A0A096NM73_PAPAN Loading...

DNA-directed RNA polymerase II subunit GRINL1A

AlphaFold DB , UniProt , Accession A0A096NM73, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 369 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low45.7Very low247 Ų247131.6 Ų131.6100%1.21772%0.721SS**  0121.40-57.2-168.386.400107.5
2S35.1Very low46.1Very low121 Ų121124.3 Ų124.385%0.84669%0.691SS**PPolyproline II helixtrans-81.1122.3-178.435.60000110.4L4S2-L4 PolarHBondContact O-N 2.63Å
3S41.4Very low46.7Very low115 Ų115122 Ų12280%0.80469%0.685SS**PPolyproline II helixtrans-64.2119.2172.849.90000110.2
4L39.7Very low47.3Very low160 Ų160124.8 Ų124.884%0.83869%0.689SS**PPolyproline II helixtrans-59143173.7-72.7163.3000110.5S2 R6S2-L4 PolarHBondContact O-N 2.63Å; L4-R6 PolarHBondContact O-N 2.8Å; L4-R6 VanDerWaalsContact O-N 3.17Å
5P45.1Very low48.5Very low120 Ų120121.8 Ų121.878%0.77967%0.668SS**PPolyproline II helixtrans-63.3120.1171.127.4-32.6000108.5G7P5-G7 PolarHBondContact O-N 3.01Å
6R46.5Very low49.9Very low190 Ų190115.1 Ų115.172%0.71763%0.632SS**  trans-62.8101.9176.6-178.4170.9-77.6-123.211.8108.5L4 E9L4-R6 PolarHBondContact O-N 2.8Å; L4-R6 VanDerWaalsContact O-N 3.17Å; R6-E9 IonicContact CZ-OE2 2.74Å; R6-E9 IonicContact NH1-OE2 3.84Å; R6-E9 PolarHBondContact NH1-OE2 3.26Å
7G43.5Very low51Low55 Ų55112.4 Ų112.457%0.56764%0.636SS**  trans-62.4175.917300000111.6P5 E9P5-G7 PolarHBondContact O-N 3.01Å; G7-E9 PolarHBondContact O-N 2.93Å
8F51.7Low52.6Low166 Ų166115.8 Ų115.873%0.72865%0.646SS**  trans-66.273178.1-81.5-102.1000112.1L34F8-L34 HydrophobicContact CE1-CD1 4.17Å; F8-L34 HydrophobicContact CZ-CD1 4.27Å
9E52.6Low54.2Low127 Ų127112.1 Ų112.159%0.59362%0.621SS**  trans-75127.2166.1-172.6172-140.900108.4R6 G7 Q11R6-E9 IonicContact CZ-OE2 2.74Å; R6-E9 IonicContact NH1-OE2 3.84Å; R6-E9 PolarHBondContact NH1-OE2 3.26Å; G7-E9 PolarHBondContact O-N 2.93Å; E9-Q11 PolarHBondContact O-N 3.24Å; E9-Q11 VanDerWaalsContact O-N 3.07Å
10P53.3Low55.9Low82 Ų82109.6 Ų109.653%0.53261%0.612SS.*  trans-62.8113173.6-18.531.6000109.1A12 K50P10-A12 PolarHBondContact O-N 3.21Å; P10-K50 HydrophobicContact CG-CD 4.31Å
11Q57Low57.5Low65 Ų65105.8 Ų105.830%0.30459%0.59SS.*  trans-52.4129177.8-147.5105.14800109.8E9 E15 L16E9-Q11 PolarHBondContact O-N 3.24Å; E9-Q11 VanDerWaalsContact O-N 3.07Å; Q11-E15 HydrophobicContact CG-CB 3.99Å; Q11-E15 VanDerWaalsContact CG-OE2 3.28Å; Q11-E15 WeakPolarHBondContact CG-OE2 3.26Å; Q11-E15 PolarHBondContact NE2-OE2 2.8Å; Q11-L16 HydrophobicContact CB-CD2 4.49Å; Q11-L16 HydrophobicContact CG-CD2 4.37Å
12A50.5Low60.1Low44 Ų4499.3 Ų99.336%0.36456%0.564SS.*  trans-60.5143.817700000109.9P10 E14 E15P10-A12 PolarHBondContact O-N 3.21Å; A12-E14 PolarHBondContact O-N 3.4Å; A12-E15 PolarHBondContact O-N 3.04Å; A12-E15 VanDerWaalsContact O-N 3.08Å
13P53.5Low62.8Low94 Ų9497 Ų9761%0.6154%0.54SS*.Hα-helixtrans-59.1-31-177.323.2-32.9000112.6E15 L16P13-E15 VanDerWaalsContact C-N 3.31Å; P13-E15 PolarHBondContact O-N 2.73Å; P13-L16 PolarHBondContact O-N 3.35Å
14E55.1Low65.2Low161 Ų16191.6 Ų91.675%0.75250%0.502SS*.Hα-helixtrans-64-30.3178-62.4178.4-175.200113.4A12 L16A12-E14 PolarHBondContact O-N 3.4Å; E14-L16 VanDerWaalsContact C-N 3.3Å; E14-L16 PolarHBondContact O-N 2.65Å
15E66.1Low67.7Low80 Ų8089.9 Ų89.937%0.37448%0.484SS..Hα-helixtrans-74-21.3177.2-67-173.4-17000112.6Q11 A12 P13Q11-E15 HydrophobicContact CG-CB 3.99Å; Q11-E15 VanDerWaalsContact CG-OE2 3.28Å; Q11-E15 WeakPolarHBondContact CG-OE2 3.26Å; Q11-E15 PolarHBondContact NE2-OE2 2.8Å; A12-E15 PolarHBondContact O-N 3.04Å; A12-E15 VanDerWaalsContact O-N 3.08Å; P13-E15 VanDerWaalsContact C-N 3.31Å; P13-E15 PolarHBondContact O-N 2.73Å
16L70.3Confident70.1Confident15 Ų1588.5 Ų88.58%0.07947%0.468CS..Hα-helixtrans-75.8-31.2-179.9-60.1-178.3000112.2Q11 P13 E14 Q18 R19 L24 K57 L58Q11-L16 HydrophobicContact CB-CD2 4.49Å; Q11-L16 HydrophobicContact CG-CD2 4.37Å; P13-L16 PolarHBondContact O-N 3.35Å; E14-L16 VanDerWaalsContact C-N 3.3Å; E14-L16 PolarHBondContact O-N 2.65Å; L16-Q18 VanDerWaalsContact C-N 3.25Å; L16-Q18 PolarHBondContact O-N 2.97Å; L16-R19 PolarHBondContact O-N 3.34Å; L16-L24 HydrophobicContact CB-CD2 4.22Å; L16-L24 HydrophobicContact CD2-CD2 4.04Å; L16-K57 HydrophobicContact CD1-CB 4.44Å; L16-L58 HydrophobicContact CD1-CD2 4.24Å; L16-L58 HydrophobicContact CD2-CD2 3.9Å
17G68.7Low72.2Confident69 Ų6981.1 Ų81.171%0.71144%0.442SS*.THydrogen-bonded Turntrans-71.5-16.6176.800000114.3
18Q79.9Confident74.6Confident174 Ų17479.8 Ų79.881%0.81342%0.422SS*.THydrogen-bonded Turntrans-90.2-10.3176.3-61.8-178.11.900113L16L16-Q18 VanDerWaalsContact C-N 3.25Å; L16-Q18 PolarHBondContact O-N 2.97Å
19R83.3Confident76.6Confident44 Ų4479.3 Ų79.317%0.16642%0.419CS..SBendtrans-87.5149.3-176.3-75.8-174.9162.3131.621.8112.5L16 E23 L24 M27L16-R19 PolarHBondContact O-N 3.34Å; R19-E23 VanDerWaalsContact CD-OE1 3.25Å; R19-E23 WeakPolarHBondContact CD-OE1 3.48Å; R19-E23 HydrophobicContact CG-CG 4.44Å; R19-E23 WeakPolarHBondContact CG-OE2 3.5Å; R19-E23 IonicContact CZ-OE1 2.7Å; R19-E23 IonicContact NE-OE1 3.41Å; R19-E23 PolarHBondContact NE-OE1 2.71Å; R19-L24 HydrophobicContact CB-CD2 3.96Å; R19-L24 HydrophobicContact CB-CG 4.03Å; R19-M27 VanDerWaalsContact NH1-CE 3.33Å; R19-M27 PolarHBondContact NH1-SD 3.1Å
20S87.8Confident78.6Confident63 Ų6380.2 Ų80.244%0.44142%0.417SS..  trans-67.2147174.472.10000111.4V22 E23 L24S20-V22 PolarHBondContact O-N 3.33Å; S20-V22 VanDerWaalsContact O-N 3.11Å; S20-E23 WeakPolarHBondContact O-CB 3.29Å; S20-E23 PolarHBondContact O-N 3.34Å; S20-E23 VanDerWaalsContact OG-CB 3.29Å; S20-E23 WeakPolarHBondContact OG-CB 3.41Å; S20-E23 PolarHBondContact OG-N 3.04Å; S20-L24 PolarHBondContact O-N 2.9Å
21L89.3Confident80.4Confident29 Ų2978 Ų7815%0.15240%0.4CS..Hα-helixtrans-52.7-33.7174-177.8157.6000112.6R25 H65 E66L21-R25 HydrophobicContact CD2-CG 4.43Å; L21-R25 WeakPolarHBondContact O-CG 3.23Å; L21-R25 PolarHBondContact O-N 3.36Å; L21-R25 VanDerWaalsContact O-N 3.1Å; L21-H65 HydrophobicContact CD1-CB 4.37Å; L21-E66 HydrophobicContact CD1-CG 4.04Å
22V91.3Very high82.1Confident111 Ų11177.1 Ų77.167%0.67340%0.396SS*.Hα-helixtrans-67.2-46.2176.1-178.90000111.3S20 R25 E26S20-V22 PolarHBondContact O-N 3.33Å; S20-V22 VanDerWaalsContact O-N 3.11Å; V22-R25 PolarHBondContact O-N 2.9Å; V22-E26 PolarHBondContact O-N 3.45Å
23E92.1Very high84.1Confident73 Ų7383.4 Ų83.434%0.34141%0.41SS..Hα-helixtrans-62.9-43.4177-175.4-176.2175.400111.5R19 S20 R25 E26 M27R19-E23 VanDerWaalsContact CD-OE1 3.25Å; R19-E23 WeakPolarHBondContact CD-OE1 3.48Å; R19-E23 HydrophobicContact CG-CG 4.44Å; R19-E23 WeakPolarHBondContact CG-OE2 3.5Å; R19-E23 IonicContact CZ-OE1 2.7Å; R19-E23 IonicContact NE-OE1 3.41Å; R19-E23 PolarHBondContact NE-OE1 2.71Å; S20-E23 WeakPolarHBondContact O-CB 3.29Å; S20-E23 PolarHBondContact O-N 3.34Å; S20-E23 VanDerWaalsContact OG-CB 3.29Å; S20-E23 WeakPolarHBondContact OG-CB 3.41Å; S20-E23 PolarHBondContact OG-N 3.04Å; E23-R25 PolarHBondContact O-N 2.92Å; E23-E26 PolarHBondContact O-N 3.44Å; E23-E26 VanDerWaalsContact O-N 3.14Å; E23-M27 WeakPolarHBondContact O-CG 3.49Å; E23-M27 PolarHBondContact O-N 3.2Å
24L92.3Very high85.9Confident2 Ų281.1 Ų81.11%0.0139%0.392CS..Hα-helixtrans-60.1-43.7175.6-67.4174.9000112L16 R19 S20 E26 L28 L58 A61 V62L16-L24 HydrophobicContact CB-CD2 4.22Å; L16-L24 HydrophobicContact CD2-CD2 4.04Å; R19-L24 HydrophobicContact CB-CD2 3.96Å; R19-L24 HydrophobicContact CB-CG 4.03Å; S20-L24 PolarHBondContact O-N 2.9Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-L28 WeakPolarHBondContact O-CB 3.3Å; L24-L28 PolarHBondContact O-N 3.21Å; L24-L58 HydrophobicContact CD2-CD2 3.76Å; L24-A61 HydrophobicContact CD1-CB 4.32Å; L24-V62 HydrophobicContact CB-CG2 3.75Å
25R92.2Very high87.5Confident123 Ų12375 Ų7546%0.46437%0.365SS..Hα-helixtrans-64.6-36.9174-75178.6175.2-179.2-2.8112.3L21 V22 E23 K29 V62 E66L21-R25 HydrophobicContact CD2-CG 4.43Å; L21-R25 WeakPolarHBondContact O-CG 3.23Å; L21-R25 PolarHBondContact O-N 3.36Å; L21-R25 VanDerWaalsContact O-N 3.1Å; V22-R25 PolarHBondContact O-N 2.9Å; E23-R25 PolarHBondContact O-N 2.92Å; R25-K29 WeakPolarHBondContact O-CB 3.5Å; R25-K29 PolarHBondContact O-N 3.31Å; R25-V62 HydrophobicContact CG-CG1 4.28Å; R25-V62 HydrophobicContact CG-CG2 4.25Å; R25-E66 IonicContact CZ-OE1 3.58Å; R25-E66 IonicContact NE-OE1 2.69Å; R25-E66 IonicContact NH2-OE1 3.12Å; R25-E66 PolarHBondContact NH2-OE1 3.36Å
26E94.4Very high88.6Confident92 Ų9280.1 Ų80.143%0.4338%0.38SS..Hα-helixtrans-68.6-45177.3-152.9-136.7144.700111.9V22 E23 L24 L28 K29 R30V22-E26 PolarHBondContact O-N 3.45Å; E23-E26 PolarHBondContact O-N 3.44Å; E23-E26 VanDerWaalsContact O-N 3.14Å; L24-E26 VanDerWaalsContact C-N 3.35Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.19Å; E26-K29 PolarHBondContact O-N 3.3Å; E26-R30 WeakPolarHBondContact O-CG 3.46Å; E26-R30 PolarHBondContact O-N 3.5Å; E26-R30 IonicContact OE1-CZ 2.72Å; E26-R30 IonicContact OE1-NE 3.63Å; E26-R30 PolarHBondContact OE1-NE 2.59Å; E26-R30 IonicContact OE1-NH2 3.92Å; E26-R30 PolarHBondContact OE1-NH2 3.43Å; E26-R30 IonicContact OE2-NH2 2.72Å
27M91.8Very high89.6Confident34 Ų3483.6 Ų83.617%0.16740%0.399CS..Hα-helixtrans-57.9-44.7173.9-73.7-175.47200111.7R19 E23 K29 R30 Q31 L58R19-M27 VanDerWaalsContact NH1-CE 3.33Å; R19-M27 PolarHBondContact NH1-SD 3.1Å; E23-M27 WeakPolarHBondContact O-CG 3.49Å; E23-M27 PolarHBondContact O-N 3.2Å; M27-K29 PolarHBondContact O-N 3.15Å; M27-R30 WeakPolarHBondContact O-CB 3.06Å; M27-R30 PolarHBondContact O-N 2.94Å; M27-Q31 WeakPolarHBondContact O-CG 3.46Å; M27-Q31 PolarHBondContact O-N 2.75Å; M27-L58 HydrophobicContact CB-CD1 3.78Å; M27-L58 HydrophobicContact CB-CD2 4.36Å
28L93.7Very high90.6Very high28 Ų2887.5 Ų87.515%0.14740%0.399CS..Hα-helixtrans-59.3-48.2176.9179.9155.5000110.4L24 E26 R30 Q31 E32 L58 K59L24-L28 WeakPolarHBondContact O-CB 3.3Å; L24-L28 PolarHBondContact O-N 3.21Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.19Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 3.27Å; L28-Q31 PolarHBondContact O-N 3.07Å; L28-E32 HydrophobicContact CD2-CG 4.14Å; L28-E32 WeakPolarHBondContact O-CG 3.41Å; L28-E32 PolarHBondContact O-N 3.04Å; L28-L58 HydrophobicContact CB-CB 4.28Å; L28-L58 HydrophobicContact CB-CD1 4.2Å; L28-L58 HydrophobicContact CD1-CB 4.36Å; L28-K59 HydrophobicContact CD1-CD 4.47Å; L28-K59 HydrophobicContact CD1-CG 3.51Å
29K94.1Very high91Very high155 Ų15587.8 Ų87.867%0.67440%0.397SS*.Hα-helixtrans-60.4-38.4176.5-172.3178-177.5178.50112.5R25 E26 M27 R33R25-K29 WeakPolarHBondContact O-CB 3.5Å; R25-K29 PolarHBondContact O-N 3.31Å; E26-K29 PolarHBondContact O-N 3.3Å; M27-K29 PolarHBondContact O-N 3.15Å; K29-R33 WeakPolarHBondContact O-CB 3.43Å; K29-R33 PolarHBondContact O-N 2.91Å; K29-R33 VanDerWaalsContact O-N 3.11Å
30R93.7Very high91.2Very high147 Ų14789.4 Ų89.456%0.55541%0.406SS*.Hα-helixtrans-64.2-45.4174.8-72.2178.5-178.1-151.28.6111.7E26 M27 L28 R33 L34E26-R30 WeakPolarHBondContact O-CG 3.46Å; E26-R30 PolarHBondContact O-N 3.5Å; E26-R30 IonicContact OE1-CZ 2.72Å; E26-R30 IonicContact OE1-NE 3.63Å; E26-R30 PolarHBondContact OE1-NE 2.59Å; E26-R30 IonicContact OE1-NH2 3.92Å; E26-R30 PolarHBondContact OE1-NH2 3.43Å; E26-R30 IonicContact OE2-NH2 2.72Å; M27-R30 WeakPolarHBondContact O-CB 3.06Å; M27-R30 PolarHBondContact O-N 2.94Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 3.27Å; R30-R33 PolarHBondContact O-N 2.93Å; R30-L34 PolarHBondContact O-N 2.98Å
31Q92.1Very high91.4Very high35 Ų3587 Ų8716%0.16439%0.388CS..Hα-helixtrans-70.6-41.3-179.9-68.6-179.22.200112.5M27 L28 R33 L34 L35 I51 S54 V55M27-Q31 WeakPolarHBondContact O-CG 3.46Å; M27-Q31 PolarHBondContact O-N 2.75Å; L28-Q31 PolarHBondContact O-N 3.07Å; Q31-R33 PolarHBondContact O-N 2.89Å; Q31-L34 WeakPolarHBondContact O-CA 3.49Å; Q31-L34 WeakPolarHBondContact O-CB 3.46Å; Q31-L34 PolarHBondContact O-N 3.13Å; Q31-L35 PolarHBondContact O-N 2.91Å; Q31-I51 HydrophobicContact CB-CG2 4.25Å; Q31-S54 PolarHBondContact NE2-OG 3.11Å; Q31-S54 PolarHBondContact OE1-OG 2.86Å; Q31-V55 HydrophobicContact CB-CG2 3.49Å; Q31-V55 VanDerWaalsContact CB-CG2 3.49Å
32E92.1Very high91.1Very high47 Ų4789.5 Ų89.522%0.2241%0.406CS..Hα-helixtrans-61.8-31.4172.8-72.3-169.9162.200112.4L28 L34 L35 R36 V55 K59L28-E32 HydrophobicContact CD2-CG 4.14Å; L28-E32 WeakPolarHBondContact O-CG 3.41Å; L28-E32 PolarHBondContact O-N 3.04Å; E32-L34 VanDerWaalsContact C-N 3.35Å; E32-L35 PolarHBondContact O-N 3.4Å; E32-R36 WeakPolarHBondContact O-CG 3.27Å; E32-R36 PolarHBondContact O-N 3.26Å; E32-R36 PolarHBondContact O-NE 3.37Å; E32-R36 IonicContact OE2-NH2 2.75Å; E32-V55 HydrophobicContact CG-CG1 4.34Å; E32-K59 WeakPolarHBondContact OE1-CE 3.32Å; E32-K59 IonicContact OE1-NZ 3.58Å; E32-K59 PolarHBondContact OE1-NZ 3.1Å
33R93.4Very high91.1Very high176 Ų17692.6 Ų92.666%0.66441%0.411SS*.Hα-helixtrans-68.7-31.5171.5-170177.768.3155.70.8112.6K29 R30 Q31 N37K29-R33 WeakPolarHBondContact O-CB 3.43Å; K29-R33 PolarHBondContact O-N 2.91Å; K29-R33 VanDerWaalsContact O-N 3.11Å; R30-R33 PolarHBondContact O-N 2.93Å; Q31-R33 PolarHBondContact O-N 2.89Å; R33-N37 PolarHBondContact O-ND2 3.38Å
34L89.5Confident91Very high46 Ų4691 Ų9124%0.24141%0.405CS..Hα-helixtrans-70.4-40.4173-67172.2000111.4F8 R30 Q31 E32 R36 N37 F40F8-L34 HydrophobicContact CE1-CD1 4.17Å; F8-L34 HydrophobicContact CZ-CD1 4.27Å; R30-L34 PolarHBondContact O-N 2.98Å; Q31-L34 WeakPolarHBondContact O-CA 3.49Å; Q31-L34 WeakPolarHBondContact O-CB 3.46Å; Q31-L34 PolarHBondContact O-N 3.13Å; E32-L34 VanDerWaalsContact C-N 3.35Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.42Å; L34-N37 PolarHBondContact O-N 2.81Å; L34-N37 VanDerWaalsContact O-N 3.11Å; L34-F40 HydrophobicContact CD2-CE1 4.11Å
35L88.7Confident90.8Very high33 Ų3397.3 Ų97.317%0.17345%0.445CS..Hα-helixtrans-63.5-33.7178.2-68.5179.6000113.3Q31 E32 N37 I41 I51 F52 V55Q31-L35 PolarHBondContact O-N 2.91Å; E32-L35 PolarHBondContact O-N 3.4Å; L35-N37 PolarHBondContact O-N 3.15Å; L35-N37 VanDerWaalsContact O-N 3.16Å; L35-I41 HydrophobicContact CD2-CD1 3.94Å; L35-I41 HydrophobicContact CD2-CG1 4.48Å; L35-I51 HydrophobicContact CD1-CG2 4.46Å; L35-I51 HydrophobicContact CD2-CB 4Å; L35-I51 HydrophobicContact CD2-CG2 3.61Å; L35-I51 HydrophobicContact CG-CG2 3.82Å; L35-F52 HydrophobicContact CD1-CD1 3.85Å; L35-F52 HydrophobicContact CD1-CE1 3.83Å; L35-F52 HydrophobicContact CD1-CZ 4.5Å; L35-F52 HydrophobicContact CD2-CD1 4.06Å; L35-F52 HydrophobicContact CD2-CD2 3.99Å; L35-F52 HydrophobicContact CD2-CE1 3.84Å; L35-F52 HydrophobicContact CD2-CE2 3.76Å; L35-F52 HydrophobicContact CD2-CG 4.14Å; L35-F52 HydrophobicContact CD2-CZ 3.69Å; L35-F52 HydrophobicContact CG-CE1 4.39Å; L35-V55 HydrophobicContact CD1-CB 4.48Å; L35-V55 HydrophobicContact CD1-CG2 3.93Å
36R90.3Very high90.7Very high187 Ų18793.8 Ų93.871%0.70644%0.436SS*.THydrogen-bonded Turntrans-62.6-17.5174.2-68.7168.4-151.5-101.30.1113.7E32 L34 E38E32-R36 WeakPolarHBondContact O-CG 3.27Å; E32-R36 PolarHBondContact O-N 3.26Å; E32-R36 PolarHBondContact O-NE 3.37Å; E32-R36 IonicContact OE2-NH2 2.75Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.42Å; R36-E38 PolarHBondContact O-N 3.38Å
37N91.8Very high90.5Very high87 Ų8795.8 Ų95.847%0.46544%0.443SS..  trans-93.774.6177.8-67.9-46.4000110.7R33 L34 L35 K39 F40 I41R33-N37 PolarHBondContact O-ND2 3.38Å; L34-N37 PolarHBondContact O-N 2.81Å; L34-N37 VanDerWaalsContact O-N 3.11Å; L35-N37 PolarHBondContact O-N 3.15Å; L35-N37 VanDerWaalsContact O-N 3.16Å; N37-K39 PolarHBondContact O-N 2.97Å; N37-K39 VanDerWaalsContact O-N 3.14Å; N37-F40 HydrophobicContact CB-CB 3.89Å; N37-F40 WeakPolarHBondContact O-CA 3.28Å; N37-F40 VanDerWaalsContact O-CB 3.31Å; N37-F40 WeakPolarHBondContact O-CB 3.37Å; N37-F40 PolarHBondContact O-N 3.05Å; N37-I41 PolarHBondContact O-N 2.99Å; N37-I41 VanDerWaalsContact O-N 3.07Å
38E88.3Confident90.3Very high151 Ų15194.1 Ų94.171%0.70644%0.435SS*.Hα-helixtrans-52.2-40.1-179.1-62177.9171.900112.9R36 F40 I41 C42R36-E38 PolarHBondContact O-N 3.38Å; E38-F40 PolarHBondContact O-N 3.26Å; E38-I41 PolarHBondContact O-N 3.1Å; E38-C42 WeakPolarHBondContact O-CB 3.41Å; E38-C42 PolarHBondContact O-N 3.15Å; E38-C42 PolarHBondContact O-SG 2.93Å
39K89.5Confident90.2Very high180 Ų18099.5 Ų99.578%0.78346%0.457SS*.Hα-helixtrans-62.5-22.2175.8-64.1-178.3-177.4177.20114.1N37 K43N37-K39 PolarHBondContact O-N 2.97Å; N37-K39 VanDerWaalsContact O-N 3.14Å; K39-K43 VanDerWaalsContact O-CD 3.23Å; K39-K43 WeakPolarHBondContact O-CD 3.38Å; K39-K43 WeakPolarHBondContact O-CE 3.41Å; K39-K43 VanDerWaalsContact O-CG 3.25Å; K39-K43 WeakPolarHBondContact O-CG 3.46Å
40F87.7Confident90Very high78 Ų7897.7 Ų97.734%0.34245%0.449SS..Hα-helixtrans-85.1-48.5172.3169.9-101.2000110L34 N37 E38 C42 K43 L44 I51L34-F40 HydrophobicContact CD2-CE1 4.11Å; N37-F40 HydrophobicContact CB-CB 3.89Å; N37-F40 WeakPolarHBondContact O-CA 3.28Å; N37-F40 VanDerWaalsContact O-CB 3.31Å; N37-F40 WeakPolarHBondContact O-CB 3.37Å; N37-F40 PolarHBondContact O-N 3.05Å; E38-F40 PolarHBondContact O-N 3.26Å; F40-C42 PolarHBondContact O-N 3.35Å; F40-K43 WeakPolarHBondContact O-CB 3.48Å; F40-K43 PolarHBondContact O-N 2.62Å; F40-L44 HydrophobicContact CD1-CD1 4.41Å; F40-L44 HydrophobicContact CE1-CD1 3.94Å; F40-L44 HydrophobicContact CE1-CD2 4.38Å; F40-L44 HydrophobicContact CE1-CG 4.4Å; F40-L44 HydrophobicContact CE2-CD2 4.35Å; F40-L44 HydrophobicContact CZ-CD1 4.38Å; F40-L44 HydrophobicContact CZ-CD2 4.02Å; F40-L44 HydrophobicContact CZ-CG 4.5Å; F40-L44 PolarHBondContact O-N 3.05Å; F40-I51 HydrophobicContact CE1-CD1 4.3Å
41I90.5Very high89.8Confident14 Ų1491.3 Ų91.37%0.07243%0.426CS..Hα-helixtrans-56.4-45.4178.8-61.6-58000112.1L35 N37 E38 K43 L44 K47 I51L35-I41 HydrophobicContact CD2-CD1 3.94Å; L35-I41 HydrophobicContact CD2-CG1 4.48Å; N37-I41 PolarHBondContact O-N 2.99Å; N37-I41 VanDerWaalsContact O-N 3.07Å; E38-I41 PolarHBondContact O-N 3.1Å; I41-K43 PolarHBondContact O-N 3.16Å; I41-L44 HydrophobicContact CD1-CD1 4.16Å; I41-L44 WeakPolarHBondContact O-CB 3.47Å; I41-L44 PolarHBondContact O-N 3.48Å; I41-L44 VanDerWaalsContact O-N 3.1Å; I41-K47 WeakPolarHBondContact CG2-O 3.43Å; I41-I51 HydrophobicContact CD1-CD1 3.81Å
42C84.6Confident89.7Confident80 Ų8095 Ų9554%0.54144%0.442SS..THydrogen-bonded Turntrans-66.4-21178.4-70.20000114.2E38 F40 K47E38-C42 WeakPolarHBondContact O-CB 3.41Å; E38-C42 PolarHBondContact O-N 3.15Å; E38-C42 PolarHBondContact O-SG 2.93Å; F40-C42 PolarHBondContact O-N 3.35Å; C42-K47 PolarHBondContact O-NZ 2.75Å
43K90.3Very high89.7Confident177 Ų17796.5 Ų96.577%0.7745%0.451SS*.THydrogen-bonded Turntrans-84.6-14.7174.8-69.7176-175.6-173.90113.2K39 F40 I41K39-K43 VanDerWaalsContact O-CD 3.23Å; K39-K43 WeakPolarHBondContact O-CD 3.38Å; K39-K43 WeakPolarHBondContact O-CE 3.41Å; K39-K43 VanDerWaalsContact O-CG 3.25Å; K39-K43 WeakPolarHBondContact O-CG 3.46Å; F40-K43 WeakPolarHBondContact O-CB 3.48Å; F40-K43 PolarHBondContact O-N 2.62Å; I41-K43 PolarHBondContact O-N 3.16Å
44L89.5Confident89.6Confident39 Ų3989.5 Ų89.520%0.20443%0.429CS..SBendtrans-72.4145.1176.1-64.1175.4000110.9F40 I41 D46 K47 I51F40-L44 HydrophobicContact CD1-CD1 4.41Å; F40-L44 HydrophobicContact CE1-CD1 3.94Å; F40-L44 HydrophobicContact CE1-CD2 4.38Å; F40-L44 HydrophobicContact CE1-CG 4.4Å; F40-L44 HydrophobicContact CE2-CD2 4.35Å; F40-L44 HydrophobicContact CZ-CD1 4.38Å; F40-L44 HydrophobicContact CZ-CD2 4.02Å; F40-L44 HydrophobicContact CZ-CG 4.5Å; F40-L44 PolarHBondContact O-N 3.05Å; I41-L44 HydrophobicContact CD1-CD1 4.16Å; I41-L44 WeakPolarHBondContact O-CB 3.47Å; I41-L44 PolarHBondContact O-N 3.48Å; I41-L44 VanDerWaalsContact O-N 3.1Å; L44-D46 WeakPolarHBondContact CB-OD1 3.47Å; L44-D46 PolarHBondContact O-N 2.85Å; L44-K47 PolarHBondContact O-N 3.04Å; L44-I51 HydrophobicContact CD1-CD1 3.68Å
45P88.8Confident89.7Confident134 Ų13487.9 Ų87.987%0.8742%0.421SS*.THydrogen-bonded Turntrans-65.4-27.3-18027.1-35.2000112.7
46D91.1Very high89.9Confident49 Ų4989.2 Ų89.226%0.26244%0.437SS..THydrogen-bonded Turntrans-97.77.3178.674.5-26.5000113.4L44 G48 K49 K50L44-D46 WeakPolarHBondContact CB-OD1 3.47Å; L44-D46 PolarHBondContact O-N 2.85Å; D46-G48 PolarHBondContact O-N 3.44Å; D46-G48 VanDerWaalsContact O-N 3.11Å; D46-G48 WeakPolarHBondContact OD1-CA 3.35Å; D46-G48 PolarHBondContact OD1-N 3.45Å; D46-K49 VanDerWaalsContact O-CB 3.31Å; D46-K49 WeakPolarHBondContact O-CB 3.35Å; D46-K49 PolarHBondContact O-N 3.49Å; D46-K49 PolarHBondContact OD2-N 2.9Å; D46-K50 VanDerWaalsContact OD2-CB 3.28Å; D46-K50 WeakPolarHBondContact OD2-CB 3.47Å; D46-K50 VanDerWaalsContact OD2-CG 3.26Å; D46-K50 WeakPolarHBondContact OD2-CG 3.49Å; D46-K50 PolarHBondContact OD2-N 3.01Å
47K89.3Confident90Very high134 Ų13485.6 Ų85.658%0.58343%0.427SS*.THydrogen-bonded Turntrans51.131.2-172.3-53.1-62.9171.3179.30113.5I41 C42 L44 K49I41-K47 WeakPolarHBondContact CG2-O 3.43Å; C42-K47 PolarHBondContact O-NZ 2.75Å; L44-K47 PolarHBondContact O-N 3.04Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 3.35Å
48G87.8Confident90.1Very high0 Ų081.5 Ų81.50%041%0.405CS..THydrogen-bonded Turntrans73.811.3-179.500000115D46 K50 I51 F52D46-G48 PolarHBondContact O-N 3.44Å; D46-G48 VanDerWaalsContact O-N 3.11Å; D46-G48 WeakPolarHBondContact OD1-CA 3.35Å; D46-G48 PolarHBondContact OD1-N 3.45Å; G48-K50 PolarHBondContact O-N 3.32Å; G48-I51 WeakPolarHBondContact O-CA 3.45Å; G48-I51 WeakPolarHBondContact O-CB 3.29Å; G48-I51 PolarHBondContact O-N 3.45Å; G48-F52 WeakPolarHBondContact O-CD2 3.31Å; G48-F52 PolarHBondContact O-N 2.85Å
49K90.6Very high90.3Very high140 Ų14079.2 Ų79.261%0.60939%0.392SS*.Hα-helixtrans-50.8-43.9178.4-176.6176.6177.7-179.80112.1D46 K47 I51 F52 D53D46-K49 VanDerWaalsContact O-CB 3.31Å; D46-K49 WeakPolarHBondContact O-CB 3.35Å; D46-K49 PolarHBondContact O-N 3.49Å; D46-K49 PolarHBondContact OD2-N 2.9Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 3.35Å; K49-I51 PolarHBondContact O-N 2.96Å; K49-F52 PolarHBondContact O-N 3.32Å; K49-D53 VanDerWaalsContact O-CG 3.25Å; K49-D53 PolarHBondContact O-N 3.29Å
50K91Very high90.5Very high118 Ų11873.6 Ų73.651%0.51338%0.38SS..Hα-helixtrans-61.4-31.4176.5-70175.1176.3-175.40113.4P10 D46 G48 S54P10-K50 HydrophobicContact CG-CD 4.31Å; D46-K50 VanDerWaalsContact OD2-CB 3.28Å; D46-K50 WeakPolarHBondContact OD2-CB 3.47Å; D46-K50 VanDerWaalsContact OD2-CG 3.26Å; D46-K50 WeakPolarHBondContact OD2-CG 3.49Å; D46-K50 PolarHBondContact OD2-N 3.01Å; G48-K50 PolarHBondContact O-N 3.32Å; K50-S54 WeakPolarHBondContact O-CB 3.23Å; K50-S54 PolarHBondContact O-N 3.44Å; K50-S54 PolarHBondContact O-OG 3.33Å
51I89Confident90.7Very high12 Ų1270.7 Ų70.76%0.06237%0.37CS..Hα-helixtrans-74.5-40.7178.3-54177000110Q31 L35 F40 I41 L44 G48 K49 S54 V55Q31-I51 HydrophobicContact CB-CG2 4.25Å; L35-I51 HydrophobicContact CD1-CG2 4.46Å; L35-I51 HydrophobicContact CD2-CB 4Å; L35-I51 HydrophobicContact CD2-CG2 3.61Å; L35-I51 HydrophobicContact CG-CG2 3.82Å; F40-I51 HydrophobicContact CE1-CD1 4.3Å; I41-I51 HydrophobicContact CD1-CD1 3.81Å; L44-I51 HydrophobicContact CD1-CD1 3.68Å; G48-I51 WeakPolarHBondContact O-CA 3.45Å; G48-I51 WeakPolarHBondContact O-CB 3.29Å; G48-I51 PolarHBondContact O-N 3.45Å; K49-I51 PolarHBondContact O-N 2.96Å; I51-S54 WeakPolarHBondContact CA-OG 3.45Å; I51-S54 PolarHBondContact O-N 2.94Å; I51-S54 PolarHBondContact O-OG 3.07Å; I51-V55 WeakPolarHBondContact O-CG2 3.47Å; I51-V55 PolarHBondContact O-N 3.43Å
52F90.1Very high90.7Very high114 Ų11470.8 Ų70.850%0.537%0.371SS..Hα-helixtrans-62.4-47.7171.8-74.3-74000111.7L35 G48 K49 S54 V55 A56L35-F52 HydrophobicContact CD1-CD1 3.85Å; L35-F52 HydrophobicContact CD1-CE1 3.83Å; L35-F52 HydrophobicContact CD1-CZ 4.5Å; L35-F52 HydrophobicContact CD2-CD1 4.06Å; L35-F52 HydrophobicContact CD2-CD2 3.99Å; L35-F52 HydrophobicContact CD2-CE1 3.84Å; L35-F52 HydrophobicContact CD2-CE2 3.76Å; L35-F52 HydrophobicContact CD2-CG 4.14Å; L35-F52 HydrophobicContact CD2-CZ 3.69Å; L35-F52 HydrophobicContact CG-CE1 4.39Å; G48-F52 WeakPolarHBondContact O-CD2 3.31Å; G48-F52 PolarHBondContact O-N 2.85Å; K49-F52 PolarHBondContact O-N 3.32Å; F52-S54 VanDerWaalsContact C-N 3.28Å; F52-S54 PolarHBondContact O-N 2.96Å; F52-V55 PolarHBondContact O-N 3.24Å; F52-A56 PolarHBondContact O-N 3.03Å
53D92.2Very high91.1Very high78 Ų7869.2 Ų69.242%0.41736%0.364SS..Hα-helixtrans-59.7-38.1177-66-22.4000111.5K49 K57K49-D53 VanDerWaalsContact O-CG 3.25Å; K49-D53 PolarHBondContact O-N 3.29Å; D53-K57 VanDerWaalsContact O-CG 3.27Å; D53-K57 WeakPolarHBondContact O-CG 3.45Å; D53-K57 PolarHBondContact O-N 3.32Å; D53-K57 VanDerWaalsContact O-N 3.11Å
54S90.6Very high91.2Very high29 Ų2967.1 Ų67.120%0.20336%0.357CS..Hα-helixtrans-73.3-36.617767.90000113.1Q31 K50 I51 F52 K57 L58Q31-S54 PolarHBondContact NE2-OG 3.11Å; Q31-S54 PolarHBondContact OE1-OG 2.86Å; K50-S54 WeakPolarHBondContact O-CB 3.23Å; K50-S54 PolarHBondContact O-N 3.44Å; K50-S54 PolarHBondContact O-OG 3.33Å; I51-S54 WeakPolarHBondContact CA-OG 3.45Å; I51-S54 PolarHBondContact O-N 2.94Å; I51-S54 PolarHBondContact O-OG 3.07Å; F52-S54 VanDerWaalsContact C-N 3.28Å; F52-S54 PolarHBondContact O-N 2.96Å; S54-K57 PolarHBondContact O-N 3.42Å; S54-L58 WeakPolarHBondContact O-CB 3.46Å; S54-L58 WeakPolarHBondContact O-CG 3.47Å; S54-L58 PolarHBondContact O-N 3.49Å
55V92.4Very high91.1Very high11 Ų1168.7 Ų68.77%0.06736%0.363CS..Hα-helixtrans-65.2-40.4173.7169.20000110.9Q31 E32 L35 I51 F52 L58 K59Q31-V55 HydrophobicContact CB-CG2 3.49Å; Q31-V55 VanDerWaalsContact CB-CG2 3.49Å; E32-V55 HydrophobicContact CG-CG1 4.34Å; L35-V55 HydrophobicContact CD1-CB 4.48Å; L35-V55 HydrophobicContact CD1-CG2 3.93Å; I51-V55 WeakPolarHBondContact O-CG2 3.47Å; I51-V55 PolarHBondContact O-N 3.43Å; F52-V55 PolarHBondContact O-N 3.24Å; V55-L58 PolarHBondContact O-N 3.21Å; V55-K59 HydrophobicContact CG1-CD 4.1Å; V55-K59 WeakPolarHBondContact O-CB 2.77Å; V55-K59 WeakPolarHBondContact O-CG 3.47Å; V55-K59 PolarHBondContact O-N 3.13Å
56A93.6Very high91.1Very high62 Ų6264.3 Ų64.351%0.51233%0.331SS..Hα-helixtrans-60.8-45.8174.500000111.6F52 K59 A60F52-A56 PolarHBondContact O-N 3.03Å; A56-K59 PolarHBondContact O-N 3Å; A56-A60 PolarHBondContact O-N 3.11Å
57K92.3Very high90.9Very high110 Ų11065.6 Ų65.648%0.47834%0.336SS..Hα-helixtrans-62.6-43.8175.6-72.2170.5-177.7-176.90112.9L16 D53 S54 K59 A60 A61L16-K57 HydrophobicContact CD1-CB 4.44Å; D53-K57 VanDerWaalsContact O-CG 3.27Å; D53-K57 WeakPolarHBondContact O-CG 3.45Å; D53-K57 PolarHBondContact O-N 3.32Å; D53-K57 VanDerWaalsContact O-N 3.11Å; S54-K57 PolarHBondContact O-N 3.42Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-K59 PolarHBondContact O-N 3.35Å; K57-A60 PolarHBondContact O-N 3.11Å; K57-A61 WeakPolarHBondContact O-CB 3.26Å; K57-A61 PolarHBondContact O-N 3.15Å
58L93Very high90.8Very high2 Ų263.2 Ų63.21%0.0133%0.332CS..Hα-helixtrans-64.5-36.9176.3-72.5176000112.1L16 L24 M27 L28 S54 V55 A61 V62L16-L58 HydrophobicContact CD1-CD2 4.24Å; L16-L58 HydrophobicContact CD2-CD2 3.9Å; L24-L58 HydrophobicContact CD2-CD2 3.76Å; M27-L58 HydrophobicContact CB-CD1 3.78Å; M27-L58 HydrophobicContact CB-CD2 4.36Å; L28-L58 HydrophobicContact CB-CB 4.28Å; L28-L58 HydrophobicContact CB-CD1 4.2Å; L28-L58 HydrophobicContact CD1-CB 4.36Å; S54-L58 WeakPolarHBondContact O-CB 3.46Å; S54-L58 WeakPolarHBondContact O-CG 3.47Å; S54-L58 PolarHBondContact O-N 3.49Å; V55-L58 PolarHBondContact O-N 3.21Å; L58-A61 PolarHBondContact O-N 2.99Å; L58-V62 WeakPolarHBondContact O-CB 3.4Å; L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.27Å
59K93.6Very high90.7Very high102 Ų10268.1 Ų68.144%0.44335%0.351SS..Hα-helixtrans-64.2-43.3174.5-77.1178.3-179.8-178.10111.9L28 E32 V55 A56 K57 A63L28-K59 HydrophobicContact CD1-CD 4.47Å; L28-K59 HydrophobicContact CD1-CG 3.51Å; E32-K59 WeakPolarHBondContact OE1-CE 3.32Å; E32-K59 IonicContact OE1-NZ 3.58Å; E32-K59 PolarHBondContact OE1-NZ 3.1Å; V55-K59 HydrophobicContact CG1-CD 4.1Å; V55-K59 WeakPolarHBondContact O-CB 2.77Å; V55-K59 WeakPolarHBondContact O-CG 3.47Å; V55-K59 PolarHBondContact O-N 3.13Å; A56-K59 PolarHBondContact O-N 3Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-K59 PolarHBondContact O-N 3.35Å; K59-A63 WeakPolarHBondContact O-CB 3.49Å; K59-A63 PolarHBondContact O-N 3.1Å; K59-A63 VanDerWaalsContact O-N 3.07Å
60A92.6Very high90.4Very high63 Ų6366.8 Ų66.852%0.52134%0.342SS..Hα-helixtrans-62-47.8174.500000112A56 K57 V62 A63 E64A56-A60 PolarHBondContact O-N 3.11Å; K57-A60 PolarHBondContact O-N 3.11Å; A60-V62 PolarHBondContact O-N 3.03Å; A60-A63 PolarHBondContact O-N 2.95Å; A60-E64 PolarHBondContact O-N 3.16Å
61A91.4Very high90.1Very high16 Ų1666.9 Ų66.913%0.13234%0.342CS..Hα-helixtrans-63.2-39.9179.500000113L24 K57 L58 H65L24-A61 HydrophobicContact CD1-CB 4.32Å; K57-A61 WeakPolarHBondContact O-CB 3.26Å; K57-A61 PolarHBondContact O-N 3.15Å; L58-A61 PolarHBondContact O-N 2.99Å; A61-H65 WeakPolarHBondContact O-CB 3.39Å; A61-H65 PolarHBondContact O-N 2.88Å
62V92.1Very high89.4Confident16 Ų1669 Ų6910%0.09736%0.358CS..Hα-helixtrans-65.3-41.5174.6170.80000111.1L24 R25 L58 A60 H65 E66L24-V62 HydrophobicContact CB-CG2 3.75Å; R25-V62 HydrophobicContact CG-CG1 4.28Å; R25-V62 HydrophobicContact CG-CG2 4.25Å; L58-V62 WeakPolarHBondContact O-CB 3.4Å; L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.27Å; A60-V62 PolarHBondContact O-N 3.03Å; V62-H65 PolarHBondContact O-N 3.05Å; V62-E66 WeakPolarHBondContact O-CG 3.47Å; V62-E66 PolarHBondContact O-N 3.26Å
63A92.8Very high88.9Confident48 Ų4867.9 Ų67.940%0.39735%0.354SS..Hα-helixtrans-62.7-47.7176.500000111.6K59 A60 H65 E66 E67K59-A63 WeakPolarHBondContact O-CB 3.49Å; K59-A63 PolarHBondContact O-N 3.1Å; K59-A63 VanDerWaalsContact O-N 3.07Å; A60-A63 PolarHBondContact O-N 2.95Å; A63-H65 VanDerWaalsContact C-N 3.35Å; A63-H65 PolarHBondContact O-N 3.19Å; A63-E66 PolarHBondContact O-N 2.7Å; A63-E67 WeakPolarHBondContact O-CG 3.27Å; A63-E67 PolarHBondContact O-N 3.24Å
64E91.1Very high88.3Confident133 Ų13370 Ų7062%0.62137%0.365SS*.Hα-helixtrans-56-47.9175.3-177.9-178.3-176.800111.8A60 E66 E67 V68A60-E64 PolarHBondContact O-N 3.16Å; E64-E66 VanDerWaalsContact C-N 3.25Å; E64-E66 PolarHBondContact O-N 3.04Å; E64-E67 PolarHBondContact O-N 2.95Å; E64-E67 VanDerWaalsContact O-N 3.13Å; E64-V68 WeakPolarHBondContact O-CG2 3.25Å; E64-V68 PolarHBondContact O-N 3.13Å
65H87.9Confident87.1Confident71 Ų7175.4 Ų75.433%0.32939%0.385SS..Hα-helixtrans-66.7-27.7-178.9-152.3-41000112.5L21 A61 V62 A63 R69L21-H65 HydrophobicContact CD1-CB 4.37Å; A61-H65 WeakPolarHBondContact O-CB 3.39Å; A61-H65 PolarHBondContact O-N 2.88Å; V62-H65 PolarHBondContact O-N 3.05Å; A63-H65 VanDerWaalsContact C-N 3.35Å; A63-H65 PolarHBondContact O-N 3.19Å; H65-R69 WeakPolarHBondContact O-CB 3.48Å; H65-R69 PolarHBondContact O-N 2.85Å
66E88.6Confident85.6Confident43 Ų4382 Ų8220%0.20142%0.415CS..Hα-helixtrans-76.9-35.6170.5-75.6-176.9-162.200113.5L21 R25 V62 A63 E64 R69 R70L21-E66 HydrophobicContact CD1-CG 4.04Å; R25-E66 IonicContact CZ-OE1 3.58Å; R25-E66 IonicContact NE-OE1 2.69Å; R25-E66 IonicContact NH2-OE1 3.12Å; R25-E66 PolarHBondContact NH2-OE1 3.36Å; V62-E66 WeakPolarHBondContact O-CG 3.47Å; V62-E66 PolarHBondContact O-N 3.26Å; A63-E66 PolarHBondContact O-N 2.7Å; E64-E66 VanDerWaalsContact C-N 3.25Å; E64-E66 PolarHBondContact O-N 3.04Å; E66-R69 PolarHBondContact O-N 3.49Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 WeakPolarHBondContact O-CG 3.41Å; E66-R70 PolarHBondContact O-N 3.21Å
67E88.2Confident83.9Confident76 Ų7683.5 Ų83.536%0.35542%0.419SS..Hα-helixtrans-66-44.3172.5-69-55.3145.900111.6A63 E64 R69 R70 K71A63-E67 WeakPolarHBondContact O-CG 3.27Å; A63-E67 PolarHBondContact O-N 3.24Å; E64-E67 PolarHBondContact O-N 2.95Å; E64-E67 VanDerWaalsContact O-N 3.13Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 3.2Å; E67-R70 PolarHBondContact O-N 2.93Å; E67-R70 IonicContact OE1-CZ 3.75Å; E67-R70 IonicContact OE1-NH1 2.78Å; E67-R70 PolarHBondContact OE1-NH1 3.17Å; E67-R70 IonicContact OE1-NH2 3.78Å; E67-R70 PolarHBondContact OE1-NH2 3.43Å; E67-R70 IonicContact OE2-CZ 3.01Å; E67-R70 IonicContact OE2-NH1 2.66Å; E67-R70 PolarHBondContact OE2-NH1 3.38Å; E67-R70 IonicContact OE2-NH2 3.6Å; E67-K71 WeakPolarHBondContact O-CB 3.38Å; E67-K71 VanDerWaalsContact O-CG 3.23Å; E67-K71 WeakPolarHBondContact O-CG 3.45Å; E67-K71 PolarHBondContact O-N 3.49Å
68V86.7Confident82Confident84 Ų8483.8 Ų83.851%0.50943%0.43SS..Hα-helixtrans-59.8-44.4175.11720000110.2E64 K71 S72E64-V68 WeakPolarHBondContact O-CG2 3.25Å; E64-V68 PolarHBondContact O-N 3.13Å; V68-K71 PolarHBondContact O-N 3.43Å; V68-S72 PolarHBondContact O-N 2.86Å; V68-S72 PolarHBondContact O-OG 3.46Å
69R84.6Confident80.1Confident102 Ų10288.1 Ų88.139%0.38546%0.461SS..Hα-helixtrans-60.5-52.7174.8-176.618061.8100.5-1.5111.6H65 E66 E67 K71 S72 E73H65-R69 WeakPolarHBondContact O-CB 3.48Å; H65-R69 PolarHBondContact O-N 2.85Å; E66-R69 PolarHBondContact O-N 3.49Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 3.2Å; R69-K71 VanDerWaalsContact C-N 3.28Å; R69-K71 PolarHBondContact O-N 3.07Å; R69-S72 WeakPolarHBondContact CA-OG 3.42Å; R69-S72 PolarHBondContact O-N 3.08Å; R69-S72 PolarHBondContact O-OG 3.23Å; R69-E73 WeakPolarHBondContact CD-OE1 3.29Å; R69-E73 HydrophobicContact CG-CG 4.32Å; R69-E73 VanDerWaalsContact CG-OE1 3.26Å; R69-E73 WeakPolarHBondContact CG-OE1 3.36Å; R69-E73 IonicContact CZ-OE1 3.13Å; R69-E73 IonicContact NE-OE1 2.74Å; R69-E73 IonicContact NH1-OE1 2.7Å; R69-E73 PolarHBondContact NH1-OE1 2.93Å; R69-E73 IonicContact NH1-OE2 3.26Å; R69-E73 WeakPolarHBondContact O-CG 3.38Å; R69-E73 PolarHBondContact O-N 2.87Å
70R84.8Confident78.2Confident113 Ų11390 Ų9043%0.42648%0.475SS..Hα-helixtrans-59.3-36.8179.2-80.9-170.1-95115.1-1.5112.7E66 E67 L74E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 WeakPolarHBondContact O-CG 3.41Å; E66-R70 PolarHBondContact O-N 3.21Å; E67-R70 PolarHBondContact O-N 2.93Å; E67-R70 IonicContact OE1-CZ 3.75Å; E67-R70 IonicContact OE1-NH1 2.78Å; E67-R70 PolarHBondContact OE1-NH1 3.17Å; E67-R70 IonicContact OE1-NH2 3.78Å; E67-R70 PolarHBondContact OE1-NH2 3.43Å; E67-R70 IonicContact OE2-CZ 3.01Å; E67-R70 IonicContact OE2-NH1 2.66Å; E67-R70 PolarHBondContact OE2-NH1 3.38Å; E67-R70 IonicContact OE2-NH2 3.6Å; R70-L74 PolarHBondContact O-N 3.27Å; R70-L74 VanDerWaalsContact O-N 3.09Å
71K84.8Confident76.3Confident120 Ų12094.7 Ų94.752%0.52249%0.491SS..Hα-helixtrans-63.9-48.3171.5-71.6166.8-173.91760111.2E67 V68 R69 E73 L74 F75E67-K71 WeakPolarHBondContact O-CB 3.38Å; E67-K71 VanDerWaalsContact O-CG 3.23Å; E67-K71 WeakPolarHBondContact O-CG 3.45Å; E67-K71 PolarHBondContact O-N 3.49Å; V68-K71 PolarHBondContact O-N 3.43Å; R69-K71 VanDerWaalsContact C-N 3.28Å; R69-K71 PolarHBondContact O-N 3.07Å; K71-E73 VanDerWaalsContact C-N 3.34Å; K71-E73 PolarHBondContact O-N 3.49Å; K71-L74 WeakPolarHBondContact O-CB 3.35Å; K71-L74 PolarHBondContact O-N 3.4Å; K71-L74 VanDerWaalsContact O-N 3.14Å; K71-F75 HydrophobicContact CB-CE2 4.28Å; K71-F75 WeakPolarHBondContact O-CD2 3.38Å; K71-F75 PolarHBondContact O-N 3.48Å
72S75.2Confident74.5Confident55 Ų5598.6 Ų98.639%0.38552%0.516SS..Hα-helixtrans-63.3-36.5177.966.90000113.4V68 R69 L74 F75 H76V68-S72 PolarHBondContact O-N 2.86Å; V68-S72 PolarHBondContact O-OG 3.46Å; R69-S72 WeakPolarHBondContact CA-OG 3.42Å; R69-S72 PolarHBondContact O-N 3.08Å; R69-S72 PolarHBondContact O-OG 3.23Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 PolarHBondContact O-N 3.25Å; S72-F75 PolarHBondContact O-N 2.84Å; S72-H76 PolarHBondContact O-N 3.32Å
73E79.6Confident72.7Confident92 Ų92107.1 Ų107.143%0.4355%0.552SS.*Hα-helixtrans-62-38.6172.6-71.7167.1176.200111.4R69 K71 P77R69-E73 WeakPolarHBondContact CD-OE1 3.29Å; R69-E73 HydrophobicContact CG-CG 4.32Å; R69-E73 VanDerWaalsContact CG-OE1 3.26Å; R69-E73 WeakPolarHBondContact CG-OE1 3.36Å; R69-E73 IonicContact CZ-OE1 3.13Å; R69-E73 IonicContact NE-OE1 2.74Å; R69-E73 IonicContact NH1-OE1 2.7Å; R69-E73 PolarHBondContact NH1-OE1 2.93Å; R69-E73 IonicContact NH1-OE2 3.26Å; R69-E73 WeakPolarHBondContact O-CG 3.38Å; R69-E73 PolarHBondContact O-N 2.87Å; K71-E73 VanDerWaalsContact C-N 3.34Å; K71-E73 PolarHBondContact O-N 3.49Å; E73-P77 VanDerWaalsContact O-CD 3.23Å; E73-P77 WeakPolarHBondContact O-CD 3.24Å
74L78Confident70.8Confident123 Ų123112.8 Ų112.864%0.64458%0.575SS**Hα-helixtrans-70.8-31.5174.9-176.264.4000113.5R70 K71 S72 P77R70-L74 PolarHBondContact O-N 3.27Å; R70-L74 VanDerWaalsContact O-N 3.09Å; K71-L74 WeakPolarHBondContact O-CB 3.35Å; K71-L74 PolarHBondContact O-N 3.4Å; K71-L74 VanDerWaalsContact O-N 3.14Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 PolarHBondContact O-N 3.25Å; L74-P77 WeakPolarHBondContact O-CD 3.34Å
75F65.4Low68.8Low142 Ų142118.2 Ų118.262%0.62359%0.589SS**Hα-helixtrans-83.2-20.9177.4-69.4-60.9000113.8K71 S72 V78K71-F75 HydrophobicContact CB-CE2 4.28Å; K71-F75 WeakPolarHBondContact O-CD2 3.38Å; K71-F75 PolarHBondContact O-N 3.48Å; S72-F75 PolarHBondContact O-N 2.84Å; F75-V78 PolarHBondContact O-N 2.82Å
76H61.2Low67Low148 Ų148124.1 Ų124.169%0.68562%0.617SS**G310 helixtrans-59.4-40.3179.8-100.2-42.5000116.1S72 V78S72-H76 PolarHBondContact O-N 3.32Å; H76-V78 VanDerWaalsContact C-N 3.32Å; H76-V78 PolarHBondContact O-N 3.37Å
77P58.8Low65.1Low94 Ų94132.3 Ų132.361%0.6165%0.652SS**G310 helixtrans-75.6-1217827.4-34.4000114.9E73 L74E73-P77 VanDerWaalsContact O-CD 3.23Å; E73-P77 WeakPolarHBondContact O-CD 3.24Å; L74-P77 WeakPolarHBondContact O-CD 3.34Å
78V51.3Low62.9Low117 Ų117132.5 Ų132.571%0.70968%0.675SS**G310 helixtrans-91-12.9-170.1-176.60000113.4F75 H76 L80F75-V78 PolarHBondContact O-N 2.82Å; H76-V78 VanDerWaalsContact C-N 3.32Å; H76-V78 PolarHBondContact O-N 3.37Å; V78-L80 PolarHBondContact O-N 2.94Å
79S54.3Low60.7Low93 Ų93137 Ų13765%0.6569%0.694SS**SBendtrans-92.417.6-174.1-168.60000115.2
80L53.8Low58.7Low142 Ų142136.6 Ų136.674%0.74371%0.712SS**SBendtrans-109.825.3-172.4-68.6-176.4000115.8V78V78-L80 PolarHBondContact O-N 2.94Å
81D52.4Low56.4Low161 Ų161140.4 Ų140.486%0.86174%0.735SS**SBendtrans-154.280.2167.3-132.7-12.6000115
82C52.1Low54.1Low97 Ų97141.3 Ų141.366%0.65575%0.75SS**  trans-154.730.5173.563.70000116.6
83K55.7Low52.3Low196 Ų196146.2 Ų146.285%0.85277%0.772SS**  trans-145.364.7174.4-65.6-63.8164.2-1690116.1
84L53.1Low50.6Low166 Ų166147.8 Ų147.887%0.86979%0.788SS**  trans-156.789.3153.1-166.966.5000114.1
85R47.6Very low48.3Very low247 Ų247145.3 Ų145.393%0.93279%0.792SS**  trans-176.168.3153.9-104.7162.2-165.4-86.21.1112.4
86Q51.2Low47.1Very low195 Ų195144.7 Ų144.791%0.91180%0.8SS**  trans-14472.5162.2-82.8-167.3-8.900110.9
87K47.7Very low45.8Very low216 Ų216145.2 Ų145.294%0.93981%0.808SS**  trans-152.8130.1154.8-72.2-158.9176.7-172.90107.5
88G41.7Very low45Very low80 Ų80150 Ų15083%0.82582%0.819SS**  trans149.618.5176.700000119
89I41.5Very low44.1Very low178 Ų178149.5 Ų149.591%0.91383%0.827SS**  trans-140.693163.5-50.5178000109.8
90A43.2Very low43.4Very low94 Ų94153.5 Ų153.578%0.77784%0.835SS**  trans-166.1150.4157.900000107.5
91E36.3Very low42.3Very low193 Ų193154.1 Ų154.190%0.90284%0.839SS**  trans67.276.9-178.5-59.9-174.514200116.6
92V36.3Very low41.7Very low139 Ų139151.8 Ų151.884%0.84284%0.836SS**  trans-122105.8132.2171.90000106.3
93D36.1Very low41Very low157 Ų157154.7 Ų154.784%0.8485%0.845SS**  trans-74.9141.4173.9-17424.4000110
94V44.4Very low41.1Very low125 Ų125150.9 Ų150.976%0.75884%0.84SS**  trans-121.3105.8-176174.80000109
95G31Very low40.2Very low71 Ų71151.4 Ų151.473%0.73284%0.842SS**  trans-149.2101.3172.600000110.8
96T39.1Very low39.8Very low130 Ų130147.5 Ų147.580%0.79884%0.839SS**  trans-140.597.1177.4-42.50000110.4
97D34.9Very low38.7Very low159 Ų159145.2 Ų145.285%0.8583%0.833SS**  trans-134.9111.5168.3-93.8-44.6000112.7
98K40.5Very low38.2Very low195 Ų195140.2 Ų140.285%0.84882%0.821SS**  trans23.6120143.4-56.7-74.4-176.51720119.4
99A32.7Very low37.9Very low105 Ų105141.1 Ų141.187%0.86881%0.814SS**  -167.4154.9115.100000112
100Q39.6Very low37.7Very low177 Ų177137.7 Ų137.783%0.82781%0.806SS**  trans-87.5162.4179.1-61.1162.6-62.100111.4
101N32.2Very low37.3Very low155 Ų155140.6 Ų140.683%0.82981%0.807SS**  179.7129.4129.4-88.6-34.7000114.3
102S39.1Very low37.5Very low112 Ų112137.8 Ų137.878%0.78380%0.803SS**  trans64135.9150.150.30000123.4
103D37.3Very low37.9Very low159 Ų159137 Ų13785%0.8580%0.801SS**  trans-91.4-153.1-178.7-51.6-77.8000113.6
104P57.8Low37.6Very low116 Ų116132.7 Ų132.775%0.75379%0.794SS**  -133.3151.4-94.740.6-22.7000115.6
105I34.8Very low36.9Very low176 Ų176132.6 Ų132.690%0.90380%0.798SS**  trans-139.4147.9161.8-60-175.2000111.3
106L38.1Very low37.1Very low165 Ų165134.7 Ų134.786%0.86480%0.801SS**  trans-85.8161.8-167.3-60.5163.1000115.4
107D28.5Very low37Very low147 Ų147133.8 Ų133.879%0.78680%0.8SS**  110.4154.3128.7-147.914.2000120.3
108T38.3Very low36.9Very low112 Ų112131.7 Ų131.769%0.68779%0.793SS**  trans93.586.3167.968.30000119.3
109S35.3Very low36.7Very low99 Ų99128.5 Ų128.569%0.69279%0.785SS**  52.4110.4128.662.40000120.1
110S37.3Very low36.7Very low105 Ų105129.4 Ų129.473%0.73478%0.775SS**  94.1146.994.188.80000112.6
111L34.7Very low36.6Very low155 Ų155127.8 Ų127.881%0.81277%0.77SS**  cis-152.6140.13.2-126.1155000109
112V38.8Very low36.9Very low134 Ų134129.2 Ų129.281%0.81277%0.769SS**  trans-103.3130.9166.3167.60000106.7
113P46.5Very low36.6Very low122 Ų122128.5 Ų128.579%0.79277%0.765SS**  -148.1175.999.630.1-7.9000113.1
114G28.2Very low36.7Very low67 Ų67126.4 Ų126.469%0.69176%0.762SS**  cis155163.73.200000109.8
115C29.4Very low35.5Very low124 Ų124129.7 Ų129.784%0.83877%0.765SS**  trans-81.5171.7-163.1-530000116.1
116S35.5Very low35.2Very low115 Ų115126.4 Ų126.480%0.80475%0.753SS**  trans75.8163.9153.983.50000116.6
117S37.5Very low34.8Very low110 Ų110124.5 Ų124.577%0.76975%0.748SS**  cis-152-169.84.6-149.40000112.9
118V33Very low35Very low116 Ų116122.1 Ų122.170%0.70374%0.743SS**  trans-73167.8-162.2-135.60000117.8
119D36.4Very low34.8Very low127 Ų127125.2 Ų125.268%0.67975%0.75SS**  trans109.4110134.2-78.4-28.2000123.3
120N33.4Very low34.8Very low125 Ų125127.4 Ų127.467%0.66875%0.754SS**  90.5127.3120.4-77.9-38.2000126
121I37Very low34.7Very low142 Ų142132.2 Ų132.273%0.72877%0.765SS**  trans87.3102.2133.8-66167.4000121.7
122K37.2Very low34.2Very low185 Ų185128 Ų12880%0.80476%0.759SS**  66121.6121.1-163.5178.1-179.5-178.60123.4
123S34.4Very low33.9Very low98 Ų98130.6 Ų130.669%0.68577%0.767SS**  trans54.4138.1149.2-54.70000119.7
124S37.7Very low33Very low114 Ų114128.2 Ų128.280%0.79777%0.765SS**  -177145.566.6-60.50000114.8
125K33Very low33.2Very low186 Ų186133.3 Ų133.381%0.80977%0.77SS**  trans26.4140.1135.5-136.9-167178.5178.80123.9
126T28.8Very low34.1Very low107 Ų107133.6 Ų133.666%0.65677%0.77SS**  trans88123.2140.622.80000124.4
127T30.2Very low33.9Very low124 Ų124133.3 Ų133.376%0.76176%0.764SS**  trans72.4115136-54.10000121.4
128S33.3Very low33.5Very low98 Ų98136.8 Ų136.869%0.68577%0.768SS**  172.7148.694.5-1540000116.6
129Q33.1Very low33.6Very low177 Ų177139.3 Ų139.383%0.82777%0.772SS**  trans85.8147.7143.5-127.6161.6-11.200123.2
130N35.4Very low33.2Very low145 Ų145136.7 Ų136.778%0.77578%0.775SS**  trans-118.5162.1-155.4-52.5-45.2000114.1
131Q34.5Very low33Very low206 Ų206139.3 Ų139.396%0.96379%0.789SS**  trans177135.5143.8-99.6162.1102.700108.1
132G25.5Very low32.8Very low66 Ų66135.3 Ų135.368%0.6878%0.783SS**  cis174.5149.2-11.900000111.3
133L32.5Very low32.6Very low189 Ų189136.1 Ų136.199%0.9979%0.789SS**  trans61.8137.2164-63.3140.7000118.8
134G27.4Very low32.5Very low72 Ų72137.6 Ų137.674%0.74279%0.794SS**  cis-175.7154.1-4.400000112.9
135H32.6Very low32.8Very low174 Ų174137.4 Ų137.481%0.80679%0.791SS**  trans-79.7176.7173.7-88.4-98.7000112
136P47.2Very low32.6Very low129 Ų129137.2 Ų137.284%0.83879%0.792SS**  -135.2158.396.137.6-27.6000115.1
137T31.7Very low32.7Very low110 Ų110138.7 Ų138.768%0.67580%0.801SS**  trans-112.5148.6167.1-57.20000108
138H29Very low32.7Very low183 Ų183139.7 Ų139.785%0.84780%0.797SS**  trans-146.4143.9158.6-164.3-83.2000110.2
139E34.3Very low32.6Very low168 Ų168145.5 Ų145.579%0.78581%0.806SS**  trans-101.3179.8-176.7-52.5-162.6158.400111.9
140G28Very low32.5Very low73 Ų73142.4 Ų142.475%0.75380%0.799SS**  trans135.391.9161.500000115.9
141D30.4Very low32.3Very low180 Ų180140.9 Ų140.996%0.96379%0.794SS**  trans39.4146.2133.5-151.612.8000122.4
142G31.9Very low32.3Very low58 Ų58139 Ų13960%0.59879%0.789SS**  trans129.9102.9162.300000118.6
143E33.2Very low32.8Very low201 Ų201144.5 Ų144.594%0.93980%0.795SS**  trans70.5140.4143.1-57.9-171.4133.600123.3
144T32.8Very low32.8Very low129 Ų129138.8 Ų138.879%0.79178%0.781SS**  trans-83.3156172.449.70000112.5
145P43.2Very low33.5Very low111 Ų111141.5 Ų141.572%0.72179%0.786SS**  -130.2157.390.55.218.3000113.6
146E28.8Very low33.4Very low181 Ų181138.3 Ų138.385%0.84679%0.79SS**  39.7131.593.5-51-168.515300114.1
147V31.9Very low32.9Very low139 Ų139138 Ų13884%0.84279%0.791SS**  cis-144.3175.315.2-129.20000106.9
148E30.8Very low33.2Very low145 Ų145137.1 Ų137.168%0.67879%0.788SS**  cis-15016110.3-174.5-172.1-167.200109.2T150E148-T150 HydrophobicContact CG-CG2 4.38Å
149Y30.5Very low33.4Very low220 Ų220135 Ų13586%0.86378%0.783SS**  trans-125102.4166.3-56.5-94.4000110.5V151Y149-V151 PolarHBondContact O-N 3.46Å
150T31.3Very low33.4Very low111 Ų111137.3 Ų137.368%0.68179%0.785SS**  trans-76.886177.542.60000112E148 I152E148-T150 HydrophobicContact CG-CG2 4.38Å; T150-I152 PolarHBondContact O-N 3.11Å
151V30.1Very low33.6Very low113 Ų113140.5 Ų140.569%0.68579%0.785SS**  trans-64.9119.7165.3171.80000109.8Y149 K153Y149-V151 PolarHBondContact O-N 3.46Å; V151-K153 HydrophobicContact CG1-CG 3.96Å
152I36.3Very low33.7Very low166 Ų166143.9 Ų143.985%0.85178%0.784SS**  trans-101.4100162.3-59.1-176.5000108.8T150T150-I152 PolarHBondContact O-N 3.11Å
153K35.8Very low33.9Very low183 Ų183147 Ų14780%0.79679%0.791SS**PPolyproline II helixtrans-72.8136.5162.6-71.9179.7178.4176.80108.8V151V151-K153 HydrophobicContact CG1-CG 3.96Å
154G31.9Very low34.4Very low68 Ų68143.7 Ų143.770%0.70179%0.787SS**PPolyproline II helixtrans-78.5173.1162.100000111.8
155P42.4Very low34.3Very low130 Ų130142.7 Ų142.784%0.84479%0.786SS**PPolyproline II helixtrans-100.3139.6164.834.8-27.7000111.7
156A29.3Very low33.7Very low107 Ų107142.9 Ų142.988%0.88479%0.789SS**PPolyproline II helixtrans-81.1154.7163.500000110.5
157S36.9Very low33.8Very low123 Ų123138.9 Ų138.986%0.8678%0.781SS**  trans-140.6130.1162.7-172.10000109.6
158S37.7Very low33.9Very low90 Ų90141.4 Ų141.463%0.62978%0.784SS**  trans-98.4153.4-179.7590000111.3
159N33.9Very low33.8Very low139 Ų139138.6 Ų138.674%0.74379%0.786SS**  168.8124.9115.9-80.5-24000113.8
160R33.7Very low33.9Very low216 Ų216132.7 Ų132.782%0.81578%0.776SS**  trans59.6113.7140-63.3-164.1169.4178.1-4122.8
161D32Very low34.2Very low141 Ų141135.7 Ų135.775%0.75478%0.783SS**  55.2105.8116.4-45.7-36.9000121.3
162R32.9Very low34.2Very low250 Ų250139 Ų13994%0.94379%0.79SS**  trans-153.4125.1134.4-135.9174.2-161.1-131.60.5114.2
163V35.9Very low34.2Very low124 Ų124138.2 Ų138.275%0.75278%0.783SS**  trans-84.7144.3173165.60000109
164P45.1Very low34.4Very low132 Ų132135.1 Ų135.186%0.85778%0.782SS**  -144.3168.193.432.8-11.4000117.5
165S28.9Very low34.6Very low108 Ų108138.9 Ų138.976%0.75578%0.781SS**  trans-90.2164-164-39.20000117
166S31.9Very low34.1Very low114 Ų114140.7 Ų140.780%0.79778%0.777SS**  trans156157.1140.946.30000110.1
167S31.2Very low34Very low97 Ų97143.7 Ų143.768%0.67877%0.773SS**  cis-165.8139.2-30-840000106.8
168E32.8Very low34.1Very low193 Ų193143.9 Ų143.990%0.90277%0.769SS**  trans49.6169.4152.5-62.8176.1141.800120.8
169A30.1Very low34.1Very low86 Ų86145.2 Ų145.271%0.71178%0.778SS**  cis-167.2159.3-47.300000107.9
170S32.3Very low34.3Very low95 Ų95144 Ų14466%0.66478%0.78SS**  trans51.7108.1161.8-152.90000118.9
171Q38.2Very low34.4Very low175 Ų175141.9 Ų141.982%0.81878%0.78SS**  42.812283.3-67.3-169.3-3.100116.1
172H29.7Very low35Very low182 Ų182139.9 Ų139.984%0.84378%0.782SS**  -165143.5117.5-102.7-70.5000111.9
173H34.9Very low35.5Very low150 Ų150135 Ų13569%0.69477%0.77SS**  trans-108.2155.7173.9-172.469.3000108.5
174P41.3Very low36Very low118 Ų118136.6 Ų136.677%0.76678%0.775SS**  trans-130.9137.9148.832.5-19.1000113.5
175Q36.1Very low36.1Very low147 Ų147136.4 Ų136.469%0.68777%0.771SS**  trans-92.3-171162.8-83-152.2-21.800111
176H30.6Very low36.9Very low167 Ų167135.9 Ų135.977%0.77377%0.767SS**  trans87.7140175.5-52.5-79.2000114.3
177H27.7Very low38Very low171 Ų171134.2 Ų134.279%0.79276%0.756SS**  cis-145.7154.310.7-146.9-84.1000111
178V39.2Very low39.2Very low127 Ų127133.9 Ų133.977%0.7775%0.754SS**  trans-79.6141.4171175.70000109.7
179S37.6Very low40.3Very low118 Ų118131.8 Ų131.883%0.82574%0.742SS**  trans-137.1129.4158.2-171.20000109.5
180S38.9Very low42.1Very low112 Ų112132.3 Ų132.378%0.78373%0.733SS**  trans-106.4120.1-17750.50000110.2
181Q34.3Very low43.7Very low173 Ų173132.9 Ų132.981%0.80873%0.728SS**  trans-143.6116.4163.7-167.7157.87.300109.6E183Q181-E183 HydrophobicContact CG-CG 4.37Å
182A45.7Very low45.4Very low98 Ų98130 Ų13081%0.8172%0.718SS**  trans-97.1120170.400000107.7
183E43.7Very low47.6Very low148 Ų148126.4 Ų126.469%0.69270%0.7SS**  trans-146.1134.6168-76.5-63.615800107.5Q181 T185Q181-E183 HydrophobicContact CG-CG 4.37Å; E183-T185 PolarHBondContact O-N 2.8Å; E183-T185 VanDerWaalsContact O-N 3.11Å
184D45.6Very low49.6Very low158 Ų158123.8 Ų123.885%0.84569%0.69SS**  trans-74.7101.7-165.7-69.3-60.8000113.1
185T47.3Very low51.1Low128 Ų128122.4 Ų122.479%0.78568%0.676SS**  trans-96.424.1175.347.70000113.7E183E183-T185 PolarHBondContact O-N 2.8Å; E183-T185 VanDerWaalsContact O-N 3.11Å
186S46.7Very low52.9Low96 Ų96123.7 Ų123.767%0.67168%0.675SS**SBendtrans-77.9-33.5-177.5-163.30000114.1
187S54.1Low54.8Low79 Ų79119.9 Ų119.955%0.55266%0.66SS**Hα-helixtrans-88.5-15.8-168.962.50000115.2N191S187-N191 PolarHBondContact O-ND2 3.41Å
188S55.7Low56.6Low91 Ų91118.1 Ų118.164%0.63665%0.652SS**Hα-helixtrans-73.5-37-173.7-173.80000112.8L192S188-L192 PolarHBondContact O-N 3.07Å
189F57.6Low57.8Low148 Ų148120.7 Ų120.765%0.64965%0.648SS**Hα-helixtrans-70.2-40-177.1-168.3-96.2000112.6L192 F193F189-L192 PolarHBondContact O-N 3.28Å; F189-F193 PolarHBondContact O-N 3.47Å
190D65.9Low58.9Low97 Ų97120.2 Ų120.252%0.51964%0.635SS.*Hα-helixtrans-64.8-42.7-178.9-69.3-16.7000111.7L192 F193 I194D190-L192 PolarHBondContact O-N 2.89Å; D190-F193 WeakPolarHBondContact O-CB 3.49Å; D190-F193 PolarHBondContact O-N 3.03Å; D190-F193 VanDerWaalsContact O-N 3.13Å; D190-I194 VanDerWaalsContact O-CG1 3.27Å; D190-I194 WeakPolarHBondContact O-CG1 3.45Å; D190-I194 PolarHBondContact O-N 3.29Å
191N67Low59.7Low107 Ų107120.3 Ų120.357%0.57263%0.631SS**Hα-helixtrans-61.2-42.7176.5-73.3-64.1000112S187 F193 I194 D195S187-N191 PolarHBondContact O-ND2 3.41Å; N191-F193 VanDerWaalsContact C-N 3.27Å; N191-F193 PolarHBondContact O-N 2.95Å; N191-I194 PolarHBondContact O-N 3.41Å; N191-D195 PolarHBondContact O-N 3.42Å
192L74.4Confident60.4Low114 Ų114119.4 Ų119.460%0.59763%0.63SS**Hα-helixtrans-65.3-30.7176.1-175.563.3000112.7S188 F189 D190 R196S188-L192 PolarHBondContact O-N 3.07Å; F189-L192 PolarHBondContact O-N 3.28Å; D190-L192 PolarHBondContact O-N 2.89Å; L192-R196 WeakPolarHBondContact O-CB 3.18Å; L192-R196 PolarHBondContact O-N 3Å
193F75.9Confident60.4Low107 Ų107118.3 Ų118.347%0.46962%0.621SS.*Hα-helixtrans-74.4-43.2175.7-174.3-104.8000112.1F189 D190 N191 R196 L197F189-F193 PolarHBondContact O-N 3.47Å; D190-F193 WeakPolarHBondContact O-CB 3.49Å; D190-F193 PolarHBondContact O-N 3.03Å; D190-F193 VanDerWaalsContact O-N 3.13Å; N191-F193 VanDerWaalsContact C-N 3.27Å; N191-F193 PolarHBondContact O-N 2.95Å; F193-R196 WeakPolarHBondContact O-CB 3Å; F193-R196 PolarHBondContact O-N 2.89Å; F193-R196 VanDerWaalsContact O-N 3.11Å; F193-L197 HydrophobicContact CD1-CD1 3.94Å; F193-L197 HydrophobicContact CD1-CG 4.48Å; F193-L197 HydrophobicContact CE1-CD1 3.44Å; F193-L197 VanDerWaalsContact CE1-CD1 3.44Å; F193-L197 HydrophobicContact CE1-CG 4.18Å; F193-L197 HydrophobicContact CZ-CD1 3.91Å; F193-L197 HydrophobicContact CZ-CG 4.32Å; F193-L197 PolarHBondContact O-N 3.43Å
194I75.6Confident60.7Low95 Ų95118.8 Ų118.849%0.48763%0.628SS.*Hα-helixtrans-59.2-48174.6-65.5-73.8000110.7D190 N191 R196 L197 Q198D190-I194 VanDerWaalsContact O-CG1 3.27Å; D190-I194 WeakPolarHBondContact O-CG1 3.45Å; D190-I194 PolarHBondContact O-N 3.29Å; N191-I194 PolarHBondContact O-N 3.41Å; I194-R196 PolarHBondContact O-N 3.2Å; I194-L197 PolarHBondContact O-N 2.84Å; I194-Q198 PolarHBondContact O-N 3.34Å
195D72.9Confident60.6Low90 Ų90120 Ų12048%0.48163%0.629SS.*Hα-helixtrans-58.3-33.6174.3-103.823.7000112.8N191 R199N191-D195 PolarHBondContact O-N 3.42Å; D195-R199 PolarHBondContact O-NE 3.25Å; D195-R199 PolarHBondContact O-NH2 3.42Å
196R73.8Confident60.3Low173 Ų173116.6 Ų116.665%0.65362%0.619SS**Hα-helixtrans-73.5-34.8176.3-169.9175.7-178.8-176.2-0.3112.1L192 F193 I194 I200L192-R196 WeakPolarHBondContact O-CB 3.18Å; L192-R196 PolarHBondContact O-N 3Å; F193-R196 WeakPolarHBondContact O-CB 3Å; F193-R196 PolarHBondContact O-N 2.89Å; F193-R196 VanDerWaalsContact O-N 3.11Å; I194-R196 PolarHBondContact O-N 3.2Å; R196-I200 WeakPolarHBondContact O-CD1 3.18Å; R196-I200 WeakPolarHBondContact O-CG1 3.32Å
197L70.6Confident60.2Low88 Ų88120.1 Ų120.146%0.46163%0.625SS.*Hα-helixtrans-76.3-39.4177.2-70.3-180000112.9F193 I194 R199 I200F193-L197 HydrophobicContact CD1-CD1 3.94Å; F193-L197 HydrophobicContact CD1-CG 4.48Å; F193-L197 HydrophobicContact CE1-CD1 3.44Å; F193-L197 VanDerWaalsContact CE1-CD1 3.44Å; F193-L197 HydrophobicContact CE1-CG 4.18Å; F193-L197 HydrophobicContact CZ-CD1 3.91Å; F193-L197 HydrophobicContact CZ-CG 4.32Å; F193-L197 PolarHBondContact O-N 3.43Å; I194-L197 PolarHBondContact O-N 2.84Å; L197-R199 PolarHBondContact O-N 2.97Å; L197-I200 HydrophobicContact CD2-CD1 4.41Å; L197-I200 WeakPolarHBondContact O-CA 3.5Å; L197-I200 WeakPolarHBondContact O-CB 3.47Å; L197-I200 PolarHBondContact O-N 3.48Å
198Q65.8Low59.3Low134 Ų134125.8 Ų125.863%0.62664%0.642SS**Hα-helixtrans-60.2-33.1176.2-88.6-175-21.700112.7I194 I200 T201I194-Q198 PolarHBondContact O-N 3.34Å; Q198-I200 PolarHBondContact O-N 2.85Å; Q198-T201 PolarHBondContact O-N 2.9Å; Q198-T201 PolarHBondContact O-OG1 2.81Å
199R64.3Low58.5Low180 Ų180129.9 Ų129.968%0.67965%0.652SS**THydrogen-bonded Turntrans-67.3-8.5172.7-75.1-178.9-68.7-145.2-7.1114.7D195 L197D195-R199 PolarHBondContact O-NE 3.25Å; D195-R199 PolarHBondContact O-NH2 3.42Å; L197-R199 PolarHBondContact O-N 2.97Å
200I60.8Low57.6Low109 Ų109128.6 Ų128.656%0.55966%0.661SS**THydrogen-bonded Turntrans-102.518.6177.5-52.5166.2000110.3R196 L197 Q198 I202R196-I200 WeakPolarHBondContact O-CD1 3.18Å; R196-I200 WeakPolarHBondContact O-CG1 3.32Å; L197-I200 HydrophobicContact CD2-CD1 4.41Å; L197-I200 WeakPolarHBondContact O-CA 3.5Å; L197-I200 WeakPolarHBondContact O-CB 3.47Å; L197-I200 PolarHBondContact O-N 3.48Å; Q198-I200 PolarHBondContact O-N 2.85Å; I200-I202 PolarHBondContact O-N 2.89Å
201T55.2Low56.4Low114 Ų114132.6 Ų132.670%0.69968%0.676SS**  trans-66.299.7169.2-52.80000109.5Q198 A203Q198-T201 PolarHBondContact O-N 2.9Å; Q198-T201 PolarHBondContact O-OG1 2.81Å; T201-A203 PolarHBondContact O-N 3.28Å; T201-A203 VanDerWaalsContact O-N 3.15Å
202I50.1Low55Low154 Ų154135.1 Ų135.179%0.7969%0.685SS**  trans-68.6108.8172.5-58.9174.5000107.1I200 D204I200-I202 PolarHBondContact O-N 2.89Å; I202-D204 PolarHBondContact O-N 3.32Å
203A45.2Very low53.1Low74 Ų74136.1 Ų136.161%0.61269%0.691SS**  trans-66.9116.6171.400000109.1T201 Q205T201-A203 PolarHBondContact O-N 3.28Å; T201-A203 VanDerWaalsContact O-N 3.15Å; A203-Q205 VanDerWaalsContact C-N 3.28Å; A203-Q205 PolarHBondContact O-N 3.13Å
204D50.5Low51.3Low159 Ų159135.6 Ų135.685%0.8571%0.706SS**  trans-69.685.9169.7-173.226.8000108.8I202 G206I202-D204 PolarHBondContact O-N 3.32Å; D204-G206 VanDerWaalsContact C-N 3.27Å; D204-G206 PolarHBondContact O-N 2.81Å
205Q43.6Very low49.5Very low183 Ų183136.3 Ų136.386%0.85572%0.719SS**  trans-77.386.9172.1-76.8-163.368.900108.9A203A203-Q205 VanDerWaalsContact C-N 3.28Å; A203-Q205 PolarHBondContact O-N 3.13Å
206G39.9Very low48.3Very low56 Ų56138.6 Ų138.658%0.57774%0.737SS**  trans-53.8145.1166.400000112D204D204-G206 VanDerWaalsContact C-N 3.27Å; D204-G206 PolarHBondContact O-N 2.81Å
207E44.9Very low47.2Very low170 Ų170138.5 Ų138.579%0.79474%0.741SS**  trans-9.9121.1171.3-55.6-177.8178.100117.5
208Q35.3Very low46.2Very low198 Ų198141.7 Ų141.793%0.92576%0.759SS**  trans-123113144-70.5-155.2-9.300110.2
209Q40Very low44.9Very low178 Ų178143.3 Ų143.383%0.83277%0.771SS**  trans-74.5134.2165.3-59.1172.10.800108.5
210S37.1Very low43.8Very low120 Ų120140.6 Ų140.684%0.83978%0.775SS**  trans-156.2143.9155.3-167.40000109.5
211E41Very low42.9Very low181 Ų181143 Ų14385%0.84679%0.789SS**  trans-88.6171.2-159.6-63.1165.9114.100114.3
212E37.2Very low42.4Very low161 Ų161145.5 Ų145.575%0.75280%0.797SS**  trans70.9102.3143.5-129.2-161-160.800119.5
213N34.8Very low42Very low135 Ų135143.4 Ų143.472%0.72280%0.796SS**  174.1154.496.1-94.9-71.2000114.6
214A39.3Very low42Very low96 Ų96145 Ų14579%0.79380%0.802SS**  trans-56.6132.5-16600000118.8
215S37.1Very low41.7Very low109 Ų109140.8 Ų140.876%0.76280%0.797SS**  trans-161.592.1140.9-170.10000112.3K217S215-K217 PolarHBondContact O-N 2.75Å
216T48.2Very low42.2Very low139 Ų139137.6 Ų137.685%0.85379%0.79SS**  trans-92.755.4-174.846.80000113.7
217K49.4Very low43Very low171 Ų171143.7 Ų143.774%0.74380%0.803SS**  trans-141.9120.5177.5-60.2-178.1-173.21730113.2S215S215-K217 PolarHBondContact O-N 2.75Å
218N50.1Low44Very low155 Ų155145.1 Ų145.183%0.82981%0.807SS**  trans74.883.7166.2-45.7-41.6000117.2
219L39.8Very low45.9Very low167 Ų167141.2 Ų141.287%0.87479%0.787SS**  trans-142.638.7165.4-128.7168.1000112.2
220T41.3Very low48Very low124 Ų124135.9 Ų135.976%0.76177%0.768SS**  trans-113.5-10.9-175.1-23.50000114.2L222T220-L222 PolarHBondContact O-N 3.15Å
221D40.8Very low50.4Low159 Ų159136.6 Ų136.685%0.8576%0.758SS**SBendtrans-86.95.4-170.9-84.6-15.3000115.4
222L45.4Very low52.7Low166 Ų166135.2 Ų135.287%0.86975%0.746SS**SBendtrans-129.651.8-172.6-64.9175.5000113.7T220T220-L222 PolarHBondContact O-N 3.15Å
223S41.1Very low55.3Low111 Ų111130.7 Ų130.778%0.77673%0.725SS**  trans-147.2-5.7169.469.50000117.6G225S223-G225 PolarHBondContact O-N 3.33Å
224S45.3Very low57.8Low106 Ų106129 Ų12974%0.74171%0.713SS**  trans-87.550.8176.571.20000113.4T226S224-T226 PolarHBondContact O-N 2.82Å
225G44.7Very low60.3Low72 Ų72126.1 Ų126.174%0.74269%0.686SS**  trans-68.983.1165.300000109.5S223 Q227S223-G225 PolarHBondContact O-N 3.33Å; G225-Q227 PolarHBondContact O-N 3.31Å
226T52.8Low62.7Low115 Ų115125.5 Ų125.571%0.70667%0.673SS**  trans-59.2113.7-176.248.40000110.1S224 K228S224-T226 PolarHBondContact O-N 2.82Å; T226-K228 PolarHBondContact O-N 3.3Å
227Q57.2Low64.7Low184 Ų184121.9 Ų121.986%0.8665%0.647SS**  trans-54.1112.3164.2-67.4-178.7-3.500106.7G225 K229G225-Q227 PolarHBondContact O-N 3.31Å; Q227-K229 VanDerWaalsContact C-N 3.34Å; Q227-K229 PolarHBondContact O-N 2.82Å
228K66Low66.4Low201 Ų201119.5 Ų119.587%0.87464%0.64SS**  trans-64.597.3-177.6-71.2-175.2179.3179.30108.3T226T226-K228 PolarHBondContact O-N 3.3Å
229K75.6Confident68.1Low116 Ų116120.2 Ų120.250%0.50463%0.631SS.*  trans-53.1139.7168.7-66-178-176.5177.50107.5Q227 H231 M233 E237Q227-K229 VanDerWaalsContact C-N 3.34Å; Q227-K229 PolarHBondContact O-N 2.82Å; K229-H231 PolarHBondContact O-N 3.02Å; K229-M233 HydrophobicContact CB-CB 4.15Å; K229-E237 WeakPolarHBondContact CD-OE1 3.28Å; K229-E237 IonicContact NZ-OE1 3.2Å; K229-E237 PolarHBondContact NZ-OE1 3.1Å; K229-E237 IonicContact NZ-OE2 2.8Å; K229-E237 PolarHBondContact NZ-OE2 3.28Å
230P84.1Confident70.2Confident66 Ų66116.2 Ų116.243%0.42962%0.622SS.*  trans-59.8141.9176.827.5-35.4000109Y232 M233P230-Y232 HydrophobicContact CB-CD1 3.73Å; P230-Y232 HydrophobicContact CB-CE1 3.53Å; P230-Y232 HydrophobicContact CG-CD1 3.87Å; P230-Y232 HydrophobicContact CG-CE1 3.29Å; P230-Y232 PolarHBondContact O-N 2.91Å; P230-M233 HydrophobicContact CG-CB 4.4Å; P230-M233 HydrophobicContact CG-CG 3.97Å; P230-M233 WeakPolarHBondContact O-CB 3.41Å; P230-M233 PolarHBondContact O-N 3.14Å
231H87.4Confident72.3Confident135 Ų135118.5 Ų118.563%0.62562%0.621SS**Hα-helixtrans-51.5-31.6-169.5178.958.5000114.2K229 M233 E234 V235K229-H231 PolarHBondContact O-N 3.02Å; H231-M233 VanDerWaalsContact C-N 3.31Å; H231-M233 PolarHBondContact O-N 2.81Å; H231-E234 IonicContact ND1-OE2 2.93Å; H231-E234 PolarHBondContact ND1-OE2 3.08Å; H231-E234 PolarHBondContact O-N 3.32Å; H231-V235 WeakPolarHBondContact O-CG2 3.38Å; H231-V235 PolarHBondContact O-N 2.89Å
232Y90Very high74.4Confident151 Ų151116.9 Ų116.959%0.59261%0.612SS**Hα-helixtrans-62.5-33.9175.677.5-96.8000113.4P230 V235 L236P230-Y232 HydrophobicContact CB-CD1 3.73Å; P230-Y232 HydrophobicContact CB-CE1 3.53Å; P230-Y232 HydrophobicContact CG-CD1 3.87Å; P230-Y232 HydrophobicContact CG-CE1 3.29Å; P230-Y232 PolarHBondContact O-N 2.91Å; Y232-V235 PolarHBondContact O-N 3.09Å; Y232-L236 HydrophobicContact CD2-CD1 4.11Å; Y232-L236 WeakPolarHBondContact O-CB 3.49Å; Y232-L236 VanDerWaalsContact O-CG 3.25Å; Y232-L236 WeakPolarHBondContact O-CG 3.44Å; Y232-L236 PolarHBondContact O-N 3.35Å
233M90.5Very high75.9Confident66 Ų66113.9 Ų113.933%0.32560%0.603SS.*Hα-helixtrans-69.5-41.9176.6-78-60.2-58.700111.6K229 P230 H231 L236 E237K229-M233 HydrophobicContact CB-CB 4.15Å; P230-M233 HydrophobicContact CG-CB 4.4Å; P230-M233 HydrophobicContact CG-CG 3.97Å; P230-M233 WeakPolarHBondContact O-CB 3.41Å; P230-M233 PolarHBondContact O-N 3.14Å; H231-M233 VanDerWaalsContact C-N 3.31Å; H231-M233 PolarHBondContact O-N 2.81Å; M233-L236 PolarHBondContact O-N 3.12Å; M233-L236 HydrophobicContact SD-CD1 4.41Å; M233-E237 WeakPolarHBondContact O-CB 3.46Å; M233-E237 WeakPolarHBondContact O-CG 3.31Å; M233-E237 PolarHBondContact O-N 3.04Å
234E88.6Confident77.5Confident101 Ų101113.8 Ų113.847%0.47260%0.598SS.*Hα-helixtrans-60-46.4173.2179.6-177.9-150.400110.8H231 L236 E237 M238H231-E234 IonicContact ND1-OE2 2.93Å; H231-E234 PolarHBondContact ND1-OE2 3.08Å; H231-E234 PolarHBondContact O-N 3.32Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 2.91Å; E234-E237 PolarHBondContact O-N 2.82Å; E234-M238 HydrophobicContact CG-SD 4.24Å; E234-M238 WeakPolarHBondContact O-CB 3.47Å; E234-M238 VanDerWaalsContact O-CG 3.28Å; E234-M238 WeakPolarHBondContact O-CG 3.34Å; E234-M238 PolarHBondContact O-N 3.05Å
235V90.1Very high79Confident35 Ų35114 Ų11421%0.21260%0.597CS.*Hα-helixtrans-62.4-36.4176.4169.60000112.4H231 Y232 R239H231-V235 WeakPolarHBondContact O-CG2 3.38Å; H231-V235 PolarHBondContact O-N 2.89Å; Y232-V235 PolarHBondContact O-N 3.09Å; V235-R239 VanDerWaalsContact O-CG 3.31Å; V235-R239 WeakPolarHBondContact O-CG 3.37Å; V235-R239 PolarHBondContact O-N 2.64Å; V235-R239 VanDerWaalsContact O-N 3.08Å
236L88.9Confident80.3Confident96 Ų96119.8 Ų119.850%0.50360%0.604SS.*Hα-helixtrans-69.1-43.7173.7-73.6171.3000111.7Y232 M233 E234 M238 R239 A240Y232-L236 HydrophobicContact CD2-CD1 4.11Å; Y232-L236 WeakPolarHBondContact O-CB 3.49Å; Y232-L236 VanDerWaalsContact O-CG 3.25Å; Y232-L236 WeakPolarHBondContact O-CG 3.44Å; Y232-L236 PolarHBondContact O-N 3.35Å; M233-L236 PolarHBondContact O-N 3.12Å; M233-L236 HydrophobicContact SD-CD1 4.41Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 2.91Å; L236-M238 VanDerWaalsContact C-N 3.33Å; L236-M238 PolarHBondContact O-N 3.06Å; L236-R239 PolarHBondContact O-N 3.41Å; L236-A240 WeakPolarHBondContact O-CB 3.49Å; L236-A240 PolarHBondContact O-N 3Å
237E89.6Confident81.1Confident62 Ų62121.4 Ų121.429%0.2961%0.608SS.*Hα-helixtrans-62.6-38.1175.5-75.4172.6-151.900111.8K229 M233 E234 A240 K241K229-E237 WeakPolarHBondContact CD-OE1 3.28Å; K229-E237 IonicContact NZ-OE1 3.2Å; K229-E237 PolarHBondContact NZ-OE1 3.1Å; K229-E237 IonicContact NZ-OE2 2.8Å; K229-E237 PolarHBondContact NZ-OE2 3.28Å; M233-E237 WeakPolarHBondContact O-CB 3.46Å; M233-E237 WeakPolarHBondContact O-CG 3.31Å; M233-E237 PolarHBondContact O-N 3.04Å; E234-E237 PolarHBondContact O-N 2.82Å; E237-A240 PolarHBondContact O-N 3.1Å; E237-K241 WeakPolarHBondContact O-CB 3.46Å; E237-K241 VanDerWaalsContact O-CG 3.27Å; E237-K241 WeakPolarHBondContact O-CG 3.44Å; E237-K241 PolarHBondContact O-N 2.98Å; E237-K241 VanDerWaalsContact O-N 3.07Å
238M85.4Confident81.6Confident122 Ų122120 Ų12060%0.60160%0.601SS**Hα-helixtrans-65.3-41.7173.4-72.5176.872.700112.5E234 L236 K241 N242E234-M238 HydrophobicContact CG-SD 4.24Å; E234-M238 WeakPolarHBondContact O-CB 3.47Å; E234-M238 VanDerWaalsContact O-CG 3.28Å; E234-M238 WeakPolarHBondContact O-CG 3.34Å; E234-M238 PolarHBondContact O-N 3.05Å; L236-M238 VanDerWaalsContact C-N 3.33Å; L236-M238 PolarHBondContact O-N 3.06Å; M238-K241 PolarHBondContact O-N 3.23Å; M238-N242 PolarHBondContact O-N 3.46Å
239R85.5Confident82.1Confident170 Ų170119.2 Ų119.264%0.64260%0.597SS**Hα-helixtrans-69.2-36.2175.6-71.2177.8-152.2-144.46.1112.5V235 L236 K241 N242V235-R239 VanDerWaalsContact O-CG 3.31Å; V235-R239 WeakPolarHBondContact O-CG 3.37Å; V235-R239 PolarHBondContact O-N 2.64Å; V235-R239 VanDerWaalsContact O-N 3.08Å; L236-R239 PolarHBondContact O-N 3.41Å; R239-K241 VanDerWaalsContact C-N 3.31Å; R239-K241 PolarHBondContact O-N 3.41Å; R239-N242 CarbonylContact O-C 3.53Å; R239-N242 PolarHBondContact O-N 3.47Å; R239-N242 VanDerWaalsContact O-O 3.1Å
240A83.6Confident81.9Confident83 Ų83121.5 Ų121.569%0.68661%0.608SS**Hα-helixtrans-64.9-36.3175.200000111.9L236 E237 N242L236-A240 WeakPolarHBondContact O-CB 3.49Å; L236-A240 PolarHBondContact O-N 3Å; E237-A240 PolarHBondContact O-N 3.1Å; A240-N242 VanDerWaalsContact C-N 3.29Å; A240-N242 PolarHBondContact O-N 2.78Å
241K86.3Confident81.4Confident171 Ų171126.6 Ų126.674%0.74362%0.623SS**Hα-helixtrans-73.8-16.1174.2-72169.9-177.4175.90114E237 M238 R239E237-K241 WeakPolarHBondContact O-CB 3.46Å; E237-K241 VanDerWaalsContact O-CG 3.27Å; E237-K241 WeakPolarHBondContact O-CG 3.44Å; E237-K241 PolarHBondContact O-N 2.98Å; E237-K241 VanDerWaalsContact O-N 3.07Å; M238-K241 PolarHBondContact O-N 3.23Å; R239-K241 VanDerWaalsContact C-N 3.31Å; R239-K241 PolarHBondContact O-N 3.41Å
242N83.3Confident80.7Confident125 Ų125125.2 Ų125.267%0.66862%0.624SS**SBendtrans-137.676-176-150.6-15.8000110M238 R239 A240 V244M238-N242 PolarHBondContact O-N 3.46Å; R239-N242 CarbonylContact O-C 3.53Å; R239-N242 PolarHBondContact O-N 3.47Å; R239-N242 VanDerWaalsContact O-O 3.1Å; A240-N242 VanDerWaalsContact C-N 3.29Å; A240-N242 PolarHBondContact O-N 2.78Å; N242-V244 PolarHBondContact O-N 3.37Å; N242-V244 VanDerWaalsContact O-N 3.13Å
243P78.8Confident79.7Confident103 Ų103124.5 Ų124.567%0.66963%0.631SS**  trans-63.7115.8-172.525.5-34.1000110.6
244V74.6Confident78.7Confident110 Ų110128 Ų12867%0.66766%0.656SS**PPolyproline II helixtrans-58.5128.1175.5-179.70000108.8N242 Q246N242-V244 PolarHBondContact O-N 3.37Å; N242-V244 VanDerWaalsContact O-N 3.13Å; V244-Q246 PolarHBondContact O-N 2.71Å
245P75.8Confident77.5Confident111 Ų111130 Ų13072%0.72167%0.669SS**PPolyproline II helixtrans-53.2128.7175.2-26.134.3000110.1L247P245-L247 PolarHBondContact O-N 2.74Å
246Q71.6Confident75.9Confident192 Ų192134.2 Ų134.290%0.89770%0.697SS**PPolyproline II helixtrans-58.2118.2178.1-68.1-168.59.100108.7V244 H248V244-Q246 PolarHBondContact O-N 2.71Å; Q246-H248 PolarHBondContact O-N 3.09Å; Q246-H248 VanDerWaalsContact O-N 3.16Å
247L69.6Low74.2Confident150 Ų150138.7 Ų138.779%0.78571%0.713SS**PPolyproline II helixtrans-58.7126.3179.1-80.683.6000108.7P245 K249P245-L247 PolarHBondContact O-N 2.74Å; L247-K249 PolarHBondContact O-N 3.22Å; L247-K249 VanDerWaalsContact O-N 3.1Å
248H68.8Low72.2Confident154 Ų154146 Ų14671%0.71374%0.738SS**  trans-45.6119.9170.8158.3-72.6000108.9Q246 F250Q246-H248 PolarHBondContact O-N 3.09Å; Q246-H248 VanDerWaalsContact O-N 3.16Å; H248-F250 PolarHBondContact O-N 2.95Å
249K76.1Confident70.4Confident184 Ų184147.9 Ų147.980%0.875%0.745SS**  trans-53.7111.1-178.6-64.9179-177.8178.30108.9L247 K251L247-K249 PolarHBondContact O-N 3.22Å; L247-K249 VanDerWaalsContact O-N 3.1Å; K249-K251 PolarHBondContact O-N 2.93Å
250F71.2Confident68.7Low164 Ų164146.7 Ų146.772%0.71975%0.751SS**  trans-56.7112.3179.5-178.8-97.6000108.8H248 T252H248-F250 PolarHBondContact O-N 2.95Å; F250-T252 PolarHBondContact O-N 3.04Å
251K73.8Confident67.1Low173 Ų173149.5 Ų149.575%0.75275%0.754SS**  trans-74.895.2172.7-72.7-172.3178.3-178.50107.2K249 N253K249-K251 PolarHBondContact O-N 2.93Å; K251-N253 PolarHBondContact O-N 3.43Å
252T72.9Confident65Low106 Ų106147 Ų14765%0.6576%0.759SS**  trans-55.2126.6171-47.80000108.9F250 V254F250-T252 PolarHBondContact O-N 3.04Å; T252-V254 PolarHBondContact O-N 3.43Å; T252-V254 VanDerWaalsContact O-N 3.1Å
253N68.7Low63.6Low136 Ų136146.9 Ų146.973%0.72777%0.768SS**  trans-60.2116.7177.7-68.9-37.2000109.4K251 L255K251-N253 PolarHBondContact O-N 3.43Å; N253-L255 PolarHBondContact O-N 2.88Å; N253-L255 VanDerWaalsContact O-N 3.11Å
254V69.2Low61.9Low141 Ų141147 Ų14786%0.85577%0.771SS**  trans-71.6104.8170.3-179.90000107.1T252T252-V254 PolarHBondContact O-N 3.43Å; T252-V254 VanDerWaalsContact O-N 3.1Å
255L63.6Low60.8Low143 Ų143148.8 Ų148.875%0.74977%0.772SS**  trans-66.3139.1174.4-66.1-179000109.8N253 F257N253-L255 PolarHBondContact O-N 2.88Å; N253-L255 VanDerWaalsContact O-N 3.11Å; L255-F257 PolarHBondContact O-N 3.31Å
256P57.6Low59.1Low122 Ų122149 Ų14979%0.79277%0.774SS**  trans-56132.1175.2-24.934.2000111.3R258P256-R258 PolarHBondContact O-N 2.84Å
257F53.2Low58Low191 Ų191147.6 Ų147.684%0.83877%0.768SS**  trans-67.4102.6179.4-163.6-90.7000109.4L255 Q259L255-F257 PolarHBondContact O-N 3.31Å; F257-Q259 PolarHBondContact O-N 2.82Å; F257-Q259 VanDerWaalsContact O-N 3.13Å
258R45.7Very low57Low216 Ų216149.9 Ų149.982%0.81577%0.771SS**  trans-68.7109.6179.6-172.2-179.2-177-147.8-0.4109.2P256 N260P256-R258 PolarHBondContact O-N 2.84Å; R258-N260 PolarHBondContact O-N 2.69Å
259Q49.2Very low56.3Low160 Ų160148.5 Ų148.575%0.74878%0.779SS**  trans-62.2134170-72.7175.5-57.600109.6F257 D261F257-Q259 PolarHBondContact O-N 2.82Å; F257-Q259 VanDerWaalsContact O-N 3.13Å; Q259-D261 PolarHBondContact O-N 3.21Å
260N49.6Very low55.5Low146 Ų146142.9 Ų142.978%0.78177%0.774SS**  trans-89.879.6-170-71.8-49.2000111.4R258R258-N260 PolarHBondContact O-N 2.69Å
261D48.8Very low55.4Low141 Ų141140.1 Ų140.175%0.75478%0.775SS**  trans-113.488169.4-69.3-53.5000110.8Q259Q259-D261 PolarHBondContact O-N 3.21Å
262S42.2Very low55.4Low120 Ų120138.2 Ų138.284%0.83978%0.78SS**  trans-179.1130.4136.3-82.90000112.3S264S262-S264 PolarHBondContact O-N 2.88Å
263S55.8Low55.2Low122 Ų122136.1 Ų136.185%0.85376%0.764SS**  trans-56.7120166.6170.80000111.6
264S41.9Very low56Low105 Ų105133.1 Ų133.173%0.73475%0.754SS**  trans-11697.5157.267.60000109.6S262 C266S262-S264 PolarHBondContact O-N 2.88Å; S264-C266 PolarHBondContact O-N 2.94Å; S264-C266 VanDerWaalsContact O-N 3.12Å
265H52.6Low56.6Low147 Ų147130.7 Ų130.768%0.68174%0.743SS**  trans-45.8110.4170.4173.698.1000112.2Q267H265-Q267 VanDerWaalsContact CE1-CG 3.5Å; H265-Q267 WeakPolarHBondContact CE1-CG 3.26Å
266C38.4Very low57.8Low115 Ų115126.8 Ų126.878%0.77772%0.721SS**  trans-134.492.8162-80.40000108.4S264 K268S264-C266 PolarHBondContact O-N 2.94Å; S264-C266 VanDerWaalsContact O-N 3.12Å; C266-K268 VanDerWaalsContact C-N 3.33Å; C266-K268 PolarHBondContact O-N 3.04Å
267Q50.3Low59.3Low163 Ų163124.7 Ų124.776%0.76270%0.7SS**  trans-64.191.2170.7-74.9-79.8-15.100109.4H265H265-Q267 VanDerWaalsContact CE1-CG 3.5Å; H265-Q267 WeakPolarHBondContact CE1-CG 3.26Å
268K47.2Very low60.9Low198 Ų198122 Ų12286%0.86169%0.685SS**  trans-119.794.6164.9-153.5168.2-171.3175.10108.1C266 G270C266-K268 VanDerWaalsContact C-N 3.33Å; C266-K268 PolarHBondContact O-N 3.04Å; K268-G270 PolarHBondContact O-N 3.39Å; K268-G270 VanDerWaalsContact O-N 3.15Å
269S54.6Low62.8Low126 Ų126119.4 Ų119.488%0.88168%0.675SS**  trans-55.8111.6-177.131.50000111.5
270G58.7Low64.5Low66 Ų66118.8 Ų118.868%0.6867%0.666SS**  trans-177.8135.4174.900000109.6K268K268-G270 PolarHBondContact O-N 3.39Å; K268-G270 VanDerWaalsContact O-N 3.15Å
271S69Low66.4Low106 Ų106117.4 Ų117.474%0.74165%0.649SS**  trans-54.4148.7173.2-53.80000110.5I273S271-I273 PolarHBondContact O-N 3.46Å
272P73.8Confident68.1Low132 Ų132114.7 Ų114.786%0.85764%0.635SS**  trans-57.3110.4176.724.1-33.6000109.3S274P272-S274 PolarHBondContact O-N 2.94Å
273I70.1Confident70Confident63 Ų63115.3 Ų115.332%0.32362%0.623SS.*  trans-62.7134179.659.2174.1000109.1S271 E277 R278S271-I273 PolarHBondContact O-N 3.46Å; I273-E277 HydrophobicContact CB-CB 4.42Å; I273-E277 HydrophobicContact CB-CG 4.22Å; I273-E277 HydrophobicContact CG2-CG 4.44Å; I273-R278 HydrophobicContact CD1-CB 3.88Å; I273-R278 HydrophobicContact CD1-CG 4.3Å; I273-R278 HydrophobicContact CG1-CB 4.42Å
274S84.7Confident71.2Confident72 Ų72115 Ų11550%0.50361%0.608SS.*  trans-54148.5173.2177.40000110.1P272 E276 E277 R278P272-S274 PolarHBondContact O-N 2.94Å; S274-E276 PolarHBondContact O-N 3.35Å; S274-E276 PolarHBondContact OG-N 3.13Å; S274-E277 WeakPolarHBondContact O-CB 3.46Å; S274-E277 PolarHBondContact O-N 3.47Å; S274-R278 PolarHBondContact O-N 2.7Å
275S82.8Confident73Confident90 Ų90115.5 Ų115.563%0.62960%0.598SS**Hα-helixtrans-56.3-3317452.70000111.7R279S275-R279 WeakPolarHBondContact O-CG 3.34Å; S275-R279 PolarHBondContact O-N 2.89Å; S275-R279 VanDerWaalsContact O-N 3.15Å
276E87.6Confident74.1Confident62 Ų62113.7 Ų113.729%0.2959%0.593SS.*Hα-helixtrans-67.2-45.7173.4-178.858.2-167.600112.4S274 R278 R279 R280S274-E276 PolarHBondContact O-N 3.35Å; S274-E276 PolarHBondContact OG-N 3.13Å; E276-R278 VanDerWaalsContact C-N 3.29Å; E276-R278 PolarHBondContact O-N 2.74Å; E276-R279 WeakPolarHBondContact O-CB 3.37Å; E276-R279 PolarHBondContact O-N 2.93Å; E276-R279 VanDerWaalsContact O-N 3.1Å; E276-R279 IonicContact OE2-CZ 3.22Å; E276-R279 VanDerWaalsContact OE2-CZ 3.22Å; E276-R279 IonicContact OE2-NE 3.04Å; E276-R279 PolarHBondContact OE2-NE 3.2Å; E276-R279 IonicContact OE2-NH2 2.65Å; E276-R279 PolarHBondContact OE2-NH2 3.42Å; E276-R280 WeakPolarHBondContact O-CG 3.39Å; E276-R280 PolarHBondContact O-N 2.99Å; E276-R280 IonicContact OE1-CZ 2.69Å; E276-R280 IonicContact OE1-NE 3.69Å; E276-R280 PolarHBondContact OE1-NE 2.89Å; E276-R280 IonicContact OE1-NH2 2.73Å; E276-R280 PolarHBondContact OE1-NH2 2.92Å
277E88.6Confident75.7Confident77 Ų77112.2 Ų112.236%0.3658%0.577SS.*Hα-helixtrans-62.2-37.8178.7179.359.5-164.900111.6I273 S274 R280 R281I273-E277 HydrophobicContact CB-CB 4.42Å; I273-E277 HydrophobicContact CB-CG 4.22Å; I273-E277 HydrophobicContact CG2-CG 4.44Å; S274-E277 WeakPolarHBondContact O-CB 3.46Å; S274-E277 PolarHBondContact O-N 3.47Å; E277-R280 PolarHBondContact O-N 3.43Å; E277-R281 WeakPolarHBondContact O-CG 3.23Å; E277-R281 PolarHBondContact O-N 2.86Å; E277-R281 VanDerWaalsContact O-N 3.15Å; E277-R281 IonicContact OE1-CZ 2.75Å; E277-R281 IonicContact OE1-NE 4Å; E277-R281 PolarHBondContact OE1-NE 2.93Å; E277-R281 IonicContact OE1-NH2 2.93Å; E277-R281 PolarHBondContact OE1-NH2 3.22Å
278R87.1Confident77.1Confident136 Ų136110.9 Ų110.951%0.51358%0.576SS.*Hα-helixtrans-59.6-50.4170.9-175.9-179.7-65.4-87.41.9111.3I273 S274 E276 R280 R281 D282I273-R278 HydrophobicContact CD1-CB 3.88Å; I273-R278 HydrophobicContact CD1-CG 4.3Å; I273-R278 HydrophobicContact CG1-CB 4.42Å; S274-R278 PolarHBondContact O-N 2.7Å; E276-R278 VanDerWaalsContact C-N 3.29Å; E276-R278 PolarHBondContact O-N 2.74Å; R278-R280 VanDerWaalsContact C-N 3.25Å; R278-R280 PolarHBondContact O-N 3.32Å; R278-R281 PolarHBondContact O-N 2.81Å; R278-D282 WeakPolarHBondContact CG-OD2 3.4Å; R278-D282 WeakPolarHBondContact O-CB 3.48Å; R278-D282 PolarHBondContact O-N 3.36Å
279R85.9Confident78.5Confident161 Ų161107 Ų10761%0.60856%0.563SS**Hα-helixtrans-57.9-35.9177.5-70.9-168.4-64.5-161.9-2113S275 E276 K283S275-R279 WeakPolarHBondContact O-CG 3.34Å; S275-R279 PolarHBondContact O-N 2.89Å; S275-R279 VanDerWaalsContact O-N 3.15Å; E276-R279 WeakPolarHBondContact O-CB 3.37Å; E276-R279 PolarHBondContact O-N 2.93Å; E276-R279 VanDerWaalsContact O-N 3.1Å; E276-R279 IonicContact OE2-CZ 3.22Å; E276-R279 VanDerWaalsContact OE2-CZ 3.22Å; E276-R279 IonicContact OE2-NE 3.04Å; E276-R279 PolarHBondContact OE2-NE 3.2Å; E276-R279 IonicContact OE2-NH2 2.65Å; E276-R279 PolarHBondContact OE2-NH2 3.42Å; R279-K283 VanDerWaalsContact O-CB 3.32Å; R279-K283 WeakPolarHBondContact O-CB 3.22Å; R279-K283 PolarHBondContact O-N 3.01Å
280R85.6Confident79.7Confident147 Ų147104.2 Ų104.256%0.55554%0.541SS*.Hα-helixtrans-66.1-46.1177.3-65.6-68.7164.1163-0.7111.7E276 E277 R278 K283 Q284E276-R280 WeakPolarHBondContact O-CG 3.39Å; E276-R280 PolarHBondContact O-N 2.99Å; E276-R280 IonicContact OE1-CZ 2.69Å; E276-R280 IonicContact OE1-NE 3.69Å; E276-R280 PolarHBondContact OE1-NE 2.89Å; E276-R280 IonicContact OE1-NH2 2.73Å; E276-R280 PolarHBondContact OE1-NH2 2.92Å; E277-R280 PolarHBondContact O-N 3.43Å; R278-R280 VanDerWaalsContact C-N 3.25Å; R278-R280 PolarHBondContact O-N 3.32Å; R280-K283 PolarHBondContact O-N 3.46Å; R280-Q284 WeakPolarHBondContact O-CG 3.44Å; R280-Q284 PolarHBondContact O-N 3.11Å
281R87.9Confident80.2Confident116 Ų116106.4 Ų106.444%0.43855%0.552SS.*Hα-helixtrans-68.5-41.9177.6-65.2177.3-164.5-178.83.8112.5E277 R278 K283 Q284 H285E277-R281 WeakPolarHBondContact O-CG 3.23Å; E277-R281 PolarHBondContact O-N 2.86Å; E277-R281 VanDerWaalsContact O-N 3.15Å; E277-R281 IonicContact OE1-CZ 2.75Å; E277-R281 IonicContact OE1-NE 4Å; E277-R281 PolarHBondContact OE1-NE 2.93Å; E277-R281 IonicContact OE1-NH2 2.93Å; E277-R281 PolarHBondContact OE1-NH2 3.22Å; R278-R281 PolarHBondContact O-N 2.81Å; R281-K283 PolarHBondContact O-N 3.18Å; R281-Q284 PolarHBondContact O-N 3.02Å; R281-H285 VanDerWaalsContact O-CB 3.26Å; R281-H285 WeakPolarHBondContact O-CB 3.26Å; R281-H285 PolarHBondContact O-N 2.66Å
282D85.3Confident80.5Confident84 Ų84105.2 Ų105.245%0.44955%0.549SS..Hα-helixtrans-61-37.6176.2-65.2-15.9000110.6R278 L286R278-D282 WeakPolarHBondContact CG-OD2 3.4Å; R278-D282 WeakPolarHBondContact O-CB 3.48Å; R278-D282 PolarHBondContact O-N 3.36Å; D282-L286 WeakPolarHBondContact O-CD1 3.37Å; D282-L286 VanDerWaalsContact O-CG 3.32Å; D282-L286 WeakPolarHBondContact O-CG 3.22Å; D282-L286 PolarHBondContact O-N 3.39Å
283K82.4Confident80.5Confident133 Ų133106.6 Ų106.658%0.57854%0.537SS*.Hα-helixtrans-68.7-46.1173.9-174172.5179.2178.10112.8R279 R280 R281 H285 L286 D287R279-K283 VanDerWaalsContact O-CB 3.32Å; R279-K283 WeakPolarHBondContact O-CB 3.22Å; R279-K283 PolarHBondContact O-N 3.01Å; R280-K283 PolarHBondContact O-N 3.46Å; R281-K283 PolarHBondContact O-N 3.18Å; K283-H285 VanDerWaalsContact C-N 3.31Å; K283-H285 PolarHBondContact O-N 3.33Å; K283-L286 WeakPolarHBondContact O-CB 3.4Å; K283-L286 PolarHBondContact O-N 3.18Å; K283-D287 PolarHBondContact O-N 2.97Å
284Q80.6Confident80.9Confident117 Ų117111 Ų11155%0.54756%0.56SS.*Hα-helixtrans-58.5-43.6174.6-74.4169.1-24.400111.6R280 R281 L286 D287 D288R280-Q284 WeakPolarHBondContact O-CG 3.44Å; R280-Q284 PolarHBondContact O-N 3.11Å; R281-Q284 PolarHBondContact O-N 3.02Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-L286 PolarHBondContact O-N 3.1Å; Q284-D287 CarbonylContact O-C 3.49Å; Q284-D287 WeakPolarHBondContact O-CA 3.49Å; Q284-D287 WeakPolarHBondContact O-CB 3.43Å; Q284-D287 PolarHBondContact O-N 2.94Å; Q284-D288 WeakPolarHBondContact O-CB 3.34Å; Q284-D288 VanDerWaalsContact O-CG 3.28Å; Q284-D288 PolarHBondContact O-N 3.22Å
285H80.5Confident80.9Confident115 Ų115114.4 Ų114.453%0.53257%0.572SS.*Hα-helixtrans-64.2-34.4176.6179.6-93.6000112.9R281 K283 I289R281-H285 VanDerWaalsContact O-CB 3.26Å; R281-H285 WeakPolarHBondContact O-CB 3.26Å; R281-H285 PolarHBondContact O-N 2.66Å; K283-H285 VanDerWaalsContact C-N 3.31Å; K283-H285 PolarHBondContact O-N 3.33Å; H285-I289 WeakPolarHBondContact CE1-CD1 3.42Å; H285-I289 WeakPolarHBondContact NE2-CD1 3.36Å; H285-I289 WeakPolarHBondContact O-CB 3.42Å; H285-I289 WeakPolarHBondContact O-CG1 3.43Å; H285-I289 PolarHBondContact O-N 3Å
286L75.2Confident80.9Confident108 Ų108113.9 Ų113.957%0.56557%0.567SS**Hα-helixtrans-65.4-42.6168.8-76.1160.6000111.5D282 K283 Q284 D288 T290D282-L286 WeakPolarHBondContact O-CD1 3.37Å; D282-L286 VanDerWaalsContact O-CG 3.32Å; D282-L286 WeakPolarHBondContact O-CG 3.22Å; D282-L286 PolarHBondContact O-N 3.39Å; K283-L286 WeakPolarHBondContact O-CB 3.4Å; K283-L286 PolarHBondContact O-N 3.18Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-L286 PolarHBondContact O-N 3.1Å; L286-D288 VanDerWaalsContact C-N 3.34Å; L286-T290 WeakPolarHBondContact O-CB 3.29Å; L286-T290 PolarHBondContact O-N 3.45Å; L286-T290 PolarHBondContact O-OG1 3.35Å
287D72.6Confident80.7Confident84 Ų84117.7 Ų117.745%0.44959%0.588SS.*Hα-helixtrans-65.8-34177.5-65-34.9000112.2K283 Q284K283-D287 PolarHBondContact O-N 2.97Å; Q284-D287 CarbonylContact O-C 3.49Å; Q284-D287 WeakPolarHBondContact O-CA 3.49Å; Q284-D287 WeakPolarHBondContact O-CB 3.43Å; Q284-D287 PolarHBondContact O-N 2.94Å
288D78.6Confident80.5Confident136 Ų136122.6 Ų122.673%0.72761%0.611SS**Hα-helixtrans-78.6-40.6179-69.8-27.2000113.4Q284 L286Q284-D288 WeakPolarHBondContact O-CB 3.34Å; Q284-D288 VanDerWaalsContact O-CG 3.28Å; Q284-D288 PolarHBondContact O-N 3.22Å; L286-D288 VanDerWaalsContact C-N 3.34Å
289I77.1Confident80.5Confident117 Ų117122.7 Ų122.760%0.662%0.617SS**Hα-helixtrans-76-27.7178-71.1-173.9000111.8H285 A291H285-I289 WeakPolarHBondContact CE1-CD1 3.42Å; H285-I289 WeakPolarHBondContact NE2-CD1 3.36Å; H285-I289 WeakPolarHBondContact O-CB 3.42Å; H285-I289 WeakPolarHBondContact O-CG1 3.43Å; H285-I289 PolarHBondContact O-N 3Å; I289-A291 VanDerWaalsContact C-N 3.31Å; I289-A291 PolarHBondContact O-N 3.07Å
290T79.9Confident80.5Confident67 Ų67121.5 Ų121.541%0.41162%0.619SS.*  trans-76.982.8-179.5-55.40000110.6L286 A292 R293L286-T290 WeakPolarHBondContact O-CB 3.29Å; L286-T290 PolarHBondContact O-N 3.45Å; L286-T290 PolarHBondContact O-OG1 3.35Å; T290-A292 HydrophobicContact CG2-CB 4.21Å; T290-A292 PolarHBondContact O-N 2.96Å; T290-R293 PolarHBondContact O-N 3.46Å
291A68.5Low80.6Confident111 Ų111119.5 Ų119.592%0.91763%0.626SS**THydrogen-bonded Turntrans-55.1-16.1171.700000113.8I289 R293I289-A291 VanDerWaalsContact C-N 3.31Å; I289-A291 PolarHBondContact O-N 3.07Å; A291-R293 VanDerWaalsContact C-N 3.34Å
292A75.3Confident80.6Confident81 Ų81121 Ų12167%0.66965%0.648SS**THydrogen-bonded Turntrans-90.426.8174.700000114T290 L294T290-A292 HydrophobicContact CG2-CB 4.21Å; T290-A292 PolarHBondContact O-N 2.96Å; A292-L294 PolarHBondContact O-N 2.94Å; A292-L294 VanDerWaalsContact O-N 3.1Å
293R75.3Confident80.8Confident162 Ų162124 Ų12461%0.61166%0.659SS**  trans-64.1111.9173.2-168.7176.774.282.8-6109.9T290 A291T290-R293 PolarHBondContact O-N 3.46Å; A291-R293 VanDerWaalsContact C-N 3.34Å
294L77.4Confident81.3Confident154 Ų154126.2 Ų126.281%0.80668%0.677SS**PPolyproline II helixtrans-58.4141.3175.3-62.3178000110.5A292A292-L294 PolarHBondContact O-N 2.94Å; A292-L294 VanDerWaalsContact O-N 3.1Å
295L83.8Confident82Confident145 Ų145124.7 Ų124.776%0.75967%0.672SS**PPolyproline II helixtrans-58.8142.8172.1-67.9174.5000109.7L297L295-L297 PolarHBondContact O-N 3.47Å
296P82.8Confident82.8Confident79 Ų79121.8 Ų121.851%0.51366%0.664SS.*PPolyproline II helixtrans-53.5126.8173.2-25.235000110.8H298P296-H298 PolarHBondContact O-CD2 3.04Å; P296-H298 PolarHBondContact O-N 3.38Å; P296-H298 VanDerWaalsContact O-N 3.11Å
297L83.5Confident83.8Confident141 Ų141122.8 Ų122.874%0.73867%0.669SS**  trans-68.6110.1176.7-66.5173.6000108.9L295 H299L295-L297 PolarHBondContact O-N 3.47Å; L297-H299 VanDerWaalsContact C-N 3.31Å; L297-H299 PolarHBondContact O-N 3.18Å
298H85Confident85Confident180 Ų180126.4 Ų126.483%0.83368%0.683SS**  trans-71.5-23.6-176.6-71.3-75.4000113.8P296P296-H298 PolarHBondContact O-CD2 3.04Å; P296-H298 PolarHBondContact O-N 3.38Å; P296-H298 VanDerWaalsContact O-N 3.11Å
299H87.6Confident85.8Confident139 Ų139124.7 Ų124.764%0.64467%0.671SS**SBendtrans-104.7145.3178.15872.1000110.8L297L297-H299 VanDerWaalsContact C-N 3.31Å; L297-H299 PolarHBondContact O-N 3.18Å
300M85.8Confident86.8Confident135 Ų135121.7 Ų121.767%0.66566%0.66SS**PPolyproline II helixtrans-61.4156.4169.3-68.4-60.499.700110.7
301P88.3Confident87.6Confident106 Ų106122.5 Ų122.569%0.68866%0.661SS**PPolyproline II helixtrans-57.7153.1169.426.1-35.3000110.8Q303P301-Q303 PolarHBondContact O-N 3.08Å; P301-Q303 VanDerWaalsContact O-N 3.16Å
302T87.7Confident89Confident148 Ų148119.7 Ų119.791%0.90864%0.639SS**PPolyproline II helixtrans-56118.4-178.2440000111.6
303Q89.2Confident90.1Very high146 Ų146119 Ų11968%0.68262%0.623SS**PPolyproline II helixtrans-89.6138174.3-63.9176.9-3.500109.5P301P301-Q303 PolarHBondContact O-N 3.08Å; P301-Q303 VanDerWaalsContact O-N 3.16Å
304L93.6Very high91.1Very high180 Ų180117.3 Ų117.394%0.94262%0.622SS**PPolyproline II helixtrans-81.5127.2168.5-62.1178.5000108
305L93.8Very high92.1Very high85 Ų85117.2 Ų117.245%0.44562%0.615SS.*  trans-116.9145-180-64.4167.3000109.1E309 L313L305-E309 HydrophobicContact CB-CB 4.35Å; L305-E309 HydrophobicContact CD2-CB 4.29Å; L305-L313 HydrophobicContact CD1-CD1 3.61Å; L305-L313 HydrophobicContact CD2-CD1 4.18Å
306S97.2Very high92.8Very high54 Ų54115.2 Ų115.238%0.37860%0.602SS.*  trans-66.5161.2165.6670000110.9E308 E309 S310S306-E308 PolarHBondContact O-N 3.24Å; S306-E309 VanDerWaalsContact CB-OE2 3.26Å; S306-E309 WeakPolarHBondContact CB-OE2 3.46Å; S306-E309 PolarHBondContact N-OE2 3.14Å; S306-E309 PolarHBondContact O-N 2.78Å; S306-E309 WeakPolarHBondContact OG-CB 3.47Å; S306-E309 VanDerWaalsContact OG-CD 3.22Å; S306-E309 VanDerWaalsContact OG-CG 3.23Å; S306-E309 WeakPolarHBondContact OG-CG 3.31Å; S306-E309 PolarHBondContact OG-N 2.72Å; S306-E309 PolarHBondContact OG-OE2 2.92Å; S306-S310 PolarHBondContact O-N 2.69Å
307I97.1Very high93.5Very high129 Ų129117.8 Ų117.866%0.66261%0.607SS**Hα-helixtrans-60.7-39.3178.7-61.1173.9000110.3S310 L311I307-S310 PolarHBondContact O-N 3.17Å; I307-S310 PolarHBondContact O-OG 3Å; I307-L311 HydrophobicContact CG2-CD1 4.3Å; I307-L311 WeakPolarHBondContact O-CG 3.49Å; I307-L311 PolarHBondContact O-N 3.44Å; I307-L311 VanDerWaalsContact O-N 3.1Å
308E96.9Very high94.3Very high160 Ų160117.3 Ų117.375%0.74860%0.599SS**Hα-helixtrans-63-49.3177.5-176.1173.2-174.100112.1S306 S310 L311 A312S306-E308 PolarHBondContact O-N 3.24Å; E308-S310 VanDerWaalsContact C-N 3.28Å; E308-S310 PolarHBondContact O-N 3.25Å; E308-L311 PolarHBondContact O-N 3.47Å; E308-A312 WeakPolarHBondContact O-CB 3.36Å; E308-A312 PolarHBondContact O-N 3.41Å
309E96.9Very high94.9Very high99 Ų99114.7 Ų114.746%0.46359%0.587SS.*Hα-helixtrans-59.7-39.2175.6-70.5163134.500111.6L305 S306 L311 A312 L313L305-E309 HydrophobicContact CB-CB 4.35Å; L305-E309 HydrophobicContact CD2-CB 4.29Å; S306-E309 VanDerWaalsContact CB-OE2 3.26Å; S306-E309 WeakPolarHBondContact CB-OE2 3.46Å; S306-E309 PolarHBondContact N-OE2 3.14Å; S306-E309 PolarHBondContact O-N 2.78Å; S306-E309 WeakPolarHBondContact OG-CB 3.47Å; S306-E309 VanDerWaalsContact OG-CD 3.22Å; S306-E309 VanDerWaalsContact OG-CG 3.23Å; S306-E309 WeakPolarHBondContact OG-CG 3.31Å; S306-E309 PolarHBondContact OG-N 2.72Å; S306-E309 PolarHBondContact OG-OE2 2.92Å; E309-L311 VanDerWaalsContact C-N 3.34Å; E309-L311 PolarHBondContact O-N 3.32Å; E309-A312 PolarHBondContact O-N 3.33Å; E309-L313 WeakPolarHBondContact O-CB 3.36Å; E309-L313 VanDerWaalsContact O-CG 3.29Å; E309-L313 WeakPolarHBondContact O-CG 3.49Å; E309-L313 PolarHBondContact O-N 2.85Å
310S96.6Very high95.4Very high55 Ų55111.8 Ų111.839%0.38558%0.576SS.*Hα-helixtrans-63-39.7178.282.10000112.4S306 I307 E308 Q314S306-S310 PolarHBondContact O-N 2.69Å; I307-S310 PolarHBondContact O-N 3.17Å; I307-S310 PolarHBondContact O-OG 3Å; E308-S310 VanDerWaalsContact C-N 3.28Å; E308-S310 PolarHBondContact O-N 3.25Å; S310-Q314 WeakPolarHBondContact O-CB 3.4Å; S310-Q314 PolarHBondContact O-N 3.06Å
311L98.1Very high96Very high83 Ų83112.8 Ų112.844%0.43557%0.574SS.*Hα-helixtrans-72.7-38.7176.3-69.5172.6000112.2I307 E308 E309 Q314 K315I307-L311 HydrophobicContact CG2-CD1 4.3Å; I307-L311 WeakPolarHBondContact O-CG 3.49Å; I307-L311 PolarHBondContact O-N 3.44Å; I307-L311 VanDerWaalsContact O-N 3.1Å; E308-L311 PolarHBondContact O-N 3.47Å; E309-L311 VanDerWaalsContact C-N 3.34Å; E309-L311 PolarHBondContact O-N 3.32Å; L311-Q314 PolarHBondContact O-N 2.94Å; L311-K315 VanDerWaalsContact O-CG 3.3Å; L311-K315 WeakPolarHBondContact O-CG 3.25Å; L311-K315 PolarHBondContact O-N 2.88Å
312A97.9Very high96.5Very high53 Ų53112.5 Ų112.544%0.43856%0.563SS.*Hα-helixtrans-62.1-46.517500000111.1E308 E309 Q314 K315 Q316E308-A312 WeakPolarHBondContact O-CB 3.36Å; E308-A312 PolarHBondContact O-N 3.41Å; E309-A312 PolarHBondContact O-N 3.33Å; A312-Q314 PolarHBondContact O-N 3.36Å; A312-K315 PolarHBondContact O-N 3.11Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 3.22Å
313L96.8Very high97Very high65 Ų65109.5 Ų109.534%0.3454%0.539SS..Hα-helixtrans-63-41.6176.5-73.8167000112.2L305 E309 K315 Q316 Q317L305-L313 HydrophobicContact CD1-CD1 3.61Å; L305-L313 HydrophobicContact CD2-CD1 4.18Å; E309-L313 WeakPolarHBondContact O-CB 3.36Å; E309-L313 VanDerWaalsContact O-CG 3.29Å; E309-L313 WeakPolarHBondContact O-CG 3.49Å; E309-L313 PolarHBondContact O-N 2.85Å; L313-K315 PolarHBondContact O-N 3.27Å; L313-Q316 PolarHBondContact O-N 3.49Å; L313-Q317 WeakPolarHBondContact O-CB 3.36Å; L313-Q317 VanDerWaalsContact O-CG 3.28Å; L313-Q317 WeakPolarHBondContact O-CG 3.15Å; L313-Q317 PolarHBondContact O-N 2.72Å
314Q97.8Very high97.4Very high128 Ų128108.9 Ų108.960%0.59854%0.538SS*.Hα-helixtrans-62.7-42.2176.3-169.4-177.323.300111.9S310 L311 A312 K318S310-Q314 WeakPolarHBondContact O-CB 3.4Å; S310-Q314 PolarHBondContact O-N 3.06Å; L311-Q314 PolarHBondContact O-N 2.94Å; A312-Q314 PolarHBondContact O-N 3.36Å; Q314-K318 WeakPolarHBondContact O-CB 3.27Å; Q314-K318 PolarHBondContact O-N 2.67Å
315K98.3Very high97.6Very high152 Ų152105.8 Ų105.866%0.66152%0.519SS*.Hα-helixtrans-62-45.7174.6-72.3169.7-177.6176.60111.4L311 A312 L313 K318 Q319L311-K315 VanDerWaalsContact O-CG 3.3Å; L311-K315 WeakPolarHBondContact O-CG 3.25Å; L311-K315 PolarHBondContact O-N 2.88Å; A312-K315 PolarHBondContact O-N 3.11Å; L313-K315 PolarHBondContact O-N 3.27Å; K315-K318 PolarHBondContact O-N 3.37Å; K315-Q319 WeakPolarHBondContact O-CB 3.47Å; K315-Q319 PolarHBondContact O-N 3.18Å
316Q98.3Very high97.8Very high102 Ų102104.4 Ų104.448%0.47752%0.52SS..Hα-helixtrans-63.9-43178.5-171.2-176.612.900112.2A312 L313 K318 Q319 N320A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 3.22Å; L313-Q316 PolarHBondContact O-N 3.49Å; Q316-K318 PolarHBondContact O-N 3.23Å; Q316-Q319 PolarHBondContact O-N 2.94Å; Q316-N320 WeakPolarHBondContact O-CB 3.49Å; Q316-N320 PolarHBondContact O-N 2.72Å; Q316-N320 PolarHBondContact O-OD1 3.21Å
317Q98.1Very high97.8Very high133 Ų133108.1 Ų108.162%0.62153%0.529SS*.Hα-helixtrans-61.1-43.5175.5-75.3175.14.300111.8L313 N320 Y321L313-Q317 WeakPolarHBondContact O-CB 3.36Å; L313-Q317 VanDerWaalsContact O-CG 3.28Å; L313-Q317 WeakPolarHBondContact O-CG 3.15Å; L313-Q317 PolarHBondContact O-N 2.72Å; Q317-N320 PolarHBondContact O-N 2.95Å; Q317-Y321 WeakPolarHBondContact O-CB 3.47Å; Q317-Y321 PolarHBondContact O-N 3.2Å
318K98.4Very high97.9Very high131 Ų131106.3 Ų106.357%0.5752%0.52SS*.Hα-helixtrans-59.9-49.5174.4178.2-179.5172-177.20111.3Q314 K315 Q316 N320 Y321 E322Q314-K318 WeakPolarHBondContact O-CB 3.27Å; Q314-K318 PolarHBondContact O-N 2.67Å; K315-K318 PolarHBondContact O-N 3.37Å; Q316-K318 PolarHBondContact O-N 3.23Å; K318-N320 PolarHBondContact O-N 3.35Å; K318-Y321 PolarHBondContact O-N 2.86Å; K318-E322 WeakPolarHBondContact CE-OE1 3.44Å; K318-E322 IonicContact NZ-OE1 2.59Å; K318-E322 WeakPolarHBondContact O-CG 3.28Å; K318-E322 PolarHBondContact O-N 2.93Å
319Q98.3Very high97.9Very high125 Ų125100.8 Ų100.858%0.58450%0.502SS*.Hα-helixtrans-58.5-46.2178.6-177.7178.3-5.500111.7K315 Q316 Y321 E322 E323K315-Q319 WeakPolarHBondContact O-CB 3.47Å; K315-Q319 PolarHBondContact O-N 3.18Å; Q316-Q319 PolarHBondContact O-N 2.94Å; Q319-Y321 VanDerWaalsContact C-N 3.32Å; Q319-Y321 PolarHBondContact O-N 3.11Å; Q319-E322 PolarHBondContact O-N 2.97Å; Q319-E323 WeakPolarHBondContact O-CB 3.33Å; Q319-E323 PolarHBondContact O-N 3.21Å
320N98.3Very high97.8Very high78 Ų7898.8 Ų98.842%0.41750%0.503SS..Hα-helixtrans-62.9-36.8177.8-70.2-8.2000112.4Q316 Q317 K318 M324Q316-N320 WeakPolarHBondContact O-CB 3.49Å; Q316-N320 PolarHBondContact O-N 2.72Å; Q316-N320 PolarHBondContact O-OD1 3.21Å; Q317-N320 PolarHBondContact O-N 2.95Å; K318-N320 PolarHBondContact O-N 3.35Å; N320-M324 VanDerWaalsContact O-CB 3.31Å; N320-M324 WeakPolarHBondContact O-CB 3.42Å; N320-M324 PolarHBondContact O-N 3.41Å
321Y98.6Very high97.8Very high156 Ų156101.7 Ų101.761%0.61251%0.51SS*.Hα-helixtrans-66.9-47.4175.6179.1-91.8000111.6Q317 K318 Q319 E323 M324 Q325Q317-Y321 WeakPolarHBondContact O-CB 3.47Å; Q317-Y321 PolarHBondContact O-N 3.2Å; K318-Y321 PolarHBondContact O-N 2.86Å; Q319-Y321 VanDerWaalsContact C-N 3.32Å; Q319-Y321 PolarHBondContact O-N 3.11Å; Y321-E323 VanDerWaalsContact C-N 3.34Å; Y321-E323 PolarHBondContact O-N 2.95Å; Y321-M324 PolarHBondContact O-N 2.75Å; Y321-Q325 WeakPolarHBondContact O-CB 3.33Å; Y321-Q325 PolarHBondContact O-N 3.07Å
322E98.3Very high97.6Very high100 Ų100103.6 Ų103.647%0.46752%0.515SS..Hα-helixtrans-62.2-40.5176.8-71.1174.616900111.4K318 Q319 Q325 A326K318-E322 WeakPolarHBondContact CE-OE1 3.44Å; K318-E322 IonicContact NZ-OE1 2.59Å; K318-E322 WeakPolarHBondContact O-CG 3.28Å; K318-E322 PolarHBondContact O-N 2.93Å; Q319-E322 PolarHBondContact O-N 2.97Å; E322-Q325 PolarHBondContact O-N 3.45Å; E322-A326 VanDerWaalsContact O-CB 3.29Å; E322-A326 WeakPolarHBondContact O-CB 3.37Å; E322-A326 PolarHBondContact O-N 2.7Å
323E98.2Very high97.4Very high85 Ų85106 Ų10640%0.39752%0.52SS..Hα-helixtrans-64.3-44174.5-171.1-171.4158.100112.1Q319 Y321 A326 K327Q319-E323 WeakPolarHBondContact O-CB 3.33Å; Q319-E323 PolarHBondContact O-N 3.21Å; Y321-E323 VanDerWaalsContact C-N 3.34Å; Y321-E323 PolarHBondContact O-N 2.95Å; E323-A326 PolarHBondContact O-N 3.36Å; E323-K327 HydrophobicContact CG-CD 4.42Å; E323-K327 WeakPolarHBondContact O-CB 3.44Å; E323-K327 WeakPolarHBondContact O-CG 3.47Å; E323-K327 PolarHBondContact O-N 3.27Å; E323-K327 WeakPolarHBondContact OE1-CE 3.44Å; E323-K327 IonicContact OE1-NZ 3.74Å; E323-K327 PolarHBondContact OE1-NZ 2.87Å
324M98.2Very high97Very high134 Ų134105.2 Ų105.266%0.6652%0.523SS*.Hα-helixtrans-63.4-42.3176.5-172.7-168.6-67.200111.4N320 Y321 K327 L328N320-M324 VanDerWaalsContact O-CB 3.31Å; N320-M324 WeakPolarHBondContact O-CB 3.42Å; N320-M324 PolarHBondContact O-N 3.41Å; Y321-M324 PolarHBondContact O-N 2.75Å; M324-K327 PolarHBondContact O-N 2.99Å; M324-L328 WeakPolarHBondContact O-CB 3.42Å; M324-L328 PolarHBondContact O-N 3.22Å
325Q98Very high96.5Very high114 Ų114104.4 Ų104.453%0.53352%0.519SS..Hα-helixtrans-63-43.2175.1-175.1177.5-0.200111.3Y321 E322 L328 A329Y321-Q325 WeakPolarHBondContact O-CB 3.33Å; Y321-Q325 PolarHBondContact O-N 3.07Å; E322-Q325 PolarHBondContact O-N 3.45Å; Q325-L328 PolarHBondContact O-N 3.24Å; Q325-A329 WeakPolarHBondContact O-CB 3.28Å; Q325-A329 PolarHBondContact O-N 2.99Å
326A97.9Very high95.9Very high57 Ų57106.4 Ų106.447%0.47152%0.522SS..Hα-helixtrans-64.3-43176.200000112.1E322 E323 A329 A330E322-A326 VanDerWaalsContact O-CB 3.29Å; E322-A326 WeakPolarHBondContact O-CB 3.37Å; E322-A326 PolarHBondContact O-N 2.7Å; E323-A326 PolarHBondContact O-N 3.36Å; A326-A329 PolarHBondContact O-N 3.29Å; A326-A330 VanDerWaalsContact O-CB 3.29Å; A326-A330 WeakPolarHBondContact O-CB 3.34Å; A326-A330 PolarHBondContact O-N 3.06Å
327K97.9Very high94.9Very high131 Ų131107.9 Ų107.957%0.5753%0.533SS*.Hα-helixtrans-59.9-45.9174.4-76.9174.2-177.6170.10111.9E323 M324 A330 Q331E323-K327 HydrophobicContact CG-CD 4.42Å; E323-K327 WeakPolarHBondContact O-CB 3.44Å; E323-K327 WeakPolarHBondContact O-CG 3.47Å; E323-K327 PolarHBondContact O-N 3.27Å; E323-K327 WeakPolarHBondContact OE1-CE 3.44Å; E323-K327 IonicContact OE1-NZ 3.74Å; E323-K327 PolarHBondContact OE1-NZ 2.87Å; M324-K327 PolarHBondContact O-N 2.99Å; K327-A330 PolarHBondContact O-N 2.98Å; K327-Q331 WeakPolarHBondContact O-CB 3.38Å; K327-Q331 PolarHBondContact O-N 3.3Å
328L98Very high93.3Very high91 Ų91107.8 Ų107.848%0.47654%0.536SS..Hα-helixtrans-68.1-35178.3-177.8142.4000112.3M324 Q325 K332M324-L328 WeakPolarHBondContact O-CB 3.42Å; M324-L328 PolarHBondContact O-N 3.22Å; Q325-L328 PolarHBondContact O-N 3.24Å; L328-K332 HydrophobicContact CD2-CD 3.98Å; L328-K332 WeakPolarHBondContact O-CG 3.39Å; L328-K332 PolarHBondContact O-N 3.47Å; L328-K332 VanDerWaalsContact O-N 3.09Å
329A96.8Very high91.7Very high45 Ų45107.9 Ų107.937%0.37254%0.542SS..Hα-helixtrans-66.4-45.8171.700000111.6Q325 A326 K332 L333Q325-A329 WeakPolarHBondContact O-CB 3.28Å; Q325-A329 PolarHBondContact O-N 2.99Å; A326-A329 PolarHBondContact O-N 3.29Å; A329-K332 PolarHBondContact O-N 2.9Å; A329-L333 WeakPolarHBondContact O-CG 3.37Å; A329-L333 PolarHBondContact O-N 3.2Å
330A95.9Very high90.3Very high57 Ų57111.6 Ų111.647%0.47156%0.556SS.*Hα-helixtrans-62.2-41.7176.900000112A326 K327 L333 A334A326-A330 VanDerWaalsContact O-CB 3.29Å; A326-A330 WeakPolarHBondContact O-CB 3.34Å; A326-A330 PolarHBondContact O-N 3.06Å; K327-A330 PolarHBondContact O-N 2.98Å; A330-L333 PolarHBondContact O-N 3.16Å; A330-A334 WeakPolarHBondContact O-CB 3.43Å; A330-A334 PolarHBondContact O-N 3.41Å
331Q95.8Very high88.6Confident115 Ų115116.4 Ų116.454%0.53758%0.578SS.*Hα-helixtrans-59.5-50.1173-178.7-175.5-19.800111.1K327 L333 A334 E335K327-Q331 WeakPolarHBondContact O-CB 3.38Å; K327-Q331 PolarHBondContact O-N 3.3Å; Q331-L333 VanDerWaalsContact C-N 3.27Å; Q331-L333 PolarHBondContact O-N 3.28Å; Q331-A334 PolarHBondContact O-N 3.11Å; Q331-A334 VanDerWaalsContact O-N 3.13Å; Q331-E335 HydrophobicContact CG-CG 4.44Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.26Å; Q331-E335 PolarHBondContact NE2-OE1 3.11Å; Q331-E335 WeakPolarHBondContact O-CB 3.31Å; Q331-E335 WeakPolarHBondContact O-CG 3.42Å; Q331-E335 PolarHBondContact O-N 3.17Å
332K94.9Very high87.3Confident123 Ų123119.9 Ų119.954%0.53559%0.59SS.*Hα-helixtrans-62.2-33.3177.7-75.2177177-178.40113.2L328 A329 R336L328-K332 HydrophobicContact CD2-CD 3.98Å; L328-K332 WeakPolarHBondContact O-CG 3.39Å; L328-K332 PolarHBondContact O-N 3.47Å; L328-K332 VanDerWaalsContact O-N 3.09Å; A329-K332 PolarHBondContact O-N 2.9Å; K332-R336 WeakPolarHBondContact O-CB 3.49Å; K332-R336 WeakPolarHBondContact O-CG 3.25Å; K332-R336 PolarHBondContact O-N 2.89Å
333L92Very high86Confident105 Ų105119.5 Ų119.555%0.5560%0.599SS.*Hα-helixtrans-70.7-43.4172.7-71.8175000111A329 A330 Q331 R336 L337A329-L333 WeakPolarHBondContact O-CG 3.37Å; A329-L333 PolarHBondContact O-N 3.2Å; A330-L333 PolarHBondContact O-N 3.16Å; Q331-L333 VanDerWaalsContact C-N 3.27Å; Q331-L333 PolarHBondContact O-N 3.28Å; L333-R336 CarbonylContact O-C 3.21Å; L333-R336 PolarHBondContact O-N 3.45Å; L333-R336 VanDerWaalsContact O-N 3.15Å; L333-L337 WeakPolarHBondContact O-CB 3.31Å; L333-L337 VanDerWaalsContact O-CG 3.24Å; L333-L337 WeakPolarHBondContact O-CG 3.15Å; L333-L337 PolarHBondContact O-N 2.93Å
334A89Confident84.5Confident48 Ų48125 Ų12540%0.39762%0.617SS.*Hα-helixtrans-62.5-44.1175.800000112.2A330 Q331 R336 L337 N338A330-A334 WeakPolarHBondContact O-CB 3.43Å; A330-A334 PolarHBondContact O-N 3.41Å; Q331-A334 PolarHBondContact O-N 3.11Å; Q331-A334 VanDerWaalsContact O-N 3.13Å; A334-R336 PolarHBondContact O-N 3.01Å; A334-L337 CarbonylContact O-C 3.54Å; A334-L337 PolarHBondContact O-N 3.41Å; A334-L337 VanDerWaalsContact O-N 3.1Å; A334-N338 WeakPolarHBondContact O-CB 3.44Å; A334-N338 VanDerWaalsContact O-CG 3.25Å; A334-N338 PolarHBondContact O-N 3.14Å; A334-N338 PolarHBondContact O-OD1 3.17Å
335E87.8Confident83.1Confident110 Ų110124.4 Ų124.451%0.51462%0.616SS.*Hα-helixtrans-57.4-35.9172.7-73.8169.6-173.400112.2Q331Q331-E335 HydrophobicContact CG-CG 4.44Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.26Å; Q331-E335 PolarHBondContact NE2-OE1 3.11Å; Q331-E335 WeakPolarHBondContact O-CB 3.31Å; Q331-E335 WeakPolarHBondContact O-CG 3.42Å; Q331-E335 PolarHBondContact O-N 3.17Å
336R86.1Confident81.7Confident194 Ų194123.6 Ų123.673%0.73262%0.621SS**Hα-helixtrans-79.6-29.8174.3-78.2-179.9156.8170.4-5.6114K332 L333 A334 I339K332-R336 WeakPolarHBondContact O-CB 3.49Å; K332-R336 WeakPolarHBondContact O-CG 3.25Å; K332-R336 PolarHBondContact O-N 2.89Å; L333-R336 CarbonylContact O-C 3.21Å; L333-R336 PolarHBondContact O-N 3.45Å; L333-R336 VanDerWaalsContact O-N 3.15Å; A334-R336 PolarHBondContact O-N 3.01Å; R336-I339 WeakPolarHBondContact O-CD1 3.23Å; R336-I339 VanDerWaalsContact O-CG1 3.26Å; R336-I339 WeakPolarHBondContact O-CG1 3.39Å
337L75.9Confident80Confident134 Ų134130.1 Ų130.170%0.70264%0.642SS**Hα-helixtrans-83.5-13.1177.2-70.6172.2000112.5L333 A334 I339L333-L337 WeakPolarHBondContact O-CB 3.31Å; L333-L337 VanDerWaalsContact O-CG 3.24Å; L333-L337 WeakPolarHBondContact O-CG 3.15Å; L333-L337 PolarHBondContact O-N 2.93Å; A334-L337 CarbonylContact O-C 3.54Å; A334-L337 PolarHBondContact O-N 3.41Å; A334-L337 VanDerWaalsContact O-N 3.1Å; L337-I339 PolarHBondContact O-N 3.34Å
338N66Low78.4Confident130 Ų130126.4 Ų126.470%0.69564%0.64SS**  trans-65.714.9165.3-77.2-1.6000113.6A334 K340A334-N338 WeakPolarHBondContact O-CB 3.44Å; A334-N338 VanDerWaalsContact O-CG 3.25Å; A334-N338 PolarHBondContact O-N 3.14Å; A334-N338 PolarHBondContact O-OD1 3.17Å; N338-K340 VanDerWaalsContact C-N 3.35Å; N338-K340 PolarHBondContact O-N 3.32Å
339I63.3Low76.3Confident133 Ų133130.9 Ų130.968%0.68266%0.659SS**  trans-56.1102.7153.4-66.1160.2000106.9R336 L337 M341R336-I339 WeakPolarHBondContact O-CD1 3.23Å; R336-I339 VanDerWaalsContact O-CG1 3.26Å; R336-I339 WeakPolarHBondContact O-CG1 3.39Å; L337-I339 PolarHBondContact O-N 3.34Å; I339-M341 VanDerWaalsContact C-N 3.29Å; I339-M341 PolarHBondContact O-N 3.33Å
340K68.6Low74.7Confident204 Ų204134.1 Ų134.189%0.88768%0.679SS**  trans-61.295.6168.3-69-177.7179.4-178.70107.8N338 R342N338-K340 VanDerWaalsContact C-N 3.35Å; N338-K340 PolarHBondContact O-N 3.32Å; K340-R342 VanDerWaalsContact C-N 3.25Å; K340-R342 PolarHBondContact O-N 3.03Å
341M64.4Low73Confident179 Ų179137.4 Ų137.488%0.88270%0.699SS**  trans-66.591.1173.6-167.6158.265.100107.4I339 S343I339-M341 VanDerWaalsContact C-N 3.29Å; I339-M341 PolarHBondContact O-N 3.33Å; M341-S343 PolarHBondContact O-N 3.1Å
342R70.7Confident71Confident229 Ų229134.9 Ų134.986%0.86470%0.703SS**  trans-56129.4176.5-165.3174.7-171.6172.60.7106.7K340 Y344K340-R342 VanDerWaalsContact C-N 3.25Å; K340-R342 PolarHBondContact O-N 3.03Å; R342-Y344 PolarHBondContact O-N 3.24Å
343S69.8Low69.2Low92 Ų92141.1 Ų141.164%0.64372%0.724SS**  trans-53.6107.7-179.550.90000109.3M341 N345M341-S343 PolarHBondContact O-N 3.1Å; S343-N345 PolarHBondContact O-N 3.36Å; S343-N345 VanDerWaalsContact O-N 3.08Å
344Y68.2Low67.2Low201 Ų201146.8 Ų146.879%0.78874%0.739SS**  trans-76.198.8177.3179.5-106.4000107.3R342 P346R342-Y344 PolarHBondContact O-N 3.24Å; Y344-P346 HydrophobicContact CD1-CB 4.42Å; Y344-P346 HydrophobicContact CE1-CB 3.81Å; Y344-P346 WeakPolarHBondContact O-CD 3.45Å
345N67.6Low65.8Low120 Ų120155.9 Ų155.964%0.64276%0.763SS**  trans-89.2101.6171.3-68.5-13.5000107.1S343 E347S343-N345 PolarHBondContact O-N 3.36Å; S343-N345 VanDerWaalsContact O-N 3.08Å; N345-E347 PolarHBondContact O-N 3.2Å
346P68.6Low64.5Low98 Ų98157.4 Ų157.464%0.63677%0.77SS**THydrogen-bonded Turntrans-67.7-14.4-177.927.5-35.8000113.7Y344Y344-P346 HydrophobicContact CD1-CB 4.42Å; Y344-P346 HydrophobicContact CE1-CB 3.81Å; Y344-P346 WeakPolarHBondContact O-CD 3.45Å
347E63.8Low63.3Low194 Ų194153.1 Ų153.191%0.90777%0.766SS**THydrogen-bonded Turntrans-102.39.4-174-58-147.6141.800114.5N345N345-E347 PolarHBondContact O-N 3.2Å
348G63.3Low62.5Low52 Ų52155.5 Ų155.554%0.53677%0.765SS.*SBendtrans-96.4112.9179.700000113.5
349E54.4Low62.3Low185 Ų185156.1 Ų156.186%0.86477%0.768SS**SBendtrans78.377.3157.4-60.5166.3-147.300117.9
350S62.6Low62.3Low113 Ų113158.3 Ų158.379%0.7978%0.776SS**  trans34.895.913061.50000119.1
351S59.5Low61.7Low127 Ų127155.2 Ų155.289%0.88877%0.769SS**  171.2114.2122.945.50000111.2
352G53.8Low61.3Low62 Ų62153.5 Ų153.564%0.63976%0.763SS**  trans-179.761.6-177.600000111.4Y354G352-Y354 VanDerWaalsContact C-N 3.35Å; G352-Y354 PolarHBondContact O-N 3.07Å
353R58.3Low60.4Low254 Ų254149.1 Ų149.196%0.95876%0.757SS**  trans-52.295.8174.1-81.1172.7160.1176.2-8.9109.9
354Y49.8Very low59.3Low224 Ų224157.4 Ų157.488%0.87877%0.774SS**  trans-65.5140.6157.3-88.4-94.9000107.8G352 E356G352-Y354 VanDerWaalsContact C-N 3.35Å; G352-Y354 PolarHBondContact O-N 3.07Å; Y354-E356 PolarHBondContact O-N 3.21Å
355R60.1Low58.7Low238 Ų238152.4 Ų152.490%0.89877%0.769SS**  trans-65.296.5-170.9-65.3172.9173.5-124.12.9110.9V357R355-V357 PolarHBondContact O-N 2.83Å
356E59.7Low58Low142 Ų142151.8 Ų151.866%0.66477%0.774SS**  trans-74.198.6149.5-84.4-167.8116.200107.6Y354 R358Y354-E356 PolarHBondContact O-N 3.21Å; E356-R358 IonicContact OE1-CZ 3.64Å; E356-R358 VanDerWaalsContact OE1-CZ 3.26Å; E356-R358 IonicContact OE1-NE 3.13Å; E356-R358 PolarHBondContact OE1-NE 2.8Å; E356-R358 IonicContact OE1-NH2 2.62Å; E356-R358 PolarHBondContact OE1-NH2 2.88Å
357V60.1Low57.3Low105 Ų105154.3 Ų154.364%0.63678%0.782SS**  trans-79.4109.7152179.30000104.7R355R355-V357 PolarHBondContact O-N 2.83Å
358R59.7Low56.9Low184 Ų184153 Ų15369%0.69478%0.776SS**  trans-98.2112.4166-72.7-74.2172.3-177-2.5105.9E356 E360E356-R358 IonicContact OE1-CZ 3.64Å; E356-R358 VanDerWaalsContact OE1-CZ 3.26Å; E356-R358 IonicContact OE1-NE 3.13Å; E356-R358 PolarHBondContact OE1-NE 2.8Å; E356-R358 IonicContact OE1-NH2 2.62Å; E356-R358 PolarHBondContact OE1-NH2 2.88Å; R358-E360 PolarHBondContact O-N 3.44Å
359D62.7Low55.8Low142 Ų142163.6 Ų163.676%0.75981%0.808SS**  trans-76108.6166.6-55-50.6000106.1
360E62.7Low55.8Low180 Ų180162.6 Ų162.684%0.84181%0.805SS**  trans-105.193.9172.6-74.1-177.2177.500107.9R358R358-E360 PolarHBondContact O-N 3.44Å
361D55.3Low55.5Low138 Ų138165.2 Ų165.274%0.73881%0.806SS**  trans-78167159.4-71.2-52000110.1
362D56Low55.2Low143 Ų143167.3 Ų167.377%0.76580%0.801SS**  trans89.3110.5163.2-55.1-24.1000120.2
363D53.5Low55.3Low137 Ų137173.5 Ų173.573%0.73381%0.811SS**  trans74.388132.5-62.4-15.7000122
364W46Very low55.1Low266 Ų266168.4 Ų168.4100%1.00880%0.802SS**  trans-104.297.3140.9-7492.1000110.4
365S56.2Low55.5Low97 Ų97164.7 Ų164.768%0.67880%0.797SS**  trans-91.9127.2176.5-178.90000111.3
366S52.8Low55.2Low106 Ų106159.5 Ų159.574%0.74179%0.789SS**  trans61.3157.9164.7-56.10000117.2
367D52.9Low54.8Low152 Ų152160.8 Ų160.881%0.81380%0.799SS**  cis-151.817712.7-142.3-17.8000113.1
368E55.1Low54.4Low166 Ų166165.5 Ų165.578%0.77681%0.813SS**  trans-62.2143.9-175.5-177.7171.2-160.700117.4
369F39.7Very low53.9Low275 Ų275163.8 Ų163.8100%1.20682%0.823SS**  trans-168.50135.3-114.2-69.8000113.7

Retrieved 369 of 369 residues in 234.4 ms (Link to these results)