617 HydrophobicContact CG2-CE 4.48Å; I611-M617 HydrophobicContact CG2-CG 4.19Å; I611-M617 HydrophobicContact CG2-SD 4.49Å; I611-L620 HydrophobicContact CG2-CD1 4.28Å; I611-T626 HydrophobicContact CG2-CG2 3.7Å; I611-M630 HydrophobicContact CB-CE 4.02Å; I611-M630 HydrophobicContact CD1-CE 3.6Å; I611-M630 HydrophobicContact CG1-CE 4.43Å; I611-M630 HydrophobicContact CG2-CE 3.97Å; I611-M630 HydrophobicContact CG2-SD 3.95Å
612S91.7Very high90.7Very high30 Ų3053.4 Ų53.421%0.2126%0.263CS..Hα-helixtrans-69.1-18.5179.175.10000114.7A608 S609 R610A608-S612 VanDerWaalsContact O-CB 3.29Å; A608-S612 WeakPolarHBondContact O-CB 3.25Å; A608-S612 PolarHBondContact O-N 2.69Å; A608-S612 PolarHBondContact O-OG 3.4Å; S609-S612 PolarHBondContact O-N 3.12Å; S609-S612 PolarHBondContact O-OG 2.75Å; R610-S612 VanDerWaalsContact C-N 3.3Å; R610-S612 PolarHBondContact O-N 2.74Å
613Q90.3Very high90.3Very high122 Ų12257.7 Ų57.757%0.5730%0.299SS*.Hα-helixtrans-102.2-5.3179.2-68.81687.400112.9S609 R610 I611S609-Q613 VanDerWaalsContact O-CG 3.27Å; S609-Q613 WeakPolarHBondContact O-CG 3.32Å; S609-Q613 PolarHBondContact O-N 2.92Å; S609-Q613 PolarHBondContact OG-NE2 3.2Å; R610-Q613 PolarHBondContact O-N 2.75Å; I611-Q613 PolarHBondContact O-N 3.5Å
614N88.8Confident90.1Very high40 Ų4059.2 Ų59.221%0.21431%0.306CS..  trans-87.5114.5-174.5-172.44.5000111.5W257 R610 I611 D616 M617W257-N614 PolarHBondContact O-ND2 3.47Å; R610-N614 WeakPolarHBondContact O-CB 3.5Å; R610-N614 PolarHBondContact O-N 2.91Å; R610-N614 VanDerWaalsContact O-N 3.13Å; I611-N614 PolarHBondContact O-N 3.42Å; N614-D616 VanDerWaalsContact C-N 3.34Å; N614-D616 PolarHBondContact OD1-N 3.44Å; N614-D616 VanDerWaalsContact OD1-N 3.07Å; N614-M617 HydrophobicContact CB-CB 4.03Å; N614-M617 WeakPolarHBondContact O-CB 3.45Å; N614-M617 PolarHBondContact O-N 3.31Å
615V85.4Confident89.9Confident139 Ų13961.6 Ų61.684%0.84233%0.331SS*.THydrogen-bonded Turntrans-72-28.6179.2-176.20000112M617V615-M617 PolarHBondContact O-N 2.87Å
616D85.3Confident89.7Confident99 Ų9963 Ų6353%0.52934%0.34SS..THydrogen-bonded Turntrans-81.6-0.4-179.9-59.7-26.4000112.6W257 P258 N614W257-D616 VanDerWaalsContact CD1-O 3.25Å; W257-D616 PolarHBondContact NE1-O 3.28Å; P258-D616 HydrophobicContact CG-CB 4.44Å; N614-D616 VanDerWaalsContact C-N 3.34Å; N614-D616 PolarHBondContact OD1-N 3.44Å; N614-D616 VanDerWaalsContact OD1-N 3.07Å
617M86.9Confident89.6Confident19 Ų1963 Ų639%0.09434%0.34CS..  trans-79.9125.7-175.6-16871.3-165.500111.9L254 W257 E271 I611 N614 V615 L620L254-M617 HydrophobicContact CD2-CE 4Å; W257-M617 HydrophobicContact CB-SD 3.71Å; W257-M617 HydrophobicContact CD2-SD 4.44Å; W257-M617 HydrophobicContact CG-SD 3.77Å; E271-M617 HydrophobicContact CB-CE 4.1Å; E271-M617 HydrophobicContact CG-CE 4.43Å; I611-M617 HydrophobicContact CG2-CE 4.48Å; I611-M617 HydrophobicContact CG2-CG 4.19Å; I611-M617 HydrophobicContact CG2-SD 4.49Å; N614-M617 HydrophobicContact CB-CB 4.03Å; N614-M617 WeakPolarHBondContact O-CB 3.45Å; N614-M617 PolarHBondContact O-N 3.31Å; V615-M617 PolarHBondContact O-N 2.87Å; M617-L620 HydrophobicContact CE-CD1 4.42Å; M617-L620 HydrophobicContact CE-CD2 3.68Å; M617-L620 HydrophobicContact CE-CG 4.17Å
618P85.6Confident89.5Confident42 Ų4266.2 Ų66.227%0.27336%0.36SS..  trans-62.7159.8174.7-20.431.2000112.4W257 E271 L620W257-P618 HydrophobicContact CZ2-CG 4.02Å; W257-P618 VanDerWaalsContact NE1-CD 3.3Å; E271-P618 HydrophobicContact CG-CB 3.96Å; E271-P618 HydrophobicContact CG-CG 4Å; P618-L620 PolarHBondContact O-N 2.79Å
619R85.8Confident89.5Confident176 Ų17667.2 Ų67.266%0.66437%0.365SS*.  trans-67.6106172.7-71.2-168.8-179.2-163.12.2110.2R272 H621R272-R619 PolarHBondContact NE-O 3.13Å; R272-R619 VanDerWaalsContact NE-O 3.08Å; R272-R619 PolarHBondContact NH2-O 3.06Å; R619-H621 PolarHBondContact O-N 2.86Å
620L87.9Confident89.5Confident11 Ų1167.1 Ų67.16%0.05836%0.364CS..SBendtrans-60-33173.8-68.2-179000112.6E271 R272 F275 I611 M617 P618 T626 L629 M630E271-L620 HydrophobicContact CB-CD2 4.32Å; E271-L620 HydrophobicContact CG-CD2 3.91Å; E271-L620 WeakPolarHBondContact O-CD2 3.22Å; R272-L620 WeakPolarHBondContact CD-O 3.44Å; F275-L620 HydrophobicContact CB-CD1 4.31Å; F275-L620 HydrophobicContact CB-CD2 4Å; F275-L620 HydrophobicContact CD1-CD1 4.23Å; F275-L620 HydrophobicContact CD2-CD1 3.79Å; F275-L620 HydrophobicContact CE2-CD1 4.13Å; F275-L620 HydrophobicContact CG-CD1 3.83Å; F275-L620 HydrophobicContact CG-CD2 4.35Å; F275-L620 HydrophobicContact CZ-CD1 4.49Å; I611-L620 HydrophobicContact CG2-CD1 4.28Å; M617-L620 HydrophobicContact CE-CD1 4.42Å; M617-L620 HydrophobicContact CE-CD2 3.68Å; M617-L620 HydrophobicContact CE-CG 4.17Å; P618-L620 PolarHBondContact O-N 2.79Å; L620-T626 HydrophobicContact CD1-CG2 4.03Å; L620-T626 HydrophobicContact CG-CG2 4.4Å; L620-L629 HydrophobicContact CB-CD2 3.42Å; L620-L629 VanDerWaalsContact CB-CD2 3.42Å; L620-L629 HydrophobicContact CD1-CD2 4.12Å; L620-L629 HydrophobicContact CG-CD2 4.43Å; L620-M630 HydrophobicContact CD1-SD 4.16Å
621H88.3Confident89.6Confident68 Ų6860 Ų6032%0.31534%0.339SS..SBendtrans-130140.9176.2-168.4-101.9000110.5R619 A623 I624 L629R619-H621 PolarHBondContact O-N 2.86Å; H621-A623 PolarHBondContact ND1-N 3.06Å; H621-A623 PolarHBondContact O-N 3.47Å; H621-I624 HydrophobicContact CB-CB 4.19Å; H621-I624 WeakPolarHBondContact ND1-CB 3.39Å; H621-I624 VanDerWaalsContact ND1-CG1 3.35Å; H621-I624 WeakPolarHBondContact ND1-CG1 3.4Å; H621-I624 PolarHBondContact ND1-N 2.87Å; H621-L629 HydrophobicContact CB-CD1 4.15Å; H621-L629 HydrophobicContact CB-CD2 3.98Å
622P84.9Confident89.6Confident99 Ų9964.2 Ų64.264%0.64336%0.358SS*.SBendtrans-64.3-39.2-176.622.9-34000113.5
623A87.8Confident89.6Confident90 Ų9063.7 Ų63.774%0.74435%0.354SS*.SBendtrans-108.8-7.8-170.800000115.2H621H621-A623 PolarHBondContact ND1-N 3.06Å; H621-A623 PolarHBondContact O-N 3.47Å
624I90.2Very high89.8Confident71 Ų7158 Ų5836%0.36433%0.327SS..SBendtrans-120.9131.4-175-61.4170000108.4H621 T628 L629H621-I624 HydrophobicContact CB-CB 4.19Å; H621-I624 WeakPolarHBondContact ND1-CB 3.39Å; H621-I624 VanDerWaalsContact ND1-CG1 3.35Å; H621-I624 WeakPolarHBondContact ND1-CG1 3.4Å; H621-I624 PolarHBondContact ND1-N 2.87Å; I624-T628 HydrophobicContact CG2-CG2 3.92Å; I624-L629 HydrophobicContact CG2-CB 4.11Å
625G90.3Very high90Very high50 Ų5056.4 Ų56.452%0.51532%0.319SS..  trans-66.6141.5177.700000111.8R627 T628 L629G625-R627 VanDerWaalsContact C-N 3.3Å; G625-R627 PolarHBondContact O-N 3.1Å; G625-R627 VanDerWaalsContact O-N 3.13Å; G625-T628 WeakPolarHBondContact O-CB 3.44Å; G625-T628 PolarHBondContact O-N 3.49Å; G625-L629 PolarHBondContact O-N 2.85Å
626T91.6Very high90.1Very high30 Ų3050.8 Ų50.818%0.18429%0.289CS..Hα-helixtrans-49.3-45.5-171.6-48.10000113.1I611 L620 L629 M630I611-T626 HydrophobicContact CG2-CG2 3.7Å; L620-T626 HydrophobicContact CD1-CG2 4.03Å; L620-T626 HydrophobicContact CG-CG2 4.4Å; T626-L629 WeakPolarHBondContact O-CB 3.13Å; T626-L629 PolarHBondContact O-N 2.93Å; T626-M630 VanDerWaalsContact O-CG 3.28Å; T626-M630 WeakPolarHBondContact O-CG 3.37Å; T626-M630 PolarHBondContact O-N 3.07Å
627R92.9Very high90.3Very high66 Ų6646.5 Ų46.525%0.24927%0.267CS..Hα-helixtrans-58.8-49.6176.3-177.6-173.1168.296.42.2112.8G625 L629 M630 V631 S657 M660 D661G625-R627 VanDerWaalsContact C-N 3.3Å; G625-R627 PolarHBondContact O-N 3.1Å; G625-R627 VanDerWaalsContact O-N 3.13Å; R627-L629 VanDerWaalsContact C-N 3.27Å; R627-L629 PolarHBondContact O-N 3.46Å; R627-M630 PolarHBondContact O-N 3.47Å; R627-V631 WeakPolarHBondContact O-CG2 3.36Å; R627-V631 PolarHBondContact O-N 3.1Å; R627-V631 VanDerWaalsContact O-N 3.09Å; R627-S657 PolarHBondContact NH2-OG 3Å; R627-M660 HydrophobicContact CG-CE 4.33Å; R627-D661 IonicContact CZ-OD1 3.72Å; R627-D661 VanDerWaalsContact CZ-OD1 3.29Å; R627-D661 IonicContact CZ-OD2 2.74Å; R627-D661 IonicContact NH1-OD1 3.62Å; R627-D661 PolarHBondContact NH1-OD1 3.49Å; R627-D661 IonicContact NH1-OD2 2.68Å; R627-D661 IonicContact NH2-OD1 3.61Å; R627-D661 PolarHBondContact NH2-OD1 3.16Å; R627-D661 IonicContact NH2-OD2 3.01Å; R627-D661 PolarHBondContact NH2-OD2 2.89Å
628T92.9Very high90.5Very high74 Ų7445.6 Ų45.645%0.45426%0.262SS..Hα-helixtrans-61.2-38.9178.9-52.60000111I624 G625 V631 H632I624-T628 HydrophobicContact CG2-CG2 3.92Å; G625-T628 WeakPolarHBondContact O-CB 3.44Å; G625-T628 PolarHBondContact O-N 3.49Å; T628-V631 PolarHBondContact O-N 3.14Å; T628-H632 PolarHBondContact O-CD2 2.8Å; T628-H632 PolarHBondContact O-N 3.16Å
629L93.8Very high90.7Very high21 Ų2143.7 Ų43.711%0.1125%0.25CC..Hα-helixtrans-59.9-50.2173.3-17271.3000111F275 L620 H621 I624 G625 T626 R627 V631 H632 T633F275-L629 HydrophobicContact CD1-CD2 4.3Å; F275-L629 HydrophobicContact CE1-CD2 3.61Å; F275-L629 HydrophobicContact CE1-CG 3.95Å; F275-L629 HydrophobicContact CZ-CD2 3.92Å; F275-L629 HydrophobicContact CZ-CG 3.96Å; L620-L629 HydrophobicContact CB-CD2 3.42Å; L620-L629 VanDerWaalsContact CB-CD2 3.42Å; L620-L629 HydrophobicContact CD1-CD2 4.12Å; L620-L629 HydrophobicContact CG-CD2 4.43Å; H621-L629 HydrophobicContact CB-CD1 4.15Å; H621-L629 HydrophobicContact CB-CD2 3.98Å; I624-L629 HydrophobicContact CG2-CB 4.11Å; G625-L629 PolarHBondContact O-N 2.85Å; T626-L629 WeakPolarHBondContact O-CB 3.13Å; T626-L629 PolarHBondContact O-N 2.93Å; R627-L629 VanDerWaalsContact C-N 3.27Å; R627-L629 PolarHBondContact O-N 3.46Å; L629-V631 VanDerWaalsContact C-N 3.26Å; L629-V631 PolarHBondContact O-N 2.97Å; L629-H632 PolarHBondContact O-N 3.24Å; L629-T633 VanDerWaalsContact O-CB 3.25Å; L629-T633 WeakPolarHBondContact O-CB 3.16Å; L629-T633 PolarHBondContact O-N 3.27Å; L629-T633 PolarHBondContact O-OG1 2.96Å
630M94.5Very high90.6Very high0 Ų037.3 Ų37.30%023%0.232CC..Hα-helixtrans-56.4-41.2177.4-51.5-44.6-8500112.3F275 M607 A608 I611 L620 T626 R627 F634 M660F275-M630 HydrophobicContact CD2-CE 4.31Å; F275-M630 HydrophobicContact CD2-SD 4.34Å; F275-M630 HydrophobicContact CE2-CE 3.75Å; F275-M630 HydrophobicContact CE2-SD 3.56Å; F275-M630 VanDerWaalsContact CE2-SD 3.56Å; F275-M630 HydrophobicContact CZ-SD 4.15Å; M607-M630 HydrophobicContact CE-CE 3.96Å; A608-M630 HydrophobicContact CB-CB 4.21Å; A608-M630 HydrophobicContact CB-CE 4.07Å; A608-M630 HydrophobicContact CB-CG 4.48Å; I611-M630 HydrophobicContact CB-CE 4.02Å; I611-M630 HydrophobicContact CD1-CE 3.6Å; I611-M630 HydrophobicContact CG1-CE 4.43Å; I611-M630 HydrophobicContact CG2-CE 3.97Å; I611-M630 HydrophobicContact CG2-SD 3.95Å; L620-M630 HydrophobicContact CD1-SD 4.16Å; T626-M630 VanDerWaalsContact O-CG 3.28Å; T626-M630 WeakPolarHBondContact O-CG 3.37Å; T626-M630 PolarHBondContact O-N 3.07Å; R627-M630 PolarHBondContact O-N 3.47Å; M630-F634 HydrophobicContact CE-CE2 3.81Å; M630-F634 VanDerWaalsContact O-CD2 3.3Å; M630-F634 WeakPolarHBondContact O-CD2 3.23Å; M630-F634 PolarHBondContact O-N 3.13Å; M630-M660 HydrophobicContact CB-CE 3.87Å; M630-M660 HydrophobicContact CB-SD 3.91Å; M630-M660 HydrophobicContact CG-CE 4.31Å
631V94.3Very high90.2Very high12 Ų1238.5 Ų38.57%0.07324%0.241CC..Hα-helixtrans-68.3-43.8-177.8172.80000112.2R627 T628 L629 S635 T653 V656 M660R627-V631 WeakPolarHBondContact O-CG2 3.36Å; R627-V631 PolarHBondContact O-N 3.1Å; R627-V631 VanDerWaalsContact O-N 3.09Å; T628-V631 PolarHBondContact O-N 3.14Å; L629-V631 VanDerWaalsContact C-N 3.26Å; L629-V631 PolarHBondContact O-N 2.97Å; V631-S635 WeakPolarHBondContact O-CB 3.44Å; V631-S635 PolarHBondContact O-N 2.96Å; V631-S635 VanDerWaalsContact O-N 3.16Å; V631-T653 HydrophobicContact CG1-CG2 4.16Å; V631-T653 WeakPolarHBondContact CG1-O 3.32Å; V631-V656 HydrophobicContact CG2-CG1 4.49Å; V631-M660 HydrophobicContact CG2-CE 4.45Å; V631-M660 HydrophobicContact CG2-SD 3.71Å
632H91.9Very high89.4Confident90 Ų9039.1 Ų39.142%0.41726%0.258SS..Hα-helixtrans-78.9-32.1178.3-77.4-93.4000113.4T628 L629 F634 S635 E649T628-H632 PolarHBondContact O-CD2 2.8Å; T628-H632 PolarHBondContact O-N 3.16Å; L629-H632 PolarHBondContact O-N 3.24Å; H632-F634 VanDerWaalsContact C-N 3.31Å; H632-F634 PolarHBondContact O-N 2.92Å; H632-S635 PolarHBondContact O-OG 3.2Å; H632-S635 VanDerWaalsContact O-OG 3.07Å; H632-E649 IonicContact CE1-OE1 3.42Å; H632-E649 IonicContact ND1-OE1 3.15Å; H632-E649 PolarHBondContact ND1-OE1 2.92Å
633T92.6Very high88.7Confident19 Ų1941.7 Ų41.712%0.11726%0.262CS..Hα-helixtrans-73.6-21.6178.6-56.60000112.9F275 S279 Y283 L629F275-T633 HydrophobicContact CE1-CG2 4.11Å; F275-T633 HydrophobicContact CZ-CG2 3.7Å; S279-T633 VanDerWaalsContact CB-CG2 3.42Å; Y283-T633 HydrophobicContact CE2-CG2 4.29Å; Y283-T633 VanDerWaalsContact CE2-O 3.3Å; Y283-T633 WeakPolarHBondContact CE2-O 3.47Å; Y283-T633 PolarHBondContact OH-O 3.06Å; Y283-T633 VanDerWaalsContact OH-O 3.1Å; L629-T633 VanDerWaalsContact O-CB 3.25Å; L629-T633 WeakPolarHBondContact O-CB 3.16Å; L629-T633 PolarHBondContact O-N 3.27Å; L629-T633 PolarHBondContact O-OG1 2.96Å
634F94.6Very high87.2Confident1 Ų146 Ų460%0.00427%0.272CS..SBendtrans-117.86.3-179.8-60-58.1000114.5F275 V278 F282 L604 M607 M630 H632 C637 V638F275-F634 AromaticContact CE2-CE2 3.87Å; F275-F634 HydrophobicContact CE2-CE2 3.87Å; F275-F634 HydrophobicContact CE2-CZ 4.01Å; F275-F634 HydrophobicContact CZ-CE2 4.45Å; V278-F634 HydrophobicContact CG1-CZ 4.41Å; F282-F634 HydrophobicContact CB-CD1 4.47Å; F282-F634 HydrophobicContact CB-CE1 4.35Å; F282-F634 HydrophobicContact CD2-CE1 4.18Å; L604-F634 HydrophobicContact CD1-CD1 3.78Å; L604-F634 HydrophobicContact CD1-CD2 3.98Å; L604-F634 HydrophobicContact CD1-CE1 3.73Å; L604-F634 HydrophobicContact CD1-CE2 3.94Å; L604-F634 HydrophobicContact CD1-CG 3.92Å; L604-F634 HydrophobicContact CD1-CZ 3.82Å; L604-F634 HydrophobicContact CD2-CB 4.22Å; L604-F634 HydrophobicContact CD2-CD1 4.08Å; L604-F634 HydrophobicContact CD2-CG 4.17Å; L604-F634 HydrophobicContact CG-CD1 4.47Å; L604-F634 HydrophobicContact CG-CG 4.38Å; M607-F634 HydrophobicContact CE-CE2 3.87Å; M607-F634 HydrophobicContact CE-CZ 3.9Å; M630-F634 HydrophobicContact CE-CE2 3.81Å; M630-F634 VanDerWaalsContact O-CD2 3.3Å; M630-F634 WeakPolarHBondContact O-CD2 3.23Å; M630-F634 PolarHBondContact O-N 3.13Å; H632-F634 VanDerWaalsContact C-N 3.31Å; H632-F634 PolarHBondContact O-N 2.92Å; F634-C637 PolarHBondContact O-SG 2.96Å; F634-V638 WeakPolarHBondContact O-CB 3.32Å; F634-V638 WeakPolarHBondContact O-CG2 3.27Å; F634-V638 PolarHBondContact O-N 3.34Å
635S92.4Very high85.7Confident8 Ų845.4 Ų45.46%0.05627%0.274CS..Hα-helixtrans-58.9-63.3174.852.70000111.3V631 H632 C637 V638 L639V631-S635 WeakPolarHBondContact O-CB 3.44Å; V631-S635 PolarHBondContact O-N 2.96Å; V631-S635 VanDerWaalsContact O-N 3.16Å; H632-S635 PolarHBondContact O-OG 3.2Å; H632-S635 VanDerWaalsContact O-OG 3.07Å; S635-C637 PolarHBondContact O-N 2.93Å; S635-V638 PolarHBondContact O-N 3.45Å; S635-V638 VanDerWaalsContact O-N 3.14Å; S635-L639 PolarHBondContact O-N 3.4Å
636G87.6Confident84.2Confident20 Ų2050.9 Ų50.921%0.20629%0.292CS..Hα-helixtrans-62.8-40.1-175.900000114.2V638 L639 S640G636-V638 PolarHBondContact O-N 3.02Å; G636-L639 CarbonylContact O-C 3.18Å; G636-L639 PolarHBondContact O-N 3.3Å; G636-S640 WeakPolarHBondContact CA-OG 3.39Å; G636-S640 PolarHBondContact O-OG 2.82Å
637C90.4Very high82.7Confident9 Ų955 Ų556%0.06131%0.311CS..Hα-helixtrans-70.5-20.7178.477.40000113F282 P288 L289 F634 S635F282-C637 HydrophobicContact CB-CB 4.14Å; F282-C637 WeakPolarHBondContact O-CB 3.46Å; P288-C637 CarbonylContact C-O 3.56Å; P288-C637 WeakPolarHBondContact CA-O 3.35Å; L289-C637 WeakPolarHBondContact CG-O 3.34Å; L289-C637 PolarHBondContact N-O 3.28Å; F634-C637 PolarHBondContact O-SG 2.96Å; S635-C637 PolarHBondContact O-N 2.93Å
638V90.7Very high81.7Confident0 Ų052.9 Ų52.90%031%0.305CS..Hα-helixtrans-84.8-46.7172.6170.90000110.4L289 L290 L601 L604 M605 F634 S635 G636 V656 L659L289-V638 HydrophobicContact CD1-CG2 4.26Å; L290-V638 WeakPolarHBondContact CB-O 3.38Å; L290-V638 HydrophobicContact CD1-CG1 3.67Å; L290-V638 HydrophobicContact CG-CG1 3.87Å; L290-V638 VanDerWaalsContact CG-O 3.27Å; L290-V638 WeakPolarHBondContact CG-O 3.33Å; L290-V638 PolarHBondContact N-O 3.05Å; L601-V638 HydrophobicContact CD1-CG1 3.97Å; L601-V638 HydrophobicContact CD1-CG2 4.02Å; L604-V638 HydrophobicContact CD2-CG2 3.99Å; M605-V638 HydrophobicContact CE-CG2 3.96Å; F634-V638 WeakPolarHBondContact O-CB 3.32Å; F634-V638 WeakPolarHBondContact O-CG2 3.27Å; F634-V638 PolarHBondContact O-N 3.34Å; S635-V638 PolarHBondContact O-N 3.45Å; S635-V638 VanDerWaalsContact O-N 3.14Å; G636-V638 PolarHBondContact O-N 3.02Å; V638-V656 HydrophobicContact CB-CG2 3.71Å; V638-V656 HydrophobicContact CG1-CG2 3.81Å; V638-V656 HydrophobicContact CG2-CG2 3.96Å; V638-L659 HydrophobicContact CG1-CD1 4.32Å
639L88.4Confident81.1Confident3 Ų354.7 Ų54.72%0.01631%0.309CS..SBendtrans-144.2116.4-173.7-169.580.7000110.8L290 Y295 F298 I299 S635 G636 A652 L655L290-L639 HydrophobicContact CB-CD1 4.25Å; L290-L639 HydrophobicContact CD1-CB 4.24Å; L290-L639 HydrophobicContact CD1-CD1 3.78Å; Y295-L639 HydrophobicContact CD2-CD1 3.56Å; Y295-L639 HydrophobicContact CD2-CG 3.8Å; Y295-L639 HydrophobicContact CE2-CD1 3.93Å; Y295-L639 HydrophobicContact CE2-CD2 4.04Å; Y295-L639 HydrophobicContact CE2-CG 3.67Å; F298-L639 HydrophobicContact CB-CD1 4.17Å; I299-L639 HydrophobicContact CD1-CD2 3.67Å; I299-L639 HydrophobicContact CG1-CD2 4.39Å; S635-L639 PolarHBondContact O-N 3.4Å; G636-L639 CarbonylContact O-C 3.18Å; G636-L639 PolarHBondContact O-N 3.3Å; L639-A652 HydrophobicContact CB-CB 3.97Å; L639-A652 HydrophobicContact CD2-CB 4.02Å; L639-A652 HydrophobicContact CG-CB 4.44Å; L639-A652 WeakPolarHBondContact O-CB 3.42Å; L639-L655 HydrophobicContact CD1-CD2 4.3Å; L639-L655 HydrophobicContact CD2-CD2 3.87Å; L639-L655 HydrophobicContact CG-CD2 4.46Å
640S83.8Confident80.7Confident42 Ų4258.7 Ų58.729%0.29433%0.329SS..  trans-144.6147.3168.3-71.30000109.4Y292 G636Y292-S640 WeakPolarHBondContact CD1-O 3.43Å; Y292-S640 WeakPolarHBondContact CE1-O 3.36Å; G636-S640 WeakPolarHBondContact CA-OG 3.39Å; G636-S640 PolarHBondContact O-OG 2.82Å
641S79.3Confident80.3Confident35 Ų3559.2 Ų59.225%0.24533%0.332CS..  trans-67.8165.5162.7179.40000111.8Y292 E643 D648Y292-S641 WeakPolarHBondContact CE1-O 3.4Å; S641-E643 VanDerWaalsContact C-N 3.32Å; S641-E643 VanDerWaalsContact CB-O 3.26Å; S641-E643 WeakPolarHBondContact CB-O 3.43Å; S641-E643 PolarHBondContact OG-N 3.24Å; S641-E643 PolarHBondContact OG-O 3.49Å; S641-E643 VanDerWaalsContact OG-O 3.08Å; S641-D648 WeakPolarHBondContact CB-OD2 3.28Å; S641-D648 PolarHBondContact N-OD2 3.14Å; S641-D648 VanDerWaalsContact N-OD2 3.17Å
642A72.3Confident80Confident82 Ų8258.8 Ų58.868%0.67833%0.33SS*.SBendtrans-82.8-11.1166.800000112.9Y292Y292-A642 HydrophobicContact CD1-CB 3.98Å; Y292-A642 HydrophobicContact CE1-CB 4.13Å; Y292-A642 HydrophobicContact CG-CB 4.31Å
643E69.4Low80Confident152 Ų15255.2 Ų55.271%0.7132%0.315SS*.SBendtrans-119.3127.1173.6-61.1-172.3173.800109.4S641 C645S641-E643 VanDerWaalsContact C-N 3.32Å; S641-E643 VanDerWaalsContact CB-O 3.26Å; S641-E643 WeakPolarHBondContact CB-O 3.43Å; S641-E643 PolarHBondContact OG-N 3.24Å; S641-E643 PolarHBondContact OG-O 3.49Å; S641-E643 VanDerWaalsContact OG-O 3.08Å; E643-C645 PolarHBondContact O-N 3.32Å; E643-C645 PolarHBondContact O-SG 2.84Å
644D57.1Low79.9Confident180 Ų18059.1 Ų59.196%0.96333%0.327SS*.  trans-59.6103.8-173.9-65.5-54000113
645C59.7Low79.8Confident60 Ų6059.1 Ų59.141%0.40533%0.327SS..  trans-121.4116.7-176.6-70.10000112.4E643 L647 D648E643-C645 PolarHBondContact O-N 3.32Å; E643-C645 PolarHBondContact O-SG 2.84Å; C645-L647 PolarHBondContact O-N 3.22Å; C645-D648 WeakPolarHBondContact CB-OD1 3.32Å; C645-D648 VanDerWaalsContact O-CB 3.29Å; C645-D648 WeakPolarHBondContact O-CB 3.23Å; C645-D648 PolarHBondContact O-N 2.82Å
646D58.4Low79.8Confident165 Ų16558.7 Ų58.788%0.88232%0.324SS*.Hα-helixtrans-57.1-21.5-179.6-59.5-50.2000114.1D648D646-D648 VanDerWaalsContact C-N 3.29Å
647L60Low80.1Confident115 Ų11559.4 Ų59.460%0.60233%0.326SS*.Hα-helixtrans-70.6-26.9177.9-176.858.5000112.4C645 L651C645-L647 PolarHBondContact O-N 3.22Å; L647-L651 HydrophobicContact CD1-CD1 4.29Å; L647-L651 HydrophobicContact CD2-CD1 4.43Å; L647-L651 HydrophobicContact CG-CD1 3.91Å
648D70.8Confident80.2Confident22 Ų2259 Ų5912%0.11832%0.323CS..Hα-helixtrans-68.4-41.8-170.4-65.53.4000111.7Y295 S641 C645 D646 L650 L651 A652Y295-D648 PolarHBondContact OH-OD1 2.87Å; Y295-D648 PolarHBondContact OH-OD2 3.17Å; S641-D648 WeakPolarHBondContact CB-OD2 3.28Å; S641-D648 PolarHBondContact N-OD2 3.14Å; S641-D648 VanDerWaalsContact N-OD2 3.17Å; C645-D648 WeakPolarHBondContact CB-OD1 3.32Å; C645-D648 VanDerWaalsContact O-CB 3.29Å; C645-D648 WeakPolarHBondContact O-CB 3.23Å; C645-D648 PolarHBondContact O-N 2.82Å; D646-D648 VanDerWaalsContact C-N 3.29Å; D648-L650 VanDerWaalsContact C-N 3.28Å; D648-L650 PolarHBondContact O-N 3.41Å; D648-L651 PolarHBondContact O-N 2.98Å; D648-A652 VanDerWaalsContact O-CB 3.29Å; D648-A652 WeakPolarHBondContact O-CB 3.41Å; D648-A652 PolarHBondContact O-N 3.5Å
649E81.1Confident80.4Confident112 Ų11259 Ų5952%0.52332%0.323SS..Hα-helixtrans-59.5-40.5-175.4-162.4-163160.600111.4H632 L651 T653H632-E649 IonicContact CE1-OE1 3.42Å; H632-E649 IonicContact ND1-OE1 3.15Å; H632-E649 PolarHBondContact ND1-OE1 2.92Å; E649-L651 VanDerWaalsContact C-N 3.3Å; E649-L651 PolarHBondContact O-N 2.97Å; E649-T653 HydrophobicContact CG-CG2 4.44Å; E649-T653 WeakPolarHBondContact O-CB 3.33Å; E649-T653 VanDerWaalsContact O-CG2 3.26Å; E649-T653 WeakPolarHBondContact O-CG2 3.2Å; E649-T653 PolarHBondContact O-N 3.48Å; E649-T653 PolarHBondContact O-OG1 3.12Å
650L84.4Confident80.6Confident105 Ų10559 Ų5955%0.5532%0.323SS..Hα-helixtrans-72.3-20.3178.7-69.3178.7000113.7D648 R654D648-L650 VanDerWaalsContact C-N 3.28Å; D648-L650 PolarHBondContact O-N 3.41Å; L650-R654 VanDerWaalsContact O-CD 3.27Å; L650-R654 WeakPolarHBondContact O-CD 3.24Å; L650-R654 WeakPolarHBondContact O-CG 3.15Å; L650-R654 PolarHBondContact O-NE 2.99Å
651L86.4Confident81Confident12 Ų1259.5 Ų59.56%0.06332%0.322CS..Hα-helixtrans-93.2-40.3176.6-61.9177.2000110.9I299 L302 V308 L647 D648 E649 R654 L655I299-L651 HydrophobicContact CD1-CB 3.59Å; I299-L651 HydrophobicContact CD1-CD1 3.83Å; I299-L651 HydrophobicContact CD1-CG 4.33Å; I299-L651 HydrophobicContact CG2-CD1 4.19Å; L302-L651 HydrophobicContact CD2-CB 4.36Å; L302-L651 HydrophobicContact CD2-CD2 4.33Å; V308-L651 HydrophobicContact CG1-CD2 4.4Å; V308-L651 HydrophobicContact CG2-CD2 3.57Å; L647-L651 HydrophobicContact CD1-CD1 4.29Å; L647-L651 HydrophobicContact CD2-CD1 4.43Å; L647-L651 HydrophobicContact CG-CD1 3.91Å; D648-L651 PolarHBondContact O-N 2.98Å; E649-L651 VanDerWaalsContact C-N 3.3Å; E649-L651 PolarHBondContact O-N 2.97Å; L651-R654 PolarHBondContact O-N 2.87Å; L651-L655 WeakPolarHBondContact O-CB 3.17Å; L651-L655 PolarHBondContact O-N 3.38Å
652A89.4Confident81.7Confident2 Ų259.3 Ų59.32%0.01732%0.318CS..Hα-helixtrans-61.6-45.3172.900000112.1L639 D648 R654 L655 V656L639-A652 HydrophobicContact CB-CB 3.97Å; L639-A652 HydrophobicContact CD2-CB 4.02Å; L639-A652 HydrophobicContact CG-CB 4.44Å; L639-A652 WeakPolarHBondContact O-CB 3.42Å; D648-A652 VanDerWaalsContact O-CB 3.29Å; D648-A652 WeakPolarHBondContact O-CB 3.41Å; D648-A652 PolarHBondContact O-N 3.5Å; A652-R654 PolarHBondContact O-N 2.94Å; A652-L655 PolarHBondContact O-N 3.31Å; A652-V656 WeakPolarHBondContact O-CB 3.27Å; A652-V656 WeakPolarHBondContact O-CG2 3.13Å; A652-V656 PolarHBondContact O-N 3.28Å
653T90.8Very high82.7Confident16 Ų1656 Ų5610%0.09829%0.288CS..Hα-helixtrans-64.1-38.8175.249.80000112.5V631 E649 S657V631-T653 HydrophobicContact CG1-CG2 4.16Å; V631-T653 WeakPolarHBondContact CG1-O 3.32Å; E649-T653 HydrophobicContact CG-CG2 4.44Å; E649-T653 WeakPolarHBondContact O-CB 3.33Å; E649-T653 VanDerWaalsContact O-CG2 3.26Å; E649-T653 WeakPolarHBondContact O-CG2 3.2Å; E649-T653 PolarHBondContact O-N 3.48Å; E649-T653 PolarHBondContact O-OG1 3.12Å; T653-S657 WeakPolarHBondContact O-CB 3.41Å; T653-S657 PolarHBondContact O-N 3.42Å
654R90.3Very high83.7Confident101 Ų10155.7 Ų55.738%0.38129%0.287SS..Hα-helixtrans-63.7-46.9172.3-74.3175-161.7-139.61.3111.8L302 Y307 L650 L651 A652 S657 F658L302-R654 HydrophobicContact CD2-CB 4.25Å; Y307-R654 PolarHBondContact O-NH1 2.61Å; L650-R654 VanDerWaalsContact O-CD 3.27Å; L650-R654 WeakPolarHBondContact O-CD 3.24Å; L650-R654 WeakPolarHBondContact O-CG 3.15Å; L650-R654 PolarHBondContact O-NE 2.99Å; L651-R654 PolarHBondContact O-N 2.87Å; A652-R654 PolarHBondContact O-N 2.94Å; R654-S657 PolarHBondContact O-N 2.86Å; R654-F658 PolarHBondContact O-N 2.67Å
655L92.3Very high85.3Confident0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-63-45.7179.4-175.364.3000111.3L290 F298 L302 L586 L639 L651 A652 F658 L659L290-L655 HydrophobicContact CD1-CD2 3.54Å; F298-L655 HydrophobicContact CB-CD2 4.09Å; F298-L655 HydrophobicContact CD1-CD2 4.38Å; L302-L655 HydrophobicContact CD1-CD1 4.27Å; L302-L655 HydrophobicContact CD2-CB 4.31Å; L586-L655 HydrophobicContact CD1-CD1 4.12Å; L586-L655 HydrophobicContact CD2-CD1 4.24Å; L639-L655 HydrophobicContact CD1-CD2 4.3Å; L639-L655 HydrophobicContact CD2-CD2 3.87Å; L639-L655 HydrophobicContact CG-CD2 4.46Å; L651-L655 WeakPolarHBondContact O-CB 3.17Å; L651-L655 PolarHBondContact O-N 3.38Å; A652-L655 PolarHBondContact O-N 3.31Å; L655-F658 PolarHBondContact O-N 2.76Å; L655-L659 HydrophobicContact CD1-CD1 4.41Å; L655-L659 HydrophobicContact CD1-CG 4.35Å; L655-L659 HydrophobicContact CG-CD1 3.99Å; L655-L659 HydrophobicContact CG-CG 4.34Å; L655-L659 WeakPolarHBondContact O-CB 3.37Å; L655-L659 VanDerWaalsContact O-CG 3.28Å; L655-L659 WeakPolarHBondContact O-CG 3.47Å; L655-L659 PolarHBondContact O-N 2.64Å
656V93.9Very high86.9Confident0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-65.1-39.1177.5169.60000111.8M605 V631 V638 A652 F658 L659 M660M605-V656 HydrophobicContact CE-CG1 4.22Å; V631-V656 HydrophobicContact CG2-CG1 4.49Å; V638-V656 HydrophobicContact CB-CG2 3.71Å; V638-V656 HydrophobicContact CG1-CG2 3.81Å; V638-V656 HydrophobicContact CG2-CG2 3.96Å; A652-V656 WeakPolarHBondContact O-CB 3.27Å; A652-V656 WeakPolarHBondContact O-CG2 3.13Å; A652-V656 PolarHBondContact O-N 3.28Å; V656-F658 PolarHBondContact O-N 2.85Å; V656-L659 PolarHBondContact O-N 2.79Å; V656-M660 HydrophobicContact CG1-CG 4.4Å; V656-M660 HydrophobicContact CG1-SD 4.16Å; V656-M660 WeakPolarHBondContact O-CB 3.19Å; V656-M660 VanDerWaalsContact O-CG 3.32Å; V656-M660 WeakPolarHBondContact O-CG 3.47Å; V656-M660 PolarHBondContact O-N 3.15Å
657S93.4Very high88.6Confident34 Ų3439.1 Ų39.124%0.23820%0.198CC..Hα-helixtrans-58.5-48.7171.2-1760000111.3R627 T653 R654 L659 M660 D661R627-S657 PolarHBondContact NH2-OG 3Å; T653-S657 WeakPolarHBondContact O-CB 3.41Å; T653-S657 PolarHBondContact O-N 3.42Å; R654-S657 PolarHBondContact O-N 2.86Å; S657-L659 PolarHBondContact O-N 3.25Å; S657-M660 PolarHBondContact O-N 3.26Å; S657-D661 PolarHBondContact O-N 3.02Å; S657-D661 VanDerWaalsContact O-N 3.13Å; S657-D661 VanDerWaalsContact O-OD2 3.06Å
658F92.9Very high90.1Very high2 Ų235.1 Ų35.11%0.00918%0.18CC..Hα-helixtrans-62.2-43.9178.8-175.2-105.7000112.6Y307 A582 I583 L586 R654 L655 V656 M660 D661 H662 V666Y307-F658 HydrophobicContact CD2-CD2 4.49Å; Y307-F658 HydrophobicContact CE2-CB 4.45Å; Y307-F658 AromaticContact CE2-CD2 3.36Å; Y307-F658 HydrophobicContact CE2-CD2 3.36Å; Y307-F658 AromaticContact CE2-CE2 3.59Å; Y307-F658 HydrophobicContact CE2-CE2 3.59Å; Y307-F658 AromaticContact CE2-CG 3.92Å; Y307-F658 HydrophobicContact CE2-CG 3.92Å; Y307-F658 HydrophobicContact CE2-CZ 4.35Å; Y307-F658 AromaticContact CZ-CD2 3.44Å; Y307-F658 VanDerWaalsContact CZ-CD2 3.44Å; Y307-F658 AromaticContact CZ-CE2 3.97Å; Y307-F658 WeakPolarHBondContact OH-CD2 3.42Å; A582-F658 HydrophobicContact CB-CE1 4.11Å; A582-F658 HydrophobicContact CB-CZ 3.74Å; I583-F658 HydrophobicContact CG1-CE1 4.42Å; I583-F658 HydrophobicContact CG1-CZ 3.81Å; L586-F658 HydrophobicContact CD1-CD1 3.64Å; L586-F658 HydrophobicContact CD1-CE1 3.52Å; R654-F658 PolarHBondContact O-N 2.67Å; L655-F658 PolarHBondContact O-N 2.76Å; V656-F658 PolarHBondContact O-N 2.85Å; F658-M660 PolarHBondContact O-N 3.08Å; F658-D661 PolarHBondContact O-N 3.43Å; F658-H662 AromaticContact CD2-CD2 3.27Å; F658-H662 WeakPolarHBondContact CD2-CD2 3.46Å; F658-H662 AromaticContact CD2-NE2 3.69Å; F658-H662 AromaticContact CE2-CD2 3.15Å; F658-H662 WeakPolarHBondContact CE2-CD2 3.3Å; F658-H662 AromaticContact CE2-CG 3.93Å; F658-H662 AromaticContact CE2-NE2 3.41Å; F658-H662 WeakPolarHBondContact CE2-NE2 3.27Å; F658-H662 HydrophobicContact CZ-CB 4.46Å; F658-H662 AromaticContact CZ-CD2 3.75Å; F658-H662 PolarHBondContact O-CD2 3.48Å; F658-H662 VanDerWaalsContact O-CD2 3.31Å; F658-H662 PolarHBondContact O-N 2.99Å; F658-V666 HydrophobicContact CE1-CG2 4.19Å
659L93.8Very high91Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-62.8-40.8176.1-70174.8000111.4M605 V638 L655 V656 S657 D661 Q663 V666M605-L659 HydrophobicContact CG-CB 4.22Å; M605-L659 HydrophobicContact SD-CB 3.6Å; M605-L659 VanDerWaalsContact SD-CB 3.6Å; V638-L659 HydrophobicContact CG1-CD1 4.32Å; L655-L659 HydrophobicContact CD1-CD1 4.41Å; L655-L659 HydrophobicContact CD1-CG 4.35Å; L655-L659 HydrophobicContact CG-CD1 3.99Å; L655-L659 HydrophobicContact CG-CG 4.34Å; L655-L659 WeakPolarHBondContact O-CB 3.37Å; L655-L659 VanDerWaalsContact O-CG 3.28Å; L655-L659 WeakPolarHBondContact O-CG 3.47Å; L655-L659 PolarHBondContact O-N 2.64Å; V656-L659 PolarHBondContact O-N 2.79Å; S657-L659 PolarHBondContact O-N 3.25Å; L659-D661 VanDerWaalsContact C-N 3.3Å; L659-D661 PolarHBondContact O-N 3.3Å; L659-Q663 VanDerWaalsContact O-CA 3.28Å; L659-Q663 WeakPolarHBondContact O-CA 3.29Å; L659-Q663 WeakPolarHBondContact O-CB 3.38Å; L659-Q663 PolarHBondContact O-N 3.48Å; L659-V666 HydrophobicContact CD2-CB 4.34Å; L659-V666 HydrophobicContact CD2-CG1 3.62Å
660M93.9Very high91.5Very high1 Ų129 Ų291%0.00515%0.152CC..Hα-helixtrans-62.1-35.2176-79.5179.354.300113.5M605 A608 S609 R627 M630 V631 V656 S657 F658M605-M660 HydrophobicContact SD-CG 4.07Å; A608-M660 HydrophobicContact CB-CE 4.09Å; A608-M660 HydrophobicContact CB-CG 4Å; A608-M660 HydrophobicContact CB-SD 3.86Å; S609-M660 WeakPolarHBondContact CB-O 3.47Å; S609-M660 PolarHBondContact OG-O 2.88Å; R627-M660 HydrophobicContact CG-CE 4.33Å; M630-M660 HydrophobicContact CB-CE 3.87Å; M630-M660 HydrophobicContact CB-SD 3.91Å; M630-M660 HydrophobicContact CG-CE 4.31Å; V631-M660 HydrophobicContact CG2-CE 4.45Å; V631-M660 HydrophobicContact CG2-SD 3.71Å; V656-M660 HydrophobicContact CG1-CG 4.4Å; V656-M660 HydrophobicContact CG1-SD 4.16Å; V656-M660 WeakPolarHBondContact O-CB 3.19Å; V656-M660 VanDerWaalsContact O-CG 3.32Å; V656-M660 WeakPolarHBondContact O-CG 3.47Å; V656-M660 PolarHBondContact O-N 3.15Å; S657-M660 PolarHBondContact O-N 3.26Å; F658-M660 PolarHBondContact O-N 3.08Å
661D92.1Very high91.8Very high53 Ų5329.1 Ų29.128%0.28315%0.149SC..Hα-helixtrans-77.4-43179.2-67.1-35.3000112.2R627 S657 F658 L659R627-D661 IonicContact CZ-OD1 3.72Å; R627-D661 VanDerWaalsContact CZ-OD1 3.29Å; R627-D661 IonicContact CZ-OD2 2.74Å; R627-D661 IonicContact NH1-OD1 3.62Å; R627-D661 PolarHBondContact NH1-OD1 3.49Å; R627-D661 IonicContact NH1-OD2 2.68Å; R627-D661 IonicContact NH2-OD1 3.61Å; R627-D661 PolarHBondContact NH2-OD1 3.16Å; R627-D661 IonicContact NH2-OD2 3.01Å; R627-D661 PolarHBondContact NH2-OD2 2.89Å; S657-D661 PolarHBondContact O-N 3.02Å; S657-D661 VanDerWaalsContact O-N 3.13Å; S657-D661 VanDerWaalsContact O-OD2 3.06Å; F658-D661 PolarHBondContact O-N 3.43Å; L659-D661 VanDerWaalsContact C-N 3.3Å; L659-D661 PolarHBondContact O-N 3.3Å
662H92.7Very high91.9Very high32 Ų3234 Ų3415%0.14817%0.167CC..Hα-helixtrans-108.410.9-171.5-55.9-85.2000114.6E579 I583 F658 Q664 S665 V666E579-H662 IonicContact OE1-CE1 2.97Å; E579-H662 PolarHBondContact OE1-CE1 3.48Å; E579-H662 IonicContact OE1-NE2 3.27Å; I583-H662 HydrophobicContact CD1-CB 4.38Å; I583-H662 HydrophobicContact CG1-CB 4.21Å; F658-H662 AromaticContact CD2-CD2 3.27Å; F658-H662 WeakPolarHBondContact CD2-CD2 3.46Å; F658-H662 AromaticContact CD2-NE2 3.69Å; F658-H662 AromaticContact CE2-CD2 3.15Å; F658-H662 WeakPolarHBondContact CE2-CD2 3.3Å; F658-H662 AromaticContact CE2-CG 3.93Å; F658-H662 AromaticContact CE2-NE2 3.41Å; F658-H662 WeakPolarHBondContact CE2-NE2 3.27Å; F658-H662 HydrophobicContact CZ-CB 4.46Å; F658-H662 AromaticContact CZ-CD2 3.75Å; F658-H662 PolarHBondContact O-CD2 3.48Å; F658-H662 VanDerWaalsContact O-CD2 3.31Å; F658-H662 PolarHBondContact O-N 2.99Å; H662-Q664 PolarHBondContact O-N 3.28Å; H662-S665 PolarHBondContact O-N 3.41Å; H662-V666 HydrophobicContact CB-CG2 3.85Å; H662-V666 PolarHBondContact O-N 2.9Å
663Q92.9Very high91.9Very high11 Ų1134.3 Ų34.35%0.05117%0.169CC..Hα-helixtrans-50.7-31.2-175.750.489.26.400115.5M605 S609 L659 S665 L667M605-Q663 HydrophobicContact CB-CB 4.02Å; M605-Q663 HydrophobicContact CB-CG 4.49Å; S609-Q663 PolarHBondContact OG-NE2 2.93Å; L659-Q663 VanDerWaalsContact O-CA 3.28Å; L659-Q663 WeakPolarHBondContact O-CA 3.29Å; L659-Q663 WeakPolarHBondContact O-CB 3.38Å; L659-Q663 PolarHBondContact O-N 3.48Å; Q663-S665 VanDerWaalsContact C-N 3.29Å; Q663-S665 PolarHBondContact O-N 3.4Å; Q663-L667 HydrophobicContact CB-CD1 4.07Å; Q663-L667 HydrophobicContact CB-CG 4.46Å; Q663-L667 VanDerWaalsContact O-CB 3.31Å; Q663-L667 WeakPolarHBondContact O-CB 3.39Å; Q663-L667 PolarHBondContact O-N 2.86Å
664Q90.5Very high91.9Very high147 Ų14736.5 Ų36.569%0.68718%0.175SC*.Hα-helixtrans-67.9-30.6178.6-58.3-170.427.800112.6H662 S668H662-Q664 PolarHBondContact O-N 3.28Å; Q664-S668 WeakPolarHBondContact O-CB 3.38Å; Q664-S668 PolarHBondContact O-OG 2.96Å
665S91.8Very high91.8Very high56 Ų5633.4 Ų33.439%0.39217%0.169SC..Hα-helixtrans-96.7-37.5179.3-52.60000112.2Q587 H662 Q663 S668Q587-S665 PolarHBondContact NE2-O 2.9Å; Q587-S665 VanDerWaalsContact NE2-O 3.1Å; H662-S665 PolarHBondContact O-N 3.41Å; Q663-S665 VanDerWaalsContact C-N 3.29Å; Q663-S665 PolarHBondContact O-N 3.4Å; S665-S668 PolarHBondContact O-OG 3.46Å
666V93.6Very high91.6Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-76.5-34.5-178.9179.10000112I583 L586 Q587 T590 F658 L659 H662I583-V666 HydrophobicContact CB-CG2 4.38Å; I583-V666 HydrophobicContact CG1-CG2 4.27Å; I583-V666 HydrophobicContact CG2-CG2 4.13Å; L586-V666 HydrophobicContact CB-CG1 3.63Å; Q587-V666 WeakPolarHBondContact CA-O 3.33Å; T590-V666 HydrophobicContact CG2-CG1 4.4Å; T590-V666 PolarHBondContact OG1-O 3.33Å; F658-V666 HydrophobicContact CE1-CG2 4.19Å; L659-V666 HydrophobicContact CD2-CB 4.34Å; L659-V666 HydrophobicContact CD2-CG1 3.62Å; H662-V666 HydrophobicContact CB-CG2 3.85Å; H662-V666 PolarHBondContact O-N 2.9Å
667L92.9Very high91.4Very high0 Ų034.6 Ų34.60%018%0.178CC..SBendtrans-104.29.8-175.5-51.6178.8000113.9T590 R598 L601 Q602 M605 Q663T590-L667 HydrophobicContact CG2-CD2 3.73Å; R598-L667 PolarHBondContact NH2-O 3.47Å; R598-L667 VanDerWaalsContact NH2-O 3.11Å; L601-L667 HydrophobicContact CD2-CD2 3.96Å; L601-L667 HydrophobicContact CG-CD1 4.36Å; Q602-L667 HydrophobicContact CG-CB 3.88Å; Q602-L667 HydrophobicContact CG-CD1 4.19Å; Q602-L667 PolarHBondContact NE2-O 3.27Å; M605-L667 HydrophobicContact CB-CD1 3.9Å; M605-L667 HydrophobicContact CG-CD1 4.03Å; Q663-L667 HydrophobicContact CB-CD1 4.07Å; Q663-L667 HydrophobicContact CB-CG 4.46Å; Q663-L667 VanDerWaalsContact O-CB 3.31Å; Q663-L667 WeakPolarHBondContact O-CB 3.39Å; Q663-L667 PolarHBondContact O-N 2.86Å
668S91.6Very high91.2Very high31 Ų3139.4 Ų39.422%0.21719%0.191CC..SBendtrans-79177.6167.256.70000111.5Q587 R598 Q664 S665Q587-S668 PolarHBondContact NE2-OG 2.84Å; R598-S668 PolarHBondContact NH2-O 3.41Å; Q664-S668 WeakPolarHBondContact O-CB 3.38Å; Q664-S668 PolarHBondContact O-OG 2.96Å; S665-S668 PolarHBondContact O-OG 3.46Å
669V91Very high91Very high4 Ų443.3 Ų43.32%0.02421%0.212CC..  trans-99.9135.3172.8175.60000107.8N224 M225 V228 E671 R674N224-V669 WeakPolarHBondContact O-CG2 3.16Å; M225-V669 HydrophobicContact CB-CG1 4.02Å; M225-V669 HydrophobicContact CG-CG1 4.02Å; M225-V669 HydrophobicContact SD-CG1 4.38Å; V228-V669 HydrophobicContact CG1-CG2 3.9Å; V228-V669 HydrophobicContact CG2-CG2 4.38Å; V669-E671 VanDerWaalsContact O-CD 3.25Å; V669-E671 PolarHBondContact O-N 2.97Å; V669-R674 HydrophobicContact CG1-CB 4.38Å
670P91.9Very high90.6Very high3 Ų347.4 Ų47.42%0.01923%0.231CC..  trans-72.795.6171.926.2-31.5000110.8L588 L591 Y672 L673 R674L588-P670 HydrophobicContact CD2-CG 4.11Å; L591-P670 HydrophobicContact CD1-CG 3.87Å; P670-Y672 HydrophobicContact CB-CD1 3.99Å; P670-Y672 HydrophobicContact CB-CE1 3.44Å; P670-Y672 VanDerWaalsContact CB-CE1 3.44Å; P670-Y672 PolarHBondContact O-N 2.86Å; P670-Y672 VanDerWaalsContact O-N 3.17Å; P670-L673 HydrophobicContact CB-CB 3.96Å; P670-L673 HydrophobicContact CG-CB 3.96Å; P670-L673 HydrophobicContact CG-CD2 3.98Å; P670-L673 PolarHBondContact O-N 3.33Å; P670-L673 VanDerWaalsContact O-N 3.12Å; P670-R674 PolarHBondContact O-N 2.86Å
671E88.7Confident90.3Very high107 Ų10747.7 Ų47.750%0.523%0.233SC..Hα-helixtrans-58.2-31.7-177.7-76.375.6-157.700113.8V669 S675V669-E671 VanDerWaalsContact O-CD 3.25Å; V669-E671 PolarHBondContact O-N 2.97Å; E671-S675 VanDerWaalsContact O-CB 3.31Å; E671-S675 WeakPolarHBondContact O-CB 3.31Å; E671-S675 PolarHBondContact O-N 3.11Å; E671-S675 PolarHBondContact O-OG 2.83Å
672Y89.4Confident90.1Very high114 Ų11450.7 Ų50.745%0.44725%0.245SC..Hα-helixtrans-64.1-45.2177.169.6-87.4000111.5H197 P670 S675 A676H197-Y672 AromaticContact NE2-CE2 3.07Å; H197-Y672 WeakPolarHBondContact NE2-CE2 3.48Å; H197-Y672 AromaticContact NE2-CZ 2.88Å; H197-Y672 PolarHBondContact NE2-OH 3.35Å; P670-Y672 HydrophobicContact CB-CD1 3.99Å; P670-Y672 HydrophobicContact CB-CE1 3.44Å; P670-Y672 VanDerWaalsContact CB-CE1 3.44Å; P670-Y672 PolarHBondContact O-N 2.86Å; P670-Y672 VanDerWaalsContact O-N 3.17Å; Y672-S675 PolarHBondContact O-N 2.95Å; Y672-A676 WeakPolarHBondContact O-CB 3.31Å; Y672-A676 PolarHBondContact O-N 2.93Å
673L89.4Confident89.7Confident8 Ų855 Ų554%0.04226%0.261CS..Hα-helixtrans-69.1-45.8179.9-177.964.3000110.4V193 H197 M225 L588 P670 S675 A676 I677V193-L673 HydrophobicContact CG1-CD1 3.99Å; H197-L673 HydrophobicContact CB-CD1 4.49Å; M225-L673 HydrophobicContact CE-CD2 3.99Å; M225-L673 HydrophobicContact CE-CG 4.44Å; L588-L673 HydrophobicContact CD2-CD2 3.52Å; P670-L673 HydrophobicContact CB-CB 3.96Å; P670-L673 HydrophobicContact CG-CB 3.96Å; P670-L673 HydrophobicContact CG-CD2 3.98Å; P670-L673 PolarHBondContact O-N 3.33Å; P670-L673 VanDerWaalsContact O-N 3.12Å; L673-S675 VanDerWaalsContact C-N 3.27Å; L673-S675 PolarHBondContact O-N 2.85Å; L673-A676 PolarHBondContact O-N 3.22Å; L673-I677 HydrophobicContact CD1-CD1 3.89Å; L673-I677 HydrophobicContact CD1-CG1 4.28Å; L673-I677 HydrophobicContact CG-CD1 3.85Å; L673-I677 WeakPolarHBondContact O-CG1 3.25Å; L673-I677 PolarHBondContact O-N 3.41Å
674R90.9Very high89.2Confident63 Ų6356.1 Ų56.124%0.23827%0.267CS..Hα-helixtrans-59-39176.3-173.5179.367.4180-3.5112.3W190 M225 V669 P670 R678W190-R674 HydrophobicContact CH2-CG 3.93Å; W190-R674 HydrophobicContact CZ3-CG 4.35Å; M225-R674 HydrophobicContact CB-CG 4.21Å; M225-R674 WeakPolarHBondContact O-CD 3.48Å; M225-R674 PolarHBondContact O-NH1 2.82Å; M225-R674 HydrophobicContact SD-CB 4.03Å; V669-R674 HydrophobicContact CG1-CB 4.38Å; P670-R674 PolarHBondContact O-N 2.86Å; R674-R678 WeakPolarHBondContact O-CB 3.34Å; R674-R678 PolarHBondContact O-N 3.34Å
675S89.3Confident88.7Confident36 Ų3655 Ų5525%0.25226%0.256SS..Hα-helixtrans-70.2-51.9176.2-54.30000110.4E671 Y672 L673 I677 R678 D679E671-S675 VanDerWaalsContact O-CB 3.31Å; E671-S675 WeakPolarHBondContact O-CB 3.31Å; E671-S675 PolarHBondContact O-N 3.11Å; E671-S675 PolarHBondContact O-OG 2.83Å; Y672-S675 PolarHBondContact O-N 2.95Å; L673-S675 VanDerWaalsContact C-N 3.27Å; L673-S675 PolarHBondContact O-N 2.85Å; S675-I677 VanDerWaalsContact C-N 3.31Å; S675-I677 PolarHBondContact O-N 3.42Å; S675-R678 PolarHBondContact O-N 2.85Å; S675-R678 VanDerWaalsContact O-N 3.14Å; S675-D679 WeakPolarHBondContact O-CB 3.46Å; S675-D679 PolarHBondContact O-N 3.04Å
676A86.6Confident88Confident23 Ų2355.7 Ų55.719%0.1926%0.259CS..Hα-helixtrans-54.3-42.717900000113.3Y672 L673 H680 Y709Y672-A676 WeakPolarHBondContact O-CB 3.31Å; Y672-A676 PolarHBondContact O-N 2.93Å; L673-A676 PolarHBondContact O-N 3.22Å; A676-H680 VanDerWaalsContact O-CB 3.27Å; A676-H680 WeakPolarHBondContact O-CB 3.35Å; A676-H680 PolarHBondContact O-N 3.2Å; A676-Y709 WeakPolarHBondContact CB-OH 3.31Å
677I89.4Confident86.9Confident1 Ų158.6 Ų58.61%0.00528%0.276CS..Hα-helixtrans-67.8-47.4177.5-65.3168.5000111.3I189 W190 V193 M225 L673 S675 D679 H680 I681I189-I677 HydrophobicContact CG2-CG2 4.05Å; W190-I677 HydrophobicContact CD2-CB 4.36Å; W190-I677 HydrophobicContact CD2-CD1 4.42Å; W190-I677 HydrophobicContact CD2-CG2 3.44Å; W190-I677 VanDerWaalsContact CD2-CG2 3.44Å; W190-I677 HydrophobicContact CE3-CB 4Å; W190-I677 HydrophobicContact CE3-CD1 3.56Å; W190-I677 HydrophobicContact CE3-CG1 4.37Å; W190-I677 HydrophobicContact CE3-CG2 3.56Å; W190-I677 HydrophobicContact CG-CG2 3.99Å; W190-I677 HydrophobicContact CH2-CB 3.92Å; W190-I677 HydrophobicContact CH2-CG2 3.85Å; W190-I677 HydrophobicContact CZ2-CB 4.32Å; W190-I677 HydrophobicContact CZ2-CG2 3.77Å; W190-I677 HydrophobicContact CZ3-CB 3.77Å; W190-I677 HydrophobicContact CZ3-CD1 3.72Å; W190-I677 HydrophobicContact CZ3-CG1 4.33Å; W190-I677 HydrophobicContact CZ3-CG2 3.76Å; V193-I677 HydrophobicContact CB-CD1 3.99Å; V193-I677 HydrophobicContact CB-CG1 3.85Å; V193-I677 HydrophobicContact CG1-CD1 3.94Å; V193-I677 HydrophobicContact CG1-CG1 3.59Å; V193-I677 HydrophobicContact CG2-CG1 4.44Å; M225-I677 HydrophobicContact CE-CD1 4.47Å; L673-I677 HydrophobicContact CD1-CD1 3.89Å; L673-I677 HydrophobicContact CD1-CG1 4.28Å; L673-I677 HydrophobicContact CG-CD1 3.85Å; L673-I677 WeakPolarHBondContact O-CG1 3.25Å; L673-I677 PolarHBondContact O-N 3.41Å; S675-I677 VanDerWaalsContact C-N 3.31Å; S675-I677 PolarHBondContact O-N 3.42Å; I677-D679 VanDerWaalsContact C-N 3.31Å; I677-D679 PolarHBondContact O-N 3Å; I677-H680 PolarHBondContact O-N 3.25Å; I677-I681 HydrophobicContact CG2-CD1 3.86Å; I677-I681 HydrophobicContact CG2-CG1 4.46Å; I677-I681 WeakPolarHBondContact O-CG1 3.39Å; I677-I681 PolarHBondContact O-N 2.88Å
678R89.9Confident85.4Confident135 Ų13560.4 Ų60.451%0.50928%0.284SS..Hα-helixtrans-60.3-41.9177.5-179.2-170.263-156-10.2111.8R674 S675 H680 I681 H682R674-R678 WeakPolarHBondContact O-CB 3.34Å; R674-R678 PolarHBondContact O-N 3.34Å; S675-R678 PolarHBondContact O-N 2.85Å; S675-R678 VanDerWaalsContact O-N 3.14Å; R678-H680 VanDerWaalsContact C-N 3.34Å; R678-I681 PolarHBondContact O-N 3.5Å; R678-H682 WeakPolarHBondContact O-CB 3.3Å; R678-H682 PolarHBondContact O-N 3.33Å
679D88.1Confident83.4Confident84 Ų8463.6 Ų63.645%0.44930%0.302SS..Hα-helixtrans-72.8-32.2-177.2-55.6-12.5000110.2S675 I677 Y683S675-D679 WeakPolarHBondContact O-CB 3.46Å; S675-D679 PolarHBondContact O-N 3.04Å; I677-D679 VanDerWaalsContact C-N 3.31Å; I677-D679 PolarHBondContact O-N 3Å; D679-Y683 WeakPolarHBondContact O-CB 3.04Å; D679-Y683 PolarHBondContact O-N 3.39Å
680H85.6Confident81.2Confident86 Ų8668.2 Ų68.240%0.39833%0.333SS..Hα-helixtrans-67-45.1169.2-175.960.4000112.9A676 I677 R678 H682 Y683 L684A676-H680 VanDerWaalsContact O-CB 3.27Å; A676-H680 WeakPolarHBondContact O-CB 3.35Å; A676-H680 PolarHBondContact O-N 3.2Å; I677-H680 PolarHBondContact O-N 3.25Å; R678-H680 VanDerWaalsContact C-N 3.34Å; H680-H682 VanDerWaalsContact C-N 3.34Å; H680-H682 PolarHBondContact O-N 3.09Å; H680-Y683 PolarHBondContact O-N 3.32Å; H680-L684 WeakPolarHBondContact O-CG 3.32Å; H680-L684 PolarHBondContact O-N 2.97Å
681I88.1Confident78.9Confident7 Ų774.7 Ų74.74%0.03637%0.372CS..Hα-helixtrans-60.8-44.1173.6-71.2169.4000110.3L181 E186 I189 W190 I677 R678 L684 R685L181-I681 HydrophobicContact CD2-CG2 4.12Å; E186-I681 HydrophobicContact CB-CD1 4.28Å; E186-I681 HydrophobicContact CG-CD1 4.31Å; E186-I681 HydrophobicContact CG-CG1 4.4Å; E186-I681 HydrophobicContact CG-CG2 3.88Å; I189-I681 HydrophobicContact CB-CG1 4.43Å; I189-I681 HydrophobicContact CD1-CG1 4.23Å; I189-I681 HydrophobicContact CG2-CD1 4.16Å; I189-I681 HydrophobicContact CG2-CG1 3.86Å; W190-I681 HydrophobicContact CZ2-CD1 4.5Å; I677-I681 HydrophobicContact CG2-CD1 3.86Å; I677-I681 HydrophobicContact CG2-CG1 4.46Å; I677-I681 WeakPolarHBondContact O-CG1 3.39Å; I677-I681 PolarHBondContact O-N 2.88Å; R678-I681 PolarHBondContact O-N 3.5Å; I681-L684 PolarHBondContact O-N 2.97Å; I681-R685 WeakPolarHBondContact O-CG 3.4Å; I681-R685 PolarHBondContact O-N 3.33Å
682H87.4Confident76.8Confident117 Ų11777 Ų7754%0.54239%0.387SS..Hα-helixtrans-60.3-46.5176-177.1-87.9000111.8R678 H680 R685 T686R678-H682 WeakPolarHBondContact O-CB 3.3Å; R678-H682 PolarHBondContact O-N 3.33Å; H680-H682 VanDerWaalsContact C-N 3.34Å; H680-H682 PolarHBondContact O-N 3.09Å; H682-R685 PolarHBondContact O-N 3.1Å; H682-T686 PolarHBondContact O-N 3.42Å; H682-T686 PolarHBondContact O-OG1 2.85Å
683Y84.3Confident74.3Confident123 Ų12376.8 Ų76.848%0.48240%0.403SS..Hα-helixtrans-57.1-48.9172.9171-96.4000111.8D679 H680 R685 T686 V687D679-Y683 WeakPolarHBondContact O-CB 3.04Å; D679-Y683 PolarHBondContact O-N 3.39Å; H680-Y683 PolarHBondContact O-N 3.32Å; Y683-R685 VanDerWaalsContact C-N 3.28Å; Y683-R685 PolarHBondContact O-N 3.07Å; Y683-T686 PolarHBondContact O-N 2.99Å; Y683-T686 VanDerWaalsContact O-N 3.1Å; Y683-T686 PolarHBondContact O-OG1 3.44Å; Y683-V687 HydrophobicContact CD1-CG2 4.27Å; Y683-V687 HydrophobicContact CD2-CG2 3.96Å; Y683-V687 HydrophobicContact CE1-CG2 3.92Å; Y683-V687 HydrophobicContact CE2-CG2 3.57Å; Y683-V687 HydrophobicContact CG-CG2 4.29Å; Y683-V687 VanDerWaalsContact O-CG2 3.27Å; Y683-V687 WeakPolarHBondContact O-CG2 3.13Å; Y683-V687 PolarHBondContact O-N 2.98Å
684L82.8Confident71.6Confident33 Ų3379.9 Ų79.917%0.17344%0.437CS..Hα-helixtrans-60.3-38.3179.3-73.5175.4000112.3L181 I189 H680 I681 Q688L181-L684 HydrophobicContact CD1-CB 4.38Å; L181-L684 HydrophobicContact CD1-CD1 4.41Å; L181-L684 HydrophobicContact CD2-CB 4.14Å; I189-L684 HydrophobicContact CD1-CD1 3.53Å; H680-L684 WeakPolarHBondContact O-CG 3.32Å; H680-L684 PolarHBondContact O-N 2.97Å; I681-L684 PolarHBondContact O-N 2.97Å; L684-Q688 WeakPolarHBondContact O-CG 3.28Å; L684-Q688 PolarHBondContact O-NE2 3.13Å
685R81.2Confident69.4Low123 Ų12383.3 Ų83.346%0.46447%0.467SS..Hα-helixtrans-64.9-41.2172.8-68.4171.4-178.4175.3-0.1112.3L181 E186 I681 H682 Y683 Q688L181-R685 HydrophobicContact CD2-CG 3.9Å; E186-R685 IonicContact OE1-CZ 3.73Å; E186-R685 IonicContact OE1-NE 3.29Å; E186-R685 PolarHBondContact OE1-NE 3.2Å; E186-R685 IonicContact OE1-NH2 2.86Å; E186-R685 PolarHBondContact OE1-NH2 2.7Å; E186-R685 IonicContact OE2-CZ 2.86Å; E186-R685 IonicContact OE2-NH2 2.72Å; E186-R685 PolarHBondContact OE2-NH2 3.29Å; I681-R685 WeakPolarHBondContact O-CG 3.4Å; I681-R685 PolarHBondContact O-N 3.33Å; H682-R685 PolarHBondContact O-N 3.1Å; Y683-R685 VanDerWaalsContact C-N 3.28Å; Y683-R685 PolarHBondContact O-N 3.07Å; R685-Q688 PolarHBondContact O-N 3.41Å
686T76.9Confident66.8Low72 Ų7287.3 Ų87.344%0.44250%0.495SS..Hα-helixtrans-71.5-39.2-178.457.20000113.2H682 Y683 Q688 V689H682-T686 PolarHBondContact O-N 3.42Å; H682-T686 PolarHBondContact O-OG1 2.85Å; Y683-T686 PolarHBondContact O-N 2.99Å; Y683-T686 VanDerWaalsContact O-N 3.1Å; Y683-T686 PolarHBondContact O-OG1 3.44Å; T686-Q688 PolarHBondContact O-N 2.96Å; T686-V689 PolarHBondContact O-N 3.28Å
687V69.9Low64.4Low60 Ų6093.6 Ų93.636%0.36453%0.526SS..THydrogen-bonded Turntrans-7511.9176.8-145.40000113.6R178 Y683R178-V687 VanDerWaalsContact CZ-O 3.31Å; R178-V687 VanDerWaalsContact NH1-CG1 3.31Å; R178-V687 PolarHBondContact NH1-O 3.39Å; Y683-V687 HydrophobicContact CD1-CG2 4.27Å; Y683-V687 HydrophobicContact CD2-CG2 3.96Å; Y683-V687 HydrophobicContact CE1-CG2 3.92Å; Y683-V687 HydrophobicContact CE2-CG2 3.57Å; Y683-V687 HydrophobicContact CG-CG2 4.29Å; Y683-V687 VanDerWaalsContact O-CG2 3.27Å; Y683-V687 WeakPolarHBondContact O-CG2 3.13Å; Y683-V687 PolarHBondContact O-N 2.98Å
688Q60.2Low61.6Low38 Ų3899.7 Ų99.718%0.17857%0.567CS.*THydrogen-bonded Turntrans-112.2-3.5175-69.717123.100113.7R178 R179 L684 R685 T686 P690R178-Q688 HydrophobicContact CG-CG 4.19Å; R179-Q688 PolarHBondContact O-OE1 3.16Å; L684-Q688 WeakPolarHBondContact O-CG 3.28Å; L684-Q688 PolarHBondContact O-NE2 3.13Å; R685-Q688 PolarHBondContact O-N 3.41Å; T686-Q688 PolarHBondContact O-N 2.96Å; Q688-P690 WeakPolarHBondContact O-CD 3.31Å
689V50Low58.8Low98 Ų9897.7 Ų97.759%0.59458%0.579SS**SBendtrans-88.6120.1175.9-1780000109.3T686 V691T686-V689 PolarHBondContact O-N 3.28Å; V689-V691 PolarHBondContact O-N 2.91Å
690P44.3Very low56Low102 Ų102100.4 Ų100.466%0.66259%0.594SS**  trans-65.7130.2167.1-16.631.5000109.8Q688 D692Q688-P690 WeakPolarHBondContact O-CD 3.31Å; P690-D692 PolarHBondContact O-N 2.91Å
691V44.5Very low53.9Low139 Ų139102.8 Ų102.884%0.84262%0.617SS**  trans-91.176.1-178.3-174.60000109.8V689V689-V691 PolarHBondContact O-N 2.91Å
692D43.8Very low51.5Low154 Ų154108.3 Ų108.382%0.82465%0.65SS**  trans-100.374.6175.2-83-44.6000111.9P690P690-D692 PolarHBondContact O-N 2.91Å
693S37.6Very low49.1Very low110 Ų110108.8 Ų108.877%0.76967%0.665SS**SBendtrans-171.5113.7151.760.90000114.2
694G32.8Very low46.9Very low74 Ų74108.5 Ų108.576%0.76368%0.676SS**  trans87.5129.3151.800000117.7
695P45.1Very low44.8Very low135 Ų135112 Ų11288%0.87770%0.701SS**  trans-81.3136.4168.633.2-32.4000111.2
696S34.1Very low42.8Very low119 Ų119113.6 Ų113.683%0.83272%0.716SS**  trans-150.8119.3163.4-172.20000109.2C698S696-C698 PolarHBondContact O-N 2.89Å
697D36.1Very low41.3Very low156 Ų156114.8 Ų114.883%0.83473%0.725SS**  trans-69.6123.4-178.4-59.1-79.8000112.2
698C31.3Very low40Very low128 Ų128118.8 Ų118.887%0.86574%0.741SS**  trans-179129138.3-980000113.5S696S696-C698 PolarHBondContact O-N 2.89Å
699A31.5Very low39.6Very low93 Ų93123.2 Ų123.277%0.76976%0.757SS**  trans59.2104.6153.900000121
700D28.8Very low39.3Very low142 Ų142123 Ų12376%0.75977%0.766SS**  trans49.9106.1139.7-64.3-8.2000121.8V702D700-V702 HydrophobicContact CB-CG2 4.47Å; D700-V702 PolarHBondContact O-N 2.99Å; D700-V702 VanDerWaalsContact O-N 3.09Å
701P41.1Very low39.6Very low136 Ų136127.3 Ų127.388%0.88378%0.775SS**  trans-82.780.1169.634.9-34.4000112.2
702V38.7Very low40.3Very low122 Ų122126.8 Ų126.874%0.73978%0.776SS**  trans-11080.3172.7-1710000111.4D700D700-V702 HydrophobicContact CB-CG2 4.47Å; D700-V702 PolarHBondContact O-N 2.99Å; D700-V702 VanDerWaalsContact O-N 3.09Å
703C36.1Very low40.9Very low127 Ų127127 Ų12786%0.85877%0.769SS**  trans-128.195.2163.3-153.70000109.9
704V38.1Very low42.1Very low118 Ų118130.7 Ų130.772%0.71577%0.774SS**PPolyproline II helixtrans-66.9144.7-178.71780000110.1M706V704-M706 PolarHBondContact O-N 2.72Å
705P38.1Very low44.3Very low106 Ų106129.7 Ų129.769%0.68875%0.751SS**PPolyproline II helixtrans-57.5120.8176.4-24.434.3000111.9P707P705-P707 VanDerWaalsContact O-CD 3.26Å; P705-P707 WeakPolarHBondContact O-CD 3.38Å
706M39Very low45.9Very low156 Ų156126 Ų12677%0.76873%0.728SS**PPolyproline II helixtrans-75.9118.3180-169.767.7-175.100110.9V704V704-M706 PolarHBondContact O-N 2.72Å
707P46Very low48Very low98 Ų98123 Ų12364%0.63672%0.716SS**PPolyproline II helixtrans-80.2163.7174.3-9.728.8000111.8P705P705-P707 VanDerWaalsContact O-CD 3.26Å; P705-P707 WeakPolarHBondContact O-CD 3.38Å
708M43.8Very low50.2Low144 Ų144119.1 Ų119.171%0.70971%0.706SS**SBendtrans-59.7139.9171-67.2168.669.500111.3I196 A710I196-M708 HydrophobicContact CG2-CE 4.02Å; M708-A710 PolarHBondContact O-N 2.68Å
709Y50.3Low52.7Low130 Ų130116.5 Ų116.551%0.5168%0.681SS.*PPolyproline II helixtrans-57.5119.2-158.5-56.1-87.7000116.9R200 A676R200-Y709 PolarHBondContact NH1-O 3.08Å; R200-Y709 PolarHBondContact NH2-O 3.01Å; A676-Y709 WeakPolarHBondContact CB-OH 3.31Å
710A45.1Very low55Low95 Ų95117.3 Ų117.379%0.78567%0.667SS**PPolyproline II helixtrans-102.1143.6149.600000109.6M708M708-A710 PolarHBondContact O-N 2.68Å
711F50.3Low57.7Low191 Ų191115 Ų11584%0.83865%0.652SS**  trans-107.7131.9-179.1-103.5-90.5000111.4
712C59.8Low59.8Low128 Ų128113.9 Ų113.987%0.86564%0.635SS**PPolyproline II helixtrans-89.5119.9170.8-65.40000110.5
713K56.1Low61.9Low160 Ų160112.9 Ų112.970%0.69662%0.622SS**PPolyproline II helixtrans-78.1126.5165.7-174.6-157.7171.3-160.60108.5I715 E719K713-I715 PolarHBondContact O-N 2.95Å; K713-E719 IonicContact NZ-OE1 2.69Å
714Q61.4Low64Low186 Ų186111.8 Ų111.887%0.86960%0.603SS**PPolyproline II helixtrans-66.9126.3168.1-167.4174.715.300109.5
715I80.5Confident66Low53 Ų53108.9 Ų108.927%0.27259%0.591SS.*  trans-106.2154.4173.961.7177.3000109.7K713 E719 F720K713-I715 PolarHBondContact O-N 2.95Å; I715-E719 HydrophobicContact CB-CB 4.07Å; I715-F720 HydrophobicContact CD1-CB 3.89Å; I715-F720 HydrophobicContact CD1-CD2 4.31Å; I715-F720 HydrophobicContact CG1-CB 4.25Å
716S76.9Confident68.1Low57 Ų57108.9 Ų108.940%0.39958%0.582SS.*  trans-68.9157.6174.765.60000111.6A718 E719 F720S716-A718 PolarHBondContact O-N 3.37Å; S716-E719 VanDerWaalsContact CB-OE2 3.25Å; S716-E719 WeakPolarHBondContact CB-OE2 3.47Å; S716-E719 PolarHBondContact N-OE2 3.31Å; S716-E719 PolarHBondContact O-N 3.2Å; S716-E719 VanDerWaalsContact O-N 3.15Å; S716-E719 VanDerWaalsContact OG-CG 3.32Å; S716-E719 WeakPolarHBondContact OG-CG 3.45Å; S716-E719 PolarHBondContact OG-N 2.84Å; S716-E719 PolarHBondContact OG-OE2 3.39Å; S716-F720 PolarHBondContact O-N 3.28Å
717G79.5Confident70.2Confident56 Ų56105.4 Ų105.458%0.57757%0.573SS**Hα-helixtrans-59.9-29.4177.500000113.6E721G717-E721 PolarHBondContact O-N 3.4Å; G717-E721 VanDerWaalsContact O-N 3.1Å
718A81.3Confident72Confident76 Ų76103.8 Ų103.863%0.62856%0.564SS**Hα-helixtrans-71.6-45.7173.800000112S716 F720 E721 Q722S716-A718 PolarHBondContact O-N 3.37Å; A718-F720 VanDerWaalsContact C-N 3.28Å; A718-F720 PolarHBondContact O-N 3.3Å; A718-E721 PolarHBondContact O-N 2.74Å; A718-Q722 VanDerWaalsContact O-CB 3.29Å; A718-Q722 WeakPolarHBondContact O-CB 3.49Å; A718-Q722 PolarHBondContact O-N 3.09Å
719E83.7Confident73.8Confident73 Ų73100 Ų10034%0.34155%0.545SS..Hα-helixtrans-60.6-36.9173-74.4164.3113.500111.7K713 I715 S716 Q723K713-E719 IonicContact NZ-OE1 2.69Å; I715-E719 HydrophobicContact CB-CB 4.07Å; S716-E719 VanDerWaalsContact CB-OE2 3.25Å; S716-E719 WeakPolarHBondContact CB-OE2 3.47Å; S716-E719 PolarHBondContact N-OE2 3.31Å; S716-E719 PolarHBondContact O-N 3.2Å; S716-E719 VanDerWaalsContact O-N 3.15Å; S716-E719 VanDerWaalsContact OG-CG 3.32Å; S716-E719 WeakPolarHBondContact OG-CG 3.45Å; S716-E719 PolarHBondContact OG-N 2.84Å; S716-E719 PolarHBondContact OG-OE2 3.39Å; E719-Q723 WeakPolarHBondContact O-CB 3.3Å; E719-Q723 VanDerWaalsContact O-CG 3.27Å; E719-Q723 WeakPolarHBondContact O-CG 3.23Å; E719-Q723 PolarHBondContact O-N 3.08Å
720F80.6Confident75.4Confident109 Ų10999.7 Ų99.748%0.47855%0.546SS..Hα-helixtrans-64.6-52.3176.6174-101000112.2I715 S716 A718 Q722 Q723 K724I715-F720 HydrophobicContact CD1-CB 3.89Å; I715-F720 HydrophobicContact CD1-CD2 4.31Å; I715-F720 HydrophobicContact CG1-CB 4.25Å; S716-F720 PolarHBondContact O-N 3.28Å; A718-F720 VanDerWaalsContact C-N 3.28Å; A718-F720 PolarHBondContact O-N 3.3Å; F720-Q722 VanDerWaalsContact C-N 3.29Å; F720-Q722 PolarHBondContact O-N 2.82Å; F720-Q723 PolarHBondContact O-N 2.89Å; F720-K724 HydrophobicContact CE1-CD 3.9Å; F720-K724 HydrophobicContact CZ-CD 4.21Å; F720-K724 WeakPolarHBondContact O-CB 3.41Å; F720-K724 PolarHBondContact O-N 3.02Å
721E85.8Confident77.3Confident95 Ų9597.7 Ų97.744%0.44453%0.53SS..Hα-helixtrans-65.5-33.5178.5-71.4-62.8137.500111.9G717 A718 K724 A725G717-E721 PolarHBondContact O-N 3.4Å; G717-E721 VanDerWaalsContact O-N 3.1Å; A718-E721 PolarHBondContact O-N 2.74Å; E721-K724 IonicContact OE1-NZ 3.32Å; E721-K724 PolarHBondContact OE1-NZ 3.23Å; E721-K724 WeakPolarHBondContact OE2-CD 3.37Å; E721-K724 IonicContact OE2-NZ 3.14Å; E721-K724 PolarHBondContact OE2-NZ 3.13Å; E721-A725 WeakPolarHBondContact O-CB 3.33Å; E721-A725 PolarHBondContact O-N 3.01Å
722Q84.4Confident78.8Confident111 Ų11190.5 Ų90.552%0.51950%0.499SS..Hα-helixtrans-64.7-51.8171.8-178.2173.9-6.200111.9A718 F720 K724 A725 E726A718-Q722 VanDerWaalsContact O-CB 3.29Å; A718-Q722 WeakPolarHBondContact O-CB 3.49Å; A718-Q722 PolarHBondContact O-N 3.09Å; F720-Q722 VanDerWaalsContact C-N 3.29Å; F720-Q722 PolarHBondContact O-N 2.82Å; Q722-K724 VanDerWaalsContact C-N 3.28Å; Q722-K724 PolarHBondContact O-N 2.89Å; Q722-A725 PolarHBondContact O-N 3.29Å; Q722-A725 VanDerWaalsContact O-N 3.14Å; Q722-E726 HydrophobicContact CG-CG 4.31Å; Q722-E726 VanDerWaalsContact CG-OE1 3.29Å; Q722-E726 WeakPolarHBondContact CG-OE1 3.33Å; Q722-E726 PolarHBondContact NE2-OE1 3.13Å; Q722-E726 WeakPolarHBondContact O-CB 3.47Å; Q722-E726 WeakPolarHBondContact O-CG 3.38Å; Q722-E726 PolarHBondContact O-N 2.86Å
723Q82.4Confident79.9Confident101 Ų10187.4 Ų87.447%0.47247%0.472SS..Hα-helixtrans-62-36.2178.4-75.4179.56.400112.2E719 F720 S727E719-Q723 WeakPolarHBondContact O-CB 3.3Å; E719-Q723 VanDerWaalsContact O-CG 3.27Å; E719-Q723 WeakPolarHBondContact O-CG 3.23Å; E719-Q723 PolarHBondContact O-N 3.08Å; F720-Q723 PolarHBondContact O-N 2.89Å; Q723-S727 WeakPolarHBondContact O-CB 3.33Å; Q723-S727 PolarHBondContact O-N 3.23Å
724K80.6Confident81.3Confident105 Ų10584.6 Ų84.646%0.45746%0.461SS..Hα-helixtrans-63.9-42.4173.7175.9-176.4166.8-151.50111.7F720 E721 Q722 S728F720-K724 HydrophobicContact CE1-CD 3.9Å; F720-K724 HydrophobicContact CZ-CD 4.21Å; F720-K724 WeakPolarHBondContact O-CB 3.41Å; F720-K724 PolarHBondContact O-N 3.02Å; E721-K724 IonicContact OE1-NZ 3.32Å; E721-K724 PolarHBondContact OE1-NZ 3.23Å; E721-K724 WeakPolarHBondContact OE2-CD 3.37Å; E721-K724 IonicContact OE2-NZ 3.14Å; E721-K724 PolarHBondContact OE2-NZ 3.13Å; Q722-K724 VanDerWaalsContact C-N 3.28Å; Q722-K724 PolarHBondContact O-N 2.89Å; K724-S728 VanDerWaalsContact O-CB 3.29Å; K724-S728 WeakPolarHBondContact O-CB 3.32Å; K724-S728 PolarHBondContact O-N 3.26Å; K724-S728 VanDerWaalsContact O-N 3.14Å; K724-S728 PolarHBondContact O-OG 3.48Å
725A81.3Confident82.4Confident56 Ų5679.5 Ų79.546%0.46344%0.439SS..Hα-helixtrans-68.1-48.3174.600000112.3E721 Q722 S728 Q729E721-A725 WeakPolarHBondContact O-CB 3.33Å; E721-A725 PolarHBondContact O-N 3.01Å; Q722-A725 PolarHBondContact O-N 3.29Å; Q722-A725 VanDerWaalsContact O-N 3.14Å; A725-S728 PolarHBondContact O-N 3.39Å; A725-S728 PolarHBondContact O-OG 2.78Å; A725-S728 VanDerWaalsContact O-OG 3.1Å; A725-Q729 WeakPolarHBondContact O-CB 3.35Å; A725-Q729 PolarHBondContact O-N 2.94Å
726E82.4Confident82.5Confident106 Ų10677 Ų7750%0.49543%0.426SS..Hα-helixtrans-64.9-44.8-180-71.7175.8-176.200112.2Q722 Q729 K730Q722-E726 HydrophobicContact CG-CG 4.31Å; Q722-E726 VanDerWaalsContact CG-OE1 3.29Å; Q722-E726 WeakPolarHBondContact CG-OE1 3.33Å; Q722-E726 PolarHBondContact NE2-OE1 3.13Å; Q722-E726 WeakPolarHBondContact O-CB 3.47Å; Q722-E726 WeakPolarHBondContact O-CG 3.38Å; Q722-E726 PolarHBondContact O-N 2.86Å; E726-Q729 PolarHBondContact O-N 2.85Å; E726-K730 VanDerWaalsContact O-CB 3.22Å; E726-K730 WeakPolarHBondContact O-CB 3.37Å; E726-K730 PolarHBondContact O-N 2.8Å
727S82.6Confident82.7Confident83 Ų8378.4 Ų78.458%0.5843%0.427SS*.Hα-helixtrans-66.8-37.9178.5-1730000112.2Q723 A731Q723-S727 WeakPolarHBondContact O-CB 3.33Å; Q723-S727 PolarHBondContact O-N 3.23Å; S727-A731 VanDerWaalsContact O-CB 3.31Å; S727-A731 WeakPolarHBondContact O-CB 3.38Å; S727-A731 PolarHBondContact O-N 2.84Å
728S83.4Confident82.9Confident65 Ų6580.8 Ų80.846%0.45543%0.425SS..Hα-helixtrans-73-41.8176.757.40000111.8K724 A725 K730 A731 M732K724-S728 VanDerWaalsContact O-CB 3.29Å; K724-S728 WeakPolarHBondContact O-CB 3.32Å; K724-S728 PolarHBondContact O-N 3.26Å; K724-S728 VanDerWaalsContact O-N 3.14Å; K724-S728 PolarHBondContact O-OG 3.48Å; A725-S728 PolarHBondContact O-N 3.39Å; A725-S728 PolarHBondContact O-OG 2.78Å; A725-S728 VanDerWaalsContact O-OG 3.1Å; S728-K730 PolarHBondContact O-N 3.2Å; S728-A731 PolarHBondContact O-N 2.9Å; S728-M732 WeakPolarHBondContact O-CG 3.34Å; S728-M732 PolarHBondContact O-N 3.46Å
729Q82.2Confident82.9Confident65 Ų6578.2 Ų78.230%0.30440%0.401SS..Hα-helixtrans-60.4-46.7174.1-165-166.3-83.200111A725 E726 A731 M732 E733 I764 R767A725-Q729 WeakPolarHBondContact O-CB 3.35Å; A725-Q729 PolarHBondContact O-N 2.94Å; E726-Q729 PolarHBondContact O-N 2.85Å; Q729-A731 PolarHBondContact O-N 3.21Å; Q729-M732 PolarHBondContact O-N 3.4Å; Q729-M732 VanDerWaalsContact O-N 3.15Å; Q729-E733 WeakPolarHBondContact CG-OE1 3.29Å; Q729-E733 PolarHBondContact NE2-OE1 3.45Å; Q729-E733 WeakPolarHBondContact O-CG 3.4Å; Q729-E733 PolarHBondContact O-N 3.49Å; Q729-I764 HydrophobicContact CG-CD1 3.86Å; Q729-I764 HydrophobicContact CG-CG1 4.11Å; Q729-R767 VanDerWaalsContact NE2-NH1 3.18Å; Q729-R767 VanDerWaalsContact OE1-NH2 3.14Å
730K83.2Confident82.6Confident123 Ų12377.1 Ų77.154%0.53540%0.397SS..Hα-helixtrans-62.8-41.6178-177.2171.8176.2174.10112.6E726 S728 M732 E733 E734E726-K730 VanDerWaalsContact O-CB 3.22Å; E726-K730 WeakPolarHBondContact O-CB 3.37Å; E726-K730 PolarHBondContact O-N 2.8Å; S728-K730 PolarHBondContact O-N 3.2Å; K730-M732 VanDerWaalsContact C-N 3.28Å; K730-M732 PolarHBondContact O-N 3.4Å; K730-E733 PolarHBondContact O-N 3.21Å; K730-E734 WeakPolarHBondContact CE-OE1 3.46Å; K730-E734 WeakPolarHBondContact O-CG 3.35Å; K730-E734 PolarHBondContact O-N 3.13Å
731A85.1Confident82.5Confident53 Ų5376.5 Ų76.544%0.43840%0.403SS..Hα-helixtrans-62.7-35.3174.700000112.3S727 S728 Q729 L735S727-A731 VanDerWaalsContact O-CB 3.31Å; S727-A731 WeakPolarHBondContact O-CB 3.38Å; S727-A731 PolarHBondContact O-N 2.84Å; S728-A731 PolarHBondContact O-N 2.9Å; Q729-A731 PolarHBondContact O-N 3.21Å; A731-L735 WeakPolarHBondContact O-CB 3.42Å; A731-L735 PolarHBondContact O-N 2.81Å
732M82.3Confident82Confident39 Ų3974.2 Ų74.219%0.19239%0.393CS..Hα-helixtrans-71.8-34.9173.6-67-51-51.200112.7S728 Q729 K730 L735 L736 F757 Y761 I764S728-M732 WeakPolarHBondContact O-CG 3.34Å; S728-M732 PolarHBondContact O-N 3.46Å; Q729-M732 PolarHBondContact O-N 3.4Å; Q729-M732 VanDerWaalsContact O-N 3.15Å; K730-M732 VanDerWaalsContact C-N 3.28Å; K730-M732 PolarHBondContact O-N 3.4Å; M732-L735 HydrophobicContact CE-CD2 4.38Å; M732-L735 PolarHBondContact O-N 3.19Å; M732-L736 PolarHBondContact O-N 3.36Å; M732-F757 HydrophobicContact CB-CZ 4.39Å; M732-F757 HydrophobicContact CE-CD2 4.26Å; M732-F757 HydrophobicContact CE-CE2 3.52Å; M732-F757 HydrophobicContact CE-CZ 3.98Å; M732-F757 WeakPolarHBondContact O-CE2 3.46Å; M732-F757 VanDerWaalsContact O-CZ 3.29Å; M732-F757 WeakPolarHBondContact O-CZ 3.35Å; M732-Y761 HydrophobicContact CE-CD2 3.58Å; M732-Y761 HydrophobicContact CE-CE1 4.45Å; M732-Y761 HydrophobicContact CE-CE2 3.49Å; M732-Y761 VanDerWaalsContact CE-CE2 3.49Å; M732-Y761 HydrophobicContact CE-CG 4.13Å; M732-I764 HydrophobicContact CB-CD1 3.68Å; M732-I764 HydrophobicContact CG-CD1 4.28Å
733E82.6Confident81.3Confident64 Ų6477.3 Ų77.330%0.29941%0.408SS..Hα-helixtrans-64.8-47.2172-72.9169.2-162.700111.4Q729 K730 L735 L736 E737 I764Q729-E733 WeakPolarHBondContact CG-OE1 3.29Å; Q729-E733 PolarHBondContact NE2-OE1 3.45Å; Q729-E733 WeakPolarHBondContact O-CG 3.4Å; Q729-E733 PolarHBondContact O-N 3.49Å; K730-E733 PolarHBondContact O-N 3.21Å; E733-L735 VanDerWaalsContact C-N 3.31Å; E733-L735 PolarHBondContact O-N 2.94Å; E733-L736 WeakPolarHBondContact O-CA 3.3Å; E733-L736 WeakPolarHBondContact O-CB 3.14Å; E733-L736 PolarHBondContact O-N 3.41Å; E733-L736 VanDerWaalsContact O-N 3.08Å; E733-E737 WeakPolarHBondContact O-CG 3.27Å; E733-E737 PolarHBondContact O-N 2.94Å; E733-I764 HydrophobicContact CG-CG2 3.52Å
734E84.9Confident80.9Confident100 Ų10079.7 Ų79.747%0.46742%0.424SS..Hα-helixtrans-59.2-39.8173.6-72.6178.9-165.800111.5K730 L736 E737 I738K730-E734 WeakPolarHBondContact CE-OE1 3.46Å; K730-E734 WeakPolarHBondContact O-CG 3.35Å; K730-E734 PolarHBondContact O-N 3.13Å; E734-L736 VanDerWaalsContact C-N 3.35Å; E734-L736 PolarHBondContact O-N 3.39Å; E734-E737 WeakPolarHBondContact O-CB 3.05Å; E734-E737 PolarHBondContact O-N 3.34Å; E734-I738 VanDerWaalsContact O-CG1 3.28Å; E734-I738 WeakPolarHBondContact O-CG1 3.39Å; E734-I738 PolarHBondContact O-N 2.69Å
735L84.2Confident80.4Confident79 Ų7976.1 Ų76.141%0.41441%0.41SS..Hα-helixtrans-66.3-34.3174.5-169.2145.7000112.5A731 M732 E733 L739 F757A731-L735 WeakPolarHBondContact O-CB 3.42Å; A731-L735 PolarHBondContact O-N 2.81Å; M732-L735 HydrophobicContact CE-CD2 4.38Å; M732-L735 PolarHBondContact O-N 3.19Å; E733-L735 VanDerWaalsContact C-N 3.31Å; E733-L735 PolarHBondContact O-N 2.94Å; L735-L739 HydrophobicContact CD2-CD1 3.69Å; L735-L739 HydrophobicContact CD2-CG 4.19Å; L735-L739 WeakPolarHBondContact O-CB 3.41Å; L735-L739 WeakPolarHBondContact O-CG 3.5Å; L735-L739 PolarHBondContact O-N 2.65Å; L735-F757 HydrophobicContact CD2-CD2 3.74Å; L735-F757 HydrophobicContact CD2-CE2 3.68Å
736L83.2Confident80.4Confident0 Ų078 Ų780%042%0.415CS..Hα-helixtrans-67.6-40.4171.3-176.857.2000111.5M732 E733 E734 L739 L740 L754 F757 Y765 R768M732-L736 PolarHBondContact O-N 3.36Å; E733-L736 WeakPolarHBondContact O-CA 3.3Å; E733-L736 WeakPolarHBondContact O-CB 3.14Å; E733-L736 PolarHBondContact O-N 3.41Å; E733-L736 VanDerWaalsContact O-N 3.08Å; E734-L736 VanDerWaalsContact C-N 3.35Å; E734-L736 PolarHBondContact O-N 3.39Å; L736-L739 PolarHBondContact O-N 3.34Å; L736-L740 HydrophobicContact CD1-CD1 4.16Å; L736-L740 HydrophobicContact CD1-CG 4.41Å; L736-L740 HydrophobicContact CG-CD1 4.05Å; L736-L740 WeakPolarHBondContact O-CB 3.42Å; L736-L740 WeakPolarHBondContact O-CD1 3.29Å; L736-L740 VanDerWaalsContact O-CG 3.23Å; L736-L740 WeakPolarHBondContact O-CG 3.28Å; L736-L740 PolarHBondContact O-N 2.88Å; L736-L740 VanDerWaalsContact O-N 3.09Å; L736-L754 HydrophobicContact CD1-CD1 3.51Å; L736-F757 HydrophobicContact CB-CE1 4.13Å; L736-F757 HydrophobicContact CB-CE2 3.91Å; L736-F757 HydrophobicContact CB-CZ 3.69Å; L736-F757 HydrophobicContact CD1-CD1 3.99Å; L736-F757 HydrophobicContact CD1-CE1 4.11Å; L736-F757 HydrophobicContact CD1-CG 4.24Å; L736-F757 HydrophobicContact CD1-CZ 4.4Å; L736-F757 HydrophobicContact CD2-CE1 3.96Å; L736-F757 HydrophobicContact CD2-CZ 4.3Å; L736-F757 HydrophobicContact CG-CE1 4.29Å; L736-F757 HydrophobicContact CG-CZ 4.34Å; L736-Y765 HydrophobicContact CD1-CD2 4.03Å; L736-Y765 HydrophobicContact CD1-CE2 4.3Å; L736-Y765 HydrophobicContact CD2-CD2 4.23Å; L736-R768 HydrophobicContact CD2-CB 3.97Å; L736-R768 HydrophobicContact CD2-CG 4.49Å
737E81.5Confident80.1Confident88 Ų8878.3 Ų78.341%0.41142%0.417SS..Hα-helixtrans-60.6-45.3174.5-51.8-131.9138.500111.2E733 E734 L740 T741 R768E733-E737 WeakPolarHBondContact O-CG 3.27Å; E733-E737 PolarHBondContact O-N 2.94Å; E734-E737 WeakPolarHBondContact O-CB 3.05Å; E734-E737 PolarHBondContact O-N 3.34Å; E737-L740 PolarHBondContact O-N 3.11Å; E737-T741 WeakPolarHBondContact O-CB 3.4Å; E737-T741 WeakPolarHBondContact O-CG2 3.39Å; E737-T741 PolarHBondContact O-N 3.48Å; E737-T741 PolarHBondContact O-OG1 2.83Å; E737-R768 VanDerWaalsContact CD-NH2 3.25Å; E737-R768 IonicContact OE1-CZ 2.69Å; E737-R768 IonicContact OE1-NE 2.74Å; E737-R768 PolarHBondContact OE1-NE 2.91Å; E737-R768 IonicContact OE1-NH2 3.95Å; E737-R768 PolarHBondContact OE1-NH2 3.06Å; E737-R768 IonicContact OE2-NH2 3.38Å
738I84Confident79.8Confident105 Ų10581.6 Ų81.654%0.53842%0.421SS..Hα-helixtrans-63.1-46177.4-67.8162.9000110.7E734 L740 T741 D742E734-I738 VanDerWaalsContact O-CG1 3.28Å; E734-I738 WeakPolarHBondContact O-CG1 3.39Å; E734-I738 PolarHBondContact O-N 2.69Å; I738-L740 PolarHBondContact O-N 3.48Å; I738-T741 PolarHBondContact O-N 2.81Å; I738-D742 WeakPolarHBondContact O-CB 3.25Å; I738-D742 PolarHBondContact O-N 3.36Å
739L81.5Confident79.6Confident23 Ų2381.1 Ų81.112%0.1241%0.413CS..Hα-helixtrans-61.6-25.4176.4-76.9177.1000113.8L735 L736 L745 R750 K753 F757L735-L739 HydrophobicContact CD2-CD1 3.69Å; L735-L739 HydrophobicContact CD2-CG 4.19Å; L735-L739 WeakPolarHBondContact O-CB 3.41Å; L735-L739 WeakPolarHBondContact O-CG 3.5Å; L735-L739 PolarHBondContact O-N 2.65Å; L736-L739 PolarHBondContact O-N 3.34Å; L739-L745 HydrophobicContact CD2-CD1 4.25Å; L739-R750 WeakPolarHBondContact O-CD 3.29Å; L739-R750 WeakPolarHBondContact O-CG 3.43Å; L739-K753 HydrophobicContact CD2-CB 3.93Å; L739-K753 HydrophobicContact CD2-CD 3.85Å; L739-F757 HydrophobicContact CD1-CB 4.32Å; L739-F757 HydrophobicContact CD1-CD2 3.9Å; L739-F757 HydrophobicContact CD1-CG 4.48Å
740L76.9Confident79.6Confident50 Ų5080.7 Ų80.726%0.26241%0.408SS..Hα-helixtrans-87.4-33.4176.8-69.7165.6000113L736 E737 I738 L754 R768 F769L736-L740 HydrophobicContact CD1-CD1 4.16Å; L736-L740 HydrophobicContact CD1-CG 4.41Å; L736-L740 HydrophobicContact CG-CD1 4.05Å; L736-L740 WeakPolarHBondContact O-CB 3.42Å; L736-L740 WeakPolarHBondContact O-CD1 3.29Å; L736-L740 VanDerWaalsContact O-CG 3.23Å; L736-L740 WeakPolarHBondContact O-CG 3.28Å; L736-L740 PolarHBondContact O-N 2.88Å; L736-L740 VanDerWaalsContact O-N 3.09Å; E737-L740 PolarHBondContact O-N 3.11Å; I738-L740 PolarHBondContact O-N 3.48Å; L740-L754 HydrophobicContact CD2-CD1 3.77Å; L740-L754 HydrophobicContact CD2-CD2 3.89Å; L740-L754 HydrophobicContact CG-CD1 4.17Å; L740-R768 VanDerWaalsContact CD1-NH1 3.34Å; L740-F769 HydrophobicContact CD1-CE2 3.79Å; L740-F769 HydrophobicContact CD1-CZ 3.59Å; L740-F769 HydrophobicContact CD2-CE2 4.27Å; L740-F769 HydrophobicContact CD2-CZ 3.85Å; L740-F769 HydrophobicContact CG-CZ 4.39Å
741T77.4Confident79.4Confident96 Ų9682.5 Ų82.559%0.58941%0.412SS*.Hα-helixtrans-100-20.6-172.455.70000114.7E737 I738 Q743E737-T741 WeakPolarHBondContact O-CB 3.4Å; E737-T741 WeakPolarHBondContact O-CG2 3.39Å; E737-T741 PolarHBondContact O-N 3.48Å; E737-T741 PolarHBondContact O-OG1 2.83Å; I738-T741 PolarHBondContact O-N 2.81Å; T741-Q743 PolarHBondContact O-N 2.93Å; T741-Q743 VanDerWaalsContact O-N 3.12Å
742D76.7Confident79.4Confident47 Ų4785.5 Ų85.525%0.25142%0.415SS..  trans-64.6112.2178.8178.914.9000111.3I738 N744 L745 R750I738-D742 WeakPolarHBondContact O-CB 3.25Å; I738-D742 PolarHBondContact O-N 3.36Å; D742-N744 VanDerWaalsContact C-N 3.32Å; D742-N744 WeakPolarHBondContact OD1-CB 3.48Å; D742-N744 PolarHBondContact OD1-N 3.21Å; D742-N744 PolarHBondContact OD1-ND2 3.38Å; D742-L745 HydrophobicContact CB-CD1 4.38Å; D742-L745 WeakPolarHBondContact OD2-CG 3.33Å; D742-R750 PolarHBondContact O-NE 2.91Å; D742-R750 PolarHBondContact O-NH2 3Å
743Q69.9Low79.4Confident176 Ų17688.3 Ų88.382%0.82243%0.426SS*.THydrogen-bonded Turntrans-78.5-14.7-178.3-59.6-175.56.600113T741 L745T741-Q743 PolarHBondContact O-N 2.93Å; T741-Q743 VanDerWaalsContact O-N 3.12Å; Q743-L745 VanDerWaalsContact C-N 3.29Å; Q743-L745 PolarHBondContact O-N 3.19Å
744N73.3Confident79.4Confident150 Ų15086.8 Ų86.880%0.80242%0.42SS*.THydrogen-bonded Turntrans-79-11.6-177.3-53.7-82.4000113D742D742-N744 VanDerWaalsContact C-N 3.32Å; D742-N744 WeakPolarHBondContact OD1-CB 3.48Å; D742-N744 PolarHBondContact OD1-N 3.21Å; D742-N744 PolarHBondContact OD1-ND2 3.38Å
745L70.1Confident79.3Confident31 Ų3189.3 Ų89.316%0.16243%0.429CS..SBendtrans-84.9124.6174.9-65.2171.8000111.7L739 D742 Q743 E747 R750 K753L739-L745 HydrophobicContact CD2-CD1 4.25Å; D742-L745 HydrophobicContact CB-CD1 4.38Å; D742-L745 WeakPolarHBondContact OD2-CG 3.33Å; Q743-L745 VanDerWaalsContact C-N 3.29Å; Q743-L745 PolarHBondContact O-N 3.19Å; L745-E747 PolarHBondContact O-N 3.15Å; L745-R750 HydrophobicContact CB-CB 4.19Å; L745-R750 VanDerWaalsContact O-CZ 3.28Å; L745-R750 PolarHBondContact O-NH1 3.31Å; L745-R750 PolarHBondContact O-NH2 3.45Å; L745-K753 HydrophobicContact CD1-CD 4.39Å
746T80.8Confident79.3Confident95 Ų9591 Ų9158%0.58344%0.435SS*.  trans-53.2135165.9-49.90000110.2K748 D749 R750T746-K748 HydrophobicContact CG2-CB 4.41Å; T746-K748 PolarHBondContact O-N 3.33Å; T746-K748 VanDerWaalsContact O-N 3.08Å; T746-D749 PolarHBondContact O-N 2.83Å; T746-R750 PolarHBondContact O-N 3.3Å
747E75.6Confident79.4Confident112 Ų11291.4 Ų91.452%0.52344%0.437SS..Hα-helixtrans-51.3-39.8-176.6-81.7-159.6-147.100114.1L745 D749 R750 R751L745-E747 PolarHBondContact O-N 3.15Å; E747-D749 PolarHBondContact O-N 3.28Å; E747-R750 PolarHBondContact O-N 3.38Å; E747-R751 WeakPolarHBondContact O-CB 3.46Å; E747-R751 WeakPolarHBondContact O-CG 3.22Å; E747-R751 PolarHBondContact O-N 3.02Å; E747-R751 IonicContact OE2-CZ 2.94Å; E747-R751 IonicContact OE2-NE 3.59Å; E747-R751 PolarHBondContact OE2-NE 3.41Å; E747-R751 IonicContact OE2-NH2 3.98Å; E747-R751 PolarHBondContact OE2-NH2 3.44Å
748K76.3Confident79.6Confident153 Ų15391.5 Ų91.567%0.66544%0.437SS*.Hα-helixtrans-57-37.2178.9-167173.9-174.4176.30111.7T746 K752T746-K748 HydrophobicContact CG2-CB 4.41Å; T746-K748 PolarHBondContact O-N 3.33Å; T746-K748 VanDerWaalsContact O-N 3.08Å; K748-K752 WeakPolarHBondContact O-CG 3.21Å; K748-K752 PolarHBondContact O-N 3.13Å
749D80Confident79.7Confident55 Ų5595.3 Ų95.329%0.29445%0.45SS..Hα-helixtrans-93.8-30.3-177-58.6-59.4000112.4T746 E747 R751 K752 K753T746-D749 PolarHBondContact O-N 2.83Å; E747-D749 PolarHBondContact O-N 3.28Å; D749-R751 VanDerWaalsContact C-N 3.32Å; D749-R751 PolarHBondContact O-N 3.05Å; D749-K752 PolarHBondContact O-N 2.79Å; D749-K752 WeakPolarHBondContact OD1-CD 3.37Å; D749-K752 VanDerWaalsContact OD1-CE 3.3Å; D749-K752 WeakPolarHBondContact OD1-CE 3.42Å; D749-K752 IonicContact OD1-NZ 2.68Å; D749-K752 PolarHBondContact OD1-NZ 2.84Å; D749-K753 WeakPolarHBondContact O-CG 3.39Å; D749-K753 PolarHBondContact O-N 2.88Å
750R82.1Confident79.7Confident55 Ų5599.5 Ų99.521%0.20847%0.469CS..Hα-helixtrans-56-48164.5-163.4-174.5-67.4102.86110.2L739 D742 L745 T746 E747 K752 K753 L754L739-R750 WeakPolarHBondContact O-CD 3.29Å; L739-R750 WeakPolarHBondContact O-CG 3.43Å; D742-R750 PolarHBondContact O-NE 2.91Å; D742-R750 PolarHBondContact O-NH2 3Å; L745-R750 HydrophobicContact CB-CB 4.19Å; L745-R750 VanDerWaalsContact O-CZ 3.28Å; L745-R750 PolarHBondContact O-NH1 3.31Å; L745-R750 PolarHBondContact O-NH2 3.45Å; T746-R750 PolarHBondContact O-N 3.3Å; E747-R750 PolarHBondContact O-N 3.38Å; R750-K752 PolarHBondContact O-N 3.01Å; R750-K753 PolarHBondContact O-N 2.94Å; R750-L754 VanDerWaalsContact O-CB 3.27Å; R750-L754 WeakPolarHBondContact O-CB 3.16Å; R750-L754 PolarHBondContact O-N 3.08Å
751R78.4Confident79.9Confident161 Ų161101.8 Ų101.861%0.60848%0.475SS*.Hα-helixtrans-64.1-33.6176.8-68.6170.2-167.1-117.810113.1E747 D749 K755E747-R751 WeakPolarHBondContact O-CB 3.46Å; E747-R751 WeakPolarHBondContact O-CG 3.22Å; E747-R751 PolarHBondContact O-N 3.02Å; E747-R751 IonicContact OE2-CZ 2.94Å; E747-R751 IonicContact OE2-NE 3.59Å; E747-R751 PolarHBondContact OE2-NE 3.41Å; E747-R751 IonicContact OE2-NH2 3.98Å; E747-R751 PolarHBondContact OE2-NH2 3.44Å; D749-R751 VanDerWaalsContact C-N 3.32Å; D749-R751 PolarHBondContact O-N 3.05Å; R751-K755 WeakPolarHBondContact O-CG 3.48Å; R751-K755 PolarHBondContact O-N 3.33Å
752K85Confident80.1Confident117 Ų117100.2 Ų100.251%0.50947%0.466SS..Hα-helixtrans-67-54171.8-73172.8-165165.50111.5K748 D749 R750 L754 K755 Q756K748-K752 WeakPolarHBondContact O-CG 3.21Å; K748-K752 PolarHBondContact O-N 3.13Å; D749-K752 PolarHBondContact O-N 2.79Å; D749-K752 WeakPolarHBondContact OD1-CD 3.37Å; D749-K752 VanDerWaalsContact OD1-CE 3.3Å; D749-K752 WeakPolarHBondContact OD1-CE 3.42Å; D749-K752 IonicContact OD1-NZ 2.68Å; D749-K752 PolarHBondContact OD1-NZ 2.84Å; R750-K752 PolarHBondContact O-N 3.01Å; K752-L754 VanDerWaalsContact C-N 3.29Å; K752-L754 PolarHBondContact O-N 3.24Å; K752-K755 PolarHBondContact O-N 3.19Å; K752-Q756 PolarHBondContact O-N 3.42Å
753K82.5Confident80.1Confident98 Ų98103 Ų10343%0.42648%0.481SS..Hα-helixtrans-60.2-39.4-178.6-72.4-175.9177.2-176.80111.6L739 L745 D749 R750 Q756 F757L739-K753 HydrophobicContact CD2-CB 3.93Å; L739-K753 HydrophobicContact CD2-CD 3.85Å; L745-K753 HydrophobicContact CD1-CD 4.39Å; D749-K753 WeakPolarHBondContact O-CG 3.39Å; D749-K753 PolarHBondContact O-N 2.88Å; R750-K753 PolarHBondContact O-N 2.94Å; K753-Q756 PolarHBondContact O-N 3.31Å; K753-F757 WeakPolarHBondContact O-CB 3.33Å; K753-F757 PolarHBondContact O-N 3.18Å
754L84.1Confident80.6Confident31 Ų3195.6 Ų95.616%0.16245%0.447CS..Hα-helixtrans-64.8-42.3176.5-164.768.8000112.4L736 L740 R750 K752 Q756 F757 Q758 Y765L736-L754 HydrophobicContact CD1-CD1 3.51Å; L740-L754 HydrophobicContact CD2-CD1 3.77Å; L740-L754 HydrophobicContact CD2-CD2 3.89Å; L740-L754 HydrophobicContact CG-CD1 4.17Å; R750-L754 VanDerWaalsContact O-CB 3.27Å; R750-L754 WeakPolarHBondContact O-CB 3.16Å; R750-L754 PolarHBondContact O-N 3.08Å; K752-L754 VanDerWaalsContact C-N 3.29Å; K752-L754 PolarHBondContact O-N 3.24Å; L754-Q756 VanDerWaalsContact C-N 3.34Å; L754-F757 PolarHBondContact O-N 3.49Å; L754-Q758 WeakPolarHBondContact O-CB 3.39Å; L754-Q758 PolarHBondContact O-N 3.28Å; L754-Y765 HydrophobicContact CD1-CE2 3.81Å; L754-Y765 HydrophobicContact CD2-CE2 4.41Å; L754-Y765 HydrophobicContact CG-CE2 3.85Å
755K82.4Confident81Confident153 Ų15390.2 Ų90.267%0.66542%0.416SS*.Hα-helixtrans-66.1-34.8173-76.8-175174.9-168.40112.9R751 K752 K759R751-K755 WeakPolarHBondContact O-CG 3.48Å; R751-K755 PolarHBondContact O-N 3.33Å; K752-K755 PolarHBondContact O-N 3.19Å; K755-K759 WeakPolarHBondContact O-CB 3.38Å; K755-K759 PolarHBondContact O-N 3.08Å
756Q84.3Confident81.4Confident116 Ų11691.7 Ų91.754%0.54243%0.428SS..Hα-helixtrans-66.4-46.1174.1177.8172.8-6.400111K752 K753 L754 K759 Q760K752-Q756 PolarHBondContact O-N 3.42Å; K753-Q756 PolarHBondContact O-N 3.31Å; L754-Q756 VanDerWaalsContact C-N 3.34Å; Q756-K759 PolarHBondContact O-N 3.18Å; Q756-Q760 VanDerWaalsContact CG-OE1 3.23Å; Q756-Q760 WeakPolarHBondContact O-CG 3.46Å; Q756-Q760 PolarHBondContact O-N 2.92Å
757F85.4Confident81.1Confident8 Ų893.6 Ų93.64%0.03543%0.425CS..Hα-helixtrans-56.5-51.2172.9-171.6-70.1000111.1M732 L735 L736 L739 K753 L754 K759 Q760 Y761 I764 Y765M732-F757 HydrophobicContact CB-CZ 4.39Å; M732-F757 HydrophobicContact CE-CD2 4.26Å; M732-F757 HydrophobicContact CE-CE2 3.52Å; M732-F757 HydrophobicContact CE-CZ 3.98Å; M732-F757 WeakPolarHBondContact O-CE2 3.46Å; M732-F757 VanDerWaalsContact O-CZ 3.29Å; M732-F757 WeakPolarHBondContact O-CZ 3.35Å; L735-F757 HydrophobicContact CD2-CD2 3.74Å; L735-F757 HydrophobicContact CD2-CE2 3.68Å; L736-F757 HydrophobicContact CB-CE1 4.13Å; L736-F757 HydrophobicContact CB-CE2 3.91Å; L736-F757 HydrophobicContact CB-CZ 3.69Å; L736-F757 HydrophobicContact CD1-CD1 3.99Å; L736-F757 HydrophobicContact CD1-CE1 4.11Å; L736-F757 HydrophobicContact CD1-CG 4.24Å; L736-F757 HydrophobicContact CD1-CZ 4.4Å; L736-F757 HydrophobicContact CD2-CE1 3.96Å; L736-F757 HydrophobicContact CD2-CZ 4.3Å; L736-F757 HydrophobicContact CG-CE1 4.29Å; L736-F757 HydrophobicContact CG-CZ 4.34Å; L739-F757 HydrophobicContact CD1-CB 4.32Å; L739-F757 HydrophobicContact CD1-CD2 3.9Å; L739-F757 HydrophobicContact CD1-CG 4.48Å; K753-F757 WeakPolarHBondContact O-CB 3.33Å; K753-F757 PolarHBondContact O-N 3.18Å; L754-F757 PolarHBondContact O-N 3.49Å; F757-K759 PolarHBondContact O-N 3.18Å; F757-Q760 PolarHBondContact O-N 3Å; F757-Y761 PolarHBondContact O-N 3.15Å; F757-I764 HydrophobicContact CE1-CG2 4.47Å; F757-I764 HydrophobicContact CZ-CG2 4.4Å; F757-Y765 HydrophobicContact CD1-CD2 4.2Å
758Q84.3Confident80.9Confident89 Ų8992.8 Ų92.842%0.41642%0.417SS..Hα-helixtrans-56.6-35.3178-176.3-178.919.400112.6L754 P762 Y765L754-Q758 WeakPolarHBondContact O-CB 3.39Å; L754-Q758 PolarHBondContact O-N 3.28Å; Q758-P762 WeakPolarHBondContact O-CA 3.23Å; Q758-Y765 HydrophobicContact CB-CD1 4.16Å; Q758-Y765 HydrophobicContact CB-CD2 3.96Å; Q758-Y765 HydrophobicContact CB-CE1 4.38Å; Q758-Y765 HydrophobicContact CB-CE2 4.18Å; Q758-Y765 HydrophobicContact CB-CG 3.95Å; Q758-Y765 HydrophobicContact CG-CD1 3.65Å; Q758-Y765 HydrophobicContact CG-CD2 4.36Å; Q758-Y765 HydrophobicContact CG-CE1 3.9Å; Q758-Y765 HydrophobicContact CG-CG 3.89Å
759K86.3Confident80.8Confident185 Ų18589.6 Ų89.680%0.80440%0.404SS*.Hα-helixtrans-74.5-30.5176.9-174.4179.4177.1-173.50113.2K755 Q756 F757K755-K759 WeakPolarHBondContact O-CB 3.38Å; K755-K759 PolarHBondContact O-N 3.08Å; Q756-K759 PolarHBondContact O-N 3.18Å; F757-K759 PolarHBondContact O-N 3.18Å
760Q81.3Confident79.9Confident111 Ų11191.9 Ų91.952%0.51942%0.421SS..Hα-helixtrans-92.5-30.7-176.5-67-176.7-83.700113.2Q756 F757Q756-Q760 VanDerWaalsContact CG-OE1 3.23Å; Q756-Q760 WeakPolarHBondContact O-CG 3.46Å; Q756-Q760 PolarHBondContact O-N 2.92Å; F757-Q760 PolarHBondContact O-N 3Å
761Y82.3Confident78.3Confident98 Ų9894.6 Ų94.638%0.38445%0.449SS..  trans-135.962.1-175.3-54.6-75.8000111.4M732 F757 D763 I764 Y765M732-Y761 HydrophobicContact CE-CD2 3.58Å; M732-Y761 HydrophobicContact CE-CE1 4.45Å; M732-Y761 HydrophobicContact CE-CE2 3.49Å; M732-Y761 VanDerWaalsContact CE-CE2 3.49Å; M732-Y761 HydrophobicContact CE-CG 4.13Å; F757-Y761 PolarHBondContact O-N 3.15Å; Y761-D763 VanDerWaalsContact C-N 3.32Å; Y761-D763 PolarHBondContact O-N 3.3Å; Y761-I764 PolarHBondContact O-N 3.24Å; Y761-Y765 PolarHBondContact O-N 3.46Å
762P80.2Confident76.4Confident63 Ų6393.7 Ų93.741%0.40947%0.465SS..Hα-helixtrans-60.7-38.9-171.924.9-34.5000112.8Q758 I764 Y765 S766Q758-P762 WeakPolarHBondContact O-CA 3.23Å; P762-I764 VanDerWaalsContact C-N 3.3Å; P762-I764 PolarHBondContact O-N 2.82Å; P762-Y765 PolarHBondContact O-N 3.28Å; P762-S766 WeakPolarHBondContact O-CB 3.48Å; P762-S766 PolarHBondContact O-N 3.07Å; P762-S766 PolarHBondContact O-OG 3.25Å; P762-S766 VanDerWaalsContact O-OG 3.11Å
763D77.1Confident74.3Confident107 Ų10791 Ų9157%0.57247%0.471SS*.Hα-helixtrans-73.8-19.5-173.9-46.3-63.6000113.8Y761 S766 R767Y761-D763 VanDerWaalsContact C-N 3.32Å; Y761-D763 PolarHBondContact O-N 3.3Å; D763-S766 WeakPolarHBondContact CA-OG 3.27Å; D763-S766 PolarHBondContact O-OG 3.2Å; D763-R767 WeakPolarHBondContact O-CG 3.23Å; D763-R767 PolarHBondContact O-NE 2.8Å
764I81.1Confident72.1Confident19 Ų1994.4 Ų94.410%0.09749%0.488CS..Hα-helixtrans-86.7-41.8173.6-58.2-178.4000108.9Q729 M732 E733 F757 Y761 P762 R767 R768Q729-I764 HydrophobicContact CG-CD1 3.86Å; Q729-I764 HydrophobicContact CG-CG1 4.11Å; M732-I764 HydrophobicContact CB-CD1 3.68Å; M732-I764 HydrophobicContact CG-CD1 4.28Å; E733-I764 HydrophobicContact CG-CG2 3.52Å; F757-I764 HydrophobicContact CE1-CG2 4.47Å; F757-I764 HydrophobicContact CZ-CG2 4.4Å; Y761-I764 PolarHBondContact O-N 3.24Å; P762-I764 VanDerWaalsContact C-N 3.3Å; P762-I764 PolarHBondContact O-N 2.82Å; I764-R767 PolarHBondContact O-N 3.33Å; I764-R768 PolarHBondContact O-N 3.02Å
765Y81.9Confident69.7Low38 Ų38100 Ų10015%0.14951%0.513CS..Hα-helixtrans-62.5-44.1176.4-171.1-86.4000112.5L736 L754 F757 Q758 Y761 P762 R767 R768 F769L736-Y765 HydrophobicContact CD1-CD2 4.03Å; L736-Y765 HydrophobicContact CD1-CE2 4.3Å; L736-Y765 HydrophobicContact CD2-CD2 4.23Å; L754-Y765 HydrophobicContact CD1-CE2 3.81Å; L754-Y765 HydrophobicContact CD2-CE2 4.41Å; L754-Y765 HydrophobicContact CG-CE2 3.85Å; F757-Y765 HydrophobicContact CD1-CD2 4.2Å; Q758-Y765 HydrophobicContact CB-CD1 4.16Å; Q758-Y765 HydrophobicContact CB-CD2 3.96Å; Q758-Y765 HydrophobicContact CB-CE1 4.38Å; Q758-Y765 HydrophobicContact CB-CE2 4.18Å; Q758-Y765 HydrophobicContact CB-CG 3.95Å; Q758-Y765 HydrophobicContact CG-CD1 3.65Å; Q758-Y765 HydrophobicContact CG-CD2 4.36Å; Q758-Y765 HydrophobicContact CG-CE1 3.9Å; Q758-Y765 HydrophobicContact CG-CG 3.89Å; Y761-Y765 PolarHBondContact O-N 3.46Å; P762-Y765 PolarHBondContact O-N 3.28Å; Y765-R767 VanDerWaalsContact C-N 3.33Å; Y765-R767 PolarHBondContact O-N 3.37Å; Y765-R768 PolarHBondContact O-N 3.37Å; Y765-F769 HydrophobicContact CD1-CD2 4.31Å; Y765-F769 HydrophobicContact CD2-CD2 4.22Å; Y765-F769 HydrophobicContact CE1-CB 4.28Å; Y765-F769 AromaticContact CE1-CD2 3.88Å; Y765-F769 HydrophobicContact CE1-CD2 3.88Å; Y765-F769 HydrophobicContact CE1-CG 4.42Å; Y765-F769 AromaticContact CE2-CD2 3.78Å; Y765-F769 HydrophobicContact CE2-CD2 3.78Å; Y765-F769 AromaticContact CE2-CE2 3.89Å; Y765-F769 HydrophobicContact CE2-CE2 3.89Å; Y765-F769 HydrophobicContact CG-CD2 4.47Å; Y765-F769 AromaticContact CZ-CD2 3.59Å; Y765-F769 AromaticContact CZ-CE2 4Å; Y765-F769 PolarHBondContact O-N 2.92Å
766S77.9Confident67.6Low61 Ų6197.9 Ų97.943%0.42752%0.518SS..Hα-helixtrans-68.1-28.7179.663.30000113.4P762 D763 F769 P770P762-S766 WeakPolarHBondContact O-CB 3.48Å; P762-S766 PolarHBondContact O-N 3.07Å; P762-S766 PolarHBondContact O-OG 3.25Å; P762-S766 VanDerWaalsContact O-OG 3.11Å; D763-S766 WeakPolarHBondContact CA-OG 3.27Å; D763-S766 PolarHBondContact O-OG 3.2Å; S766-F769 CarbonylContact O-C 3.47Å; S766-P770 WeakPolarHBondContact O-CA 3.26Å
767R75Confident64.9Low135 Ų135102.1 Ų102.151%0.50954%0.535SS..Hα-helixtrans-70.1-39172.2-83.8-177.7-85.3175.6-3.2112.5Q729 D763 I764 Y765Q729-R767 VanDerWaalsContact NE2-NH1 3.18Å; Q729-R767 VanDerWaalsContact OE1-NH2 3.14Å; D763-R767 WeakPolarHBondContact O-CG 3.23Å; D763-R767 PolarHBondContact O-NE 2.8Å; I764-R767 PolarHBondContact O-N 3.33Å; Y765-R767 VanDerWaalsContact C-N 3.33Å; Y765-R767 PolarHBondContact O-N 3.37Å
768R72.3Confident62.3Low96 Ų96108.4 Ų108.436%0.36257%0.574SS.*Hα-helixtrans-83.1-20.7178.1-153.4175.3-176.1-71.60.3113.6L736 E737 L740 I764 Y765L736-R768 HydrophobicContact CD2-CB 3.97Å; L736-R768 HydrophobicContact CD2-CG 4.49Å; E737-R768 VanDerWaalsContact CD-NH2 3.25Å; E737-R768 IonicContact OE1-CZ 2.69Å; E737-R768 IonicContact OE1-NE 2.74Å; E737-R768 PolarHBondContact OE1-NE 2.91Å; E737-R768 IonicContact OE1-NH2 3.95Å; E737-R768 PolarHBondContact OE1-NH2 3.06Å; E737-R768 IonicContact OE2-NH2 3.38Å; L740-R768 VanDerWaalsContact CD1-NH1 3.34Å; I764-R768 PolarHBondContact O-N 3.02Å; Y765-R768 PolarHBondContact O-N 3.37Å
769F72.8Confident60Low86 Ų86111.2 Ų111.238%0.37759%0.592SS.*SBendtrans-128.278.7169.1-62.5-75.1000110.8L740 Y765 S766 S771L740-F769 HydrophobicContact CD1-CE2 3.79Å; L740-F769 HydrophobicContact CD1-CZ 3.59Å; L740-F769 HydrophobicContact CD2-CE2 4.27Å; L740-F769 HydrophobicContact CD2-CZ 3.85Å; L740-F769 HydrophobicContact CG-CZ 4.39Å; Y765-F769 HydrophobicContact CD1-CD2 4.31Å; Y765-F769 HydrophobicContact CD2-CD2 4.22Å; Y765-F769 HydrophobicContact CE1-CB 4.28Å; Y765-F769 AromaticContact CE1-CD2 3.88Å; Y765-F769 HydrophobicContact CE1-CD2 3.88Å; Y765-F769 HydrophobicContact CE1-CG 4.42Å; Y765-F769 AromaticContact CE2-CD2 3.78Å; Y765-F769 HydrophobicContact CE2-CD2 3.78Å; Y765-F769 AromaticContact CE2-CE2 3.89Å; Y765-F769 HydrophobicContact CE2-CE2 3.89Å; Y765-F769 HydrophobicContact CG-CD2 4.47Å; Y765-F769 AromaticContact CZ-CD2 3.59Å; Y765-F769 AromaticContact CZ-CE2 4Å; Y765-F769 PolarHBondContact O-N 2.92Å; S766-F769 CarbonylContact O-C 3.47Å; F769-S771 PolarHBondContact O-N 2.91Å
770P61.6Low57.4Low102 Ų102109.2 Ų109.266%0.66259%0.59SS**  trans-58.3121.6175.1-23.334.5000110.3S766 C772S766-P770 WeakPolarHBondContact O-CA 3.26Å; P770-C772 PolarHBondContact O-N 2.93Å
771S47.6Very low55Low112 Ų112112.7 Ų112.778%0.78360%0.603SS**  trans-67.7118.8169.1-171.80000107.8F769 G773F769-S771 PolarHBondContact O-N 2.91Å; S771-G773 PolarHBondContact O-N 3.2Å
772C39.3Very low53Low142 Ų142113.9 Ų113.996%0.95962%0.623SS**SBendtrans-61.2101.9173.5-1760000108.6P770P770-C772 PolarHBondContact O-N 2.93Å
773G40.6Very low50.7Low60 Ų60120.1 Ų120.162%0.61964%0.644SS**  trans179.449.2-159.400000115.8S771S771-G773 PolarHBondContact O-N 3.2Å
774E37.3Very low48.6Very low171 Ų171122.5 Ų122.580%0.79966%0.655SS**  trans-61.9147136.7-94.3-169-161.100108.8
775Q32.3Very low46.1Very low148 Ų148130.8 Ų130.869%0.69269%0.69SS**SBendcis-131.3171.1-5.4-71.211424.400110.4
776S39Very low44.4Very low109 Ų109134.6 Ų134.676%0.76272%0.719SS**  trans41.1101.7150.364.20000119
777K28.3Very low42.9Very low205 Ų205136.5 Ų136.589%0.89173%0.73SS**  -140.9111.2129.3-115162.8-170171.50110.9D779K777-D779 PolarHBondContact O-N 2.95Å
778T30.9Very low40.8Very low139 Ų139137 Ų13785%0.85374%0.743SS**  trans-65.3110164.547.20000108.5
779D35.7Very low38.9Very low149 Ų149139.1 Ų139.180%0.79776%0.76SS**  trans-98.7112.3174.5-146.7-26.6000109.5K777K777-D779 PolarHBondContact O-N 2.95Å
780N31.6Very low36.8Very low143 Ų143139.4 Ų139.477%0.76577%0.773SS**  trans-159.656.7-175-124.6-44.8000114.8
781K30.3Very low35.5Very low183 Ų183141.5 Ų141.580%0.79678%0.777SS**  171.9131.9122.7-94.1156.5-175.3167.40113.1
782P41Very low34.8Very low123 Ų123145 Ų14580%0.79978%0.778SS**  trans-80.8147.1157.734.3-32.3000110.6
783K30.4Very low34.5Very low194 Ų194146.9 Ų146.984%0.84377%0.77SS**  trans-160.1139.3155.1-118.1178.8-175.6-174.30113.3
784I33.3Very low34Very low158 Ų158149.7 Ų149.781%0.8178%0.775SS**  trans74.9136.8159.6-60.7161.5000115.8
785K29.6Very low33.6Very low193 Ų193150 Ų15084%0.83977%0.774SS**  trans-99.6-173176.9-45.9-178.7178176.30110.2
786P45.4Very low33.5Very low117 Ų117147.7 Ų147.776%0.7677%0.774SS**  trans-95.1-156.5-13241.1-20.4000110.9
787P45.9Very low33.3Very low102 Ų102148.8 Ų148.866%0.66277%0.77SS**  -156.3-171.669.145.5-24.1000116.5
788L31.6Very low33.6Very low146 Ų146149.8 Ų149.876%0.76477%0.768SS**  trans74.6128.9152.7-67.4175.2000122.6
789L32.8Very low33.8Very low140 Ų140153.4 Ų153.473%0.73378%0.783SS**  trans72.887.2135.3-62.9170.9000122.5
790S27.8Very low33.7Very low91 Ų91153.7 Ų153.764%0.63678%0.782SS**  67.7139.7106.9750000123.6
791I34.8Very low33.8Very low146 Ų146154.2 Ų154.275%0.74978%0.783SS**  trans85.8111.2152-66.1158.6000118.8
792K33.5Very low34Very low187 Ų187152.6 Ų152.681%0.81378%0.782SS**  trans26.5139137.1-47.9177.7-179.4176.60118.2
793K31.5Very low33.6Very low180 Ų180154.4 Ų154.478%0.78378%0.781SS**  -166164.257-77.5-178.3174.8175.70112.8
794T30.8Very low33.8Very low120 Ų120151.9 Ų151.974%0.73678%0.777SS**  trans46.1149.5140.654.70000121.8
795F29.9Very low33.9Very low178 Ų178151.5 Ų151.578%0.78178%0.775SS**  cis174.7170.6-23.8-135.4-87.9000104.5
796S28.7Very low34.2Very low98 Ų98148.5 Ų148.569%0.68577%0.771SS**  trans68.8157.8160.5-67.80000118.2
797I34.8Very low33.3Very low133 Ų133150.9 Ų150.968%0.68277%0.771SS**  cis-176.3133.5-42-111.7160.1000105.5
798R35.8Very low32.2Very low225 Ų225155 Ų15585%0.84978%0.781SS**  trans60.6159.9167.4-76.1177.7165.3147.7-4.1117.3
799N35.1Very low32.3Very low216 Ų216155.8 Ų155.8100%1.15578%0.782SS**  cis-118.30-9.4-103.4-19.6000108.6

Retrieved 799 of 799 residues in 771 ms (Link to these results)

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