A0A087YEM7_POEFO Loading...

Caspase recruitment domain family, member 14

AlphaFold DB , UniProt , Accession A0A087YEM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 947 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
1M35Very low41.4Very low243 Ų243132.1 Ų132.1100%1.19775%0.747SS**  01420-75.2178.6169.500107.1
2A31.4Very low43.2Very low98 Ų98123.3 Ų123.381%0.8170%0.696SS**  trans31.297.8171.500000116.6E4A2-E4 PolarHBondContact O-N 3.5Å
3E40.7Very low44.6Very low194 Ų194123.5 Ų123.591%0.90769%0.685SS**  trans-68.1107.8158-67.6160.5112.100108.6S5E3-S5 PolarHBondContact O-N 3.32Å
4E30.5Very low46Very low181 Ų181124.1 Ų124.185%0.84668%0.68SS**  trans-82.994.8153.7-77.7-166.9135.100107.4A2 V6A2-E4 PolarHBondContact O-N 3.5Å; E4-V6 VanDerWaalsContact C-N 3.29Å; E4-V6 PolarHBondContact O-N 3.07Å
5S37.8Very low47.9Very low108 Ų108117.5 Ų117.576%0.75564%0.643SS**  trans-68.685.2175.2540000110E3E3-S5 PolarHBondContact O-N 3.32Å
6V34.5Very low49.8Very low127 Ų127112.4 Ų112.477%0.7762%0.619SS**  trans-54.7121.9165.3-179.60000107.2E4 E8E4-V6 VanDerWaalsContact C-N 3.29Å; E4-V6 PolarHBondContact O-N 3.07Å; V6-E8 PolarHBondContact O-N 3.17Å
7P40Very low51.7Low113 Ų113110.3 Ų110.373%0.73460%0.604SS**  trans-65.5133.8-172.425.1-34000110.7G9P7-G9 VanDerWaalsContact C-N 3.25Å; P7-G9 PolarHBondContact O-N 3.07Å
8E45.9Very low53.3Low197 Ų197111.4 Ų111.492%0.92160%0.604SS**  trans-67.687.9166.8-69-166.1126.100109V6V6-E8 PolarHBondContact O-N 3.17Å
9G46.3Very low54.9Low34 Ų34110.8 Ų110.835%0.35160%0.597SS.*PPolyproline II helixtrans-58.2146173.600000110.7P7 R107P7-G9 VanDerWaalsContact C-N 3.25Å; P7-G9 PolarHBondContact O-N 3.07Å; G9-R107 PolarHBondContact O-NH1 3.39Å; G9-R107 PolarHBondContact O-NH2 3.28Å
10P53.2Low56.4Low74 Ų74105.3 Ų105.348%0.48157%0.567SS.*PPolyproline II helixtrans-50.8150.2-171.321.7-34.6000112E14 L15 R107P10-E14 HydrophobicContact CB-CB 4.38Å; P10-L15 HydrophobicContact CG-CD2 3.95Å; P10-R107 PolarHBondContact O-NH1 2.88Å; P10-R107 PolarHBondContact O-NH2 3.45Å
11N60.5Low57.9Low84 Ų84100.8 Ų100.845%0.44954%0.542SS..PPolyproline II helixtrans-54.7146.2-172.7-159.2-39.3000110.5K13 E14 L15N11-K13 PolarHBondContact O-N 2.73Å; N11-K13 PolarHBondContact OD1-N 3.47Å; N11-E14 HydrophobicContact CB-CB 4.15Å; N11-E14 HydrophobicContact CB-CG 3.82Å; N11-E14 VanDerWaalsContact CB-OE1 3.27Å; N11-E14 WeakPolarHBondContact CB-OE1 3.37Å; N11-E14 VanDerWaalsContact CB-OE2 3.31Å; N11-E14 WeakPolarHBondContact CB-OE2 3.36Å; N11-E14 PolarHBondContact N-OE2 3.31Å; N11-E14 WeakPolarHBondContact O-CB 3.3Å; N11-E14 PolarHBondContact O-N 2.89Å; N11-L15 PolarHBondContact O-N 3.08Å
12L62.2Low60.4Low26 Ų2695.6 Ų95.614%0.13652%0.515CS..THydrogen-bonded Turntrans-61-13.5176-69.8178.5000112.4L15 L20 Y101 T105L12-L15 HydrophobicContact CD2-CD1 3.99Å; L12-L20 HydrophobicContact CD2-CD2 4.49Å; L12-Y101 HydrophobicContact CD1-CE2 4.29Å; L12-Y101 VanDerWaalsContact CD1-OH 3.27Å; L12-Y101 WeakPolarHBondContact CD1-OH 3.4Å; L12-T105 HydrophobicContact CD1-CG2 4.48Å
13K61.7Low63Low127 Ų12793.3 Ų93.355%0.55249%0.489SS*.THydrogen-bonded Turntrans-92.8-9173.6-63.7-176.7177.6-179.70114N11 R83 E91N11-K13 PolarHBondContact O-N 2.73Å; N11-K13 PolarHBondContact OD1-N 3.47Å; K13-R83 PolarHBondContact O-NH2 3.19Å; K13-E91 IonicContact NZ-OE1 3.49Å; K13-E91 PolarHBondContact NZ-OE1 2.78Å
14E64.9Low65.3Low131 Ų13184.1 Ų84.161%0.61245%0.446SS*.THydrogen-bonded Turntrans-96.7-32178.6-74.5154.3-159.300113.3P10 N11P10-E14 HydrophobicContact CB-CB 4.38Å; N11-E14 HydrophobicContact CB-CB 4.15Å; N11-E14 HydrophobicContact CB-CG 3.82Å; N11-E14 VanDerWaalsContact CB-OE1 3.27Å; N11-E14 WeakPolarHBondContact CB-OE1 3.37Å; N11-E14 VanDerWaalsContact CB-OE2 3.31Å; N11-E14 WeakPolarHBondContact CB-OE2 3.36Å; N11-E14 PolarHBondContact N-OE2 3.31Å; N11-E14 WeakPolarHBondContact O-CB 3.3Å; N11-E14 PolarHBondContact O-N 2.89Å
15L74.7Confident68Low25 Ų2577.8 Ų77.813%0.13142%0.418CS..SBendtrans-52.2152.1175.4-68172.5000112.9P10 N11 L12 E19 L20 R83P10-L15 HydrophobicContact CG-CD2 3.95Å; N11-L15 PolarHBondContact O-N 3.08Å; L12-L15 HydrophobicContact CD2-CD1 3.99Å; L15-E19 HydrophobicContact CB-CB 4.45Å; L15-E19 HydrophobicContact CD2-CB 4.27Å; L15-L20 HydrophobicContact CB-CD1 4.44Å; L15-L20 HydrophobicContact CB-CD2 4.14Å; L15-L20 HydrophobicContact CB-CG 3.88Å; L15-L20 HydrophobicContact CD1-CD2 3.79Å; L15-L20 HydrophobicContact CD1-CG 4.34Å; L15-R83 PolarHBondContact O-NH1 2.69Å; L15-R83 PolarHBondContact O-NH2 2.75Å
16S78.4Confident70.4Confident36 Ų3679.3 Ų79.325%0.25242%0.417SS..  trans-69.1169.6170.762.50000112.6E18 E19 L20S16-E18 VanDerWaalsContact C-N 3.3Å; S16-E19 VanDerWaalsContact CB-OE2 3.27Å; S16-E19 WeakPolarHBondContact CB-OE2 3.48Å; S16-E19 PolarHBondContact N-OE2 2.99Å; S16-E19 WeakPolarHBondContact OG-CB 3.45Å; S16-E19 WeakPolarHBondContact OG-CG 3.16Å; S16-E19 PolarHBondContact OG-N 3.24Å; S16-E19 VanDerWaalsContact OG-N 3.13Å; S16-E19 PolarHBondContact OG-OE2 2.63Å; S16-L20 WeakPolarHBondContact O-CB 3.4Å; S16-L20 WeakPolarHBondContact O-CD1 3.37Å; S16-L20 VanDerWaalsContact O-CG 3.27Å; S16-L20 WeakPolarHBondContact O-CG 3.33Å; S16-L20 PolarHBondContact O-N 3.43Å
17E82.1Confident72.9Confident77 Ų7774.3 Ų74.336%0.3639%0.386SS..Hα-helixtrans-67.9-37.4175.7-179.916714100111W21 G82 R83E17-W21 PolarHBondContact O-N 3.37Å; E17-G82 VanDerWaalsContact CD-CA 3.43Å; E17-G82 WeakPolarHBondContact OE1-CA 3.44Å; E17-R83 HydrophobicContact CB-CB 4.13Å; E17-R83 HydrophobicContact CG-CB 4.05Å; E17-R83 VanDerWaalsContact OE2-CB 3.3Å; E17-R83 WeakPolarHBondContact OE2-CB 3.24Å; E17-R83 PolarHBondContact OE2-N 2.86Å
18E80.6Confident75.2Confident130 Ų13071.2 Ų71.261%0.60736%0.36SS*.Hα-helixtrans-63.2-53.4178.3-6572-164.600111S16 L20 W21 E22S16-E18 VanDerWaalsContact C-N 3.3Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.2Å; E18-W21 CarbonylContact O-C 3.34Å; E18-W21 PolarHBondContact O-N 3.01Å; E18-W21 VanDerWaalsContact O-N 3.15Å; E18-E22 PolarHBondContact O-N 3.1Å
19E83.1Confident77.1Confident101 Ų10168.4 Ų68.447%0.47235%0.346SS..Hα-helixtrans-60.7-38.6177.9-71161.5135.100112.4L15 S16 L23L15-E19 HydrophobicContact CB-CB 4.45Å; L15-E19 HydrophobicContact CD2-CB 4.27Å; S16-E19 VanDerWaalsContact CB-OE2 3.27Å; S16-E19 WeakPolarHBondContact CB-OE2 3.48Å; S16-E19 PolarHBondContact N-OE2 2.99Å; S16-E19 WeakPolarHBondContact OG-CB 3.45Å; S16-E19 WeakPolarHBondContact OG-CG 3.16Å; S16-E19 PolarHBondContact OG-N 3.24Å; S16-E19 VanDerWaalsContact OG-N 3.13Å; S16-E19 PolarHBondContact OG-OE2 2.63Å; E19-L23 WeakPolarHBondContact O-CB 3.45Å; E19-L23 PolarHBondContact O-N 3.43Å; E19-L23 VanDerWaalsContact O-N 3.07Å
20L84.6Confident78.9Confident0 Ų071.7 Ų71.70%035%0.348CS..Hα-helixtrans-64.7-42.3175.7-76.2169.7000111.6L12 L15 S16 E18 I24 R83 A86 I87 L90L12-L20 HydrophobicContact CD2-CD2 4.49Å; L15-L20 HydrophobicContact CB-CD1 4.44Å; L15-L20 HydrophobicContact CB-CD2 4.14Å; L15-L20 HydrophobicContact CB-CG 3.88Å; L15-L20 HydrophobicContact CD1-CD2 3.79Å; L15-L20 HydrophobicContact CD1-CG 4.34Å; S16-L20 WeakPolarHBondContact O-CB 3.4Å; S16-L20 WeakPolarHBondContact O-CD1 3.37Å; S16-L20 VanDerWaalsContact O-CG 3.27Å; S16-L20 WeakPolarHBondContact O-CG 3.33Å; S16-L20 PolarHBondContact O-N 3.43Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.2Å; L20-I24 VanDerWaalsContact O-CD1 3.32Å; L20-I24 WeakPolarHBondContact O-CD1 3.47Å; L20-I24 VanDerWaalsContact O-CG1 3.27Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 3.24Å; L20-R83 HydrophobicContact CD1-CG 4.16Å; L20-A86 HydrophobicContact CB-CB 3.94Å; L20-I87 HydrophobicContact CD1-CG1 4.17Å; L20-L90 HydrophobicContact CD2-CD1 3.95Å
21W88.2Confident80.6Confident11 Ų1168.2 Ų68.24%0.04233%0.326CS..Hα-helixtrans-76.2-29.4178-83112.9000113.7E17 E18 I24 N25 L78 R79 G82 A86E17-W21 PolarHBondContact O-N 3.37Å; E18-W21 CarbonylContact O-C 3.34Å; E18-W21 PolarHBondContact O-N 3.01Å; E18-W21 VanDerWaalsContact O-N 3.15Å; W21-I24 HydrophobicContact CD2-CD1 4.32Å; W21-I24 HydrophobicContact CE3-CB 4.02Å; W21-I24 HydrophobicContact CE3-CD1 3.98Å; W21-I24 HydrophobicContact CE3-CG2 3.87Å; W21-I24 HydrophobicContact CH2-CD1 4.48Å; W21-I24 HydrophobicContact CZ3-CB 4.31Å; W21-I24 HydrophobicContact CZ3-CD1 4.09Å; W21-I24 HydrophobicContact CZ3-CG2 3.69Å; W21-I24 PolarHBondContact O-N 3.25Å; W21-N25 VanDerWaalsContact O-CB 3.29Å; W21-N25 WeakPolarHBondContact O-CB 3.43Å; W21-N25 PolarHBondContact O-N 3.45Å; W21-N25 PolarHBondContact O-ND2 3.08Å; W21-L78 HydrophobicContact CH2-CB 3.89Å; W21-L78 HydrophobicContact CZ2-CB 4.41Å; W21-L78 WeakPolarHBondContact CZ2-O 3.3Å; W21-R79 HydrophobicContact CD2-CB 4.48Å; W21-R79 HydrophobicContact CD2-CG 4.11Å; W21-R79 HydrophobicContact CE3-CB 4.45Å; W21-R79 HydrophobicContact CE3-CG 4.36Å; W21-R79 HydrophobicContact CH2-CB 4.06Å; W21-R79 VanDerWaalsContact CZ2-CA 3.44Å; W21-R79 HydrophobicContact CZ2-CB 4.09Å; W21-R79 HydrophobicContact CZ2-CG 4.48Å; W21-R79 HydrophobicContact CZ3-CB 4.23Å; W21-G82 PolarHBondContact NE1-O 2.86Å; W21-A86 HydrophobicContact CD2-CB 4.29Å; W21-A86 HydrophobicContact CZ2-CB 4Å
22E87.3Confident81.9Confident133 Ų13364.4 Ų64.462%0.62131%0.306SS*.Hα-helixtrans-64.4-48.3169.8-73.1-165.9154.900110.8E18 I24 N25 D26E18-E22 PolarHBondContact O-N 3.1Å; E22-I24 PolarHBondContact O-N 2.88Å; E22-N25 PolarHBondContact O-N 3.44Å; E22-D26 PolarHBondContact O-N 3.44Å
23L86.7Confident83Confident50 Ų5067.7 Ų67.726%0.26232%0.323SS..Hα-helixtrans-54.8-38.6175.7-176.567.4000113.2E19 N27 V104E19-L23 WeakPolarHBondContact O-CB 3.45Å; E19-L23 PolarHBondContact O-N 3.43Å; E19-L23 VanDerWaalsContact O-N 3.07Å; L23-N27 PolarHBondContact O-ND2 2.89Å; L23-V104 WeakPolarHBondContact CD1-O 3.35Å
24I87.8Confident84Confident1 Ų162.9 Ų62.91%0.00531%0.309CS..Hα-helixtrans-73.5-39.3175.4-67.6161.6000111.4L20 W21 E22 N27 R28 I31 L75 A86 L89 L90L20-I24 VanDerWaalsContact O-CD1 3.32Å; L20-I24 WeakPolarHBondContact O-CD1 3.47Å; L20-I24 VanDerWaalsContact O-CG1 3.27Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 3.24Å; W21-I24 HydrophobicContact CD2-CD1 4.32Å; W21-I24 HydrophobicContact CE3-CB 4.02Å; W21-I24 HydrophobicContact CE3-CD1 3.98Å; W21-I24 HydrophobicContact CE3-CG2 3.87Å; W21-I24 HydrophobicContact CH2-CD1 4.48Å; W21-I24 HydrophobicContact CZ3-CB 4.31Å; W21-I24 HydrophobicContact CZ3-CD1 4.09Å; W21-I24 HydrophobicContact CZ3-CG2 3.69Å; W21-I24 PolarHBondContact O-N 3.25Å; E22-I24 PolarHBondContact O-N 2.88Å; I24-N27 CarbonylContact O-C 3.56Å; I24-N27 PolarHBondContact O-N 3.31Å; I24-R28 WeakPolarHBondContact O-CA 3.36Å; I24-R28 PolarHBondContact O-N 3.01Å; I24-I31 HydrophobicContact CG2-CD1 4.12Å; I24-L75 HydrophobicContact CG2-CD2 4.45Å; I24-A86 HydrophobicContact CD1-CB 3.61Å; I24-L89 HydrophobicContact CD1-CD2 4.05Å; I24-L89 HydrophobicContact CG1-CD2 4.28Å; I24-L89 HydrophobicContact CG2-CD2 3.78Å; I24-L90 HydrophobicContact CD1-CD1 4.46Å; I24-L90 HydrophobicContact CD1-CG 4.33Å; I24-L90 HydrophobicContact CG1-CD2 4.29Å; I24-L90 HydrophobicContact CG1-CG 4.48Å
25N87.6Confident85.1Confident49 Ų4956.7 Ų56.726%0.26228%0.28SS..Hα-helixtrans-71.7-40.9-178.8-79.8-59000112.7W21 E22 N27 R28W21-N25 VanDerWaalsContact O-CB 3.29Å; W21-N25 WeakPolarHBondContact O-CB 3.43Å; W21-N25 PolarHBondContact O-N 3.45Å; W21-N25 PolarHBondContact O-ND2 3.08Å; E22-N25 PolarHBondContact O-N 3.44Å; N25-N27 PolarHBondContact O-N 3.44Å; N25-R28 WeakPolarHBondContact O-CB 3.48Å; N25-R28 PolarHBondContact O-N 3.29Å
26D87.8Confident85.7Confident140 Ų14061.8 Ų61.875%0.74930%0.298SS*.Hα-helixtrans-57.9-36.4173.4-75.9-13000111.9E22E22-D26 PolarHBondContact O-N 3.44Å
27N87.4Confident86Confident21 Ų2160.6 Ų60.611%0.11229%0.289CS..THydrogen-bonded Turntrans-91.11.2176.6-74.9-80.4000114.1L23 I24 N25 H29 R30 I31 V104L23-N27 PolarHBondContact O-ND2 2.89Å; I24-N27 CarbonylContact O-C 3.56Å; I24-N27 PolarHBondContact O-N 3.31Å; N25-N27 PolarHBondContact O-N 3.44Å; N27-H29 VanDerWaalsContact C-N 3.27Å; N27-H29 PolarHBondContact O-N 3.35Å; N27-H29 VanDerWaalsContact O-N 3.12Å; N27-R30 WeakPolarHBondContact O-CA 3.42Å; N27-R30 WeakPolarHBondContact O-CB 3.41Å; N27-R30 PolarHBondContact O-N 2.92Å; N27-R30 PolarHBondContact OD1-NH1 2.88Å; N27-I31 HydrophobicContact CB-CD1 4.02Å; N27-I31 HydrophobicContact CB-CG1 4.3Å; N27-I31 WeakPolarHBondContact O-CG1 3.41Å; N27-I31 PolarHBondContact O-N 3.16Å; N27-V104 HydrophobicContact CB-CB 4.4Å; N27-V104 HydrophobicContact CB-CG1 4.03Å; N27-V104 HydrophobicContact CB-CG2 3.88Å; N27-V104 PolarHBondContact ND2-O 3.41Å
28R89.1Confident85.9Confident49 Ų4960.1 Ų60.119%0.18529%0.293CS..Hα-helixtrans-56.4-37.1-168.2180166.5179.2149.4-1.1113.9I24 N25 I31 S32 S72 L75 D76I24-R28 WeakPolarHBondContact O-CA 3.36Å; I24-R28 PolarHBondContact O-N 3.01Å; N25-R28 WeakPolarHBondContact O-CB 3.48Å; N25-R28 PolarHBondContact O-N 3.29Å; R28-I31 PolarHBondContact O-N 3.09Å; R28-S32 WeakPolarHBondContact O-CB 3.3Å; R28-S32 PolarHBondContact O-N 3.4Å; R28-S32 PolarHBondContact O-OG 2.96Å; R28-S72 PolarHBondContact NE-OG 3.48Å; R28-S72 PolarHBondContact NH2-O 3.34Å; R28-S72 VanDerWaalsContact NH2-O 3.09Å; R28-S72 PolarHBondContact NH2-OG 3.1Å; R28-L75 HydrophobicContact CG-CD1 3.92Å; R28-D76 IonicContact CZ-OD1 2.73Å; R28-D76 VanDerWaalsContact CZ-OD1 3.24Å; R28-D76 IonicContact CZ-OD2 3.24Å; R28-D76 IonicContact NH1-OD1 3.77Å; R28-D76 PolarHBondContact NH1-OD1 3.31Å; R28-D76 IonicContact NH2-OD1 2.76Å; R28-D76 PolarHBondContact NH2-OD1 2.76Å; R28-D76 IonicContact NH2-OD2 2.96Å; R28-D76 PolarHBondContact NH2-OD2 3.41Å
29H85Confident86.2Confident137 Ų13757 Ų5763%0.63428%0.28SS*.Hα-helixtrans-60.7-44.8174.9178.9-112.2000112N27 S32 L33N27-H29 VanDerWaalsContact C-N 3.27Å; N27-H29 PolarHBondContact O-N 3.35Å; N27-H29 VanDerWaalsContact O-N 3.12Å; H29-S32 PolarHBondContact O-N 2.78Å; H29-L33 WeakPolarHBondContact O-CG 3.23Å; H29-L33 PolarHBondContact O-N 2.86Å; H29-L33 VanDerWaalsContact O-N 3.16Å
30R84.9Confident86.2Confident103 Ų10352.1 Ų52.139%0.38926%0.258SS..Hα-helixtrans-68.6-42.6-180-56170.873.5-16810.6111.2N27 G34 Q103N27-R30 WeakPolarHBondContact O-CA 3.42Å; N27-R30 WeakPolarHBondContact O-CB 3.41Å; N27-R30 PolarHBondContact O-N 2.92Å; N27-R30 PolarHBondContact OD1-NH1 2.88Å; R30-G34 PolarHBondContact O-N 3.37Å; R30-Q103 PolarHBondContact NH1-O 2.8Å
31I88.3Confident86.3Confident2 Ų252.4 Ų52.41%0.0126%0.259CS..Hα-helixtrans-63.3-47.7176.2-61.7170.9000110.1I24 N27 R28 L33 G34 V35 L75 V104I24-I31 HydrophobicContact CG2-CD1 4.12Å; N27-I31 HydrophobicContact CB-CD1 4.02Å; N27-I31 HydrophobicContact CB-CG1 4.3Å; N27-I31 WeakPolarHBondContact O-CG1 3.41Å; N27-I31 PolarHBondContact O-N 3.16Å; R28-I31 PolarHBondContact O-N 3.09Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 2.99Å; I31-G34 PolarHBondContact O-N 3.24Å; I31-V35 HydrophobicContact CG2-CG2 3.87Å; I31-V35 WeakPolarHBondContact O-CB 3.47Å; I31-V35 WeakPolarHBondContact O-CG2 3.4Å; I31-V35 PolarHBondContact O-N 2.83Å; I31-L75 HydrophobicContact CB-CD1 4.43Å; I31-L75 HydrophobicContact CG2-CD1 3.95Å; I31-L75 HydrophobicContact CG2-CD2 4.15Å; I31-V104 HydrophobicContact CD1-CG1 4.3Å; I31-V104 HydrophobicContact CD1-CG2 4.15Å; I31-V104 HydrophobicContact CG1-CG2 3.92Å
32S88.5Confident86.1Confident4 Ų455.9 Ų55.93%0.02828%0.283CS..Hα-helixtrans-63.9-35.8-176.3-570000113.3R28 H29 C68 T71R28-S32 WeakPolarHBondContact O-CB 3.3Å; R28-S32 PolarHBondContact O-N 3.4Å; R28-S32 PolarHBondContact O-OG 2.96Å; H29-S32 PolarHBondContact O-N 2.78Å; S32-C68 WeakPolarHBondContact CB-SG 3.4Å; S32-T71 PolarHBondContact O-OG1 3.47Å
33L85.4Confident85.9Confident95 Ų9551.3 Ų51.350%0.49726%0.26SS..Hα-helixtrans-76.8-42.5172.6-68175.1000112.8H29 I31 R67 C68H29-L33 WeakPolarHBondContact O-CG 3.23Å; H29-L33 PolarHBondContact O-N 2.86Å; H29-L33 VanDerWaalsContact O-N 3.16Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 2.99Å; L33-R67 PolarHBondContact O-NH2 2.86Å; L33-C68 HydrophobicContact CD2-CB 4.32Å
34G81.5Confident85.8Confident26 Ų2649 Ų4927%0.26825%0.248SC..Hα-helixtrans-76.9-35-171.100000115R30 I31 R67R30-G34 PolarHBondContact O-N 3.37Å; I31-G34 PolarHBondContact O-N 3.24Å; G34-R67 PolarHBondContact O-NH2 3.02Å
35V88.9Confident85.6Confident0 Ų053.9 Ų53.90%027%0.266CS..  trans-91.7145.9-170.7176.80000112.7I31 L40 R67 T71 M74 L93 Y97 L100I31-V35 HydrophobicContact CG2-CG2 3.87Å; I31-V35 WeakPolarHBondContact O-CB 3.47Å; I31-V35 WeakPolarHBondContact O-CG2 3.4Å; I31-V35 PolarHBondContact O-N 2.83Å; V35-L40 HydrophobicContact CG1-CD1 3.57Å; V35-L40 HydrophobicContact CG1-CG 4.03Å; V35-R67 VanDerWaalsContact O-CZ 3.3Å; V35-R67 PolarHBondContact O-NE 3.29Å; V35-R67 PolarHBondContact O-NH2 3.33Å; V35-T71 HydrophobicContact CB-CG2 3.95Å; V35-T71 HydrophobicContact CG1-CG2 4.23Å; V35-T71 PolarHBondContact O-OG1 3.07Å; V35-M74 HydrophobicContact CG1-CE 4.45Å; V35-L93 HydrophobicContact CG2-CD2 3.48Å; V35-L93 VanDerWaalsContact CG2-CD2 3.48Å; V35-Y97 HydrophobicContact CB-CE2 4.43Å; V35-Y97 HydrophobicContact CG1-CE2 3.97Å; V35-Y97 HydrophobicContact CG2-CD2 4.36Å; V35-Y97 HydrophobicContact CG2-CE2 4.42Å; V35-L100 HydrophobicContact CG2-CD1 4.26Å
36R86.9Confident85.3Confident133 Ų13359 Ų5950%0.50229%0.289SS..  trans-106.1116.7166.8-64.7178.265.7156.71.8107.9C38 I39 Y97R36-C38 VanDerWaalsContact C-N 3.28Å; R36-C38 PolarHBondContact O-N 3.19Å; R36-I39 HydrophobicContact CB-CB 4.41Å; R36-I39 HydrophobicContact CB-CD1 4.12Å; R36-I39 HydrophobicContact CB-CG1 4.07Å; R36-I39 HydrophobicContact CG-CD1 4.47Å; R36-I39 PolarHBondContact O-N 2.86Å; R36-Y97 WeakPolarHBondContact CB-OH 3.22Å; R36-Y97 PolarHBondContact N-OH 3.36Å
37P83.8Confident85Confident11 Ų1155.4 Ų55.47%0.07127%0.271CS..Hα-helixtrans-51.1-45.5-179.2-32.138.2000113.3I39 L40 F41 I58 T71 M74P37-I39 PolarHBondContact O-N 3.41Å; P37-L40 PolarHBondContact O-N 3.47Å; P37-F41 HydrophobicContact CB-CD1 4.32Å; P37-F41 HydrophobicContact CB-CE1 3.54Å; P37-F41 HydrophobicContact CB-CE2 4.21Å; P37-F41 HydrophobicContact CB-CZ 3.47Å; P37-F41 VanDerWaalsContact CB-CZ 3.47Å; P37-F41 WeakPolarHBondContact O-CD1 3.39Å; P37-F41 VanDerWaalsContact O-CG 3.29Å; P37-F41 WeakPolarHBondContact O-CG 3.32Å; P37-F41 PolarHBondContact O-N 3.5Å; P37-I58 HydrophobicContact CB-CG2 4.39Å; P37-T71 HydrophobicContact CG-CG2 4.47Å; P37-M74 HydrophobicContact CB-SD 3.67Å; P37-M74 HydrophobicContact CG-SD 4.12Å
38C81.6Confident84.7Confident66 Ų6663.3 Ų63.345%0.44631%0.305SS..Hα-helixtrans-62.5-8.3178.159.50000116.5R36 F41R36-C38 VanDerWaalsContact C-N 3.28Å; R36-C38 PolarHBondContact O-N 3.19Å; C38-F41 HydrophobicContact CB-CD2 4.42Å
39I84.9Confident84.5Confident64 Ų6461.6 Ų61.633%0.32830%0.3SS..Hα-helixtrans-92.9-26.8171.5-65.9-175.1000111.2R36 P37 H96 Y97R36-I39 HydrophobicContact CB-CB 4.41Å; R36-I39 HydrophobicContact CB-CD1 4.12Å; R36-I39 HydrophobicContact CB-CG1 4.07Å; R36-I39 HydrophobicContact CG-CD1 4.47Å; R36-I39 PolarHBondContact O-N 2.86Å; P37-I39 PolarHBondContact O-N 3.41Å; I39-H96 HydrophobicContact CG2-CB 3.86Å; I39-Y97 HydrophobicContact CB-CE2 4.45Å; I39-Y97 HydrophobicContact CG2-CE2 4.13Å
40L85.1Confident84.5Confident0 Ų055.4 Ų55.40%027%0.271CS..Hα-helixtrans-91-26.9176.7-61.5-171.5000113.2V35 P37 P42 Y43 L44 M74 L89 G92 H96 Y97V35-L40 HydrophobicContact CG1-CD1 3.57Å; V35-L40 HydrophobicContact CG1-CG 4.03Å; P37-L40 PolarHBondContact O-N 3.47Å; L40-P42 VanDerWaalsContact C-CD 3.49Å; L40-Y43 PolarHBondContact O-N 2.89Å; L40-L44 HydrophobicContact CB-CD1 3.83Å; L40-L44 HydrophobicContact CB-CG 4.28Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.09Å; L40-M74 HydrophobicContact CD1-CE 4.33Å; L40-L89 HydrophobicContact CD1-CD1 4.01Å; L40-G92 WeakPolarHBondContact CD2-O 3.39Å; L40-H96 HydrophobicContact CD2-CB 3.99Å; L40-Y97 HydrophobicContact CD2-CD2 4.06Å; L40-Y97 HydrophobicContact CD2-CE2 3.96Å; L40-Y97 HydrophobicContact CG-CE2 4.22Å
41F85.6Confident84.5Confident5 Ų554 Ų542%0.02228%0.275CS..Hα-helixtrans-47.2-48-179.1-71.9-10.3000114.9P37 C38 Y43 L44 R45 L50 E55 I58 L59 M74P37-F41 HydrophobicContact CB-CD1 4.32Å; P37-F41 HydrophobicContact CB-CE1 3.54Å; P37-F41 HydrophobicContact CB-CE2 4.21Å; P37-F41 HydrophobicContact CB-CZ 3.47Å; P37-F41 VanDerWaalsContact CB-CZ 3.47Å; P37-F41 WeakPolarHBondContact O-CD1 3.39Å; P37-F41 VanDerWaalsContact O-CG 3.29Å; P37-F41 WeakPolarHBondContact O-CG 3.32Å; P37-F41 PolarHBondContact O-N 3.5Å; C38-F41 HydrophobicContact CB-CD2 4.42Å; F41-Y43 VanDerWaalsContact C-N 3.26Å; F41-Y43 PolarHBondContact O-N 2.84Å; F41-L44 PolarHBondContact O-N 2.95Å; F41-R45 WeakPolarHBondContact O-CB 3.14Å; F41-R45 PolarHBondContact O-N 2.93Å; F41-L50 HydrophobicContact CD1-CD2 4.44Å; F41-E55 HydrophobicContact CB-CG 4.13Å; F41-E55 WeakPolarHBondContact CB-OE2 3.39Å; F41-E55 HydrophobicContact CD1-CG 4.09Å; F41-E55 HydrophobicContact CD2-CB 4.06Å; F41-E55 HydrophobicContact CD2-CG 3.75Å; F41-E55 WeakPolarHBondContact CD2-OE2 3.21Å; F41-E55 HydrophobicContact CE1-CG 4.42Å; F41-E55 HydrophobicContact CE2-CB 4.06Å; F41-E55 HydrophobicContact CE2-CG 4.12Å; F41-E55 HydrophobicContact CG-CG 3.74Å; F41-E55 HydrophobicContact CZ-CG 4.44Å; F41-I58 HydrophobicContact CE1-CD1 3.82Å; F41-I58 HydrophobicContact CE1-CG2 4.49Å; F41-I58 HydrophobicContact CZ-CB 3.97Å; F41-I58 HydrophobicContact CZ-CD1 3.92Å; F41-I58 HydrophobicContact CZ-CG2 3.8Å; F41-L59 HydrophobicContact CE2-CD1 4.1Å; F41-L59 HydrophobicContact CE2-CD2 4.14Å; F41-L59 HydrophobicContact CE2-CG 3.97Å; F41-M74 HydrophobicContact CD1-SD 4.33Å; F41-M74 HydrophobicContact CE1-CG 4.24Å; F41-M74 HydrophobicContact CE1-SD 3.84Å
42P83.1Confident84.2Confident84 Ų8459.5 Ų59.555%0.54530%0.3SS..Hα-helixtrans-59.8-36.9-179.8-23.235.1000113L40 Q46L40-P42 VanDerWaalsContact C-CD 3.49Å; P42-Q46 VanDerWaalsContact O-CB 3.29Å; P42-Q46 WeakPolarHBondContact O-CB 3.5Å; P42-Q46 PolarHBondContact O-N 3.2Å; P42-Q46 VanDerWaalsContact O-N 3.08Å
43Y83.6Confident83.9Confident38 Ų3864.7 Ų64.715%0.14933%0.331CS..Hα-helixtrans-74.4-45.3177.2-177.9-103.4000111.9L40 F41 R45 Q46 V47 A88 E91 I95L40-Y43 PolarHBondContact O-N 2.89Å; F41-Y43 VanDerWaalsContact C-N 3.26Å; F41-Y43 PolarHBondContact O-N 2.84Å; Y43-R45 VanDerWaalsContact C-N 3.3Å; Y43-R45 PolarHBondContact O-N 3.47Å; Y43-Q46 WeakPolarHBondContact O-CB 3.43Å; Y43-Q46 PolarHBondContact O-N 3.02Å; Y43-Q46 VanDerWaalsContact O-N 3.11Å; Y43-V47 HydrophobicContact CD1-CG2 4.37Å; Y43-V47 HydrophobicContact CD2-CG2 4.35Å; Y43-V47 HydrophobicContact CE1-CG2 3.94Å; Y43-V47 HydrophobicContact CE2-CG2 3.92Å; Y43-V47 WeakPolarHBondContact O-CG2 3.28Å; Y43-V47 PolarHBondContact O-N 3.27Å; Y43-A88 WeakPolarHBondContact CE1-O 3.44Å; Y43-E91 HydrophobicContact CE1-CB 4.15Å; Y43-E91 WeakPolarHBondContact OH-CB 3.47Å; Y43-E91 PolarHBondContact OH-OE2 3.25Å; Y43-I95 HydrophobicContact CD2-CD1 3.95Å; Y43-I95 HydrophobicContact CE1-CD1 4.35Å; Y43-I95 HydrophobicContact CE2-CD1 3.5Å
44L84.9Confident83.9Confident0 Ų062 Ų620%032%0.317CS..Hα-helixtrans-63.8-34.7179-64.9171.1000112.2L40 F41 K48 V49 L50 M74 L78 A88L40-L44 HydrophobicContact CB-CD1 3.83Å; L40-L44 HydrophobicContact CB-CG 4.28Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.09Å; F41-L44 PolarHBondContact O-N 2.95Å; L44-K48 PolarHBondContact O-N 2.71Å; L44-V49 PolarHBondContact O-N 2.92Å; L44-L50 HydrophobicContact CB-CB 3.94Å; L44-L50 HydrophobicContact CD1-CD1 4.21Å; L44-L50 PolarHBondContact O-N 2.98Å; L44-M74 HydrophobicContact CD1-SD 4.32Å; L44-L78 HydrophobicContact CD1-CD1 4.13Å; L44-L78 HydrophobicContact CD1-CD2 4.27Å; L44-L78 HydrophobicContact CD2-CD2 4.09Å; L44-A88 HydrophobicContact CD2-CB 3.95Å
45R83.6Confident84Confident105 Ų10561.5 Ų61.540%0.39631%0.308SS..Hα-helixtrans-68.4-43.1170.6-160.4-166.1-56.7-174.45.5111.6F41 Y43 V47 K48 L50 E52 E55F41-R45 WeakPolarHBondContact O-CB 3.14Å; F41-R45 PolarHBondContact O-N 2.93Å; Y43-R45 VanDerWaalsContact C-N 3.3Å; Y43-R45 PolarHBondContact O-N 3.47Å; R45-V47 VanDerWaalsContact C-N 3.34Å; R45-V47 PolarHBondContact O-N 2.93Å; R45-K48 WeakPolarHBondContact O-CA 3.39Å; R45-K48 PolarHBondContact O-N 2.93Å; R45-L50 WeakPolarHBondContact CA-O 3.41Å; R45-E52 IonicContact CZ-OE1 3.21Å; R45-E52 IonicContact NE-OE1 3.89Å; R45-E52 IonicContact NH1-OE1 3.99Å; R45-E52 PolarHBondContact NH1-OE1 2.92Å; R45-E55 IonicContact CZ-OE1 2.82Å; R45-E55 VanDerWaalsContact CZ-OE1 3.24Å; R45-E55 IonicContact CZ-OE2 2.66Å; R45-E55 IonicContact NE-OE1 2.72Å; R45-E55 PolarHBondContact NE-OE1 3.31Å; R45-E55 IonicContact NE-OE2 3.33Å; R45-E55 IonicContact NH2-OE1 3.19Å; R45-E55 PolarHBondContact NH2-OE1 3.03Å; R45-E55 IonicContact NH2-OE2 2.6Å; R45-E55 PolarHBondContact NH2-OE2 3.18Å
46Q81.6Confident83.6Confident156 Ų15666.6 Ų66.673%0.72934%0.335SS*.Hα-helixtrans-62-38.5177.4-174.5178.513.100112.8P42 Y43 K48P42-Q46 VanDerWaalsContact O-CB 3.29Å; P42-Q46 WeakPolarHBondContact O-CB 3.5Å; P42-Q46 PolarHBondContact O-N 3.2Å; P42-Q46 VanDerWaalsContact O-N 3.08Å; Y43-Q46 WeakPolarHBondContact O-CB 3.43Å; Y43-Q46 PolarHBondContact O-N 3.02Å; Y43-Q46 VanDerWaalsContact O-N 3.11Å; Q46-K48 PolarHBondContact O-N 3.42Å
47V80.3Confident83.5Confident64 Ų6463 Ų6339%0.38832%0.324SS..THydrogen-bonded Turntrans-81.5-1.2175.3-172.10000111.9Y43 R45 V49 A88Y43-V47 HydrophobicContact CD1-CG2 4.37Å; Y43-V47 HydrophobicContact CD2-CG2 4.35Å; Y43-V47 HydrophobicContact CE1-CG2 3.94Å; Y43-V47 HydrophobicContact CE2-CG2 3.92Å; Y43-V47 WeakPolarHBondContact O-CG2 3.28Å; Y43-V47 PolarHBondContact O-N 3.27Å; R45-V47 VanDerWaalsContact C-N 3.34Å; R45-V47 PolarHBondContact O-N 2.93Å; V47-V49 VanDerWaalsContact C-N 3.32Å; V47-V49 HydrophobicContact CB-CG2 4.3Å; V47-V49 HydrophobicContact CG1-CG2 3.95Å; V47-V49 PolarHBondContact O-N 3.33Å; V47-A88 HydrophobicContact CG1-CB 4.13Å
48K81.3Confident83.6Confident188 Ų18862.4 Ų62.482%0.81732%0.321SS*.THydrogen-bonded Turntrans60.832.8178.9-54.4-176.8178.4-177.40114.8L44 R45 Q46L44-K48 PolarHBondContact O-N 2.71Å; R45-K48 WeakPolarHBondContact O-CA 3.39Å; R45-K48 PolarHBondContact O-N 2.93Å; Q46-K48 PolarHBondContact O-N 3.42Å
49V84.7Confident83.5Confident12 Ų1263.2 Ų63.27%0.07332%0.32CS..SBendtrans-96.4-19179.11780000111.6L44 V47 L78 Q81 A88L44-V49 PolarHBondContact O-N 2.92Å; V47-V49 VanDerWaalsContact C-N 3.32Å; V47-V49 HydrophobicContact CB-CG2 4.3Å; V47-V49 HydrophobicContact CG1-CG2 3.95Å; V47-V49 PolarHBondContact O-N 3.33Å; V49-L78 HydrophobicContact CG1-CD2 3.54Å; V49-Q81 HydrophobicContact CG1-CB 4Å; V49-Q81 HydrophobicContact CG1-CG 4.07Å; V49-Q81 WeakPolarHBondContact O-CG 3.31Å; V49-A88 HydrophobicContact CB-CB 4.3Å; V49-A88 HydrophobicContact CG1-CB 4.35Å; V49-A88 HydrophobicContact CG2-CB 3.78Å
50L86Confident83.2Confident7 Ų763.7 Ų63.74%0.03733%0.329CS..SBendtrans-141.5134.3-178.3-155.5147.9000108.7F41 L44 R45 D54 E55 I58 M74 L78F41-L50 HydrophobicContact CD1-CD2 4.44Å; L44-L50 HydrophobicContact CB-CB 3.94Å; L44-L50 HydrophobicContact CD1-CD1 4.21Å; L44-L50 PolarHBondContact O-N 2.98Å; R45-L50 WeakPolarHBondContact CA-O 3.41Å; L50-D54 HydrophobicContact CD2-CB 3.66Å; L50-D54 HydrophobicContact CG-CB 3.95Å; L50-E55 HydrophobicContact CD2-CB 4.35Å; L50-E55 HydrophobicContact CD2-CG 3.38Å; L50-I58 HydrophobicContact CD1-CD1 4.12Å; L50-I58 HydrophobicContact CD2-CD1 4.31Å; L50-M74 HydrophobicContact CD1-CG 4.13Å; L50-L78 HydrophobicContact CD1-CD2 4.04Å; L50-L78 HydrophobicContact CD1-CG 4.33Å
51T84.6Confident82.8Confident75 Ų7568.4 Ų68.446%0.4635%0.347SS..  trans-98164.5-175.875.90000112.2V53 D54 E55T51-V53 PolarHBondContact O-N 2.81Å; T51-D54 WeakPolarHBondContact CA-OD2 3.24Å; T51-D54 VanDerWaalsContact CB-OD2 3.26Å; T51-D54 WeakPolarHBondContact CB-OD2 3.43Å; T51-D54 WeakPolarHBondContact CG2-OD2 3.27Å; T51-D54 PolarHBondContact N-OD2 3.37Å; T51-D54 WeakPolarHBondContact O-CB 3.36Å; T51-D54 PolarHBondContact O-N 2.92Å; T51-D54 VanDerWaalsContact OG1-CG 3.26Å; T51-D54 PolarHBondContact OG1-N 3.37Å; T51-D54 PolarHBondContact OG1-OD2 2.8Å; T51-E55 PolarHBondContact O-N 3.45Å
52E81.5Confident82Confident116 Ų11676.5 Ų76.554%0.54238%0.384SS..Hα-helixtrans-60.9-30.7179.1-53.7-170.615100112.1R45 E55 D56R45-E52 IonicContact CZ-OE1 3.21Å; R45-E52 IonicContact NE-OE1 3.89Å; R45-E52 IonicContact NH1-OE1 3.99Å; R45-E52 PolarHBondContact NH1-OE1 2.92Å; E52-E55 PolarHBondContact O-N 2.79Å; E52-D56 PolarHBondContact O-N 2.86Å
53V82.7Confident81.4Confident113 Ų11379.4 Ų79.469%0.68540%0.395SS*.Hα-helixtrans-69.6-37.6174.5-175.40000111.5T51 E57T51-V53 PolarHBondContact O-N 2.81Å; V53-E57 WeakPolarHBondContact O-CB 3.38Å; V53-E57 PolarHBondContact O-N 2.98Å
54D84.7Confident81.2Confident38 Ų3878.4 Ų78.420%0.20339%0.392CS..Hα-helixtrans-69.3-37.9176.2-53.4-57.9000111.2L50 T51 E57 I58L50-D54 HydrophobicContact CD2-CB 3.66Å; L50-D54 HydrophobicContact CG-CB 3.95Å; T51-D54 WeakPolarHBondContact CA-OD2 3.24Å; T51-D54 VanDerWaalsContact CB-OD2 3.26Å; T51-D54 WeakPolarHBondContact CB-OD2 3.43Å; T51-D54 WeakPolarHBondContact CG2-OD2 3.27Å; T51-D54 PolarHBondContact N-OD2 3.37Å; T51-D54 WeakPolarHBondContact O-CB 3.36Å; T51-D54 PolarHBondContact O-N 2.92Å; T51-D54 VanDerWaalsContact OG1-CG 3.26Å; T51-D54 PolarHBondContact OG1-N 3.37Å; T51-D54 PolarHBondContact OG1-OD2 2.8Å; D54-E57 PolarHBondContact O-N 2.83Å; D54-I58 VanDerWaalsContact O-CD1 3.32Å; D54-I58 WeakPolarHBondContact O-CD1 3.3Å; D54-I58 WeakPolarHBondContact O-CG1 3.21Å; D54-I58 PolarHBondContact O-N 2.81Å
55E83.8Confident80.7Confident16 Ų1683.2 Ų83.28%0.07542%0.422CS..Hα-helixtrans-61.7-50.5174.3-68.7-173.9-141.600111.7F41 R45 L50 T51 E52 E57 I58 L59F41-E55 HydrophobicContact CB-CG 4.13Å; F41-E55 WeakPolarHBondContact CB-OE2 3.39Å; F41-E55 HydrophobicContact CD1-CG 4.09Å; F41-E55 HydrophobicContact CD2-CB 4.06Å; F41-E55 HydrophobicContact CD2-CG 3.75Å; F41-E55 WeakPolarHBondContact CD2-OE2 3.21Å; F41-E55 HydrophobicContact CE1-CG 4.42Å; F41-E55 HydrophobicContact CE2-CB 4.06Å; F41-E55 HydrophobicContact CE2-CG 4.12Å; F41-E55 HydrophobicContact CG-CG 3.74Å; F41-E55 HydrophobicContact CZ-CG 4.44Å; R45-E55 IonicContact CZ-OE1 2.82Å; R45-E55 VanDerWaalsContact CZ-OE1 3.24Å; R45-E55 IonicContact CZ-OE2 2.66Å; R45-E55 IonicContact NE-OE1 2.72Å; R45-E55 PolarHBondContact NE-OE1 3.31Å; R45-E55 IonicContact NE-OE2 3.33Å; R45-E55 IonicContact NH2-OE1 3.19Å; R45-E55 PolarHBondContact NH2-OE1 3.03Å; R45-E55 IonicContact NH2-OE2 2.6Å; R45-E55 PolarHBondContact NH2-OE2 3.18Å; L50-E55 HydrophobicContact CD2-CB 4.35Å; L50-E55 HydrophobicContact CD2-CG 3.38Å; T51-E55 PolarHBondContact O-N 3.45Å; E52-E55 PolarHBondContact O-N 2.79Å; E55-E57 VanDerWaalsContact C-N 3.25Å; E55-E57 PolarHBondContact O-N 3.42Å; E55-I58 PolarHBondContact O-N 2.87Å; E55-L59 WeakPolarHBondContact O-CG 3.47Å; E55-L59 PolarHBondContact O-N 2.85Å
56D81.5Confident80.6Confident107 Ų10783.4 Ų83.457%0.57243%0.431SS*.Hα-helixtrans-60.4-36.9176.8-85.9-18.7000111.2E52 L59 S60E52-D56 PolarHBondContact O-N 2.86Å; D56-L59 PolarHBondContact O-N 2.79Å; D56-S60 WeakPolarHBondContact O-CB 3.33Å; D56-S60 PolarHBondContact O-N 2.87Å; D56-S60 PolarHBondContact O-OG 3.3Å
57E85.1Confident80.6Confident57 Ų5781.3 Ų81.327%0.26642%0.416SS..Hα-helixtrans-65-47175-172.4174.5-116.200112.6V53 D54 E55 L59 R61 Y73V53-E57 WeakPolarHBondContact O-CB 3.38Å; V53-E57 PolarHBondContact O-N 2.98Å; D54-E57 PolarHBondContact O-N 2.83Å; E55-E57 VanDerWaalsContact C-N 3.25Å; E55-E57 PolarHBondContact O-N 3.42Å; E57-L59 PolarHBondContact O-N 3.02Å; E57-R61 HydrophobicContact CG-CG 3.73Å; E57-R61 WeakPolarHBondContact O-CB 3.33Å; E57-R61 WeakPolarHBondContact O-CG 3.48Å; E57-R61 PolarHBondContact O-N 2.88Å; E57-R61 VanDerWaalsContact O-N 3.11Å; E57-R61 IonicContact OE1-CZ 3.76Å; E57-R61 IonicContact OE1-NE 2.73Å; E57-R61 PolarHBondContact OE1-NE 2.82Å; E57-R61 IonicContact OE1-NH2 4Å; E57-R61 PolarHBondContact OE1-NH2 3.2Å; E57-R61 IonicContact OE2-CZ 3.48Å; E57-R61 IonicContact OE2-NE 3.79Å; E57-R61 PolarHBondContact OE2-NE 3.14Å; E57-R61 IonicContact OE2-NH2 3.05Å; E57-R61 PolarHBondContact OE2-NH2 2.96Å; E57-Y73 HydrophobicContact CG-CE1 4.21Å; E57-Y73 WeakPolarHBondContact OE2-CE1 3.24Å; E57-Y73 PolarHBondContact OE2-OH 2.87Å
58I84.6Confident80.8Confident0 Ų080.2 Ų80.20%041%0.411CS..Hα-helixtrans-62.2-32.6178.6-65.2157000111.3P37 F41 L50 D54 E55 R70 Y73 M74 L77P37-I58 HydrophobicContact CB-CG2 4.39Å; F41-I58 HydrophobicContact CE1-CD1 3.82Å; F41-I58 HydrophobicContact CE1-CG2 4.49Å; F41-I58 HydrophobicContact CZ-CB 3.97Å; F41-I58 HydrophobicContact CZ-CD1 3.92Å; F41-I58 HydrophobicContact CZ-CG2 3.8Å; L50-I58 HydrophobicContact CD1-CD1 4.12Å; L50-I58 HydrophobicContact CD2-CD1 4.31Å; D54-I58 VanDerWaalsContact O-CD1 3.32Å; D54-I58 WeakPolarHBondContact O-CD1 3.3Å; D54-I58 WeakPolarHBondContact O-CG1 3.21Å; D54-I58 PolarHBondContact O-N 2.81Å; E55-I58 PolarHBondContact O-N 2.87Å; I58-R70 HydrophobicContact CG2-CB 4.06Å; I58-R70 VanDerWaalsContact O-CD 3.29Å; I58-R70 WeakPolarHBondContact O-CD 3.43Å; I58-R70 WeakPolarHBondContact O-CG 3.26Å; I58-Y73 HydrophobicContact CG1-CD1 3.95Å; I58-Y73 HydrophobicContact CG1-CE1 4.34Å; I58-M74 HydrophobicContact CD1-CB 3.94Å; I58-M74 HydrophobicContact CD1-CG 3.99Å; I58-M74 HydrophobicContact CG1-CB 4.5Å; I58-M74 HydrophobicContact CG2-CB 4.45Å; I58-L77 HydrophobicContact CD1-CD1 3.74Å; I58-L77 HydrophobicContact CG1-CD1 3.61Å
59L81Confident81Confident82 Ų8275.8 Ų75.843%0.42939%0.394SS..Hα-helixtrans-81.5-47.9179.4-66.9174.3000112.8F41 E55 D56 E57 R70F41-L59 HydrophobicContact CE2-CD1 4.1Å; F41-L59 HydrophobicContact CE2-CD2 4.14Å; F41-L59 HydrophobicContact CE2-CG 3.97Å; E55-L59 WeakPolarHBondContact O-CG 3.47Å; E55-L59 PolarHBondContact O-N 2.85Å; D56-L59 PolarHBondContact O-N 2.79Å; E57-L59 PolarHBondContact O-N 3.02Å; L59-R70 PolarHBondContact O-NE 2.88Å
60S78.3Confident81.2Confident74 Ų7478.6 Ų78.652%0.51740%0.403SS..Hα-helixtrans-88.8-17.5-168.269.90000115.5D56 H62D56-S60 WeakPolarHBondContact O-CB 3.33Å; D56-S60 PolarHBondContact O-N 2.87Å; D56-S60 PolarHBondContact O-OG 3.3Å; S60-H62 PolarHBondContact O-N 3.21Å; S60-H62 PolarHBondContact O-ND1 3.06Å
61R77.2Confident81.3Confident99 Ų9978.2 Ų78.237%0.37440%0.402SS..  trans-61.5102.8178.5-87.1-175.1172.1-161.68.7111.8E57 N63 L64 Y73E57-R61 HydrophobicContact CG-CG 3.73Å; E57-R61 WeakPolarHBondContact O-CB 3.33Å; E57-R61 WeakPolarHBondContact O-CG 3.48Å; E57-R61 PolarHBondContact O-N 2.88Å; E57-R61 VanDerWaalsContact O-N 3.11Å; E57-R61 IonicContact OE1-CZ 3.76Å; E57-R61 IonicContact OE1-NE 2.73Å; E57-R61 PolarHBondContact OE1-NE 2.82Å; E57-R61 IonicContact OE1-NH2 4Å; E57-R61 PolarHBondContact OE1-NH2 3.2Å; E57-R61 IonicContact OE2-CZ 3.48Å; E57-R61 IonicContact OE2-NE 3.79Å; E57-R61 PolarHBondContact OE2-NE 3.14Å; E57-R61 IonicContact OE2-NH2 3.05Å; E57-R61 PolarHBondContact OE2-NH2 2.96Å; R61-N63 PolarHBondContact O-N 3.19Å; R61-L64 HydrophobicContact CB-CD1 3.91Å; R61-L64 HydrophobicContact CB-CG 4.03Å; R61-L64 WeakPolarHBondContact O-CB 3.41Å; R61-L64 PolarHBondContact O-N 3.26Å; R61-Y73 PolarHBondContact NH1-OH 3.47Å; R61-Y73 PolarHBondContact NH2-OH 3.49Å; R61-Y73 VanDerWaalsContact NH2-OH 3.15Å
62H68.5Low81.5Confident175 Ų17576.1 Ų76.181%0.8139%0.39SS*.THydrogen-bonded Turntrans-48.9-30176.5-62.886.2000114.3S60 L64S60-H62 PolarHBondContact O-N 3.21Å; S60-H62 PolarHBondContact O-ND1 3.06Å; H62-L64 VanDerWaalsContact C-N 3.26Å; H62-L64 PolarHBondContact O-N 3.09Å
63N69.7Low81.8Confident146 Ų14672.8 Ų72.878%0.78137%0.373SS*.THydrogen-bonded Turntrans-69.4-19.1178.2-62.5-6.7000113.6R61 T65R61-N63 PolarHBondContact O-N 3.19Å; N63-T65 PolarHBondContact O-N 3.06Å
64L80.3Confident82.2Confident16 Ų1667.4 Ų67.48%0.08434%0.34CS..  trans-92.464.7-178.7-58.4176.9000110.6R61 H62 N66 M69 R70 Y73R61-L64 HydrophobicContact CB-CD1 3.91Å; R61-L64 HydrophobicContact CB-CG 4.03Å; R61-L64 WeakPolarHBondContact O-CB 3.41Å; R61-L64 PolarHBondContact O-N 3.26Å; H62-L64 VanDerWaalsContact C-N 3.26Å; H62-L64 PolarHBondContact O-N 3.09Å; L64-N66 PolarHBondContact O-N 2.93Å; L64-M69 HydrophobicContact CB-CB 4.37Å; L64-M69 HydrophobicContact CD2-CB 4.18Å; L64-R70 HydrophobicContact CB-CG 3.7Å; L64-R70 HydrophobicContact CD1-CG 4.23Å; L64-R70 PolarHBondContact O-NH1 2.83Å; L64-R70 PolarHBondContact O-NH2 2.97Å; L64-Y73 HydrophobicContact CD1-CD1 3.62Å; L64-Y73 HydrophobicContact CD1-CE1 4.46Å; L64-Y73 HydrophobicContact CD1-CG 3.84Å; L64-Y73 HydrophobicContact CD2-CG 4.3Å
65T74Confident82.5Confident101 Ų10165.6 Ų65.662%0.6233%0.331SS*.  trans-49.6-57.5-173.155.20000113.3N63 R70N63-T65 PolarHBondContact O-N 3.06Å; T65-R70 PolarHBondContact O-NH1 3.22Å
66N80.3Confident82.8Confident109 Ų10967.9 Ų67.958%0.58334%0.343SS*.SBendtrans-93.2154.4-173.6-73.8-44.8000113.6L64 C68 M69 R70L64-N66 PolarHBondContact O-N 2.93Å; N66-C68 VanDerWaalsContact C-N 3.28Å; N66-C68 PolarHBondContact O-N 2.83Å; N66-M69 HydrophobicContact CB-CG 4.28Å; N66-M69 WeakPolarHBondContact O-CB 3.38Å; N66-M69 PolarHBondContact O-N 2.65Å; N66-R70 PolarHBondContact O-N 2.82Å
67R83.3Confident83.1Confident113 Ų11364.2 Ų64.243%0.42632%0.324SS..Hα-helixtrans-52.4-44.2173.6171.8-179.9158.3-154.5-7.5112.4L33 G34 V35 M69 R70 T71L33-R67 PolarHBondContact O-NH2 2.86Å; G34-R67 PolarHBondContact O-NH2 3.02Å; V35-R67 VanDerWaalsContact O-CZ 3.3Å; V35-R67 PolarHBondContact O-NE 3.29Å; V35-R67 PolarHBondContact O-NH2 3.33Å; R67-M69 VanDerWaalsContact C-N 3.25Å; R67-M69 PolarHBondContact O-N 2.72Å; R67-R70 PolarHBondContact O-N 2.72Å; R67-R70 VanDerWaalsContact O-N 3.1Å; R67-T71 PolarHBondContact O-N 3.19Å; R67-T71 PolarHBondContact O-OG1 3.17Å; R67-T71 VanDerWaalsContact O-OG1 3.1Å
68C83.9Confident83.2Confident41 Ų4161.5 Ų61.528%0.27731%0.311SS..Hα-helixtrans-58-37.6178.5-168.70000112.1S32 L33 N66 S72S32-C68 WeakPolarHBondContact CB-SG 3.4Å; L33-C68 HydrophobicContact CD2-CB 4.32Å; N66-C68 VanDerWaalsContact C-N 3.28Å; N66-C68 PolarHBondContact O-N 2.83Å; C68-S72 VanDerWaalsContact O-CB 3.26Å; C68-S72 WeakPolarHBondContact O-CB 3.15Å; C68-S72 PolarHBondContact O-N 2.91Å
69M86.3Confident83.3Confident95 Ų9568 Ų6847%0.46834%0.335SS..Hα-helixtrans-66.7-43175.1-59.8-60.9-6900111.7L64 N66 R67 S72 Y73L64-M69 HydrophobicContact CB-CB 4.37Å; L64-M69 HydrophobicContact CD2-CB 4.18Å; N66-M69 HydrophobicContact CB-CG 4.28Å; N66-M69 WeakPolarHBondContact O-CB 3.38Å; N66-M69 PolarHBondContact O-N 2.65Å; R67-M69 VanDerWaalsContact C-N 3.25Å; R67-M69 PolarHBondContact O-N 2.72Å; M69-S72 PolarHBondContact O-N 3.27Å; M69-Y73 WeakPolarHBondContact O-CB 3.31Å; M69-Y73 PolarHBondContact O-N 2.99Å
70R87.9Confident83.5Confident70 Ų7069.3 Ų69.326%0.26435%0.347SS..Hα-helixtrans-63.5-42.9175.8-66.5-174.9178.882.1-5.1112.2I58 L59 L64 T65 N66 R67 Y73 M74I58-R70 HydrophobicContact CG2-CB 4.06Å; I58-R70 VanDerWaalsContact O-CD 3.29Å; I58-R70 WeakPolarHBondContact O-CD 3.43Å; I58-R70 WeakPolarHBondContact O-CG 3.26Å; L59-R70 PolarHBondContact O-NE 2.88Å; L64-R70 HydrophobicContact CB-CG 3.7Å; L64-R70 HydrophobicContact CD1-CG 4.23Å; L64-R70 PolarHBondContact O-NH1 2.83Å; L64-R70 PolarHBondContact O-NH2 2.97Å; T65-R70 PolarHBondContact O-NH1 3.22Å; N66-R70 PolarHBondContact O-N 2.82Å; R67-R70 PolarHBondContact O-N 2.72Å; R67-R70 VanDerWaalsContact O-N 3.1Å; R70-Y73 PolarHBondContact O-N 2.81Å; R70-M74 WeakPolarHBondContact O-CB 3.42Å; R70-M74 PolarHBondContact O-N 2.86Å
71T88.1Confident83.8Confident0 Ų069.8 Ų69.80%034%0.341CS..Hα-helixtrans-65.8-41.5174.9-44.60000111.6S32 V35 P37 R67 M74 L75S32-T71 PolarHBondContact O-OG1 3.47Å; V35-T71 HydrophobicContact CB-CG2 3.95Å; V35-T71 HydrophobicContact CG1-CG2 4.23Å; V35-T71 PolarHBondContact O-OG1 3.07Å; P37-T71 HydrophobicContact CG-CG2 4.47Å; R67-T71 PolarHBondContact O-N 3.19Å; R67-T71 PolarHBondContact O-OG1 3.17Å; R67-T71 VanDerWaalsContact O-OG1 3.1Å; T71-M74 HydrophobicContact CG2-CE 4.17Å; T71-M74 WeakPolarHBondContact O-CB 3.37Å; T71-M74 PolarHBondContact O-N 3.46Å; T71-L75 WeakPolarHBondContact O-CG 3.46Å; T71-L75 PolarHBondContact O-N 3.06Å
72S88.4Confident84.1Confident30 Ų3065.6 Ų65.621%0.2133%0.328CS..Hα-helixtrans-61.5-44.5176-167.30000111.4R28 C68 M69 M74 L75 D76R28-S72 PolarHBondContact NE-OG 3.48Å; R28-S72 PolarHBondContact NH2-O 3.34Å; R28-S72 VanDerWaalsContact NH2-O 3.09Å; R28-S72 PolarHBondContact NH2-OG 3.1Å; C68-S72 VanDerWaalsContact O-CB 3.26Å; C68-S72 WeakPolarHBondContact O-CB 3.15Å; C68-S72 PolarHBondContact O-N 2.91Å; M69-S72 PolarHBondContact O-N 3.27Å; S72-M74 PolarHBondContact O-N 3.48Å; S72-L75 WeakPolarHBondContact O-CB 3.4Å; S72-L75 PolarHBondContact O-N 2.85Å; S72-L75 VanDerWaalsContact O-N 3.1Å; S72-D76 PolarHBondContact O-N 3.02Å; S72-D76 VanDerWaalsContact O-N 3.13Å
73Y89.2Confident84.8Confident46 Ų4661 Ų6118%0.1830%0.304CS..Hα-helixtrans-64.6-39.1176.6-171.8-113.7000112.7E57 I58 R61 L64 M69 R70 L75 D76 L77E57-Y73 HydrophobicContact CG-CE1 4.21Å; E57-Y73 WeakPolarHBondContact OE2-CE1 3.24Å; E57-Y73 PolarHBondContact OE2-OH 2.87Å; I58-Y73 HydrophobicContact CG1-CD1 3.95Å; I58-Y73 HydrophobicContact CG1-CE1 4.34Å; R61-Y73 PolarHBondContact NH1-OH 3.47Å; R61-Y73 PolarHBondContact NH2-OH 3.49Å; R61-Y73 VanDerWaalsContact NH2-OH 3.15Å; L64-Y73 HydrophobicContact CD1-CD1 3.62Å; L64-Y73 HydrophobicContact CD1-CE1 4.46Å; L64-Y73 HydrophobicContact CD1-CG 3.84Å; L64-Y73 HydrophobicContact CD2-CG 4.3Å; M69-Y73 WeakPolarHBondContact O-CB 3.31Å; M69-Y73 PolarHBondContact O-N 2.99Å; R70-Y73 PolarHBondContact O-N 2.81Å; Y73-L75 VanDerWaalsContact C-N 3.29Å; Y73-L75 PolarHBondContact O-N 2.86Å; Y73-D76 PolarHBondContact O-N 2.74Å; Y73-L77 HydrophobicContact CD1-CD1 3.91Å; Y73-L77 HydrophobicContact CE1-CD1 3.5Å; Y73-L77 VanDerWaalsContact CE1-CD1 3.5Å; Y73-L77 HydrophobicContact CE1-CG 4.12Å; Y73-L77 PolarHBondContact O-N 3.28Å
74M90.8Very high85.5Confident0 Ų059.5 Ų59.50%030%0.296CS..Hα-helixtrans-59.2-38.2170.7-177.1-166.377.100111.9V35 P37 L40 F41 L44 L50 I58 R70 T71 S72 L77 L78 L89V35-M74 HydrophobicContact CG1-CE 4.45Å; P37-M74 HydrophobicContact CB-SD 3.67Å; P37-M74 HydrophobicContact CG-SD 4.12Å; L40-M74 HydrophobicContact CD1-CE 4.33Å; F41-M74 HydrophobicContact CD1-SD 4.33Å; F41-M74 HydrophobicContact CE1-CG 4.24Å; F41-M74 HydrophobicContact CE1-SD 3.84Å; L44-M74 HydrophobicContact CD1-SD 4.32Å; L50-M74 HydrophobicContact CD1-CG 4.13Å; I58-M74 HydrophobicContact CD1-CB 3.94Å; I58-M74 HydrophobicContact CD1-CG 3.99Å; I58-M74 HydrophobicContact CG1-CB 4.5Å; I58-M74 HydrophobicContact CG2-CB 4.45Å; R70-M74 WeakPolarHBondContact O-CB 3.42Å; R70-M74 PolarHBondContact O-N 2.86Å; T71-M74 HydrophobicContact CG2-CE 4.17Å; T71-M74 WeakPolarHBondContact O-CB 3.37Å; T71-M74 PolarHBondContact O-N 3.46Å; S72-M74 PolarHBondContact O-N 3.48Å; M74-L77 PolarHBondContact O-N 3.08Å; M74-L78 HydrophobicContact CE-CD1 4.21Å; M74-L78 HydrophobicContact CG-CD1 4.1Å; M74-L78 WeakPolarHBondContact O-CB 3.38Å; M74-L78 VanDerWaalsContact O-CG 3.22Å; M74-L78 WeakPolarHBondContact O-CG 3.35Å; M74-L78 PolarHBondContact O-N 2.93Å; M74-L89 HydrophobicContact CE-CD1 4.36Å
75L89.9Confident85.8Confident1 Ų158.7 Ų58.71%0.00529%0.292CS..Hα-helixtrans-67.8-34.4176.1-66.2172.1000112.4I24 R28 I31 T71 S72 Y73 L78 R79 L89I24-L75 HydrophobicContact CG2-CD2 4.45Å; R28-L75 HydrophobicContact CG-CD1 3.92Å; I31-L75 HydrophobicContact CB-CD1 4.43Å; I31-L75 HydrophobicContact CG2-CD1 3.95Å; I31-L75 HydrophobicContact CG2-CD2 4.15Å; T71-L75 WeakPolarHBondContact O-CG 3.46Å; T71-L75 PolarHBondContact O-N 3.06Å; S72-L75 WeakPolarHBondContact O-CB 3.4Å; S72-L75 PolarHBondContact O-N 2.85Å; S72-L75 VanDerWaalsContact O-N 3.1Å; Y73-L75 VanDerWaalsContact C-N 3.29Å; Y73-L75 PolarHBondContact O-N 2.86Å; L75-L78 PolarHBondContact O-N 3.29Å; L75-R79 WeakPolarHBondContact O-CB 3.42Å; L75-R79 PolarHBondContact O-N 3.41Å; L75-L89 HydrophobicContact CD2-CD1 3.94Å; L75-L89 HydrophobicContact CD2-CD2 3.32Å; L75-L89 HydrophobicContact CD2-CG 4.29Å
76D89.8Confident86.4Confident64 Ų6453.9 Ų53.934%0.34226%0.262SS..Hα-helixtrans-70.5-38.6174.8-64.1-41000112.2R28 S72 Y73 R79 T80R28-D76 IonicContact CZ-OD1 2.73Å; R28-D76 VanDerWaalsContact CZ-OD1 3.24Å; R28-D76 IonicContact CZ-OD2 3.24Å; R28-D76 IonicContact NH1-OD1 3.77Å; R28-D76 PolarHBondContact NH1-OD1 3.31Å; R28-D76 IonicContact NH2-OD1 2.76Å; R28-D76 PolarHBondContact NH2-OD1 2.76Å; R28-D76 IonicContact NH2-OD2 2.96Å; R28-D76 PolarHBondContact NH2-OD2 3.41Å; S72-D76 PolarHBondContact O-N 3.02Å; S72-D76 VanDerWaalsContact O-N 3.13Å; Y73-D76 PolarHBondContact O-N 2.74Å; D76-R79 WeakPolarHBondContact O-CB 3.18Å; D76-R79 PolarHBondContact O-N 3.18Å; D76-T80 PolarHBondContact O-N 2.97Å
77L87.8Confident86.6Confident30 Ų3050.3 Ų50.316%0.15724%0.243CC..Hα-helixtrans-65.1-39.4171.4-76.1169.8000112.2I58 Y73 M74 R79 T80I58-L77 HydrophobicContact CD1-CD1 3.74Å; I58-L77 HydrophobicContact CG1-CD1 3.61Å; Y73-L77 HydrophobicContact CD1-CD1 3.91Å; Y73-L77 HydrophobicContact CE1-CD1 3.5Å; Y73-L77 VanDerWaalsContact CE1-CD1 3.5Å; Y73-L77 HydrophobicContact CE1-CG 4.12Å; Y73-L77 PolarHBondContact O-N 3.28Å; M74-L77 PolarHBondContact O-N 3.08Å; L77-R79 VanDerWaalsContact C-N 3.26Å; L77-R79 PolarHBondContact O-N 3.27Å; L77-T80 PolarHBondContact O-N 3.33Å; L77-T80 PolarHBondContact O-OG1 2.66Å
78L87.9Confident86.7Confident0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-66.7-29.2173.6-70.5169.9000111.8W21 L44 V49 L50 M74 L75 T80 Q81 G85 L89W21-L78 HydrophobicContact CH2-CB 3.89Å; W21-L78 HydrophobicContact CZ2-CB 4.41Å; W21-L78 WeakPolarHBondContact CZ2-O 3.3Å; L44-L78 HydrophobicContact CD1-CD1 4.13Å; L44-L78 HydrophobicContact CD1-CD2 4.27Å; L44-L78 HydrophobicContact CD2-CD2 4.09Å; V49-L78 HydrophobicContact CG1-CD2 3.54Å; L50-L78 HydrophobicContact CD1-CD2 4.04Å; L50-L78 HydrophobicContact CD1-CG 4.33Å; M74-L78 HydrophobicContact CE-CD1 4.21Å; M74-L78 HydrophobicContact CG-CD1 4.1Å; M74-L78 WeakPolarHBondContact O-CB 3.38Å; M74-L78 VanDerWaalsContact O-CG 3.22Å; M74-L78 WeakPolarHBondContact O-CG 3.35Å; M74-L78 PolarHBondContact O-N 2.93Å; L75-L78 PolarHBondContact O-N 3.29Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-T80 PolarHBondContact O-N 3.02Å; L78-Q81 WeakPolarHBondContact O-CB 3.46Å; L78-Q81 PolarHBondContact O-N 2.87Å; L78-Q81 VanDerWaalsContact O-N 3.14Å; L78-G85 WeakPolarHBondContact O-CA 3.28Å; L78-L89 HydrophobicContact CD1-CB 4.31Å; L78-L89 HydrophobicContact CD1-CD1 3.98Å
79R87.2Confident86.9Confident135 Ų13543.1 Ų43.151%0.50921%0.21SC..Hα-helixtrans-67.9-28.4176.8-167.9177.9-178.8175.53.3113.5W21 L75 D76 L77 Q81 G82W21-R79 HydrophobicContact CD2-CB 4.48Å; W21-R79 HydrophobicContact CD2-CG 4.11Å; W21-R79 HydrophobicContact CE3-CB 4.45Å; W21-R79 HydrophobicContact CE3-CG 4.36Å; W21-R79 HydrophobicContact CH2-CB 4.06Å; W21-R79 VanDerWaalsContact CZ2-CA 3.44Å; W21-R79 HydrophobicContact CZ2-CB 4.09Å; W21-R79 HydrophobicContact CZ2-CG 4.48Å; W21-R79 HydrophobicContact CZ3-CB 4.23Å; L75-R79 WeakPolarHBondContact O-CB 3.42Å; L75-R79 PolarHBondContact O-N 3.41Å; D76-R79 WeakPolarHBondContact O-CB 3.18Å; D76-R79 PolarHBondContact O-N 3.18Å; L77-R79 VanDerWaalsContact C-N 3.26Å; L77-R79 PolarHBondContact O-N 3.27Å; R79-Q81 PolarHBondContact O-N 2.81Å; R79-G82 PolarHBondContact O-N 3.46Å
80T85.5Confident86.9Confident110 Ų11038.8 Ų38.868%0.67519%0.189SC*.THydrogen-bonded Turntrans-72.1-14.2173.566.50000112.9D76 L77 L78 G82D76-T80 PolarHBondContact O-N 2.97Å; L77-T80 PolarHBondContact O-N 3.33Å; L77-T80 PolarHBondContact O-OG1 2.66Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-T80 PolarHBondContact O-N 3.02Å; T80-G82 VanDerWaalsContact C-N 3.31Å
81Q82.9Confident86.7Confident85 Ų8538 Ų3840%0.39719%0.188SC..THydrogen-bonded Turntrans-918.4173.6-50.8-67.8-15.400112.9V49 L78 R79 N84 G85V49-Q81 HydrophobicContact CG1-CB 4Å; V49-Q81 HydrophobicContact CG1-CG 4.07Å; V49-Q81 WeakPolarHBondContact O-CG 3.31Å; L78-Q81 WeakPolarHBondContact O-CB 3.46Å; L78-Q81 PolarHBondContact O-N 2.87Å; L78-Q81 VanDerWaalsContact O-N 3.14Å; R79-Q81 PolarHBondContact O-N 2.81Å; Q81-N84 PolarHBondContact O-N 2.83Å; Q81-G85 PolarHBondContact O-N 2.66Å
82G84.3Confident86.6Confident10 Ų1038 Ų3810%0.10319%0.188CC..Hα-helixtrans54-137.3174.400000114.6E17 W21 R79 T80 N84 G85 A86E17-G82 VanDerWaalsContact CD-CA 3.43Å; E17-G82 WeakPolarHBondContact OE1-CA 3.44Å; W21-G82 PolarHBondContact NE1-O 2.86Å; R79-G82 PolarHBondContact O-N 3.46Å; T80-G82 VanDerWaalsContact C-N 3.31Å; G82-N84 VanDerWaalsContact C-N 3.26Å; G82-N84 PolarHBondContact O-N 2.99Å; G82-G85 WeakPolarHBondContact O-CA 3.44Å; G82-G85 PolarHBondContact O-N 2.97Å; G82-G85 VanDerWaalsContact O-N 3.08Å; G82-A86 PolarHBondContact O-N 3.31Å; G82-A86 VanDerWaalsContact O-N 3.13Å
83R83.9Confident86.5Confident78 Ų7836.6 Ų36.629%0.29418%0.179SC..Hα-helixtrans-57.8-35.2-178.9-172.9179.7-176115.8-0113K13 L15 E17 L20 A86 I87K13-R83 PolarHBondContact O-NH2 3.19Å; L15-R83 PolarHBondContact O-NH1 2.69Å; L15-R83 PolarHBondContact O-NH2 2.75Å; E17-R83 HydrophobicContact CB-CB 4.13Å; E17-R83 HydrophobicContact CG-CB 4.05Å; E17-R83 VanDerWaalsContact OE2-CB 3.3Å; E17-R83 WeakPolarHBondContact OE2-CB 3.24Å; E17-R83 PolarHBondContact OE2-N 2.86Å; L20-R83 HydrophobicContact CD1-CG 4.16Å; R83-A86 PolarHBondContact O-N 3.39Å; R83-I87 HydrophobicContact CG-CD1 3.9Å; R83-I87 WeakPolarHBondContact O-CG1 3.49Å; R83-I87 PolarHBondContact O-N 3.25Å
84N84.4Confident86.2Confident115 Ų11536.7 Ų36.762%0.61518%0.181SC*.Hα-helixtrans-68.3-38.3177.6-66.3-23.5000111.1Q81 G82 A88Q81-N84 PolarHBondContact O-N 2.83Å; G82-N84 VanDerWaalsContact C-N 3.26Å; G82-N84 PolarHBondContact O-N 2.99Å; N84-A88 VanDerWaalsContact O-CB 3.29Å; N84-A88 WeakPolarHBondContact O-CB 3.28Å; N84-A88 PolarHBondContact O-N 3.38Å
85G86.4Confident85.8Confident0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-57.9-48.3170.700000113.2L78 Q81 G82 L89L78-G85 WeakPolarHBondContact O-CA 3.28Å; Q81-G85 PolarHBondContact O-N 2.66Å; G82-G85 WeakPolarHBondContact O-CA 3.44Å; G82-G85 PolarHBondContact O-N 2.97Å; G82-G85 VanDerWaalsContact O-N 3.08Å; G85-L89 WeakPolarHBondContact O-CB 3.26Å; G85-L89 PolarHBondContact O-N 2.96Å
86A85.3Confident85.4Confident0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-63.3-47.5178.400000112.6L20 W21 I24 G82 R83 L89 L90L20-A86 HydrophobicContact CB-CB 3.94Å; W21-A86 HydrophobicContact CD2-CB 4.29Å; W21-A86 HydrophobicContact CZ2-CB 4Å; I24-A86 HydrophobicContact CD1-CB 3.61Å; G82-A86 PolarHBondContact O-N 3.31Å; G82-A86 VanDerWaalsContact O-N 3.13Å; R83-A86 PolarHBondContact O-N 3.39Å; A86-L89 PolarHBondContact O-N 3.35Å; A86-L90 WeakPolarHBondContact O-CG 3.32Å; A86-L90 PolarHBondContact O-N 3.21Å
87I84.6Confident85.3Confident34 Ų3443.5 Ų43.517%0.17421%0.211CC..Hα-helixtrans-66.1-47-178.3-67.3171.4000110.8L20 R83 L89 L90 E91L20-I87 HydrophobicContact CD1-CG1 4.17Å; R83-I87 HydrophobicContact CG-CD1 3.9Å; R83-I87 WeakPolarHBondContact O-CG1 3.49Å; R83-I87 PolarHBondContact O-N 3.25Å; I87-L89 VanDerWaalsContact C-N 3.3Å; I87-L89 PolarHBondContact O-N 2.95Å; I87-L90 PolarHBondContact O-N 3.32Å; I87-L90 VanDerWaalsContact O-N 3.14Å; I87-E91 HydrophobicContact CG2-CG 4.2Å; I87-E91 PolarHBondContact O-N 3.46Å
88A85.3Confident84.9Confident2 Ų244.6 Ų44.62%0.01722%0.22CC..Hα-helixtrans-66.1-31.3179.700000112.8Y43 L44 V47 V49 N84 G92Y43-A88 WeakPolarHBondContact CE1-O 3.44Å; L44-A88 HydrophobicContact CD2-CB 3.95Å; V47-A88 HydrophobicContact CG1-CB 4.13Å; V49-A88 HydrophobicContact CB-CB 4.3Å; V49-A88 HydrophobicContact CG1-CB 4.35Å; V49-A88 HydrophobicContact CG2-CB 3.78Å; N84-A88 VanDerWaalsContact O-CB 3.29Å; N84-A88 WeakPolarHBondContact O-CB 3.28Å; N84-A88 PolarHBondContact O-N 3.38Å; A88-G92 PolarHBondContact O-N 2.96Å
89L88.1Confident84.6Confident0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-64-48.9169.417968.7000111.4I24 L40 M74 L75 L78 G85 A86 I87 G92 L93I24-L89 HydrophobicContact CD1-CD2 4.05Å; I24-L89 HydrophobicContact CG1-CD2 4.28Å; I24-L89 HydrophobicContact CG2-CD2 3.78Å; L40-L89 HydrophobicContact CD1-CD1 4.01Å; M74-L89 HydrophobicContact CE-CD1 4.36Å; L75-L89 HydrophobicContact CD2-CD1 3.94Å; L75-L89 HydrophobicContact CD2-CD2 3.32Å; L75-L89 HydrophobicContact CD2-CG 4.29Å; L78-L89 HydrophobicContact CD1-CB 4.31Å; L78-L89 HydrophobicContact CD1-CD1 3.98Å; G85-L89 WeakPolarHBondContact O-CB 3.26Å; G85-L89 PolarHBondContact O-N 2.96Å; A86-L89 PolarHBondContact O-N 3.35Å; I87-L89 VanDerWaalsContact C-N 3.3Å; I87-L89 PolarHBondContact O-N 2.95Å; L89-G92 PolarHBondContact O-N 3.16Å; L89-L93 HydrophobicContact CD1-CD1 4.47Å; L89-L93 HydrophobicContact CD1-CG 4.48Å; L89-L93 HydrophobicContact CG-CD1 4.17Å; L89-L93 WeakPolarHBondContact O-CB 3.43Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.92Å
90L86.7Confident84.4Confident5 Ų544.5 Ų44.53%0.02623%0.233CC..Hα-helixtrans-67.3-40.4-178.2-69.7174.7000112.2L20 I24 A86 I87 L93 M94 Y101 V104 T105L20-L90 HydrophobicContact CD2-CD1 3.95Å; I24-L90 HydrophobicContact CD1-CD1 4.46Å; I24-L90 HydrophobicContact CD1-CG 4.33Å; I24-L90 HydrophobicContact CG1-CD2 4.29Å; I24-L90 HydrophobicContact CG1-CG 4.48Å; A86-L90 WeakPolarHBondContact O-CG 3.32Å; A86-L90 PolarHBondContact O-N 3.21Å; I87-L90 PolarHBondContact O-N 3.32Å; I87-L90 VanDerWaalsContact O-N 3.14Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 PolarHBondContact O-N 2.8Å; L90-M94 WeakPolarHBondContact O-CB 3.41Å; L90-M94 PolarHBondContact O-N 3.5Å; L90-Y101 HydrophobicContact CB-CE2 4.48Å; L90-Y101 VanDerWaalsContact O-CD2 3.26Å; L90-Y101 WeakPolarHBondContact O-CD2 3.25Å; L90-Y101 WeakPolarHBondContact O-CE2 3.07Å; L90-V104 HydrophobicContact CD2-CG1 4.25Å; L90-T105 HydrophobicContact CD2-CG2 3.86Å
91E84.5Confident84.4Confident53 Ų5340 Ų4025%0.24820%0.204CC..Hα-helixtrans-66-41.7173.5-68.6-177.316000110.7K13 Y43 I87 L93 M94 I95K13-E91 IonicContact NZ-OE1 3.49Å; K13-E91 PolarHBondContact NZ-OE1 2.78Å; Y43-E91 HydrophobicContact CE1-CB 4.15Å; Y43-E91 WeakPolarHBondContact OH-CB 3.47Å; Y43-E91 PolarHBondContact OH-OE2 3.25Å; I87-E91 HydrophobicContact CG2-CG 4.2Å; I87-E91 PolarHBondContact O-N 3.46Å; E91-L93 PolarHBondContact O-N 3.26Å; E91-M94 WeakPolarHBondContact O-CB 3.29Å; E91-M94 PolarHBondContact O-N 3.34Å; E91-M94 VanDerWaalsContact O-N 3.13Å; E91-I95 WeakPolarHBondContact O-CD1 3.28Å; E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.24Å; E91-I95 PolarHBondContact O-N 3.39Å
92G84.7Confident84.5Confident0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-63.6-36.6173.700000113.8L40 A88 L89 H96L40-G92 WeakPolarHBondContact CD2-O 3.39Å; A88-G92 PolarHBondContact O-N 2.96Å; L89-G92 PolarHBondContact O-N 3.16Å; G92-H96 PolarHBondContact O-N 2.79Å
93L86.8Confident84.3Confident1 Ų142.2 Ų42.21%0.00522%0.215CC..Hα-helixtrans-66.3-39.9170.3-75174.1000111.8V35 L89 L90 E91 I95 Y97 Y101V35-L93 HydrophobicContact CG2-CD2 3.48Å; V35-L93 VanDerWaalsContact CG2-CD2 3.48Å; L89-L93 HydrophobicContact CD1-CD1 4.47Å; L89-L93 HydrophobicContact CD1-CG 4.48Å; L89-L93 HydrophobicContact CG-CD1 4.17Å; L89-L93 WeakPolarHBondContact O-CB 3.43Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.92Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 PolarHBondContact O-N 2.8Å; E91-L93 PolarHBondContact O-N 3.26Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 PolarHBondContact O-N 2.91Å; L93-Y97 HydrophobicContact CD2-CD2 4.05Å; L93-Y97 HydrophobicContact CD2-CG 4.33Å; L93-Y97 CarbonylContact O-C 3.59Å; L93-Y97 WeakPolarHBondContact O-CA 3.24Å; L93-Y97 PolarHBondContact O-N 3.43Å; L93-Y101 HydrophobicContact CB-CD2 4.36Å
94M84.4Confident84.2Confident47 Ų4738.9 Ų38.923%0.23220%0.203CC..Hα-helixtrans-61.2-41.2177-168.6175.663.600111.5L90 E91 Y101 P109L90-M94 WeakPolarHBondContact O-CB 3.41Å; L90-M94 PolarHBondContact O-N 3.5Å; E91-M94 WeakPolarHBondContact O-CB 3.29Å; E91-M94 PolarHBondContact O-N 3.34Å; E91-M94 VanDerWaalsContact O-N 3.13Å; M94-Y101 HydrophobicContact CB-CD1 4.13Å; M94-Y101 HydrophobicContact CB-CD2 3.68Å; M94-Y101 HydrophobicContact CB-CE1 4.25Å; M94-Y101 HydrophobicContact CB-CE2 3.81Å; M94-Y101 HydrophobicContact CB-CG 3.84Å; M94-Y101 HydrophobicContact CG-CD1 3.92Å; M94-Y101 HydrophobicContact CG-CD2 4.31Å; M94-Y101 HydrophobicContact CG-CE1 3.82Å; M94-Y101 HydrophobicContact CG-CE2 4.22Å; M94-Y101 HydrophobicContact CG-CG 4.16Å; M94-Y101 HydrophobicContact SD-CE1 4.01Å; M94-Y101 HydrophobicContact SD-CE2 4.42Å; M94-P109 HydrophobicContact CG-CB 3.6Å; M94-P109 HydrophobicContact SD-CB 4.45Å
95I81Confident84Confident90 Ų9034.4 Ų34.446%0.46218%0.18SC..Hα-helixtrans-73.7-54.2-179-64.2161.6000111.7Y43 E91 L93Y43-I95 HydrophobicContact CD2-CD1 3.95Å; Y43-I95 HydrophobicContact CE1-CD1 4.35Å; Y43-I95 HydrophobicContact CE2-CD1 3.5Å; E91-I95 WeakPolarHBondContact O-CD1 3.28Å; E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.24Å; E91-I95 PolarHBondContact O-N 3.39Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 PolarHBondContact O-N 2.91Å
96H82.4Confident83.4Confident81 Ų8137.6 Ų37.638%0.37521%0.213SC..Hα-helixtrans-98.1-17.5-169.2-63.9-70.6000114.6I39 L40 G92I39-H96 HydrophobicContact CG2-CB 3.86Å; L40-H96 HydrophobicContact CD2-CB 3.99Å; G92-H96 PolarHBondContact O-N 2.79Å
97Y86.4Confident82.8Confident37 Ų3741.5 Ų41.515%0.14523%0.228CC..  trans-138.752.2-175.7-64.4-78.4000112.7V35 R36 I39 L40 L93 V99 L100 Y101V35-Y97 HydrophobicContact CB-CE2 4.43Å; V35-Y97 HydrophobicContact CG1-CE2 3.97Å; V35-Y97 HydrophobicContact CG2-CD2 4.36Å; V35-Y97 HydrophobicContact CG2-CE2 4.42Å; R36-Y97 WeakPolarHBondContact CB-OH 3.22Å; R36-Y97 PolarHBondContact N-OH 3.36Å; I39-Y97 HydrophobicContact CB-CE2 4.45Å; I39-Y97 HydrophobicContact CG2-CE2 4.13Å; L40-Y97 HydrophobicContact CD2-CD2 4.06Å; L40-Y97 HydrophobicContact CD2-CE2 3.96Å; L40-Y97 HydrophobicContact CG-CE2 4.22Å; L93-Y97 HydrophobicContact CD2-CD2 4.05Å; L93-Y97 HydrophobicContact CD2-CG 4.33Å; L93-Y97 CarbonylContact O-C 3.59Å; L93-Y97 WeakPolarHBondContact O-CA 3.24Å; L93-Y97 PolarHBondContact O-N 3.43Å; Y97-V99 PolarHBondContact O-N 3Å; Y97-L100 HydrophobicContact CD1-CD1 3.92Å; Y97-L100 HydrophobicContact CG-CD1 4.17Å; Y97-L100 WeakPolarHBondContact O-CA 3.41Å; Y97-L100 PolarHBondContact O-N 2.8Å; Y97-Y101 PolarHBondContact O-N 3.37Å
98P81.1Confident82.2Confident54 Ų5448.5 Ų48.535%0.35126%0.257SS..Hα-helixtrans-53.9-32.7-170.718.2-32.5000114.5T102 P109P98-T102 WeakPolarHBondContact O-CB 3.18Å; P98-T102 PolarHBondContact O-N 2.8Å; P98-T102 PolarHBondContact O-OG1 3.17Å; P98-P109 HydrophobicContact CB-CB 4.14Å; P98-P109 HydrophobicContact CB-CG 3.79Å
99V80.7Confident81.5Confident100 Ų10050.4 Ų50.461%0.60627%0.269SS*.Hα-helixtrans-68.8-40.7175.3-178.90000111.9Y97 Q103Y97-V99 PolarHBondContact O-N 3Å; V99-Q103 WeakPolarHBondContact O-CB 3.37Å; V99-Q103 VanDerWaalsContact O-CG 3.25Å; V99-Q103 WeakPolarHBondContact O-CG 3.44Å; V99-Q103 PolarHBondContact O-N 2.72Å; V99-Q103 VanDerWaalsContact O-N 3.1Å
100L83.8Confident80.2Confident33 Ų3354 Ų5417%0.17329%0.294CS..Hα-helixtrans-71.4-40.9174.2-63.3176.9000110.9V35 Y97 T102 Q103 V104V35-L100 HydrophobicContact CG2-CD1 4.26Å; Y97-L100 HydrophobicContact CD1-CD1 3.92Å; Y97-L100 HydrophobicContact CG-CD1 4.17Å; Y97-L100 WeakPolarHBondContact O-CA 3.41Å; Y97-L100 PolarHBondContact O-N 2.8Å; L100-T102 VanDerWaalsContact C-N 3.33Å; L100-T102 PolarHBondContact O-N 2.86Å; L100-Q103 CarbonylContact O-C 3.54Å; L100-Q103 WeakPolarHBondContact O-CA 3.48Å; L100-Q103 WeakPolarHBondContact O-CB 3.39Å; L100-Q103 PolarHBondContact O-N 2.88Å; L100-V104 WeakPolarHBondContact O-CB 3.3Å; L100-V104 VanDerWaalsContact O-CG2 3.24Å; L100-V104 WeakPolarHBondContact O-CG2 3.23Å; L100-V104 PolarHBondContact O-N 3.19Å
101Y85.4Confident78.6Confident16 Ų1660.2 Ų60.26%0.06333%0.333CS..Hα-helixtrans-55.6-47.1174.1173.7-96.3000112.2L12 L90 L93 M94 Y97 Q103 V104 T105 R107 P109L12-Y101 HydrophobicContact CD1-CE2 4.29Å; L12-Y101 VanDerWaalsContact CD1-OH 3.27Å; L12-Y101 WeakPolarHBondContact CD1-OH 3.4Å; L90-Y101 HydrophobicContact CB-CE2 4.48Å; L90-Y101 VanDerWaalsContact O-CD2 3.26Å; L90-Y101 WeakPolarHBondContact O-CD2 3.25Å; L90-Y101 WeakPolarHBondContact O-CE2 3.07Å; L93-Y101 HydrophobicContact CB-CD2 4.36Å; M94-Y101 HydrophobicContact CB-CD1 4.13Å; M94-Y101 HydrophobicContact CB-CD2 3.68Å; M94-Y101 HydrophobicContact CB-CE1 4.25Å; M94-Y101 HydrophobicContact CB-CE2 3.81Å; M94-Y101 HydrophobicContact CB-CG 3.84Å; M94-Y101 HydrophobicContact CG-CD1 3.92Å; M94-Y101 HydrophobicContact CG-CD2 4.31Å; M94-Y101 HydrophobicContact CG-CE1 3.82Å; M94-Y101 HydrophobicContact CG-CE2 4.22Å; M94-Y101 HydrophobicContact CG-CG 4.16Å; M94-Y101 HydrophobicContact SD-CE1 4.01Å; M94-Y101 HydrophobicContact SD-CE2 4.42Å; Y97-Y101 PolarHBondContact O-N 3.37Å; Y101-Q103 VanDerWaalsContact C-N 3.28Å; Y101-Q103 PolarHBondContact O-N 2.83Å; Y101-V104 PolarHBondContact O-N 2.96Å; Y101-T105 HydrophobicContact CD2-CG2 3.99Å; Y101-T105 HydrophobicContact CE2-CG2 3.75Å; Y101-T105 PolarHBondContact O-N 2.75Å; Y101-T105 PolarHBondContact O-OG1 3.24Å; Y101-R107 HydrophobicContact CE1-CB 4.37Å; Y101-R107 WeakPolarHBondContact CE1-O 3.28Å; Y101-P109 HydrophobicContact CD1-CB 4.31Å
102T83.9Confident76.9Confident49 Ų4965.5 Ų65.530%0.30136%0.357SS..Hα-helixtrans-61.9-38.3175.5-49.90000111.5P98 L100 G106 R107P98-T102 WeakPolarHBondContact O-CB 3.18Å; P98-T102 PolarHBondContact O-N 2.8Å; P98-T102 PolarHBondContact O-OG1 3.17Å; L100-T102 VanDerWaalsContact C-N 3.33Å; L100-T102 PolarHBondContact O-N 2.86Å; T102-G106 WeakPolarHBondContact O-CA 3.36Å; T102-G106 PolarHBondContact O-N 2.69Å; T102-R107 VanDerWaalsContact CA-O 3.29Å; T102-R107 WeakPolarHBondContact CA-O 3.5Å; T102-R107 PolarHBondContact OG1-O 3.47Å
103Q81.3Confident75Confident91 Ų9170.6 Ų70.643%0.42539%0.39SS..Hα-helixtrans-73.5-22.7178.5-82.8-177.631.700115R30 V99 L100 Y101R30-Q103 PolarHBondContact NH1-O 2.8Å; V99-Q103 WeakPolarHBondContact O-CB 3.37Å; V99-Q103 VanDerWaalsContact O-CG 3.25Å; V99-Q103 WeakPolarHBondContact O-CG 3.44Å; V99-Q103 PolarHBondContact O-N 2.72Å; V99-Q103 VanDerWaalsContact O-N 3.1Å; L100-Q103 CarbonylContact O-C 3.54Å; L100-Q103 WeakPolarHBondContact O-CA 3.48Å; L100-Q103 WeakPolarHBondContact O-CB 3.39Å; L100-Q103 PolarHBondContact O-N 2.88Å; Y101-Q103 VanDerWaalsContact C-N 3.28Å; Y101-Q103 PolarHBondContact O-N 2.83Å
104V80.4Confident73.1Confident9 Ų975.7 Ų75.76%0.05543%0.426CS..Hα-helixtrans-92.5-43.7179.4170.40000111.2L23 N27 I31 L90 L100 Y101L23-V104 WeakPolarHBondContact CD1-O 3.35Å; N27-V104 HydrophobicContact CB-CB 4.4Å; N27-V104 HydrophobicContact CB-CG1 4.03Å; N27-V104 HydrophobicContact CB-CG2 3.88Å; N27-V104 PolarHBondContact ND2-O 3.41Å; I31-V104 HydrophobicContact CD1-CG1 4.3Å; I31-V104 HydrophobicContact CD1-CG2 4.15Å; I31-V104 HydrophobicContact CG1-CG2 3.92Å; L90-V104 HydrophobicContact CD2-CG1 4.25Å; L100-V104 WeakPolarHBondContact O-CB 3.3Å; L100-V104 VanDerWaalsContact O-CG2 3.24Å; L100-V104 WeakPolarHBondContact O-CG2 3.23Å; L100-V104 PolarHBondContact O-N 3.19Å; Y101-V104 PolarHBondContact O-N 2.96Å
105T80.5Confident71.4Confident20 Ų2085.1 Ų85.112%0.12346%0.459CS..Hα-helixtrans-99.7-12.8-173.266.10000114.4L12 L90 Y101 R107L12-T105 HydrophobicContact CD1-CG2 4.48Å; L90-T105 HydrophobicContact CD2-CG2 3.86Å; Y101-T105 HydrophobicContact CD2-CG2 3.99Å; Y101-T105 HydrophobicContact CE2-CG2 3.75Å; Y101-T105 PolarHBondContact O-N 2.75Å; Y101-T105 PolarHBondContact O-OG1 3.24Å; T105-R107 PolarHBondContact O-N 2.76Å; T105-R107 PolarHBondContact OG1-N 3.09Å
106G73.4Confident69.7Low68 Ų6889.7 Ų89.770%0.70148%0.476SS*.SBendtrans73.3-7.5-168.900000114.7T102T102-G106 WeakPolarHBondContact O-CA 3.36Å; T102-G106 PolarHBondContact O-N 2.69Å
107R73.6Confident68.1Low81 Ų8190.1 Ų90.131%0.30649%0.488SS..SBendtrans-99.4140.7-171.9-56.2-178.2-159.7-127.72.7111.5G9 P10 Y101 T102 T105G9-R107 PolarHBondContact O-NH1 3.39Å; G9-R107 PolarHBondContact O-NH2 3.28Å; P10-R107 PolarHBondContact O-NH1 2.88Å; P10-R107 PolarHBondContact O-NH2 3.45Å; Y101-R107 HydrophobicContact CE1-CB 4.37Å; Y101-R107 WeakPolarHBondContact CE1-O 3.28Å; T102-R107 VanDerWaalsContact CA-O 3.29Å; T102-R107 WeakPolarHBondContact CA-O 3.5Å; T102-R107 PolarHBondContact OG1-O 3.47Å; T105-R107 PolarHBondContact O-N 2.76Å; T105-R107 PolarHBondContact OG1-N 3.09Å
108K71.5Confident66.6Low182 Ų18291.7 Ų91.779%0.79152%0.516SS*.PPolyproline II helixtrans-63.4143.4168.4-65.7177.4-177.3172.80109.3S110K108-S110 PolarHBondContact O-N 3.33Å
109P71Confident65.4Low41 Ų4196.6 Ų96.627%0.26654%0.538SS..PPolyproline II helixtrans-62.8131.7172.929.4-36.7000109.4M94 P98 Y101M94-P109 HydrophobicContact CG-CB 3.6Å; M94-P109 HydrophobicContact SD-CB 4.45Å; P98-P109 HydrophobicContact CB-CB 4.14Å; P98-P109 HydrophobicContact CB-CG 3.79Å; Y101-P109 HydrophobicContact CD1-CB 4.31Å
110S60.9Low64.1Low76 Ų7696.1 Ų96.153%0.53153%0.531SS..PPolyproline II helixtrans-82.1128.8174.6-175.80000110K108K108-S110 PolarHBondContact O-N 3.33Å
111T52.4Low62.8Low135 Ų135101 Ų10183%0.82855%0.551SS**  trans-10318.7-179.3-24.10000112.5P113T111-P113 WeakPolarHBondContact O-CD 3.31Å
112E49.3Very low61.4Low164 Ų164109.3 Ų109.377%0.76658%0.584SS**  trans-68.8119.4177.2-68.8-168.6153.100111.1S114E112-S114 PolarHBondContact O-N 3.47Å
113P45.7Very low60.2Low107 Ų107110.8 Ų110.870%0.69560%0.596SS**  trans-73.6101.4-178.629.2-33.7000110.2T111 R115T111-P113 WeakPolarHBondContact O-CD 3.31Å; P113-R115 PolarHBondContact O-N 3.27Å
114S46.4Very low59.6Low108 Ų108110.3 Ų110.376%0.75559%0.594SS**  trans-67.1102.8-172.9450000113.2E112 F116E112-S114 PolarHBondContact O-N 3.47Å; S114-F116 PolarHBondContact O-N 3.03Å; S114-F116 VanDerWaalsContact O-N 3.14Å
115R48.2Very low59.2Low245 Ų245113.5 Ų113.593%0.92561%0.61SS**SBendtrans67.313.7152.3-148.4-177.5-178.9-1740.8118.2P113P113-R115 PolarHBondContact O-N 3.27Å
116F45.5Very low58.9Low186 Ų186116 Ų11682%0.81663%0.625SS**  trans-110.9-9.3176.8-111.7-82.5000116.2S114 G118S114-F116 PolarHBondContact O-N 3.03Å; S114-F116 VanDerWaalsContact O-N 3.14Å; F116-G118 VanDerWaalsContact C-N 3.28Å; F116-G118 PolarHBondContact O-N 2.9Å
117S49.3Very low59Low91 Ų91119.6 Ų119.664%0.63662%0.624SS**THydrogen-bonded Turntrans-74.8-6.3-175.849.40000115.8
118G53.4Low59.3Low70 Ų70123.6 Ų123.672%0.72264%0.64SS**THydrogen-bonded Turntrans-97.2-6.2-171.300000117F116F116-G118 VanDerWaalsContact C-N 3.28Å; F116-G118 PolarHBondContact O-N 2.9Å
119L56.4Low59.8Low156 Ų156119.5 Ų119.582%0.81763%0.627SS**SBendtrans-111.6-13.5-165.5-106.573.1000116.7
120I53.4Low60.4Low91 Ų91122.5 Ų122.547%0.46764%0.639SS.*SBendtrans-132.7130.6-177.1-54.2179.3000108.5E124 L125I120-E124 HydrophobicContact CG2-CB 3.87Å; I120-L125 HydrophobicContact CB-CD1 4.46Å; I120-L125 HydrophobicContact CD1-CD1 4.25Å; I120-L125 HydrophobicContact CG2-CB 3.93Å; I120-L125 HydrophobicContact CG2-CD1 4.21Å
121K57.3Low61.5Low135 Ų135127.6 Ų127.659%0.58765%0.647SS**  trans-71.1143.7176.1-53.8-170.7-15991.70109.4S123 E124 L125K121-S123 PolarHBondContact O-N 3.45Å; K121-E124 HydrophobicContact CB-CG 4.37Å; K121-E124 PolarHBondContact N-OE2 3.12Å; K121-E124 VanDerWaalsContact N-OE2 3.1Å; K121-E124 IonicContact NZ-OE1 3.77Å; K121-E124 PolarHBondContact NZ-OE1 3.29Å; K121-E124 PolarHBondContact O-N 2.93Å; K121-L125 PolarHBondContact O-N 3.3Å
122Y54.8Low63.1Low191 Ų191123 Ų12375%0.74962%0.623SS**Hα-helixtrans-52.4-31.4-179.2-74.5-83000113.9T126Y122-T126 VanDerWaalsContact O-CB 3.3Å; Y122-T126 WeakPolarHBondContact O-CB 3.33Å; Y122-T126 PolarHBondContact O-N 3.11Å; Y122-T126 PolarHBondContact O-OG1 3.31Å
123S60.1Low65Low79 Ų79119.2 Ų119.255%0.55261%0.611SS**Hα-helixtrans-63.4-50.8173.150.70000113.1K121 T126 E127K121-S123 PolarHBondContact O-N 3.45Å; S123-T126 PolarHBondContact O-N 3.03Å; S123-E127 PolarHBondContact O-N 2.94Å
124E67.1Low67Low82 Ų82117.6 Ų117.638%0.38360%0.599SS.*Hα-helixtrans-65.4-40-179-64.4152.8-169.900110.7I120 K121 Y128I120-E124 HydrophobicContact CG2-CB 3.87Å; K121-E124 HydrophobicContact CB-CG 4.37Å; K121-E124 PolarHBondContact N-OE2 3.12Å; K121-E124 VanDerWaalsContact N-OE2 3.1Å; K121-E124 IonicContact NZ-OE1 3.77Å; K121-E124 PolarHBondContact NZ-OE1 3.29Å; K121-E124 PolarHBondContact O-N 2.93Å; E124-Y128 WeakPolarHBondContact O-CB 3.26Å; E124-Y128 PolarHBondContact O-N 2.91Å
125L73Confident69.2Low76 Ų76113.6 Ų113.640%0.39858%0.575SS.*Hα-helixtrans-62-44.5173.2-166.590.6000111.4I120 K121 Y128 L129I120-L125 HydrophobicContact CB-CD1 4.46Å; I120-L125 HydrophobicContact CD1-CD1 4.25Å; I120-L125 HydrophobicContact CG2-CB 3.93Å; I120-L125 HydrophobicContact CG2-CD1 4.21Å; K121-L125 PolarHBondContact O-N 3.3Å; L125-Y128 PolarHBondContact O-N 2.83Å; L125-L129 HydrophobicContact CD2-CD1 4.08Å; L125-L129 HydrophobicContact CG-CD1 4.04Å; L125-L129 WeakPolarHBondContact O-CB 3.15Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.38Å
126T73.3Confident71.2Confident71 Ų71108 Ų10844%0.43656%0.561SS.*Hα-helixtrans-67.1-41.9-178.7-58.20000111.4Y122 S123 L129 I130Y122-T126 VanDerWaalsContact O-CB 3.3Å; Y122-T126 WeakPolarHBondContact O-CB 3.33Å; Y122-T126 PolarHBondContact O-N 3.11Å; Y122-T126 PolarHBondContact O-OG1 3.31Å; S123-T126 PolarHBondContact O-N 3.03Å; T126-L129 PolarHBondContact O-N 3.01Å; T126-I130 HydrophobicContact CG2-CD1 3.88Å; T126-I130 HydrophobicContact CG2-CG1 4.48Å; T126-I130 WeakPolarHBondContact O-CB 3.43Å; T126-I130 VanDerWaalsContact O-CG1 3.26Å; T126-I130 WeakPolarHBondContact O-CG1 3.47Å; T126-I130 PolarHBondContact O-N 3.39Å
127E76.9Confident73.3Confident145 Ų145105.2 Ų105.268%0.67855%0.55SS*.Hα-helixtrans-63.3-45.1175.4-170.8-178.3162.900111.6S123 L129 I130 R131S123-E127 PolarHBondContact O-N 2.94Å; E127-L129 PolarHBondContact O-N 2.8Å; E127-I130 PolarHBondContact O-N 2.8Å; E127-R131 PolarHBondContact O-N 2.98Å
128Y79.6Confident75.3Confident164 Ų164104.9 Ų104.964%0.64354%0.544SS*.Hα-helixtrans-63.2-41.2177.1-163.6-85.5000112E124 L125 R131 A132E124-Y128 WeakPolarHBondContact O-CB 3.26Å; E124-Y128 PolarHBondContact O-N 2.91Å; L125-Y128 PolarHBondContact O-N 2.83Å; Y128-R131 PolarHBondContact O-N 2.88Å; Y128-A132 WeakPolarHBondContact O-CB 3.32Å; Y128-A132 PolarHBondContact O-N 3.03Å
129L81.9Confident77.1Confident97 Ų97107.5 Ų107.551%0.50854%0.538SS..Hα-helixtrans-63.6-43.6174.3-76.1168.1000112L125 T126 E127 R131 A132 V133L125-L129 HydrophobicContact CD2-CD1 4.08Å; L125-L129 HydrophobicContact CG-CD1 4.04Å; L125-L129 WeakPolarHBondContact O-CB 3.15Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.38Å; T126-L129 PolarHBondContact O-N 3.01Å; E127-L129 PolarHBondContact O-N 2.8Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.82Å; L129-A132 PolarHBondContact O-N 3.4Å; L129-V133 WeakPolarHBondContact O-CB 3.21Å; L129-V133 VanDerWaalsContact O-CG2 3.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.39Å; L129-V133 PolarHBondContact O-N 2.98Å
130I83.4Confident78.8Confident104 Ų104104.2 Ų104.253%0.53352%0.521SS..Hα-helixtrans-62-41.8175.6-71.4166.6000110.7T126 E127 T134T126-I130 HydrophobicContact CG2-CD1 3.88Å; T126-I130 HydrophobicContact CG2-CG1 4.48Å; T126-I130 WeakPolarHBondContact O-CB 3.43Å; T126-I130 VanDerWaalsContact O-CG1 3.26Å; T126-I130 WeakPolarHBondContact O-CG1 3.47Å; T126-I130 PolarHBondContact O-N 3.39Å; E127-I130 PolarHBondContact O-N 2.8Å; I130-T134 WeakPolarHBondContact O-CB 3.5Å; I130-T134 WeakPolarHBondContact O-CG2 3.48Å; I130-T134 PolarHBondContact O-N 2.94Å; I130-T134 PolarHBondContact O-OG1 2.86Å
131R84.2Confident80.7Confident182 Ų182104 Ų10469%0.68752%0.518SS*.Hα-helixtrans-69-37.4178.4-154.9-179.486.8170.97.1112.6E127 Y128 L129 T134 G135E127-R131 PolarHBondContact O-N 2.98Å; Y128-R131 PolarHBondContact O-N 2.88Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.82Å; R131-T134 WeakPolarHBondContact CA-OG1 3.33Å; R131-T134 PolarHBondContact O-OG1 3.24Å; R131-G135 PolarHBondContact O-N 3.22Å; R131-G135 VanDerWaalsContact O-N 3.09Å
132A85.8Confident82.4Confident40 Ų40103.8 Ų103.833%0.33152%0.519SS..Hα-helixtrans-68-47.1174.900000111.6Y128 L129 T134 G135 M136Y128-A132 WeakPolarHBondContact O-CB 3.32Å; Y128-A132 PolarHBondContact O-N 3.03Å; L129-A132 PolarHBondContact O-N 3.4Å; A132-T134 PolarHBondContact O-N 3.2Å; A132-G135 PolarHBondContact O-N 3.01Å; A132-M136 WeakPolarHBondContact O-CB 3.34Å; A132-M136 VanDerWaalsContact O-CG 3.3Å; A132-M136 WeakPolarHBondContact O-CG 3.3Å; A132-M136 PolarHBondContact O-N 3.36Å
133V89.2Confident84.1Confident84 Ų8497.5 Ų97.551%0.50951%0.506SS..Hα-helixtrans-63.9-41.9178.9169.70000111.5L129 Q137L129-V133 WeakPolarHBondContact O-CB 3.21Å; L129-V133 VanDerWaalsContact O-CG2 3.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.39Å; L129-V133 PolarHBondContact O-N 2.98Å; V133-Q137 WeakPolarHBondContact O-CB 3.49Å; V133-Q137 PolarHBondContact O-N 3.23Å
134T88.2Confident85.7Confident73 Ų73100.6 Ų100.645%0.44851%0.506SS..Hα-helixtrans-67.5-41.2176.947.70000112.2I130 R131 A132 Q137 T138I130-T134 WeakPolarHBondContact O-CB 3.5Å; I130-T134 WeakPolarHBondContact O-CG2 3.48Å; I130-T134 PolarHBondContact O-N 2.94Å; I130-T134 PolarHBondContact O-OG1 2.86Å; R131-T134 WeakPolarHBondContact CA-OG1 3.33Å; R131-T134 PolarHBondContact O-OG1 3.24Å; A132-T134 PolarHBondContact O-N 3.2Å; T134-Q137 PolarHBondContact O-N 2.86Å; T134-T138 PolarHBondContact O-N 2.96Å; T134-T138 PolarHBondContact O-OG1 3.08Å
135G92.3Very high86.8Confident24 Ų24100.8 Ų100.825%0.24751%0.509CS..Hα-helixtrans-59.1-51172.700000113R131 A132 Q137 T138 E139R131-G135 PolarHBondContact O-N 3.22Å; R131-G135 VanDerWaalsContact O-N 3.09Å; A132-G135 PolarHBondContact O-N 3.01Å; G135-Q137 PolarHBondContact O-N 3.11Å; G135-T138 WeakPolarHBondContact CA-OG1 3.3Å; G135-T138 PolarHBondContact O-N 3.34Å; G135-T138 VanDerWaalsContact O-N 3.15Å; G135-T138 PolarHBondContact O-OG1 3.39Å; G135-E139 WeakPolarHBondContact O-CG 3.47Å; G135-E139 PolarHBondContact O-N 2.92Å
136M90Very high87.8Confident128 Ų128102.7 Ų102.763%0.63152%0.516SS*.Hα-helixtrans-60.1-33.7174.6-70.7178.274.400112.3A132 L140A132-M136 WeakPolarHBondContact O-CB 3.34Å; A132-M136 VanDerWaalsContact O-CG 3.3Å; A132-M136 WeakPolarHBondContact O-CG 3.3Å; A132-M136 PolarHBondContact O-N 3.36Å; M136-L140 WeakPolarHBondContact O-CB 3.37Å; M136-L140 PolarHBondContact O-N 3.15Å
137Q90.1Very high88.7Confident126 Ų126102.2 Ų102.259%0.58952%0.52SS*.Hα-helixtrans-72.2-33177.8-173.1171.6-4.700112.4V133 T134 G135 Q141V133-Q137 WeakPolarHBondContact O-CB 3.49Å; V133-Q137 PolarHBondContact O-N 3.23Å; T134-Q137 PolarHBondContact O-N 2.86Å; G135-Q137 PolarHBondContact O-N 3.11Å; Q137-Q141 PolarHBondContact O-N 2.83Å
138T91.2Very high89.5Confident84 Ų8497.2 Ų97.252%0.51551%0.507SS..Hα-helixtrans-69.2-48.1169.539.40000112T134 G135 L140 Q141 E142T134-T138 PolarHBondContact O-N 2.96Å; T134-T138 PolarHBondContact O-OG1 3.08Å; G135-T138 WeakPolarHBondContact CA-OG1 3.3Å; G135-T138 PolarHBondContact O-N 3.34Å; G135-T138 VanDerWaalsContact O-N 3.15Å; G135-T138 PolarHBondContact O-OG1 3.39Å; T138-L140 VanDerWaalsContact C-N 3.32Å; T138-L140 PolarHBondContact O-N 2.85Å; T138-Q141 PolarHBondContact O-N 3.45Å; T138-E142 PolarHBondContact O-N 3.24Å
139E91.9Very high90.2Very high126 Ų12695.3 Ų95.359%0.58950%0.502SS*.Hα-helixtrans-57.9-43.4176.4-70.4169.8-171.100111.7G135 Q141 E142 A143G135-E139 WeakPolarHBondContact O-CG 3.47Å; G135-E139 PolarHBondContact O-N 2.92Å; E139-Q141 VanDerWaalsContact C-N 3.28Å; E139-Q141 PolarHBondContact O-N 3.42Å; E139-E142 PolarHBondContact O-N 3.43Å; E139-A143 WeakPolarHBondContact O-CB 3.27Å; E139-A143 PolarHBondContact O-N 3.37Å
140L92.3Very high90.6Very high87 Ų8795.8 Ų95.846%0.45550%0.503SS..Hα-helixtrans-60.1-37.2175-175.276.4000112.1M136 T138 R144M136-L140 WeakPolarHBondContact O-CB 3.37Å; M136-L140 PolarHBondContact O-N 3.15Å; T138-L140 VanDerWaalsContact C-N 3.32Å; T138-L140 PolarHBondContact O-N 2.85Å; L140-R144 WeakPolarHBondContact O-CB 3.38Å; L140-R144 WeakPolarHBondContact O-CD 3.15Å; L140-R144 WeakPolarHBondContact O-CG 3.31Å; L140-R144 PolarHBondContact O-N 2.91Å
141Q92.1Very high91.1Very high86 Ų8694.3 Ų94.340%0.40250%0.502SS..Hα-helixtrans-76.9-35.5179.5-170.155.343.900112.1Q137 T138 E139 R144 N145Q137-Q141 PolarHBondContact O-N 2.83Å; T138-Q141 PolarHBondContact O-N 3.45Å; E139-Q141 VanDerWaalsContact C-N 3.28Å; E139-Q141 PolarHBondContact O-N 3.42Å; Q141-R144 PolarHBondContact O-N 3.26Å; Q141-N145 PolarHBondContact NE2-OD1 3.45Å; Q141-N145 WeakPolarHBondContact O-CB 3.44Å; Q141-N145 PolarHBondContact O-N 3.09Å; Q141-N145 PolarHBondContact O-ND2 2.8Å; Q141-N145 PolarHBondContact O-OD1 2.84Å
142E93.5Very high91.6Very high130 Ų13088.8 Ų88.861%0.60750%0.495SS*.Hα-helixtrans-65-47.4171.9-70-178.3171.600111T138 E139 R144 N145 E146T138-E142 PolarHBondContact O-N 3.24Å; E139-E142 PolarHBondContact O-N 3.43Å; E142-R144 VanDerWaalsContact C-N 3.29Å; E142-R144 PolarHBondContact O-N 2.86Å; E142-N145 WeakPolarHBondContact O-CA 3.22Å; E142-N145 WeakPolarHBondContact O-CB 3.29Å; E142-N145 PolarHBondContact O-N 2.94Å; E142-E146 VanDerWaalsContact O-CG 3.31Å; E142-E146 WeakPolarHBondContact O-CG 3.49Å; E142-E146 PolarHBondContact O-N 3.06Å
143A90.9Very high92Very high59 Ų5995.2 Ų95.249%0.48851%0.511SS..Hα-helixtrans-58.1-38.3174.200000112.7E139 E146 A147E139-A143 WeakPolarHBondContact O-CB 3.27Å; E139-A143 PolarHBondContact O-N 3.37Å; A143-E146 PolarHBondContact O-N 3.5Å; A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3.4Å
144R92.1Very high92Very high145 Ų14594 Ų9455%0.54751%0.505SS..Hα-helixtrans-64.8-42.5171.7-78.6167.1175.2170.7-0.7112.6L140 Q141 E142 E146 A147 G148L140-R144 WeakPolarHBondContact O-CB 3.38Å; L140-R144 WeakPolarHBondContact O-CD 3.15Å; L140-R144 WeakPolarHBondContact O-CG 3.31Å; L140-R144 PolarHBondContact O-N 2.91Å; Q141-R144 PolarHBondContact O-N 3.26Å; E142-R144 VanDerWaalsContact C-N 3.29Å; E142-R144 PolarHBondContact O-N 2.86Å; R144-E146 VanDerWaalsContact C-N 3.3Å; R144-E146 PolarHBondContact O-N 3.18Å; R144-A147 PolarHBondContact O-N 3.32Å; R144-G148 PolarHBondContact O-N 3.05Å
145N92.1Very high92.1Very high85 Ų8593.7 Ų93.746%0.45551%0.506SS..Hα-helixtrans-64.2-37.5177.4-65.6-18.3000110.9Q141 E142 G148 K149Q141-N145 PolarHBondContact NE2-OD1 3.45Å; Q141-N145 WeakPolarHBondContact O-CB 3.44Å; Q141-N145 PolarHBondContact O-N 3.09Å; Q141-N145 PolarHBondContact O-ND2 2.8Å; Q141-N145 PolarHBondContact O-OD1 2.84Å; E142-N145 WeakPolarHBondContact O-CA 3.22Å; E142-N145 WeakPolarHBondContact O-CB 3.29Å; E142-N145 PolarHBondContact O-N 2.94Å; N145-G148 PolarHBondContact O-N 2.66Å; N145-K149 WeakPolarHBondContact O-CG 3.32Å; N145-K149 PolarHBondContact O-N 3.17Å; N145-K149 VanDerWaalsContact O-N 3.11Å
146E93.3Very high92.3Very high116 Ų11696.3 Ų96.354%0.54252%0.521SS..Hα-helixtrans-72.1-42.7175.7-59.6-129.4117.200112.7E142 A143 R144 G148 K149 M150E142-E146 VanDerWaalsContact O-CG 3.31Å; E142-E146 WeakPolarHBondContact O-CG 3.49Å; E142-E146 PolarHBondContact O-N 3.06Å; A143-E146 PolarHBondContact O-N 3.5Å; R144-E146 VanDerWaalsContact C-N 3.3Å; R144-E146 PolarHBondContact O-N 3.18Å; E146-G148 PolarHBondContact O-N 3.41Å; E146-K149 WeakPolarHBondContact O-CB 3.3Å; E146-K149 PolarHBondContact O-N 3.26Å; E146-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 IonicContact OE1-NZ 2.69Å; E146-K149 PolarHBondContact OE1-NZ 3.02Å; E146-M150 WeakPolarHBondContact O-CG 3.49Å; E146-M150 PolarHBondContact O-N 3.5Å
147A91.8Very high92.4Very high62 Ų6295.1 Ų95.151%0.51252%0.516SS..Hα-helixtrans-57.2-37.7171.400000111.6A143 R144 M150 S151A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3.4Å; R144-A147 PolarHBondContact O-N 3.32Å; A147-M150 PolarHBondContact O-N 3.28Å; A147-S151 VanDerWaalsContact O-CB 3.26Å; A147-S151 WeakPolarHBondContact O-CB 3.26Å; A147-S151 PolarHBondContact O-N 3.32Å
148G93.9Very high92.4Very high40 Ų4094.5 Ų94.541%0.41251%0.514SS..Hα-helixtrans-61.9-47.5171.800000113.4R144 N145 E146 M150 S151 A152R144-G148 PolarHBondContact O-N 3.05Å; N145-G148 PolarHBondContact O-N 2.66Å; E146-G148 PolarHBondContact O-N 3.41Å; G148-M150 VanDerWaalsContact C-N 3.32Å; G148-M150 PolarHBondContact O-N 3.48Å; G148-S151 PolarHBondContact O-N 3.16Å; G148-A152 WeakPolarHBondContact O-CB 3.3Å; G148-A152 PolarHBondContact O-N 2.88Å
149K94.3Very high92.5Very high123 Ų12393.4 Ų93.454%0.53551%0.509SS..Hα-helixtrans-60.2-41.1175.1-64.8167.1-161.4165.50111.9N145 E146 R153N145-K149 WeakPolarHBondContact O-CG 3.32Å; N145-K149 PolarHBondContact O-N 3.17Å; N145-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 WeakPolarHBondContact O-CB 3.3Å; E146-K149 PolarHBondContact O-N 3.26Å; E146-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 IonicContact OE1-NZ 2.69Å; E146-K149 PolarHBondContact OE1-NZ 3.02Å; K149-R153 PolarHBondContact O-N 2.9Å; K149-R153 VanDerWaalsContact O-N 3.15Å
150M90.7Very high92.6Very high107 Ų10792.6 Ų92.653%0.52751%0.505SS..Hα-helixtrans-70.9-42.4179.6-70.2-59.3-68.400111.7E146 A147 G148 A152 R153 C154E146-M150 WeakPolarHBondContact O-CG 3.49Å; E146-M150 PolarHBondContact O-N 3.5Å; A147-M150 PolarHBondContact O-N 3.28Å; G148-M150 VanDerWaalsContact C-N 3.32Å; G148-M150 PolarHBondContact O-N 3.48Å; M150-A152 PolarHBondContact O-N 2.79Å; M150-R153 WeakPolarHBondContact O-CB 3.46Å; M150-R153 PolarHBondContact O-N 2.91Å; M150-R153 VanDerWaalsContact O-N 3.14Å; M150-C154 PolarHBondContact O-N 3.43Å; M150-C154 PolarHBondContact O-SG 3.22Å; M150-C154 VanDerWaalsContact O-SG 3.32Å
151S93.5Very high92.5Very high74 Ų7492.2 Ų92.252%0.51751%0.507SS..Hα-helixtrans-57.6-47.3173.3-176.10000111.8A147 G148 R153 C154 S155A147-S151 VanDerWaalsContact O-CB 3.26Å; A147-S151 WeakPolarHBondContact O-CB 3.26Å; A147-S151 PolarHBondContact O-N 3.32Å; G148-S151 PolarHBondContact O-N 3.16Å; S151-R153 VanDerWaalsContact C-N 3.29Å; S151-R153 PolarHBondContact O-N 3.37Å; S151-C154 WeakPolarHBondContact O-CB 3.48Å; S151-C154 PolarHBondContact O-N 3.1Å; S151-C154 VanDerWaalsContact O-N 3.08Å; S151-S155 PolarHBondContact O-N 2.69Å
152A94Very high92.5Very high65 Ų6591.3 Ų91.354%0.53751%0.51SS..Hα-helixtrans-60.8-35175.800000113.1G148 M150 S156G148-A152 WeakPolarHBondContact O-CB 3.3Å; G148-A152 PolarHBondContact O-N 2.88Å; M150-A152 PolarHBondContact O-N 2.79Å; A152-S156 WeakPolarHBondContact O-CB 3.37Å; A152-S156 PolarHBondContact O-N 2.85Å; A152-S156 VanDerWaalsContact O-N 3.13Å
153R94.9Very high92.5Very high175 Ų17590.3 Ų90.366%0.6651%0.505SS*.Hα-helixtrans-67.8-42.3171.6-80.9179.2166.9173.9-4112.4K149 M150 S151 S156 L157K149-R153 PolarHBondContact O-N 2.9Å; K149-R153 VanDerWaalsContact O-N 3.15Å; M150-R153 WeakPolarHBondContact O-CB 3.46Å; M150-R153 PolarHBondContact O-N 2.91Å; M150-R153 VanDerWaalsContact O-N 3.14Å; S151-R153 VanDerWaalsContact C-N 3.29Å; S151-R153 PolarHBondContact O-N 3.37Å; R153-S156 PolarHBondContact O-N 3.44Å; R153-L157 WeakPolarHBondContact O-CG 3.26Å; R153-L157 PolarHBondContact O-N 3.34Å
154C88.6Confident92.5Very high59 Ų5992.4 Ų92.440%0.39951%0.508SS..Hα-helixtrans-58.3-51.7175.4-66.40000110.9M150 S151 S156 L157 E158M150-C154 PolarHBondContact O-N 3.43Å; M150-C154 PolarHBondContact O-SG 3.22Å; M150-C154 VanDerWaalsContact O-SG 3.32Å; S151-C154 WeakPolarHBondContact O-CB 3.48Å; S151-C154 PolarHBondContact O-N 3.1Å; S151-C154 VanDerWaalsContact O-N 3.08Å; C154-S156 VanDerWaalsContact C-N 3.29Å; C154-S156 PolarHBondContact O-N 2.83Å; C154-L157 CarbonylContact O-C 3.59Å; C154-L157 PolarHBondContact O-N 2.86Å; C154-E158 WeakPolarHBondContact O-CB 3.48Å; C154-E158 VanDerWaalsContact O-CG 3.28Å; C154-E158 WeakPolarHBondContact O-CG 3.39Å; C154-E158 PolarHBondContact O-N 2.92Å
155S91.9Very high92.4Very high66 Ų6690.5 Ų90.546%0.46251%0.506SS..Hα-helixtrans-64.3-30.3179-580000114S151 E158 S159S151-S155 PolarHBondContact O-N 2.69Å; S155-E158 WeakPolarHBondContact CA-OE2 3.48Å; S155-S159 PolarHBondContact O-N 3.11Å; S155-S159 VanDerWaalsContact O-N 3.15Å
156S95.2Very high92.4Very high80 Ų8091.1 Ų91.156%0.55951%0.507SS*.Hα-helixtrans-66.2-42170.9-170.30000112.1A152 R153 C154 S159 E160A152-S156 WeakPolarHBondContact O-CB 3.37Å; A152-S156 PolarHBondContact O-N 2.85Å; A152-S156 VanDerWaalsContact O-N 3.13Å; R153-S156 PolarHBondContact O-N 3.44Å; C154-S156 VanDerWaalsContact C-N 3.29Å; C154-S156 PolarHBondContact O-N 2.83Å; S156-S159 PolarHBondContact O-N 3.43Å; S156-E160 PolarHBondContact O-N 2.95Å; S156-E160 VanDerWaalsContact O-N 3.11Å
157L91.8Very high92.3Very high102 Ų10290.8 Ų90.853%0.53451%0.505SS..Hα-helixtrans-72.5-35.7178.3-70.4167.6000112R153 C154 S159 E160 V161R153-L157 WeakPolarHBondContact O-CG 3.26Å; R153-L157 PolarHBondContact O-N 3.34Å; C154-L157 CarbonylContact O-C 3.59Å; C154-L157 PolarHBondContact O-N 2.86Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 3.22Å; L157-E160 PolarHBondContact O-N 3.05Å; L157-V161 WeakPolarHBondContact O-CB 3.47Å; L157-V161 VanDerWaalsContact O-CG2 3.3Å; L157-V161 WeakPolarHBondContact O-CG2 3.48Å; L157-V161 PolarHBondContact O-N 3.5Å
158E91.5Very high92.1Very high114 Ų11494.4 Ų94.453%0.53351%0.511SS..Hα-helixtrans-61-38.7172.8-72.9161.2-177.400111.3C154 S155 S162C154-E158 WeakPolarHBondContact O-CB 3.48Å; C154-E158 VanDerWaalsContact O-CG 3.28Å; C154-E158 WeakPolarHBondContact O-CG 3.39Å; C154-E158 PolarHBondContact O-N 2.92Å; S155-E158 WeakPolarHBondContact CA-OE2 3.48Å; E158-S162 WeakPolarHBondContact O-CB 3.49Å; E158-S162 PolarHBondContact O-N 3.28Å; E158-S162 PolarHBondContact O-OG 3.38Å
159S92.6Very high92Very high60 Ų6099.1 Ų99.142%0.4252%0.522SS..Hα-helixtrans-68.5-42.1173.4-1690000112.5S155 S156 L157 S162 Q163S155-S159 PolarHBondContact O-N 3.11Å; S155-S159 VanDerWaalsContact O-N 3.15Å; S156-S159 PolarHBondContact O-N 3.43Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 3.22Å; S159-S162 PolarHBondContact O-N 3.11Å; S159-Q163 WeakPolarHBondContact O-CG 3.49Å; S159-Q163 PolarHBondContact O-N 3.29Å; S159-Q163 PolarHBondContact O-NE2 3.18Å; S159-Q163 PolarHBondContact OG-NE2 2.77Å
160E94Very high92Very high109 Ų10997.7 Ų97.751%0.50952%0.516SS..Hα-helixtrans-64-43.5175.9-172.1173.5-170.600111.5S156 L157 S162 Q163 L164S156-E160 PolarHBondContact O-N 2.95Å; S156-E160 VanDerWaalsContact O-N 3.11Å; L157-E160 PolarHBondContact O-N 3.05Å; E160-S162 PolarHBondContact O-N 3.31Å; E160-Q163 PolarHBondContact O-N 2.91Å; E160-L164 HydrophobicContact CG-CD1 4.29Å; E160-L164 VanDerWaalsContact O-CG 3.3Å; E160-L164 WeakPolarHBondContact O-CG 3.36Å; E160-L164 PolarHBondContact O-N 2.84Å
161V89.8Confident91.6Very high80 Ų8096.6 Ų96.649%0.48552%0.518SS..Hα-helixtrans-61.4-42.41741690000111.4L157 Q163 L164 M165L157-V161 WeakPolarHBondContact O-CB 3.47Å; L157-V161 VanDerWaalsContact O-CG2 3.3Å; L157-V161 WeakPolarHBondContact O-CG2 3.48Å; L157-V161 PolarHBondContact O-N 3.5Å; V161-Q163 PolarHBondContact O-N 3.4Å; V161-L164 PolarHBondContact O-N 2.95Å; V161-M165 WeakPolarHBondContact O-CG 3.37Å; V161-M165 PolarHBondContact O-N 3.42Å
162S91.8Very high91.3Very high67 Ų6796.3 Ų96.347%0.46952%0.516SS..Hα-helixtrans-61.9-42.9177-59.60000112.2E158 S159 E160 M165 E166E158-S162 WeakPolarHBondContact O-CB 3.49Å; E158-S162 PolarHBondContact O-N 3.28Å; E158-S162 PolarHBondContact O-OG 3.38Å; S159-S162 PolarHBondContact O-N 3.11Å; E160-S162 PolarHBondContact O-N 3.31Å; S162-M165 PolarHBondContact O-N 2.81Å; S162-E166 PolarHBondContact O-N 3.34Å; S162-E166 VanDerWaalsContact O-N 3.08Å
163Q94.3Very high91.2Very high108 Ų10899 Ų9951%0.50552%0.517SS..Hα-helixtrans-64.6-39.1174.8-69.5169.450.900111.9S159 E160 V161 E166 H167S159-Q163 WeakPolarHBondContact O-CG 3.49Å; S159-Q163 PolarHBondContact O-N 3.29Å; S159-Q163 PolarHBondContact O-NE2 3.18Å; S159-Q163 PolarHBondContact OG-NE2 2.77Å; E160-Q163 PolarHBondContact O-N 2.91Å; V161-Q163 PolarHBondContact O-N 3.4Å; Q163-E166 PolarHBondContact O-N 2.9Å; Q163-H167 PolarHBondContact O-CD2 2.98Å; Q163-H167 PolarHBondContact O-N 3.4Å
164L90.3Very high91Very high104 Ų10496.2 Ų96.255%0.54552%0.515SS..Hα-helixtrans-65.6-39.8176.6-72.9170.2000112.3E160 V161 H167 E168E160-L164 HydrophobicContact CG-CD1 4.29Å; E160-L164 VanDerWaalsContact O-CG 3.3Å; E160-L164 WeakPolarHBondContact O-CG 3.36Å; E160-L164 PolarHBondContact O-N 2.84Å; V161-L164 PolarHBondContact O-N 2.95Å; L164-H167 PolarHBondContact O-N 2.77Å; L164-E168 PolarHBondContact O-N 3.21Å
165M89.5Confident90.9Very high104 Ų10499 Ų9951%0.51252%0.522SS..Hα-helixtrans-65.1-43.1173.9-67.2-166.5-49.400111.8V161 S162 H167 E168 E169V161-M165 WeakPolarHBondContact O-CG 3.37Å; V161-M165 PolarHBondContact O-N 3.42Å; S162-M165 PolarHBondContact O-N 2.81Å; M165-H167 PolarHBondContact O-N 2.78Å; M165-E168 WeakPolarHBondContact O-CB 3.45Å; M165-E168 PolarHBondContact O-N 3.13Å; M165-E169 PolarHBondContact O-N 3.14Å
166E93.7Very high90.9Very high99 Ų9999 Ų9946%0.46352%0.52SS..Hα-helixtrans-62.6-32.2176.2-155.1-151.9166.100111.8S162 Q163 K170S162-E166 PolarHBondContact O-N 3.34Å; S162-E166 VanDerWaalsContact O-N 3.08Å; Q163-E166 PolarHBondContact O-N 2.9Å; E166-K170 VanDerWaalsContact O-CD 3.25Å; E166-K170 WeakPolarHBondContact O-CD 3.44Å; E166-K170 WeakPolarHBondContact O-CG 3.49Å; E166-K170 PolarHBondContact O-N 3.36Å; E166-K170 WeakPolarHBondContact OE1-CE 3.41Å; E166-K170 IonicContact OE1-NZ 3.89Å; E166-K170 PolarHBondContact OE1-NZ 3.36Å; E166-K170 IonicContact OE2-NZ 3.16Å; E166-K170 PolarHBondContact OE2-NZ 2.82Å; E166-K170 VanDerWaalsContact OE2-NZ 3.1Å
167H90.2Very high90.7Very high109 Ų10998.3 Ų98.351%0.50551%0.507SS..Hα-helixtrans-72.1-38.1171-82.4-61.7000113.1Q163 L164 M165 K170 C171Q163-H167 PolarHBondContact O-CD2 2.98Å; Q163-H167 PolarHBondContact O-N 3.4Å; L164-H167 PolarHBondContact O-N 2.77Å; M165-H167 PolarHBondContact O-N 2.78Å; H167-K170 PolarHBondContact O-N 3.46Å; H167-C171 WeakPolarHBondContact O-CB 3.48Å; H167-C171 PolarHBondContact O-N 3.13Å; H167-C171 PolarHBondContact O-SG 3.38Å; H167-C171 VanDerWaalsContact O-SG 3.34Å
168E88.1Confident90.2Very high137 Ų13797.6 Ų97.664%0.6450%0.504SS*.Hα-helixtrans-63.2-44.7175.3-173.8171.8-169.600111.5L164 M165 K170 C171 S172L164-E168 PolarHBondContact O-N 3.21Å; M165-E168 WeakPolarHBondContact O-CB 3.45Å; M165-E168 PolarHBondContact O-N 3.13Å; E168-K170 PolarHBondContact O-N 3.01Å; E168-C171 PolarHBondContact O-N 2.78Å; E168-S172 WeakPolarHBondContact O-CB 3.46Å; E168-S172 PolarHBondContact O-N 3.01Å
169E91.7Very high90Very high139 Ų13995.9 Ų95.965%0.6550%0.496SS*.Hα-helixtrans-59.4-45174.3-71.7-177.1170.600112.1M165 C171 S172 H173M165-E169 PolarHBondContact O-N 3.14Å; E169-C171 PolarHBondContact O-N 2.81Å; E169-S172 PolarHBondContact O-N 3.3Å; E169-H173 WeakPolarHBondContact O-CB 3.45Å; E169-H173 PolarHBondContact O-N 3.26Å
170K93.8Very high90.1Very high93 Ų9398.4 Ų98.440%0.40450%0.496SS..Hα-helixtrans-62.1-40.8175.5-71.9164-169.6167.80112.1E166 H167 E168 L174E166-K170 VanDerWaalsContact O-CD 3.25Å; E166-K170 WeakPolarHBondContact O-CD 3.44Å; E166-K170 WeakPolarHBondContact O-CG 3.49Å; E166-K170 PolarHBondContact O-N 3.36Å; E166-K170 WeakPolarHBondContact OE1-CE 3.41Å; E166-K170 IonicContact OE1-NZ 3.89Å; E166-K170 PolarHBondContact OE1-NZ 3.36Å; E166-K170 IonicContact OE2-NZ 3.16Å; E166-K170 PolarHBondContact OE2-NZ 2.82Å; E166-K170 VanDerWaalsContact OE2-NZ 3.1Å; H167-K170 PolarHBondContact O-N 3.46Å; E168-K170 PolarHBondContact O-N 3.01Å; K170-L174 WeakPolarHBondContact O-CG 3.33Å; K170-L174 PolarHBondContact O-N 2.61Å; K170-L174 VanDerWaalsContact O-N 3.13Å
171C82.8Confident90Very high84 Ų8497.1 Ų97.157%0.56849%0.492SS*.Hα-helixtrans-66.4-43.2175.5-73.90000112.1H167 E168 E169 L174 Q175H167-C171 WeakPolarHBondContact O-CB 3.48Å; H167-C171 PolarHBondContact O-N 3.13Å; H167-C171 PolarHBondContact O-SG 3.38Å; H167-C171 VanDerWaalsContact O-SG 3.34Å; E168-C171 PolarHBondContact O-N 2.78Å; E169-C171 PolarHBondContact O-N 2.81Å; C171-L174 PolarHBondContact O-N 3Å; C171-Q175 PolarHBondContact O-N 3.03Å
172S86.9Confident89.8Confident69 Ų6998.7 Ų98.748%0.48350%0.495SS..Hα-helixtrans-59.8-46.7175.8-177.60000111.6E168 E169 L174 Q175 T176E168-S172 WeakPolarHBondContact O-CB 3.46Å; E168-S172 PolarHBondContact O-N 3.01Å; E169-S172 PolarHBondContact O-N 3.3Å; S172-L174 PolarHBondContact O-N 2.77Å; S172-Q175 WeakPolarHBondContact O-CB 3.31Å; S172-Q175 PolarHBondContact O-N 2.85Å; S172-Q175 VanDerWaalsContact O-N 3.16Å; S172-T176 PolarHBondContact O-N 2.68Å
173H92.6Very high89.8Confident120 Ų120102.9 Ų102.956%0.55650%0.5SS*.Hα-helixtrans-58.1-49.8175.7-178.355.1000112.1E169 Q175 T176 E177E169-H173 WeakPolarHBondContact O-CB 3.45Å; E169-H173 PolarHBondContact O-N 3.26Å; H173-Q175 VanDerWaalsContact C-N 3.28Å; H173-Q175 PolarHBondContact O-N 2.86Å; H173-T176 PolarHBondContact O-N 2.9Å; H173-T176 VanDerWaalsContact O-N 3.14Å; H173-T176 PolarHBondContact O-OG1 3.11Å; H173-E177 PolarHBondContact O-N 2.84Å
174L90.3Very high89.8Confident117 Ų117102.8 Ų102.861%0.61350%0.5SS*.Hα-helixtrans-61.3-33.4176.8-71.4172000113K170 C171 S172 N178K170-L174 WeakPolarHBondContact O-CG 3.33Å; K170-L174 PolarHBondContact O-N 2.61Å; K170-L174 VanDerWaalsContact O-N 3.13Å; C171-L174 PolarHBondContact O-N 3Å; S172-L174 PolarHBondContact O-N 2.77Å; L174-N178 WeakPolarHBondContact O-CB 3.26Å; L174-N178 PolarHBondContact O-N 2.91Å
175Q85.6Confident89.8Confident118 Ų118103.1 Ų103.155%0.55150%0.501SS*.Hα-helixtrans-65.2-46.5173.1-173.7-178.2-40.200111.3C171 S172 H173 E177 N178 E179C171-Q175 PolarHBondContact O-N 3.03Å; S172-Q175 WeakPolarHBondContact O-CB 3.31Å; S172-Q175 PolarHBondContact O-N 2.85Å; S172-Q175 VanDerWaalsContact O-N 3.16Å; H173-Q175 VanDerWaalsContact C-N 3.28Å; H173-Q175 PolarHBondContact O-N 2.86Å; Q175-E177 VanDerWaalsContact C-N 3.3Å; Q175-E177 PolarHBondContact O-N 3.03Å; Q175-N178 WeakPolarHBondContact O-CB 3.36Å; Q175-N178 PolarHBondContact O-N 3.47Å; Q175-N178 VanDerWaalsContact O-N 3.1Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.15Å; Q175-E179 PolarHBondContact NE2-OE1 3.49Å; Q175-E179 WeakPolarHBondContact O-CG 3.49Å; Q175-E179 PolarHBondContact O-N 3.32Å
176T91.7Very high89.6Confident67 Ų6799.5 Ų99.541%0.41149%0.491SS..Hα-helixtrans-63.9-33.8178.963.90000113.1S172 H173 R180S172-T176 PolarHBondContact O-N 2.68Å; H173-T176 PolarHBondContact O-N 2.9Å; H173-T176 VanDerWaalsContact O-N 3.14Å; H173-T176 PolarHBondContact O-OG1 3.11Å; T176-R180 WeakPolarHBondContact O-CB 3.46Å; T176-R180 PolarHBondContact O-N 2.98Å
177E91.2Very high89.6Confident64 Ų6496.1 Ų96.130%0.29948%0.478SS..Hα-helixtrans-64.1-45.6170.2-92.8-64.7104.200111.8H173 Q175 E179 R180 L181H173-E177 PolarHBondContact O-N 2.84Å; Q175-E177 VanDerWaalsContact C-N 3.3Å; Q175-E177 PolarHBondContact O-N 3.03Å; E177-E179 PolarHBondContact O-N 3.35Å; E177-R180 VanDerWaalsContact CD-NH2 3.29Å; E177-R180 WeakPolarHBondContact O-CB 3.49Å; E177-R180 PolarHBondContact O-N 3.21Å; E177-R180 VanDerWaalsContact O-N 3.13Å; E177-R180 IonicContact OE1-CZ 3.1Å; E177-R180 VanDerWaalsContact OE1-CZ 3.29Å; E177-R180 IonicContact OE1-NE 2.65Å; E177-R180 PolarHBondContact OE1-NE 3.4Å; E177-R180 IonicContact OE1-NH2 3.55Å; E177-R180 PolarHBondContact OE1-NH2 2.9Å; E177-R180 IonicContact OE2-CZ 2.7Å; E177-R180 IonicContact OE2-NE 2.66Å; E177-R180 IonicContact OE2-NH2 2.75Å; E177-R180 PolarHBondContact OE2-NH2 2.76Å; E177-L181 WeakPolarHBondContact O-CG 3.48Å; E177-L181 PolarHBondContact O-N 3.02Å
178N81.5Confident89.7Confident88 Ų8894.2 Ų94.247%0.47147%0.471SS..Hα-helixtrans-62.5-44.7178.1-161.6-31.3000111.3L174 Q175 R180 L181 Q182L174-N178 WeakPolarHBondContact O-CB 3.26Å; L174-N178 PolarHBondContact O-N 2.91Å; Q175-N178 WeakPolarHBondContact O-CB 3.36Å; Q175-N178 PolarHBondContact O-N 3.47Å; Q175-N178 VanDerWaalsContact O-N 3.1Å; N178-R180 VanDerWaalsContact C-N 3.29Å; N178-R180 PolarHBondContact O-N 3.04Å; N178-L181 PolarHBondContact O-N 3.28Å; N178-Q182 WeakPolarHBondContact O-CB 3.28Å; N178-Q182 VanDerWaalsContact O-CG 3.32Å; N178-Q182 WeakPolarHBondContact O-CG 3.07Å; N178-Q182 PolarHBondContact O-N 2.65Å; N178-Q182 PolarHBondContact OD1-NE2 3.04Å
179E86.8Confident89.5Confident77 Ų7794.3 Ų94.336%0.3647%0.472SS..Hα-helixtrans-61.1-34.7173.2-70.2173.8-161.400112.7Q175 E177 R183Q175-E179 WeakPolarHBondContact CG-OE1 3.15Å; Q175-E179 PolarHBondContact NE2-OE1 3.49Å; Q175-E179 WeakPolarHBondContact O-CG 3.49Å; Q175-E179 PolarHBondContact O-N 3.32Å; E177-E179 PolarHBondContact O-N 3.35Å; E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.3Å; E179-R183 PolarHBondContact O-N 3.03Å; E179-R183 PolarHBondContact O-NE 3.26Å
180R96Very high89.6Confident114 Ų11495 Ų9543%0.4347%0.468SS..Hα-helixtrans-66.3-44.2174.1-173.6-177.766.780.81.3111.3T176 E177 N178 R183 H184T176-R180 WeakPolarHBondContact O-CB 3.46Å; T176-R180 PolarHBondContact O-N 2.98Å; E177-R180 VanDerWaalsContact CD-NH2 3.29Å; E177-R180 WeakPolarHBondContact O-CB 3.49Å; E177-R180 PolarHBondContact O-N 3.21Å; E177-R180 VanDerWaalsContact O-N 3.13Å; E177-R180 IonicContact OE1-CZ 3.1Å; E177-R180 VanDerWaalsContact OE1-CZ 3.29Å; E177-R180 IonicContact OE1-NE 2.65Å; E177-R180 PolarHBondContact OE1-NE 3.4Å; E177-R180 IonicContact OE1-NH2 3.55Å; E177-R180 PolarHBondContact OE1-NH2 2.9Å; E177-R180 IonicContact OE2-CZ 2.7Å; E177-R180 IonicContact OE2-NE 2.66Å; E177-R180 IonicContact OE2-NH2 2.75Å; E177-R180 PolarHBondContact OE2-NH2 2.76Å; N178-R180 VanDerWaalsContact C-N 3.29Å; N178-R180 PolarHBondContact O-N 3.04Å; R180-R183 PolarHBondContact O-N 3.32Å; R180-H184 PolarHBondContact O-N 3.45Å
181L92.5Very high89.6Confident81 Ų8194 Ų9442%0.42447%0.465SS..Hα-helixtrans-67.1-42.3177.7-67.2172.2000111.8E177 N178 R183 H184 L185E177-L181 WeakPolarHBondContact O-CG 3.48Å; E177-L181 PolarHBondContact O-N 3.02Å; N178-L181 PolarHBondContact O-N 3.28Å; L181-R183 PolarHBondContact O-N 3.03Å; L181-H184 PolarHBondContact O-N 3.06Å; L181-H184 VanDerWaalsContact O-N 3.14Å; L181-L185 WeakPolarHBondContact O-CG 3.27Å; L181-L185 PolarHBondContact O-N 3.13Å
182Q84Confident90Very high114 Ų11493.5 Ų93.553%0.53346%0.459SS..Hα-helixtrans-59.9-43.9174.1-71.8176.432.200112N178 H184 L185 G186N178-Q182 WeakPolarHBondContact O-CB 3.28Å; N178-Q182 VanDerWaalsContact O-CG 3.32Å; N178-Q182 WeakPolarHBondContact O-CG 3.07Å; N178-Q182 PolarHBondContact O-N 2.65Å; N178-Q182 PolarHBondContact OD1-NE2 3.04Å; Q182-H184 VanDerWaalsContact C-N 3.29Å; Q182-H184 PolarHBondContact O-N 3.17Å; Q182-L185 PolarHBondContact O-N 2.96Å; Q182-G186 PolarHBondContact O-N 3Å
183R91.9Very high90Very high155 Ų15593.5 Ų93.559%0.58546%0.456SS*.Hα-helixtrans-62.2-34.7174.2-79.2178.2-82.3116.9-7.3112.9E179 R180 L181 S187E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.3Å; E179-R183 PolarHBondContact O-N 3.03Å; E179-R183 PolarHBondContact O-NE 3.26Å; R180-R183 PolarHBondContact O-N 3.32Å; L181-R183 PolarHBondContact O-N 3.03Å; R183-S187 PolarHBondContact O-N 3.42Å
184H94.3Very high90.1Very high106 Ų10693.6 Ų93.649%0.49146%0.455SS..Hα-helixtrans-72.3-46.6176.2-172.652.6000112.3R180 L181 Q182 G186 S187 L188R180-H184 PolarHBondContact O-N 3.45Å; L181-H184 PolarHBondContact O-N 3.06Å; L181-H184 VanDerWaalsContact O-N 3.14Å; Q182-H184 VanDerWaalsContact C-N 3.29Å; Q182-H184 PolarHBondContact O-N 3.17Å; H184-G186 VanDerWaalsContact C-N 3.32Å; H184-G186 PolarHBondContact O-N 3.45Å; H184-S187 WeakPolarHBondContact O-CA 3.47Å; H184-S187 WeakPolarHBondContact O-CB 3.27Å; H184-S187 PolarHBondContact O-N 2.95Å; H184-L188 PolarHBondContact O-N 2.92Å
185L89.9Confident90.1Very high110 Ų11093.2 Ų93.258%0.57645%0.453SS*.Hα-helixtrans-57.8-43.8173.5-71.3170.1000111.5L181 Q182 S187 L188 Q189L181-L185 WeakPolarHBondContact O-CG 3.27Å; L181-L185 PolarHBondContact O-N 3.13Å; Q182-L185 PolarHBondContact O-N 2.96Å; L185-S187 PolarHBondContact O-N 3.02Å; L185-S187 VanDerWaalsContact O-N 3.17Å; L185-L188 PolarHBondContact O-N 3.46Å; L185-Q189 WeakPolarHBondContact O-CB 3.03Å; L185-Q189 PolarHBondContact O-N 3.23Å
186G86.9Confident90.3Very high29 Ų2993.7 Ų93.730%0.29945%0.453SS..Hα-helixtrans-67.3-6.717300000114.9Q182 H184 R190Q182-G186 PolarHBondContact O-N 3Å; H184-G186 VanDerWaalsContact C-N 3.32Å; H184-G186 PolarHBondContact O-N 3.45Å; G186-R190 PolarHBondContact O-NE 3.25Å; G186-R190 PolarHBondContact O-NH2 2.83Å
187S92.2Very high90.4Very high28 Ų2895.1 Ų95.120%0.19646%0.459CS..Hα-helixtrans-93.3-48.2166.7-154.70000111.9R183 H184 L185 Q189 R190 E191R183-S187 PolarHBondContact O-N 3.42Å; H184-S187 WeakPolarHBondContact O-CA 3.47Å; H184-S187 WeakPolarHBondContact O-CB 3.27Å; H184-S187 PolarHBondContact O-N 2.95Å; L185-S187 PolarHBondContact O-N 3.02Å; L185-S187 VanDerWaalsContact O-N 3.17Å; S187-Q189 PolarHBondContact O-N 3.05Å; S187-R190 VanDerWaalsContact CB-NH2 3.28Å; S187-R190 WeakPolarHBondContact O-CA 3.37Å; S187-R190 WeakPolarHBondContact O-CB 3.15Å; S187-R190 PolarHBondContact O-N 2.82Å; S187-R190 PolarHBondContact OG-NH2 3.37Å; S187-E191 PolarHBondContact O-N 2.81Å; S187-E191 PolarHBondContact OG-OE1 2.83Å
188L92.9Very high90.5Very high69 Ų6995.9 Ų95.936%0.36146%0.462SS..Hα-helixtrans-56.3-38.3174.5-64.8173.3000111.5H184 L185 R190 E191 V192H184-L188 PolarHBondContact O-N 2.92Å; L185-L188 PolarHBondContact O-N 3.46Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 3.21Å; L188-E191 PolarHBondContact O-N 3.02Å; L188-V192 WeakPolarHBondContact O-CB 3.18Å; L188-V192 VanDerWaalsContact O-CG2 3.3Å; L188-V192 WeakPolarHBondContact O-CG2 3.26Å; L188-V192 PolarHBondContact O-N 3.37Å
189Q85.1Confident90.8Very high139 Ų13997.4 Ų97.465%0.6547%0.465SS*.Hα-helixtrans-64.8-35175.6-169.3172.85.600113L185 S187 T193L185-Q189 WeakPolarHBondContact O-CB 3.03Å; L185-Q189 PolarHBondContact O-N 3.23Å; S187-Q189 PolarHBondContact O-N 3.05Å; Q189-T193 PolarHBondContact O-N 3.4Å; Q189-T193 PolarHBondContact O-OG1 2.99Å
190R93.3Very high90.8Very high152 Ų15297.2 Ų97.257%0.57447%0.471SS*.Hα-helixtrans-73.5-35174.8-74.8-178.9-72.9104.5-3.4112.5G186 S187 L188 T193 K194G186-R190 PolarHBondContact O-NE 3.25Å; G186-R190 PolarHBondContact O-NH2 2.83Å; S187-R190 VanDerWaalsContact CB-NH2 3.28Å; S187-R190 WeakPolarHBondContact O-CA 3.37Å; S187-R190 WeakPolarHBondContact O-CB 3.15Å; S187-R190 PolarHBondContact O-N 2.82Å; S187-R190 PolarHBondContact OG-NH2 3.37Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 3.21Å; R190-T193 WeakPolarHBondContact CA-OG1 3.43Å; R190-T193 PolarHBondContact O-OG1 2.61Å; R190-K194 WeakPolarHBondContact O-CB 3.35Å; R190-K194 PolarHBondContact O-N 3.02Å
191E93.6Very high90.6Very high74 Ų7496 Ų9635%0.34647%0.473SS..Hα-helixtrans-65.9-42.5171.5-73.3165.3-127.100110.4S187 L188 T193 K194 L195 Q325S187-E191 PolarHBondContact O-N 2.81Å; S187-E191 PolarHBondContact OG-OE1 2.83Å; L188-E191 PolarHBondContact O-N 3.02Å; E191-T193 PolarHBondContact O-N 3.42Å; E191-K194 PolarHBondContact O-N 3.03Å; E191-L195 WeakPolarHBondContact O-CB 3.48Å; E191-L195 WeakPolarHBondContact O-CG 3.25Å; E191-L195 PolarHBondContact O-N 2.83Å; E191-Q325 PolarHBondContact OE2-NE2 3.23Å
192V91.1Very high90.6Very high73 Ų7397 Ų9744%0.44248%0.478SS..Hα-helixtrans-65.6-34.9175.5168.40000112.9L188 K196L188-V192 WeakPolarHBondContact O-CB 3.18Å; L188-V192 VanDerWaalsContact O-CG2 3.3Å; L188-V192 WeakPolarHBondContact O-CG2 3.26Å; L188-V192 PolarHBondContact O-N 3.37Å; V192-K196 HydrophobicContact CG1-CD 4.47Å; V192-K196 VanDerWaalsContact O-CG 3.3Å; V192-K196 WeakPolarHBondContact O-CG 3.46Å; V192-K196 PolarHBondContact O-N 3.08Å
193T86Confident90.9Very high68 Ų6898.1 Ų98.142%0.41748%0.479SS..Hα-helixtrans-67.7-48.1171.149.50000111.1Q189 R190 E191 L195 K196 D197Q189-T193 PolarHBondContact O-N 3.4Å; Q189-T193 PolarHBondContact O-OG1 2.99Å; R190-T193 WeakPolarHBondContact CA-OG1 3.43Å; R190-T193 PolarHBondContact O-OG1 2.61Å; E191-T193 PolarHBondContact O-N 3.42Å; T193-L195 VanDerWaalsContact C-N 3.29Å; T193-L195 PolarHBondContact O-N 3.39Å; T193-K196 WeakPolarHBondContact O-CA 3.42Å; T193-K196 WeakPolarHBondContact O-CB 3.33Å; T193-K196 PolarHBondContact O-N 2.98Å; T193-D197 PolarHBondContact O-N 2.95Å
194K95.1Very high90.9Very high122 Ų12296.1 Ų96.153%0.5348%0.478SS..Hα-helixtrans-56.5-41.7178.3-176172.7-177.3-73.30112.6R190 E191 K196 D197 E198R190-K194 WeakPolarHBondContact O-CB 3.35Å; R190-K194 PolarHBondContact O-N 3.02Å; E191-K194 PolarHBondContact O-N 3.03Å; K194-K196 VanDerWaalsContact C-N 3.33Å; K194-K196 PolarHBondContact O-N 2.99Å; K194-D197 PolarHBondContact O-N 2.82Å; K194-E198 IonicContact NZ-OE1 3.29Å; K194-E198 PolarHBondContact NZ-OE1 2.9Å; K194-E198 WeakPolarHBondContact O-CB 2.98Å; K194-E198 WeakPolarHBondContact O-CG 3.3Å; K194-E198 PolarHBondContact O-N 3.36Å
195L91.8Very high90.8Very high109 Ų10998.3 Ų98.357%0.57148%0.482SS*.Hα-helixtrans-69.2-26.2175.4-71171.5000113.6E191 T193 K199E191-L195 WeakPolarHBondContact O-CB 3.48Å; E191-L195 WeakPolarHBondContact O-CG 3.25Å; E191-L195 PolarHBondContact O-N 2.83Å; T193-L195 VanDerWaalsContact C-N 3.29Å; T193-L195 PolarHBondContact O-N 3.39Å; L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.4Å; L195-K199 PolarHBondContact O-N 2.94Å; L195-K199 VanDerWaalsContact O-N 3.13Å
196K88.4Confident90.7Very high128 Ų128100.1 Ų100.156%0.55748%0.482SS*.Hα-helixtrans-73.5-41.2170.8-75.4172.1-180-175.70111.1V192 T193 K194 K199 C200V192-K196 HydrophobicContact CG1-CD 4.47Å; V192-K196 VanDerWaalsContact O-CG 3.3Å; V192-K196 WeakPolarHBondContact O-CG 3.46Å; V192-K196 PolarHBondContact O-N 3.08Å; T193-K196 WeakPolarHBondContact O-CA 3.42Å; T193-K196 WeakPolarHBondContact O-CB 3.33Å; T193-K196 PolarHBondContact O-N 2.98Å; K194-K196 VanDerWaalsContact C-N 3.33Å; K194-K196 PolarHBondContact O-N 2.99Å; K196-K199 WeakPolarHBondContact O-CB 3.46Å; K196-K199 PolarHBondContact O-N 3.38Å; K196-C200 PolarHBondContact O-N 3.34Å; K196-C200 PolarHBondContact O-SG 3.21Å
197D93.4Very high90.9Very high97 Ų97101.8 Ų101.852%0.51949%0.487SS..Hα-helixtrans-64.6-48.6178.1-54.2-32.2000110.1T193 K194 K199 C200 D201T193-D197 PolarHBondContact O-N 2.95Å; K194-D197 PolarHBondContact O-N 2.82Å; D197-K199 VanDerWaalsContact C-N 3.27Å; D197-K199 PolarHBondContact O-N 3.41Å; D197-C200 WeakPolarHBondContact O-CA 3.46Å; D197-C200 WeakPolarHBondContact O-CB 3.46Å; D197-C200 PolarHBondContact O-N 2.97Å; D197-D201 PolarHBondContact O-N 3.36Å
198E94.5Very high90.8Very high80 Ų80102.8 Ų102.837%0.37450%0.497SS..Hα-helixtrans-59.1-35.5173.5-73.5171.4-174.500113.1K194 L202K194-E198 IonicContact NZ-OE1 3.29Å; K194-E198 PolarHBondContact NZ-OE1 2.9Å; K194-E198 WeakPolarHBondContact O-CB 2.98Å; K194-E198 WeakPolarHBondContact O-CG 3.3Å; K194-E198 PolarHBondContact O-N 3.36Å; E198-L202 WeakPolarHBondContact O-CG 3.47Å; E198-L202 PolarHBondContact O-N 2.98Å; E198-L202 VanDerWaalsContact O-N 3.08Å
199K87.8Confident90.7Very high121 Ų121103 Ų10353%0.52650%0.504SS..Hα-helixtrans-65.7-43.8172.2179.8-178.2177.8-176.30111.1L195 K196 D197 L202 Y203L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.4Å; L195-K199 PolarHBondContact O-N 2.94Å; L195-K199 VanDerWaalsContact O-N 3.13Å; K196-K199 WeakPolarHBondContact O-CB 3.46Å; K196-K199 PolarHBondContact O-N 3.38Å; D197-K199 VanDerWaalsContact C-N 3.27Å; D197-K199 PolarHBondContact O-N 3.41Å; K199-L202 WeakPolarHBondContact O-CB 3.34Å; K199-L202 PolarHBondContact O-N 3.47Å; K199-Y203 HydrophobicContact CD-CE2 4.46Å; K199-Y203 HydrophobicContact CG-CD2 3.97Å; K199-Y203 HydrophobicContact CG-CE2 4Å; K199-Y203 WeakPolarHBondContact O-CD2 3.15Å; K199-Y203 PolarHBondContact O-N 3.41Å
200C86.1Confident91Very high72 Ų72100.3 Ų100.349%0.48649%0.493SS..Hα-helixtrans-60.6-43.9175.8-68.90000111.6K196 D197 L202 Y203 I204K196-C200 PolarHBondContact O-N 3.34Å; K196-C200 PolarHBondContact O-SG 3.21Å; D197-C200 WeakPolarHBondContact O-CA 3.46Å; D197-C200 WeakPolarHBondContact O-CB 3.46Å; D197-C200 PolarHBondContact O-N 2.97Å; C200-L202 VanDerWaalsContact C-N 3.27Å; C200-L202 PolarHBondContact O-N 2.99Å; C200-Y203 PolarHBondContact O-N 3.22Å; C200-Y203 VanDerWaalsContact O-N 3.1Å; C200-I204 WeakPolarHBondContact O-CG1 3.29Å; C200-I204 PolarHBondContact O-N 3.15Å
201D92.8Very high90.9Very high89 Ų8998.7 Ų98.748%0.47649%0.492SS..Hα-helixtrans-63.4-29.8175.8-70.6-18.2000113.3D197 R205D197-D201 PolarHBondContact O-N 3.36Å; D201-R205 WeakPolarHBondContact O-CG 3.27Å; D201-R205 PolarHBondContact O-N 3.33Å; D201-R205 PolarHBondContact O-NE 3.07Å
202L92.2Very high90.7Very high101 Ų101101.3 Ų101.353%0.52950%0.504SS..Hα-helixtrans-72.7-41.1171-77.3165.4000111.9E198 K199 C200 R205 Y206E198-L202 WeakPolarHBondContact O-CG 3.47Å; E198-L202 PolarHBondContact O-N 2.98Å; E198-L202 VanDerWaalsContact O-N 3.08Å; K199-L202 WeakPolarHBondContact O-CB 3.34Å; K199-L202 PolarHBondContact O-N 3.47Å; C200-L202 VanDerWaalsContact C-N 3.27Å; C200-L202 PolarHBondContact O-N 2.99Å; L202-R205 PolarHBondContact O-N 3.07Å; L202-Y206 WeakPolarHBondContact O-CB 3.47Å; L202-Y206 PolarHBondContact O-N 2.78Å
203Y89.3Confident90.8Very high139 Ų139104.2 Ų104.255%0.54551%0.511SS..Hα-helixtrans-64-43.5175.3-92.7-92.4000112.1K199 C200 R205 Y206 T207K199-Y203 HydrophobicContact CD-CE2 4.46Å; K199-Y203 HydrophobicContact CG-CD2 3.97Å; K199-Y203 HydrophobicContact CG-CE2 4Å; K199-Y203 WeakPolarHBondContact O-CD2 3.15Å; K199-Y203 PolarHBondContact O-N 3.41Å; C200-Y203 PolarHBondContact O-N 3.22Å; C200-Y203 VanDerWaalsContact O-N 3.1Å; Y203-R205 VanDerWaalsContact C-N 3.35Å; Y203-R205 PolarHBondContact O-N 3.17Å; Y203-Y206 PolarHBondContact O-N 3.01Å; Y203-T207 PolarHBondContact O-N 3.14Å; Y203-T207 PolarHBondContact O-OG1 2.67Å; Y203-T207 VanDerWaalsContact O-OG1 3.05Å
204I92.1Very high90.8Very high113 Ų113104.4 Ų104.458%0.57952%0.515SS*.Hα-helixtrans-58.4-47.2177.2-68.4164.2000110.7C200 T207 A208C200-I204 WeakPolarHBondContact O-CG1 3.29Å; C200-I204 PolarHBondContact O-N 3.15Å; I204-T207 PolarHBondContact O-N 3.29Å; I204-A208 PolarHBondContact O-N 2.82Å
205R91.8Very high90.7Very high151 Ų151101 Ų10157%0.5751%0.509SS*.Hα-helixtrans-64.1-41.4176.4-75.3179.4-73.5166.7-7.6112.7D201 L202 Y203 A208 S209D201-R205 WeakPolarHBondContact O-CG 3.27Å; D201-R205 PolarHBondContact O-N 3.33Å; D201-R205 PolarHBondContact O-NE 3.07Å; L202-R205 PolarHBondContact O-N 3.07Å; Y203-R205 VanDerWaalsContact C-N 3.35Å; Y203-R205 PolarHBondContact O-N 3.17Å; R205-A208 PolarHBondContact O-N 2.99Å; R205-S209 PolarHBondContact O-N 3.15Å; R205-S209 PolarHBondContact O-OG 2.99Å
206Y89.1Confident90.8Very high149 Ų14999.9 Ų99.958%0.58450%0.503SS*.Hα-helixtrans-63.5-42.5177.7180-111.1000112.4L202 Y203 S209 I210L202-Y206 WeakPolarHBondContact O-CB 3.47Å; L202-Y206 PolarHBondContact O-N 2.78Å; Y203-Y206 PolarHBondContact O-N 3.01Å; Y206-S209 PolarHBondContact O-N 2.78Å; Y206-I210 HydrophobicContact CD1-CD1 3.95Å; Y206-I210 HydrophobicContact CE1-CD1 3.43Å; Y206-I210 VanDerWaalsContact CE1-CD1 3.43Å; Y206-I210 HydrophobicContact CE1-CG1 4.43Å; Y206-I210 HydrophobicContact CE2-CD1 4.35Å; Y206-I210 PolarHBondContact O-N 3.49Å
207T90.2Very high90.8Very high64 Ų6498 Ų9839%0.39350%0.499SS..Hα-helixtrans-62.2-46.3174.6-57.10000111.2Y203 I204 S209 I210 E211Y203-T207 PolarHBondContact O-N 3.14Å; Y203-T207 PolarHBondContact O-OG1 2.67Å; Y203-T207 VanDerWaalsContact O-OG1 3.05Å; I204-T207 PolarHBondContact O-N 3.29Å; T207-S209 VanDerWaalsContact C-N 3.31Å; T207-S209 PolarHBondContact O-N 3.22Å; T207-I210 WeakPolarHBondContact O-CA 3.46Å; T207-I210 WeakPolarHBondContact O-CB 3.45Å; T207-I210 PolarHBondContact O-N 2.55Å; T207-E211 WeakPolarHBondContact O-CG 3.31Å; T207-E211 PolarHBondContact O-N 2.91Å
208A91.5Very high90.7Very high49 Ų4994.9 Ų94.941%0.40549%0.49SS..Hα-helixtrans-59.2-39.3176.300000112.6I204 R205 E211 E212I204-A208 PolarHBondContact O-N 2.82Å; R205-A208 PolarHBondContact O-N 2.99Å; A208-E211 PolarHBondContact O-N 3.13Å; A208-E212 PolarHBondContact O-N 2.88Å
209S90.7Very high90.8Very high72 Ų7299.7 Ų99.750%0.50351%0.505SS..Hα-helixtrans-69.9-27.2173.6-62.30000113.8R205 Y206 T207 K213R205-S209 PolarHBondContact O-N 3.15Å; R205-S209 PolarHBondContact O-OG 2.99Å; Y206-S209 PolarHBondContact O-N 2.78Å; T207-S209 VanDerWaalsContact C-N 3.31Å; T207-S209 PolarHBondContact O-N 3.22Å; S209-K213 VanDerWaalsContact O-CB 3.28Å; S209-K213 WeakPolarHBondContact O-CB 3.25Å; S209-K213 PolarHBondContact O-N 3.45Å; S209-K213 VanDerWaalsContact O-N 3.1Å
210I89.7Confident90.9Very high83 Ų8398.1 Ų98.143%0.42650%0.501SS..Hα-helixtrans-69.7-43169.7-75.5173.8000110.6Y206 T207 K213 S214Y206-I210 HydrophobicContact CD1-CD1 3.95Å; Y206-I210 HydrophobicContact CE1-CD1 3.43Å; Y206-I210 VanDerWaalsContact CE1-CD1 3.43Å; Y206-I210 HydrophobicContact CE1-CG1 4.43Å; Y206-I210 HydrophobicContact CE2-CD1 4.35Å; Y206-I210 PolarHBondContact O-N 3.49Å; T207-I210 WeakPolarHBondContact O-CA 3.46Å; T207-I210 WeakPolarHBondContact O-CB 3.45Å; T207-I210 PolarHBondContact O-N 2.55Å; I210-K213 PolarHBondContact O-N 3.19Å; I210-S214 WeakPolarHBondContact O-CB 3.45Å; I210-S214 PolarHBondContact O-N 2.96Å
211E91Very high91.2Very high118 Ų118100.6 Ų100.655%0.55151%0.505SS*.Hα-helixtrans-64.7-43.3177.9-70.3170.1-18000111.7T207 A208 K213 S214 A215T207-E211 WeakPolarHBondContact O-CG 3.31Å; T207-E211 PolarHBondContact O-N 2.91Å; A208-E211 PolarHBondContact O-N 3.13Å; E211-K213 PolarHBondContact O-N 3.41Å; E211-S214 PolarHBondContact O-N 3.49Å; E211-S214 PolarHBondContact O-OG 2.94Å; E211-A215 PolarHBondContact O-N 2.76Å
212E91.4Very high91.2Very high129 Ų129100.6 Ų100.660%0.60351%0.506SS*.Hα-helixtrans-61.3-45.1172.9-176.1175-154.300111.6A208 S214 A215 I216A208-E212 PolarHBondContact O-N 2.88Å; E212-S214 VanDerWaalsContact C-N 3.32Å; E212-S214 PolarHBondContact O-N 3.19Å; E212-A215 PolarHBondContact O-N 3.02Å; E212-I216 HydrophobicContact CG-CD1 4.11Å; E212-I216 WeakPolarHBondContact O-CG1 3.29Å; E212-I216 PolarHBondContact O-N 2.76Å
213K91.1Very high91.3Very high135 Ų135100.8 Ų100.859%0.58751%0.506SS*.Hα-helixtrans-61.9-37.7175-179.2179.3176-177.60112.2S209 I210 E211 I216 N217S209-K213 VanDerWaalsContact O-CB 3.28Å; S209-K213 WeakPolarHBondContact O-CB 3.25Å; S209-K213 PolarHBondContact O-N 3.45Å; S209-K213 VanDerWaalsContact O-N 3.1Å; I210-K213 PolarHBondContact O-N 3.19Å; E211-K213 PolarHBondContact O-N 3.41Å; K213-I216 PolarHBondContact O-N 2.85Å; K213-N217 WeakPolarHBondContact O-CB 3.46Å; K213-N217 PolarHBondContact O-N 3.09Å
214S87.2Confident91.3Very high71 Ų7197.6 Ų97.650%0.49750%0.499SS..Hα-helixtrans-69.6-38.3178.378.40000111.4I210 E211 E212 N217 G218I210-S214 WeakPolarHBondContact O-CB 3.45Å; I210-S214 PolarHBondContact O-N 2.96Å; E211-S214 PolarHBondContact O-N 3.49Å; E211-S214 PolarHBondContact O-OG 2.94Å; E212-S214 VanDerWaalsContact C-N 3.32Å; E212-S214 PolarHBondContact O-N 3.19Å; S214-N217 PolarHBondContact O-N 2.85Å; S214-G218 PolarHBondContact O-N 3.08Å
215A92.9Very high91.3Very high50 Ų5097.1 Ų97.141%0.41350%0.497SS..Hα-helixtrans-64.6-38.5172.900000112.8E211 E212 G218 R219E211-A215 PolarHBondContact O-N 2.76Å; E212-A215 PolarHBondContact O-N 3.02Å; A215-G218 PolarHBondContact O-N 3.24Å; A215-R219 WeakPolarHBondContact O-CG 3.31Å; A215-R219 PolarHBondContact O-N 3.15Å
216I93.1Very high91.3Very high87 Ų8795.1 Ų95.145%0.44649%0.494SS..Hα-helixtrans-66-44.5172.8-67.9165.7000110.7E212 K213 G218 R219 L220E212-I216 HydrophobicContact CG-CD1 4.11Å; E212-I216 WeakPolarHBondContact O-CG1 3.29Å; E212-I216 PolarHBondContact O-N 2.76Å; K213-I216 PolarHBondContact O-N 2.85Å; I216-G218 VanDerWaalsContact C-N 3.3Å; I216-G218 PolarHBondContact O-N 3.47Å; I216-R219 PolarHBondContact O-N 2.74Å; I216-L220 WeakPolarHBondContact O-CB 3.27Å; I216-L220 PolarHBondContact O-N 2.86Å
217N89Confident91.3Very high88 Ų8891 Ų9147%0.47149%0.485SS..Hα-helixtrans-61.5-36.4175.8-81.8-0.5000112.5K213 S214 L220 H221K213-N217 WeakPolarHBondContact O-CB 3.46Å; K213-N217 PolarHBondContact O-N 3.09Å; S214-N217 PolarHBondContact O-N 2.85Å; N217-L220 PolarHBondContact O-N 2.6Å; N217-H221 WeakPolarHBondContact O-CB 3.26Å; N217-H221 PolarHBondContact O-N 2.97Å
218G92.4Very high91.3Very high31 Ų3195.1 Ų95.132%0.3249%0.494SS..Hα-helixtrans-58.2-55.4172.500000111.4S214 A215 I216 L220 H221 D222S214-G218 PolarHBondContact O-N 3.08Å; A215-G218 PolarHBondContact O-N 3.24Å; I216-G218 VanDerWaalsContact C-N 3.3Å; I216-G218 PolarHBondContact O-N 3.47Å; G218-L220 PolarHBondContact O-N 2.8Å; G218-H221 CarbonylContact O-C 3.6Å; G218-H221 WeakPolarHBondContact O-CA 3.46Å; G218-H221 WeakPolarHBondContact O-CB 3.45Å; G218-H221 PolarHBondContact O-N 2.73Å; G218-D222 VanDerWaalsContact O-CG 3.24Å; G218-D222 PolarHBondContact O-N 3.08Å
219R94.6Very high91.2Very high182 Ų18298.8 Ų98.869%0.68750%0.503SS*.Hα-helixtrans-57.1-35.1176.6-63.8172.8-169.7175.85.1113.1A215 I216 L223A215-R219 WeakPolarHBondContact O-CG 3.31Å; A215-R219 PolarHBondContact O-N 3.15Å; I216-R219 PolarHBondContact O-N 2.74Å; R219-L223 WeakPolarHBondContact O-CB 3.44Å; R219-L223 PolarHBondContact O-N 3.49Å
220L91.3Very high91.1Very high87 Ų87100.7 Ų100.746%0.45551%0.506SS..Hα-helixtrans-69.4-40.7175.8-161.4167.1000110.9I216 N217 G218 L223 N224I216-L220 WeakPolarHBondContact O-CB 3.27Å; I216-L220 PolarHBondContact O-N 2.86Å; N217-L220 PolarHBondContact O-N 2.6Å; G218-L220 PolarHBondContact O-N 2.8Å; L220-L223 PolarHBondContact O-N 3.1Å; L220-N224 WeakPolarHBondContact CD2-ND2 3.46Å; L220-N224 WeakPolarHBondContact O-CB 3.36Å; L220-N224 PolarHBondContact O-N 3.01Å
221H92.7Very high91Very high124 Ų124101 Ų10157%0.57451%0.506SS*.Hα-helixtrans-63.5-44.7173.5-171.474.2000111.9N217 G218 L223 N224 L225N217-H221 WeakPolarHBondContact O-CB 3.26Å; N217-H221 PolarHBondContact O-N 2.97Å; G218-H221 CarbonylContact O-C 3.6Å; G218-H221 WeakPolarHBondContact O-CA 3.46Å; G218-H221 WeakPolarHBondContact O-CB 3.45Å; G218-H221 PolarHBondContact O-N 2.73Å; H221-L223 VanDerWaalsContact C-N 3.29Å; H221-L223 PolarHBondContact O-N 3.29Å; H221-N224 PolarHBondContact O-N 3Å; H221-L225 WeakPolarHBondContact O-CB 3.47Å; H221-L225 PolarHBondContact O-N 3.3Å
222D92.3Very high90.7Very high90 Ų9099.5 Ų99.548%0.48151%0.505SS..Hα-helixtrans-60.2-38.5175.8-57.8-33.3000111.9G218 Q226G218-D222 VanDerWaalsContact O-CG 3.24Å; G218-D222 PolarHBondContact O-N 3.08Å; D222-Q226 WeakPolarHBondContact O-CG 3.45Å; D222-Q226 PolarHBondContact O-N 2.91Å; D222-Q226 PolarHBondContact O-NE2 2.82Å
223L93.5Very high90.4Very high104 Ų10497.4 Ų97.455%0.54550%0.498SS..Hα-helixtrans-70.4-42.5175.4-166.476.4000111.8R219 L220 H221 L225 Q226 V227R219-L223 WeakPolarHBondContact O-CB 3.44Å; R219-L223 PolarHBondContact O-N 3.49Å; L220-L223 PolarHBondContact O-N 3.1Å; H221-L223 VanDerWaalsContact C-N 3.29Å; H221-L223 PolarHBondContact O-N 3.29Å; L223-L225 VanDerWaalsContact C-N 3.29Å; L223-L225 PolarHBondContact O-N 3.14Å; L223-Q226 WeakPolarHBondContact O-CB 3.34Å; L223-Q226 PolarHBondContact O-N 3.4Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.84Å
224N89.6Confident89.9Confident73 Ų7395.9 Ų95.939%0.3950%0.496SS..Hα-helixtrans-62.1-37.2174.3-84-11.8000111.7L220 H221 V227 Y228L220-N224 WeakPolarHBondContact CD2-ND2 3.46Å; L220-N224 WeakPolarHBondContact O-CB 3.36Å; L220-N224 PolarHBondContact O-N 3.01Å; H221-N224 PolarHBondContact O-N 3Å; N224-V227 PolarHBondContact O-N 3.09Å; N224-Y228 WeakPolarHBondContact O-CD2 3.32Å; N224-Y228 PolarHBondContact O-N 2.93Å
225L91.5Very high89.6Confident102 Ų10297.9 Ų97.953%0.53450%0.497SS..Hα-helixtrans-62.4-42.7176.5-17364.2000111.3H221 L223 Y228 Q229H221-L225 WeakPolarHBondContact O-CB 3.47Å; H221-L225 PolarHBondContact O-N 3.3Å; L223-L225 VanDerWaalsContact C-N 3.29Å; L223-L225 PolarHBondContact O-N 3.14Å; L225-Y228 PolarHBondContact O-N 3.28Å; L225-Q229 WeakPolarHBondContact O-CB 3.29Å; L225-Q229 PolarHBondContact O-N 2.67Å
226Q92.3Very high88.9Confident109 Ų10998.7 Ų98.751%0.50950%0.5SS..Hα-helixtrans-61.5-41.7172.4-70.1162.477.200112D222 L223 Q229 L230D222-Q226 WeakPolarHBondContact O-CG 3.45Å; D222-Q226 PolarHBondContact O-N 2.91Å; D222-Q226 PolarHBondContact O-NE2 2.82Å; L223-Q226 WeakPolarHBondContact O-CB 3.34Å; L223-Q226 PolarHBondContact O-N 3.4Å; Q226-Q229 PolarHBondContact O-N 2.91Å; Q226-L230 WeakPolarHBondContact O-CG 3.43Å; Q226-L230 PolarHBondContact O-N 3.03Å
227V90.6Very high87.9Confident64 Ų6499.2 Ų99.239%0.38850%0.502SS..Hα-helixtrans-64.1-42.7175.2172.60000111.5L223 N224 Q229 L230 Q231L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.84Å; N224-V227 PolarHBondContact O-N 3.09Å; V227-Q229 VanDerWaalsContact C-N 3.34Å; V227-Q229 PolarHBondContact O-N 3.45Å; V227-L230 PolarHBondContact O-N 3.11Å; V227-Q231 HydrophobicContact CG1-CG 4.44Å; V227-Q231 WeakPolarHBondContact O-CB 3.33Å; V227-Q231 VanDerWaalsContact O-CG 3.3Å; V227-Q231 WeakPolarHBondContact O-CG 3.44Å; V227-Q231 PolarHBondContact O-N 3.3Å
228Y88.6Confident87.2Confident149 Ų149100.7 Ų100.758%0.58451%0.507SS*.Hα-helixtrans-64.4-37.1175.3-84.1-61.8000112.4N224 L225 Q231 T232N224-Y228 WeakPolarHBondContact O-CD2 3.32Å; N224-Y228 PolarHBondContact O-N 2.93Å; L225-Y228 PolarHBondContact O-N 3.28Å; Y228-Q231 PolarHBondContact O-N 3.16Å; Y228-T232 WeakPolarHBondContact O-CB 3.44Å; Y228-T232 PolarHBondContact O-N 3.44Å; Y228-T232 PolarHBondContact O-OG1 2.93Å
229Q90.8Very high85.9Confident126 Ų126105.7 Ų105.759%0.58952%0.523SS*.Hα-helixtrans-66-49.1177-168.3163.3-0.700110.6L225 Q226 V227 Q231 T232 D233L225-Q229 WeakPolarHBondContact O-CB 3.29Å; L225-Q229 PolarHBondContact O-N 2.67Å; Q226-Q229 PolarHBondContact O-N 2.91Å; V227-Q229 VanDerWaalsContact C-N 3.34Å; V227-Q229 PolarHBondContact O-N 3.45Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.19Å; Q229-T232 WeakPolarHBondContact O-CA 3.2Å; Q229-T232 WeakPolarHBondContact O-CB 3.32Å; Q229-T232 PolarHBondContact O-N 3.15Å; Q229-D233 PolarHBondContact O-N 2.99Å
230L88.3Confident84.6Confident112 Ų112103.3 Ų103.359%0.58652%0.52SS*.Hα-helixtrans-60.5-36.5173.8-68.4170.3000113.2Q226 V227 T232 L234Q226-L230 WeakPolarHBondContact O-CG 3.43Å; Q226-L230 PolarHBondContact O-N 3.03Å; V227-L230 PolarHBondContact O-N 3.11Å; L230-T232 VanDerWaalsContact C-N 3.34Å; L230-L234 WeakPolarHBondContact O-CB 3.41Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.22Å; L230-L234 PolarHBondContact O-N 2.93Å
231Q88Confident82.8Confident91 Ų91103.9 Ų103.943%0.42552%0.523SS..Hα-helixtrans-67.1-35172.2-78.3-179.31.700112.3V227 Y228 Q229 L234 Q235V227-Q231 HydrophobicContact CG1-CG 4.44Å; V227-Q231 WeakPolarHBondContact O-CB 3.33Å; V227-Q231 VanDerWaalsContact O-CG 3.3Å; V227-Q231 WeakPolarHBondContact O-CG 3.44Å; V227-Q231 PolarHBondContact O-N 3.3Å; Y228-Q231 PolarHBondContact O-N 3.16Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.19Å; Q231-L234 PolarHBondContact O-N 3.42Å; Q231-Q235 WeakPolarHBondContact O-CB 3.4Å; Q231-Q235 VanDerWaalsContact O-CG 3.29Å; Q231-Q235 WeakPolarHBondContact O-CG 3.37Å; Q231-Q235 PolarHBondContact O-N 3.11Å
232T84.2Confident81.1Confident85 Ų85101.3 Ų101.352%0.52151%0.512SS..Hα-helixtrans-69.7-41.3177.8-56.10000110.6Y228 Q229 L230 Q235 S236Y228-T232 WeakPolarHBondContact O-CB 3.44Å; Y228-T232 PolarHBondContact O-N 3.44Å; Y228-T232 PolarHBondContact O-OG1 2.93Å; Q229-T232 WeakPolarHBondContact O-CA 3.2Å; Q229-T232 WeakPolarHBondContact O-CB 3.32Å; Q229-T232 PolarHBondContact O-N 3.15Å; L230-T232 VanDerWaalsContact C-N 3.34Å; T232-Q235 CarbonylContact O-C 3.49Å; T232-Q235 PolarHBondContact O-N 3.46Å; T232-S236 PolarHBondContact O-N 3.08Å
233D83.8Confident79.3Confident86 Ų86106 Ų10646%0.4653%0.528SS..Hα-helixtrans-61.4-45.9173.8-62.6-29000111Q229 Q235 S236 I237Q229-D233 PolarHBondContact O-N 2.99Å; D233-Q235 PolarHBondContact O-N 3.48Å; D233-S236 WeakPolarHBondContact O-CB 3.28Å; D233-S236 PolarHBondContact O-N 3.11Å; D233-I237 WeakPolarHBondContact O-CG1 3.46Å; D233-I237 PolarHBondContact O-N 3.37Å; D233-I237 VanDerWaalsContact O-N 3.15Å
234L81.4Confident77.1Confident103 Ų103109.2 Ų109.254%0.53954%0.54SS..Hα-helixtrans-62.4-39.9173.5-73.7170.4000112.7L230 Q231 I237 Q238L230-L234 WeakPolarHBondContact O-CB 3.41Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.22Å; L230-L234 PolarHBondContact O-N 2.93Å; Q231-L234 PolarHBondContact O-N 3.42Å; L234-I237 PolarHBondContact O-N 3.29Å; L234-Q238 WeakPolarHBondContact O-CG 3.27Å; L234-Q238 PolarHBondContact O-N 3.49Å
235Q79.9Confident75.1Confident113 Ų113112.4 Ų112.453%0.52855%0.55SS.*Hα-helixtrans-70.7-31.6176.7-78.8-179.412.100112.4Q231 T232 D233 Q238 M239Q231-Q235 WeakPolarHBondContact O-CB 3.4Å; Q231-Q235 VanDerWaalsContact O-CG 3.29Å; Q231-Q235 WeakPolarHBondContact O-CG 3.37Å; Q231-Q235 PolarHBondContact O-N 3.11Å; T232-Q235 CarbonylContact O-C 3.49Å; T232-Q235 PolarHBondContact O-N 3.46Å; D233-Q235 PolarHBondContact O-N 3.48Å; Q235-Q238 PolarHBondContact O-N 2.66Å; Q235-M239 VanDerWaalsContact O-CB 3.26Å; Q235-M239 WeakPolarHBondContact O-CB 3.32Å; Q235-M239 WeakPolarHBondContact O-CG 3.36Å; Q235-M239 PolarHBondContact O-N 3.26Å
236S78.4Confident73.2Confident66 Ų66114.9 Ų114.946%0.46256%0.559SS.*Hα-helixtrans-60.4-50.5171.2-167.30000110.2T232 D233 Q238 M239 E240T232-S236 PolarHBondContact O-N 3.08Å; D233-S236 WeakPolarHBondContact O-CB 3.28Å; D233-S236 PolarHBondContact O-N 3.11Å; S236-Q238 VanDerWaalsContact C-N 3.28Å; S236-Q238 PolarHBondContact O-N 3.44Å; S236-M239 PolarHBondContact O-N 3.33Å; S236-M239 VanDerWaalsContact O-N 3.1Å; S236-E240 WeakPolarHBondContact O-CG 3.42Å; S236-E240 PolarHBondContact O-N 2.91Å
237I73.9Confident71.1Confident98 Ų98121.8 Ų121.850%0.50358%0.581SS.*Hα-helixtrans-59.8-36.5175.9-63.6163.2000111.5D233 L234 N241D233-I237 WeakPolarHBondContact O-CG1 3.46Å; D233-I237 PolarHBondContact O-N 3.37Å; D233-I237 VanDerWaalsContact O-N 3.15Å; L234-I237 PolarHBondContact O-N 3.29Å; I237-N241 PolarHBondContact O-ND2 3.05Å
238Q73.7Confident68.9Low119 Ų119123.2 Ų123.256%0.55659%0.593SS**Hα-helixtrans-73.9-35.5174.9-72.4174.61.100113.3L234 Q235 S236 N241 E242L234-Q238 WeakPolarHBondContact O-CG 3.27Å; L234-Q238 PolarHBondContact O-N 3.49Å; Q235-Q238 PolarHBondContact O-N 2.66Å; S236-Q238 VanDerWaalsContact C-N 3.28Å; S236-Q238 PolarHBondContact O-N 3.44Å; Q238-N241 CarbonylContact O-C 3.48Å; Q238-N241 WeakPolarHBondContact O-CA 3.29Å; Q238-N241 WeakPolarHBondContact O-CB 3.47Å; Q238-N241 PolarHBondContact O-N 2.87Å; Q238-N241 VanDerWaalsContact O-N 3.09Å; Q238-E242 PolarHBondContact O-N 3.23Å
239M64.9Low66.7Low136 Ų136124.3 Ų124.367%0.6761%0.608SS**Hα-helixtrans-71.9-33.8178.4-74.4-106.4-75.800111.7Q235 S236 N241 E242 F243Q235-M239 VanDerWaalsContact O-CB 3.26Å; Q235-M239 WeakPolarHBondContact O-CB 3.32Å; Q235-M239 WeakPolarHBondContact O-CG 3.36Å; Q235-M239 PolarHBondContact O-N 3.26Å; S236-M239 PolarHBondContact O-N 3.33Å; S236-M239 VanDerWaalsContact O-N 3.1Å; M239-N241 PolarHBondContact O-N 2.73Å; M239-E242 PolarHBondContact O-N 2.96Å; M239-F243 WeakPolarHBondContact O-CB 3.45Å; M239-F243 PolarHBondContact O-N 2.73Å
240E66.6Low64.4Low132 Ų132129.7 Ų129.762%0.61762%0.623SS**Hα-helixtrans-57.4-36.1166.1-70.9-180152.400111.3S236 H244S236-E240 WeakPolarHBondContact O-CG 3.42Å; S236-E240 PolarHBondContact O-N 2.91Å; E240-H244 PolarHBondContact O-CD2 2.94Å
241N53.8Low62Low99 Ų99129.6 Ų129.653%0.52963%0.632SS.*Hα-helixtrans-79.9-27.1177-80-88.7000114.9I237 Q238 M239I237-N241 PolarHBondContact O-ND2 3.05Å; Q238-N241 CarbonylContact O-C 3.48Å; Q238-N241 WeakPolarHBondContact O-CA 3.29Å; Q238-N241 WeakPolarHBondContact O-CB 3.47Å; Q238-N241 PolarHBondContact O-N 2.87Å; Q238-N241 VanDerWaalsContact O-N 3.09Å; M239-N241 PolarHBondContact O-N 2.73Å
242E56.8Low59.5Low70 Ų70131.4 Ų131.433%0.32765%0.649SS.*Hα-helixtrans-96.5-24.9179.8-77.1-63.6134.500114.1Q238 M239 H244 K245 Q246Q238-E242 PolarHBondContact O-N 3.23Å; M239-E242 PolarHBondContact O-N 2.96Å; E242-H244 PolarHBondContact O-N 2.93Å; E242-K245 WeakPolarHBondContact O-CA 3.25Å; E242-K245 PolarHBondContact O-N 3.06Å; E242-K245 WeakPolarHBondContact OE1-CD 3.21Å; E242-K245 WeakPolarHBondContact OE1-CE 3.49Å; E242-K245 IonicContact OE1-NZ 2.78Å; E242-K245 PolarHBondContact OE1-NZ 2.83Å; E242-Q246 PolarHBondContact O-N 3.37Å; E242-Q246 PolarHBondContact OE2-NE2 3.14Å; E242-Q246 VanDerWaalsContact OE2-NE2 3.1Å
243F54.8Low57.3Low190 Ų190132 Ų13283%0.83366%0.657SS**Hα-helixtrans-62.8-25.3170-170.2-98.7000111.4M239 K245M239-F243 WeakPolarHBondContact O-CB 3.45Å; M239-F243 PolarHBondContact O-N 2.73Å; F243-K245 PolarHBondContact O-N 3.43Å
244H46.3Very low55Low171 Ų171132.8 Ų132.879%0.79267%0.669SS**THydrogen-bonded Turntrans-63.6-17.6166.6-87.9-59.2000114.7E240 E242E240-H244 PolarHBondContact O-CD2 2.94Å; E242-H244 PolarHBondContact O-N 2.93Å
245K47.6Very low52.7Low139 Ų139133 Ų13360%0.60468%0.679SS**THydrogen-bonded Turntrans-111.5-49.6-171.4-61.4-178.8-164.8163.70114.6E242 F243 R247E242-K245 WeakPolarHBondContact O-CA 3.25Å; E242-K245 PolarHBondContact O-N 3.06Å; E242-K245 WeakPolarHBondContact OE1-CD 3.21Å; E242-K245 WeakPolarHBondContact OE1-CE 3.49Å; E242-K245 IonicContact OE1-NZ 2.78Å; E242-K245 PolarHBondContact OE1-NZ 2.83Å; F243-K245 PolarHBondContact O-N 3.43Å; K245-R247 PolarHBondContact O-N 3.02Å
246Q52.2Low50.6Low154 Ų154135.5 Ų135.572%0.7269%0.69SS**  trans-96.546-158.4-58.6-162.119.200116E242 S248E242-Q246 PolarHBondContact O-N 3.37Å; E242-Q246 PolarHBondContact OE2-NE2 3.14Å; E242-Q246 VanDerWaalsContact OE2-NE2 3.1Å; Q246-S248 PolarHBondContact O-N 2.72Å
247R48.5Very low48.3Very low255 Ų255138.4 Ų138.496%0.96271%0.706SS**  trans-77.835.5177.5-151.9176.1-170.5172.73.7113.5K245K245-R247 PolarHBondContact O-N 3.02Å
248S43.8Very low47.1Very low93 Ų93138.5 Ų138.565%0.6571%0.713SS**  trans-142.890.6-155.2-152.10000118Q246Q246-S248 PolarHBondContact O-N 2.72Å
249L43.7Very low45.4Very low172 Ų172140.8 Ų140.890%0.90172%0.723SS**  trans77154.4145.1-49.3177.4000122.1
250R41.2Very low44.2Very low239 Ų239140.8 Ų140.890%0.90273%0.725SS**  trans-170.2156.6-166.9-148.7-178.7-171.2-165.64.3117.3
251S37.8Very low42.9Very low110 Ų110141 Ų14177%0.76973%0.727SS**  trans83.3162.3148.886.80000122.1
252V37Very low42.4Very low130 Ų130144 Ų14479%0.78874%0.737SS**  cis-174.1146.3-13.7126.40000117.8
253S37.2Very low42Very low98 Ų98146.2 Ų146.269%0.68575%0.748SS**  trans61143.4146.174.90000132.9
254S34.6Very low41.8Very low101 Ų101140.1 Ų140.171%0.70673%0.732SS**  84.2148.8123.661.60000130.9
255S34.3Very low41.9Very low107 Ų107141 Ų14175%0.74874%0.736SS**  trans85.9164.6146.172.20000125.7
256Q34.5Very low42.3Very low166 Ų166139.7 Ų139.778%0.77673%0.73SS**  -176.5145.1-61.4-102.6159.2-101.800119.8
257T31.8Very low42.4Very low128 Ų128135.9 Ų135.979%0.78572%0.715SS**  trans930144.965.40000124.7
258P48.6Very low42.6Very low100 Ų100130.1 Ų130.165%0.64970%0.702SS**  0-156.6041.9-14.3000121.5
259Q37.3Very low43.2Very low166 Ų166132.4 Ų132.478%0.77671%0.706SS**  trans80.1169.6160-66.7165.9-110.900121.6
260L39.3Very low44Very low136 Ų136129.5 Ų129.571%0.71269%0.688SS**  cis-171.5-178-38.1-86.4-179.2000108.3
261Q38.9Very low45.1Very low138 Ų138123.5 Ų123.565%0.64567%0.67SS**  cis-164.9172-1.9-131.9176.1-55.600111.5E263Q261-E263 WeakPolarHBondContact CG-OE1 3.35Å; Q261-E263 WeakPolarHBondContact CG-OE2 3.44Å; Q261-E263 VanDerWaalsContact NE2-CD 3.33Å; Q261-E263 PolarHBondContact NE2-OE1 3.26Å; Q261-E263 PolarHBondContact NE2-OE2 3.29Å
262E43.7Very low46.4Very low160 Ų160124 Ų12475%0.74866%0.664SS**  trans-170.4113.8167-166.9-176.7-118.500116.1K266E262-K266 PolarHBondContact O-NZ 2.83Å
263E47.9Very low47.7Very low118 Ų118122.8 Ų122.855%0.55165%0.653SS**  trans-143.2169.3-173.6-6794.9159.500115.5Q261Q261-E263 WeakPolarHBondContact CG-OE1 3.35Å; Q261-E263 WeakPolarHBondContact CG-OE2 3.44Å; Q261-E263 VanDerWaalsContact NE2-CD 3.33Å; Q261-E263 PolarHBondContact NE2-OE1 3.26Å; Q261-E263 PolarHBondContact NE2-OE2 3.29Å
264A52.7Low49.1Very low61 Ų61119.7 Ų119.750%0.50463%0.633SS.*SBendtrans132.4-52.4163.400000114.6D267A264-D267 WeakPolarHBondContact CA-OD1 3.29Å; A264-D267 PolarHBondContact N-OD1 3.25Å; A264-D267 WeakPolarHBondContact O-CB 3.21Å
265H46.7Very low51Low191 Ų191120.5 Ų120.588%0.88463%0.626SS**SBendtrans-85.8-5.6-177.5-93.1-71.6000114.4
266K56.7Low52.8Low110 Ų110117.9 Ų117.948%0.47861%0.611SS.*SBendtrans-72.5-40.1168.1-64.4162.3-172.6158.40109.6E262 I268 L269 Q270E262-K266 PolarHBondContact O-NZ 2.83Å; K266-I268 VanDerWaalsContact C-N 3.34Å; K266-I268 PolarHBondContact O-N 3.37Å; K266-I268 VanDerWaalsContact O-N 3.11Å; K266-L269 PolarHBondContact O-N 2.85Å; K266-L269 VanDerWaalsContact O-N 3.1Å; K266-Q270 WeakPolarHBondContact O-CB 3.42Å; K266-Q270 PolarHBondContact O-N 2.97Å
267D55Low54.7Low74 Ų74113.7 Ų113.740%0.39659%0.593SS.*Hα-helixtrans-55.6-37-157-51.913000114.6A264 Q270 Q271A264-D267 WeakPolarHBondContact CA-OD1 3.29Å; A264-D267 PolarHBondContact N-OD1 3.25Å; A264-D267 WeakPolarHBondContact O-CB 3.21Å; D267-Q270 CarbonylContact O-C 3.6Å; D267-Q270 VanDerWaalsContact O-CB 3.28Å; D267-Q270 WeakPolarHBondContact O-CB 3.39Å; D267-Q270 PolarHBondContact O-N 3.07Å; D267-Q271 WeakPolarHBondContact O-CB 3.44Å; D267-Q271 PolarHBondContact O-N 3.04Å
268I51.9Low56.8Low135 Ų135111.6 Ų111.669%0.69258%0.577SS**Hα-helixtrans-74-43.3-179.1-58.3175000111.6K266 Q270 Q271 D272K266-I268 VanDerWaalsContact C-N 3.34Å; K266-I268 PolarHBondContact O-N 3.37Å; K266-I268 VanDerWaalsContact O-N 3.11Å; I268-Q270 PolarHBondContact O-N 3.09Å; I268-Q271 PolarHBondContact O-N 3.31Å; I268-D272 PolarHBondContact O-N 3.47Å
269L57.2Low58.1Low141 Ų141110.1 Ų110.174%0.73857%0.569SS**Hα-helixtrans-70.3-25.5170-83.2167.7000111.6K266 Q271 L273K266-L269 PolarHBondContact O-N 2.85Å; K266-L269 VanDerWaalsContact O-N 3.1Å; L269-Q271 VanDerWaalsContact C-N 3.31Å; L269-L273 WeakPolarHBondContact O-CB 3.41Å; L269-L273 PolarHBondContact O-N 3.21Å
270Q59.8Low59.9Low110 Ų110109 Ų10951%0.51456%0.564SS.*Hα-helixtrans-69.4-28.8172.2-145.9170.9-84.800111.5K266 D267 I268 A274K266-Q270 WeakPolarHBondContact O-CB 3.42Å; K266-Q270 PolarHBondContact O-N 2.97Å; D267-Q270 CarbonylContact O-C 3.6Å; D267-Q270 VanDerWaalsContact O-CB 3.28Å; D267-Q270 WeakPolarHBondContact O-CB 3.39Å; D267-Q270 PolarHBondContact O-N 3.07Å; I268-Q270 PolarHBondContact O-N 3.09Å; Q270-A274 WeakPolarHBondContact O-CA 3.41Å; Q270-A274 WeakPolarHBondContact O-CB 3.33Å; Q270-A274 PolarHBondContact O-N 2.9Å
271Q64.4Low62Low114 Ų114105.5 Ų105.553%0.53355%0.548SS..Hα-helixtrans-79.1-49.9-177.8-174.2169.1-14.400112.9D267 I268 L269 L273 A274 E275D267-Q271 WeakPolarHBondContact O-CB 3.44Å; D267-Q271 PolarHBondContact O-N 3.04Å; I268-Q271 PolarHBondContact O-N 3.31Å; L269-Q271 VanDerWaalsContact C-N 3.31Å; Q271-L273 PolarHBondContact O-N 3.47Å; Q271-A274 CarbonylContact O-C 3.18Å; Q271-A274 WeakPolarHBondContact O-CA 3.44Å; Q271-A274 WeakPolarHBondContact O-CB 3.39Å; Q271-A274 PolarHBondContact O-N 2.88Å; Q271-E275 PolarHBondContact NE2-OE1 3.31Å; Q271-E275 VanDerWaalsContact NE2-OE1 3.09Å; Q271-E275 PolarHBondContact O-N 2.85Å
272D63.9Low64Low119 Ų119104.9 Ų104.964%0.63655%0.545SS*.Hα-helixtrans-61-34174.1-72.1-5.8000111.2I268 A276I268-D272 PolarHBondContact O-N 3.47Å; D272-A276 WeakPolarHBondContact O-CB 3.34Å; D272-A276 PolarHBondContact O-N 2.8Å
273L66.2Low65.6Low105 Ų105102.7 Ų102.755%0.5554%0.538SS..Hα-helixtrans-70.3-39.2172.3-168.883.9000111.7L269 Q271 I277L269-L273 WeakPolarHBondContact O-CB 3.41Å; L269-L273 PolarHBondContact O-N 3.21Å; Q271-L273 PolarHBondContact O-N 3.47Å; L273-I277 HydrophobicContact CD2-CD1 3.99Å; L273-I277 HydrophobicContact CG-CD1 3.8Å; L273-I277 HydrophobicContact CG-CG1 4.49Å; L273-I277 WeakPolarHBondContact O-CB 3.34Å; L273-I277 WeakPolarHBondContact O-CG1 3.3Å; L273-I277 PolarHBondContact O-N 2.86Å
274A66.3Low67.3Low34 Ų3499.7 Ų99.728%0.28153%0.533SS..Hα-helixtrans-63.8-53176.700000110.6Q270 Q271 A276 I277 D278Q270-A274 WeakPolarHBondContact O-CA 3.41Å; Q270-A274 WeakPolarHBondContact O-CB 3.33Å; Q270-A274 PolarHBondContact O-N 2.9Å; Q271-A274 CarbonylContact O-C 3.18Å; Q271-A274 WeakPolarHBondContact O-CA 3.44Å; Q271-A274 WeakPolarHBondContact O-CB 3.39Å; Q271-A274 PolarHBondContact O-N 2.88Å; A274-A276 PolarHBondContact O-N 3.44Å; A274-A276 VanDerWaalsContact O-N 3.15Å; A274-I277 CarbonylContact O-C 3.54Å; A274-I277 WeakPolarHBondContact O-CA 3.19Å; A274-I277 PolarHBondContact O-N 3.1Å; A274-D278 WeakPolarHBondContact O-CB 3.43Å; A274-D278 PolarHBondContact O-N 3.34Å
275E73.8Confident68.8Low117 Ų117102.3 Ų102.355%0.54754%0.535SS..Hα-helixtrans-59.2-34.3-179.3-66.4179.6-157.400112Q271 S279Q271-E275 PolarHBondContact NE2-OE1 3.31Å; Q271-E275 VanDerWaalsContact NE2-OE1 3.09Å; Q271-E275 PolarHBondContact O-N 2.85Å; E275-S279 PolarHBondContact O-N 2.63Å; E275-S279 PolarHBondContact O-OG 2.84Å
276A72.4Confident70.6Confident53 Ų5398.6 Ų98.644%0.43852%0.518SS..Hα-helixtrans-70.3-39.8171.700000113.6D272 A274 S279 Q280D272-A276 WeakPolarHBondContact O-CB 3.34Å; D272-A276 PolarHBondContact O-N 2.8Å; A274-A276 PolarHBondContact O-N 3.44Å; A274-A276 VanDerWaalsContact O-N 3.15Å; A276-S279 PolarHBondContact O-OG 3.11Å; A276-Q280 PolarHBondContact O-N 3.03Å
277I74.4Confident72Confident78 Ų7897.8 Ų97.840%0.452%0.518SS..Hα-helixtrans-67.8-44.2174.3-75.9169.1000110.6L273 A274 S279 Q280 V281L273-I277 HydrophobicContact CD2-CD1 3.99Å; L273-I277 HydrophobicContact CG-CD1 3.8Å; L273-I277 HydrophobicContact CG-CG1 4.49Å; L273-I277 WeakPolarHBondContact O-CB 3.34Å; L273-I277 WeakPolarHBondContact O-CG1 3.3Å; L273-I277 PolarHBondContact O-N 2.86Å; A274-I277 CarbonylContact O-C 3.54Å; A274-I277 WeakPolarHBondContact O-CA 3.19Å; A274-I277 PolarHBondContact O-N 3.1Å; I277-S279 PolarHBondContact O-N 2.98Å; I277-Q280 CarbonylContact O-C 3.44Å; I277-Q280 WeakPolarHBondContact O-CA 3.5Å; I277-Q280 WeakPolarHBondContact O-CB 3.25Å; I277-Q280 PolarHBondContact O-N 3.01Å; I277-V281 HydrophobicContact CG2-CG2 3.84Å; I277-V281 WeakPolarHBondContact O-CG2 3.35Å; I277-V281 PolarHBondContact O-N 2.91Å
278D76.4Confident73.5Confident84 Ų8499.7 Ų99.745%0.44952%0.523SS..Hα-helixtrans-60.3-45.3-177.6-67.8-24.1000110A274 Q280 V281 E282A274-D278 WeakPolarHBondContact O-CB 3.43Å; A274-D278 PolarHBondContact O-N 3.34Å; D278-Q280 VanDerWaalsContact C-N 3.27Å; D278-Q280 PolarHBondContact O-N 2.95Å; D278-V281 CarbonylContact O-C 3.57Å; D278-V281 PolarHBondContact O-N 3.49Å; D278-E282 WeakPolarHBondContact O-CG 3.5Å; D278-E282 PolarHBondContact O-N 3.45Å
279S75.3Confident75.2Confident68 Ų6895.5 Ų95.548%0.47651%0.506SS..Hα-helixtrans-63.5-28.1173.268.80000114.2E275 A276 I277 L283E275-S279 PolarHBondContact O-N 2.63Å; E275-S279 PolarHBondContact O-OG 2.84Å; A276-S279 PolarHBondContact O-OG 3.11Å; I277-S279 PolarHBondContact O-N 2.98Å; S279-L283 PolarHBondContact O-N 3.45Å
280Q76.1Confident76.4Confident144 Ų14495.5 Ų95.567%0.67350%0.497SS*.Hα-helixtrans-79.4-32.1170.8-69.5-1702.700112.5A276 I277 D278 A284A276-Q280 PolarHBondContact O-N 3.03Å; I277-Q280 CarbonylContact O-C 3.44Å; I277-Q280 WeakPolarHBondContact O-CA 3.5Å; I277-Q280 WeakPolarHBondContact O-CB 3.25Å; I277-Q280 PolarHBondContact O-N 3.01Å; D278-Q280 VanDerWaalsContact C-N 3.27Å; D278-Q280 PolarHBondContact O-N 2.95Å; Q280-A284 VanDerWaalsContact O-CB 3.24Å; Q280-A284 WeakPolarHBondContact O-CB 3.47Å; Q280-A284 PolarHBondContact O-N 3.48Å
281V81.6Confident77.6Confident61 Ų6198.4 Ų98.437%0.3750%0.503SS..Hα-helixtrans-70-47.3176167.50000109.8I277 D278 L283 A284 E285I277-V281 HydrophobicContact CG2-CG2 3.84Å; I277-V281 WeakPolarHBondContact O-CG2 3.35Å; I277-V281 PolarHBondContact O-N 2.91Å; D278-V281 CarbonylContact O-C 3.57Å; D278-V281 PolarHBondContact O-N 3.49Å; V281-L283 VanDerWaalsContact C-N 3.3Å; V281-L283 PolarHBondContact O-N 3.47Å; V281-A284 CarbonylContact O-C 3.52Å; V281-A284 WeakPolarHBondContact O-CA 3.49Å; V281-A284 PolarHBondContact O-N 3.32Å; V281-E285 HydrophobicContact CG1-CG 4.17Å; V281-E285 WeakPolarHBondContact O-CB 3.29Å; V281-E285 WeakPolarHBondContact O-CG 3.47Å; V281-E285 PolarHBondContact O-N 3.33Å
282E80.8Confident78.8Confident125 Ų12597.8 Ų97.858%0.58450%0.5SS*.Hα-helixtrans-52.8-47.7171.8-73.8-178.6165.800111.2D278 A284 E285 H286D278-E282 WeakPolarHBondContact O-CG 3.5Å; D278-E282 PolarHBondContact O-N 3.45Å; E282-A284 PolarHBondContact O-N 3.43Å; E282-E285 PolarHBondContact O-N 3.36Å; E282-H286 WeakPolarHBondContact O-CB 3.34Å; E282-H286 PolarHBondContact O-CD2 2.88Å; E282-H286 PolarHBondContact O-N 3.01Å
283L79.2Confident80Confident114 Ų11497.1 Ų97.160%0.59749%0.494SS*.Hα-helixtrans-66.3-37.4177.5-17067.6000112.4S279 V281 L287S279-L283 PolarHBondContact O-N 3.45Å; V281-L283 VanDerWaalsContact C-N 3.3Å; V281-L283 PolarHBondContact O-N 3.47Å; L283-L287 WeakPolarHBondContact O-CB 3.4Å; L283-L287 WeakPolarHBondContact O-CG 3.46Å; L283-L287 PolarHBondContact O-N 2.9Å
284A82.7Confident80.8Confident56 Ų5696.7 Ų96.746%0.46349%0.492SS..Hα-helixtrans-70.5-33.8175.200000112.5Q280 V281 E282 L287 K288Q280-A284 VanDerWaalsContact O-CB 3.24Å; Q280-A284 WeakPolarHBondContact O-CB 3.47Å; Q280-A284 PolarHBondContact O-N 3.48Å; V281-A284 CarbonylContact O-C 3.52Å; V281-A284 WeakPolarHBondContact O-CA 3.49Å; V281-A284 PolarHBondContact O-N 3.32Å; E282-A284 PolarHBondContact O-N 3.43Å; A284-L287 PolarHBondContact O-N 3.45Å; A284-K288 WeakPolarHBondContact O-CB 3.43Å; A284-K288 PolarHBondContact O-N 3.28Å
285E85.1Confident81.9Confident115 Ų115100.6 Ų100.654%0.53750%0.504SS..Hα-helixtrans-71.7-39.1174.8-75.5-167.716000111.2V281 E282 K288 S289V281-E285 HydrophobicContact CG1-CG 4.17Å; V281-E285 WeakPolarHBondContact O-CB 3.29Å; V281-E285 WeakPolarHBondContact O-CG 3.47Å; V281-E285 PolarHBondContact O-N 3.33Å; E282-E285 PolarHBondContact O-N 3.36Å; E285-K288 PolarHBondContact O-N 2.89Å; E285-S289 WeakPolarHBondContact O-CB 3.34Å; E285-S289 PolarHBondContact O-N 2.9Å; E285-S289 PolarHBondContact O-OG 3.27Å
286H82.7Confident82.7Confident114 Ų114100.9 Ų100.953%0.52850%0.504SS..Hα-helixtrans-63.1-42.4169.2-78.4-141.7000111.5E282 K288 S289 Y290E282-H286 WeakPolarHBondContact O-CB 3.34Å; E282-H286 PolarHBondContact O-CD2 2.88Å; E282-H286 PolarHBondContact O-N 3.01Å; H286-K288 VanDerWaalsContact C-N 3.29Å; H286-K288 PolarHBondContact O-N 3.2Å; H286-S289 PolarHBondContact O-OG 3Å; H286-S289 VanDerWaalsContact O-OG 3.05Å; H286-Y290 WeakPolarHBondContact O-CB 3.37Å; H286-Y290 WeakPolarHBondContact O-CD2 3.41Å; H286-Y290 PolarHBondContact O-N 3.1Å
287L87.1Confident83.4Confident92 Ų92103.5 Ų103.548%0.48251%0.51SS..Hα-helixtrans-67.8-28174-75.5170.4000113L283 A284 R291L283-L287 WeakPolarHBondContact O-CB 3.4Å; L283-L287 WeakPolarHBondContact O-CG 3.46Å; L283-L287 PolarHBondContact O-N 2.9Å; A284-L287 PolarHBondContact O-N 3.45Å; L287-R291 WeakPolarHBondContact O-CD 3.46Å; L287-R291 WeakPolarHBondContact O-CG 3.46Å; L287-R291 PolarHBondContact O-N 3.36Å
288K86.6Confident84Confident114 Ų114105 Ų10550%0.49652%0.518SS..Hα-helixtrans-75.9-46.9175.2177.5-176.4165.5-167.50111.2A284 E285 H286 Y290 R291 E292A284-K288 WeakPolarHBondContact O-CB 3.43Å; A284-K288 PolarHBondContact O-N 3.28Å; E285-K288 PolarHBondContact O-N 2.89Å; H286-K288 VanDerWaalsContact C-N 3.29Å; H286-K288 PolarHBondContact O-N 3.2Å; K288-Y290 PolarHBondContact O-N 2.87Å; K288-R291 WeakPolarHBondContact O-CA 3.41Å; K288-R291 WeakPolarHBondContact O-CB 3.42Å; K288-R291 PolarHBondContact O-N 2.69Å; K288-E292 WeakPolarHBondContact CE-OE1 3.49Å; K288-E292 WeakPolarHBondContact CG-OE1 3.27Å; K288-E292 WeakPolarHBondContact O-CG 3.35Å; K288-E292 PolarHBondContact O-N 3.12Å
289S86.6Confident84.8Confident48 Ų48108.4 Ų108.434%0.33653%0.525SS..Hα-helixtrans-61.8-44177.164.40000111.1E285 H286 R291 E292 E293E285-S289 WeakPolarHBondContact O-CB 3.34Å; E285-S289 PolarHBondContact O-N 2.9Å; E285-S289 PolarHBondContact O-OG 3.27Å; H286-S289 PolarHBondContact O-OG 3Å; H286-S289 VanDerWaalsContact O-OG 3.05Å; S289-R291 PolarHBondContact O-N 2.98Å; S289-E292 PolarHBondContact O-N 3.31Å; S289-E293 WeakPolarHBondContact O-CB 3.49Å; S289-E293 WeakPolarHBondContact O-CG 3.38Å; S289-E293 PolarHBondContact O-N 2.96Å
290Y83.6Confident85.4Confident140 Ų140109 Ų10955%0.54952%0.523SS..Hα-helixtrans-62.7-27.4173.1-71.6-46.2000113.7H286 K288 N294H286-Y290 WeakPolarHBondContact O-CB 3.37Å; H286-Y290 WeakPolarHBondContact O-CD2 3.41Å; H286-Y290 PolarHBondContact O-N 3.1Å; K288-Y290 PolarHBondContact O-N 2.87Å; Y290-N294 WeakPolarHBondContact O-CB 3.32Å; Y290-N294 PolarHBondContact O-N 3.49Å; Y290-N294 VanDerWaalsContact O-N 3.16Å; Y290-N294 PolarHBondContact O-ND2 3.29Å
291R84.4Confident86Confident171 Ų171108.5 Ų108.565%0.64552%0.518SS*.Hα-helixtrans-74.4-46.7171.4-75.1168.4-175.2179.73.6111.5L287 K288 S289 E293 N294 E295L287-R291 WeakPolarHBondContact O-CD 3.46Å; L287-R291 WeakPolarHBondContact O-CG 3.46Å; L287-R291 PolarHBondContact O-N 3.36Å; K288-R291 WeakPolarHBondContact O-CA 3.41Å; K288-R291 WeakPolarHBondContact O-CB 3.42Å; K288-R291 PolarHBondContact O-N 2.69Å; S289-R291 PolarHBondContact O-N 2.98Å; R291-E293 VanDerWaalsContact C-N 3.3Å; R291-E293 PolarHBondContact O-N 2.97Å; R291-N294 PolarHBondContact O-N 3.33Å; R291-N294 VanDerWaalsContact O-N 3.14Å; R291-E295 WeakPolarHBondContact O-CG 3.19Å; R291-E295 PolarHBondContact O-N 3.35Å
292E89.9Confident86.5Confident101 Ų101110.4 Ų110.447%0.47252%0.523SS..Hα-helixtrans-61.8-37.5177.7-70.7175-176.100111.7K288 S289 K296K288-E292 WeakPolarHBondContact CE-OE1 3.49Å; K288-E292 WeakPolarHBondContact CG-OE1 3.27Å; K288-E292 WeakPolarHBondContact O-CG 3.35Å; K288-E292 PolarHBondContact O-N 3.12Å; S289-E292 PolarHBondContact O-N 3.31Å; E292-K296 VanDerWaalsContact O-CB 3.26Å; E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 PolarHBondContact O-N 2.93Å
293E88.6Confident87Confident106 Ų106105.8 Ų105.850%0.49551%0.509SS..Hα-helixtrans-64.3-44.9170.6-75.5-174.8163.900112.3S289 R291 K296 L297S289-E293 WeakPolarHBondContact O-CB 3.49Å; S289-E293 WeakPolarHBondContact O-CG 3.38Å; S289-E293 PolarHBondContact O-N 2.96Å; R291-E293 VanDerWaalsContact C-N 3.3Å; R291-E293 PolarHBondContact O-N 2.97Å; E293-K296 WeakPolarHBondContact O-CB 3.2Å; E293-K296 PolarHBondContact O-N 3.26Å; E293-L297 WeakPolarHBondContact O-CB 3.46Å; E293-L297 VanDerWaalsContact O-CG 3.3Å; E293-L297 WeakPolarHBondContact O-CG 3.44Å; E293-L297 PolarHBondContact O-N 3.06Å
294N82.9Confident87.5Confident96 Ų96105.3 Ų105.351%0.51351%0.506SS..Hα-helixtrans-65.1-41.3175.8-88.2-82.5000112.1Y290 R291 K296 L297 L298Y290-N294 WeakPolarHBondContact O-CB 3.32Å; Y290-N294 PolarHBondContact O-N 3.49Å; Y290-N294 VanDerWaalsContact O-N 3.16Å; Y290-N294 PolarHBondContact O-ND2 3.29Å; R291-N294 PolarHBondContact O-N 3.33Å; R291-N294 VanDerWaalsContact O-N 3.14Å; N294-K296 VanDerWaalsContact C-N 3.3Å; N294-K296 PolarHBondContact O-N 3.06Å; N294-L297 PolarHBondContact O-N 3.44Å; N294-L298 WeakPolarHBondContact O-CB 3.37Å; N294-L298 VanDerWaalsContact O-CG 3.28Å; N294-L298 WeakPolarHBondContact O-CG 3.16Å; N294-L298 PolarHBondContact O-N 3.2Å
295E90Very high87.8Confident115 Ų115106.1 Ų106.154%0.53750%0.503SS..Hα-helixtrans-65.9-32174-73.9-176-170.400112.6R291 R299R291-E295 WeakPolarHBondContact O-CG 3.19Å; R291-E295 PolarHBondContact O-N 3.35Å; E295-R299 WeakPolarHBondContact O-CG 3.29Å; E295-R299 PolarHBondContact O-N 3.42Å; E295-R299 VanDerWaalsContact O-N 3.15Å; E295-R299 PolarHBondContact O-NE 2.8Å
296K90.2Very high88.1Confident123 Ų123104.7 Ų104.754%0.53550%0.499SS..Hα-helixtrans-67.6-51.5171.1-175.9-176.5174.6-172.60110.6E292 E293 N294 L298 R299 D300E292-K296 VanDerWaalsContact O-CB 3.26Å; E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 PolarHBondContact O-N 2.93Å; E293-K296 WeakPolarHBondContact O-CB 3.2Å; E293-K296 PolarHBondContact O-N 3.26Å; N294-K296 VanDerWaalsContact C-N 3.3Å; N294-K296 PolarHBondContact O-N 3.06Å; K296-L298 VanDerWaalsContact C-N 3.26Å; K296-L298 PolarHBondContact O-N 3.35Å; K296-R299 CarbonylContact O-C 3.6Å; K296-R299 WeakPolarHBondContact O-CA 3.33Å; K296-R299 WeakPolarHBondContact O-CB 3.34Å; K296-R299 PolarHBondContact O-N 3.23Å; K296-D300 VanDerWaalsContact O-CG 3.28Å; K296-D300 PolarHBondContact O-N 3.36Å
297L87.4Confident88.4Confident109 Ų109104.8 Ų104.857%0.57150%0.499SS*.Hα-helixtrans-59.5-34.3177.6-71.6169.6000112.8E293 N294 K301E293-L297 WeakPolarHBondContact O-CB 3.46Å; E293-L297 VanDerWaalsContact O-CG 3.3Å; E293-L297 WeakPolarHBondContact O-CG 3.44Å; E293-L297 PolarHBondContact O-N 3.06Å; N294-L297 PolarHBondContact O-N 3.44Å; L297-K301 WeakPolarHBondContact O-CB 3.42Å; L297-K301 PolarHBondContact O-N 3.04Å
298L87.9Confident88.5Confident109 Ų109104.4 Ų104.457%0.57150%0.501SS*.Hα-helixtrans-68.7-40.2172.8-74.6170.5000112.5N294 K296 Q302N294-L298 WeakPolarHBondContact O-CB 3.37Å; N294-L298 VanDerWaalsContact O-CG 3.28Å; N294-L298 WeakPolarHBondContact O-CG 3.16Å; N294-L298 PolarHBondContact O-N 3.2Å; K296-L298 VanDerWaalsContact C-N 3.26Å; K296-L298 PolarHBondContact O-N 3.35Å; L298-Q302 PolarHBondContact O-N 3.29Å
299R92.8Very high88.8Confident156 Ų156104.9 Ų104.959%0.58951%0.505SS*.Hα-helixtrans-65.5-44.7173.1-77.6174.8-75-174.2-4111.8E295 K296 K301 Q302 G303E295-R299 WeakPolarHBondContact O-CG 3.29Å; E295-R299 PolarHBondContact O-N 3.42Å; E295-R299 VanDerWaalsContact O-N 3.15Å; E295-R299 PolarHBondContact O-NE 2.8Å; K296-R299 CarbonylContact O-C 3.6Å; K296-R299 WeakPolarHBondContact O-CA 3.33Å; K296-R299 WeakPolarHBondContact O-CB 3.34Å; K296-R299 PolarHBondContact O-N 3.23Å; R299-K301 PolarHBondContact O-N 3.31Å; R299-Q302 PolarHBondContact O-N 3.36Å; R299-G303 PolarHBondContact O-N 3.27Å
300D87.7Confident89Confident81 Ų81105.3 Ų105.343%0.43351%0.512SS..Hα-helixtrans-62.6-43.2177.5-65.2-19.3000110.7K296 Q302 G303 L304K296-D300 VanDerWaalsContact O-CG 3.28Å; K296-D300 PolarHBondContact O-N 3.36Å; D300-Q302 PolarHBondContact O-N 2.91Å; D300-G303 PolarHBondContact O-N 3.27Å; D300-L304 WeakPolarHBondContact O-CG 3.47Å; D300-L304 PolarHBondContact O-N 3.14Å
301K88.8Confident89.2Confident132 Ų132103.3 Ų103.357%0.57451%0.51SS*.Hα-helixtrans-59.2-44.6172.5-179.3-175.4177-174.50112.4L297 R299 L304 L305L297-K301 WeakPolarHBondContact O-CB 3.42Å; L297-K301 PolarHBondContact O-N 3.04Å; R299-K301 PolarHBondContact O-N 3.31Å; K301-L304 PolarHBondContact O-N 3.07Å; K301-L305 HydrophobicContact CG-CD1 4.48Å; K301-L305 WeakPolarHBondContact O-CG 3.2Å; K301-L305 PolarHBondContact O-N 3.41Å
302Q91.8Very high89.5Confident102 Ų10298 Ų9848%0.47750%0.499SS..Hα-helixtrans-67.7-37.5177.7-169.261.852.100111.6L298 R299 D300 L305 N306L298-Q302 PolarHBondContact O-N 3.29Å; R299-Q302 PolarHBondContact O-N 3.36Å; D300-Q302 PolarHBondContact O-N 2.91Å; Q302-L305 PolarHBondContact O-N 2.89Å; Q302-N306 PolarHBondContact NE2-OD1 3.23Å; Q302-N306 PolarHBondContact O-N 3.41Å; Q302-N306 PolarHBondContact O-OD1 3.22Å; Q302-N306 VanDerWaalsContact O-OD1 3.07Å
303G90.6Very high89.7Confident28 Ų2898.6 Ų98.629%0.28951%0.505SS..Hα-helixtrans-59.2-45.3172.300000112.4R299 D300 N306 Q307R299-G303 PolarHBondContact O-N 3.27Å; D300-G303 PolarHBondContact O-N 3.27Å; G303-N306 PolarHBondContact O-N 3.45Å; G303-Q307 VanDerWaalsContact O-CG 3.27Å; G303-Q307 WeakPolarHBondContact O-CG 3.46Å; G303-Q307 PolarHBondContact O-N 2.9Å
304L89.6Confident89.7Confident104 Ų10498.8 Ų98.855%0.54551%0.506SS..Hα-helixtrans-63.6-41.9175.3-71.7169.4000112.5D300 K301 Q307 T308D300-L304 WeakPolarHBondContact O-CG 3.47Å; D300-L304 PolarHBondContact O-N 3.14Å; K301-L304 PolarHBondContact O-N 3.07Å; L304-Q307 PolarHBondContact O-N 2.74Å; L304-T308 WeakPolarHBondContact O-CG2 3.42Å; L304-T308 PolarHBondContact O-N 3Å; L304-T308 PolarHBondContact O-OG1 2.97Å
305L90.4Very high90Very high73 Ų7398.9 Ų98.938%0.38251%0.51SS..Hα-helixtrans-59.3-51.5175-74170.3000111.2K301 Q302 Q307 T308 E309K301-L305 HydrophobicContact CG-CD1 4.48Å; K301-L305 WeakPolarHBondContact O-CG 3.2Å; K301-L305 PolarHBondContact O-N 3.41Å; Q302-L305 PolarHBondContact O-N 2.89Å; L305-Q307 PolarHBondContact O-N 3.24Å; L305-T308 PolarHBondContact O-N 3.38Å; L305-T308 PolarHBondContact O-OG1 3.34Å; L305-E309 PolarHBondContact O-N 3.46Å
306N90.9Very high90Very high85 Ų8598.8 Ų98.846%0.45551%0.509SS..Hα-helixtrans-57.9-37.1177.5-62.94.7000112Q302 G303 A310Q302-N306 PolarHBondContact NE2-OD1 3.23Å; Q302-N306 PolarHBondContact O-N 3.41Å; Q302-N306 PolarHBondContact O-OD1 3.22Å; Q302-N306 VanDerWaalsContact O-OD1 3.07Å; G303-N306 PolarHBondContact O-N 3.45Å; N306-A310 WeakPolarHBondContact O-CB 3.06Å; N306-A310 PolarHBondContact O-N 3.14Å
307Q88.4Confident90.2Very high115 Ų11598.8 Ų98.854%0.53751%0.511SS..Hα-helixtrans-66.9-42.4173.8-73.3170.816.100112.3G303 L304 L305 E309 A310 L311G303-Q307 VanDerWaalsContact O-CG 3.27Å; G303-Q307 WeakPolarHBondContact O-CG 3.46Å; G303-Q307 PolarHBondContact O-N 2.9Å; L304-Q307 PolarHBondContact O-N 2.74Å; L305-Q307 PolarHBondContact O-N 3.24Å; Q307-E309 VanDerWaalsContact C-N 3.33Å; Q307-E309 PolarHBondContact O-N 2.98Å; Q307-A310 PolarHBondContact O-N 3Å; Q307-L311 WeakPolarHBondContact O-CB 3.44Å; Q307-L311 VanDerWaalsContact O-CG 3.3Å; Q307-L311 WeakPolarHBondContact O-CG 3.29Å; Q307-L311 PolarHBondContact O-N 3.29Å
308T88.7Confident90.2Very high85 Ų8598.1 Ų98.152%0.52151%0.508SS..Hα-helixtrans-65.4-34.8176.956.10000112.9L304 L305 S312L304-T308 WeakPolarHBondContact O-CG2 3.42Å; L304-T308 PolarHBondContact O-N 3Å; L304-T308 PolarHBondContact O-OG1 2.97Å; L305-T308 PolarHBondContact O-N 3.38Å; L305-T308 PolarHBondContact O-OG1 3.34Å; T308-S312 WeakPolarHBondContact O-CB 3.49Å; T308-S312 PolarHBondContact O-N 3.4Å
309E92.7Very high90.3Very high123 Ų12395.3 Ų95.358%0.57550%0.497SS*.Hα-helixtrans-67.6-45.9173.4-69.9179.5-177.500111.6L305 Q307 L311 S312 L313L305-E309 PolarHBondContact O-N 3.46Å; Q307-E309 VanDerWaalsContact C-N 3.33Å; Q307-E309 PolarHBondContact O-N 2.98Å; E309-L311 PolarHBondContact O-N 3.41Å; E309-S312 WeakPolarHBondContact O-CB 3.38Å; E309-S312 PolarHBondContact O-N 3.02Å; E309-L313 WeakPolarHBondContact O-CG 3.26Å; E309-L313 PolarHBondContact O-N 3.33Å
310A91.6Very high90.4Very high58 Ų5893.3 Ų93.348%0.47950%0.497SS..Hα-helixtrans-60.4-42.9176.100000112.6N306 Q307 L313 Q314N306-A310 WeakPolarHBondContact O-CB 3.06Å; N306-A310 PolarHBondContact O-N 3.14Å; Q307-A310 PolarHBondContact O-N 3Å; A310-L313 PolarHBondContact O-N 3.02Å; A310-Q314 PolarHBondContact O-N 3.39Å
311L88.4Confident90.5Very high98 Ų9892.6 Ų92.651%0.51349%0.493SS..Hα-helixtrans-65.8-38.6175.1-71.9169.2000112Q307 E309 Q314 V315Q307-L311 WeakPolarHBondContact O-CB 3.44Å; Q307-L311 VanDerWaalsContact O-CG 3.3Å; Q307-L311 WeakPolarHBondContact O-CG 3.29Å; Q307-L311 PolarHBondContact O-N 3.29Å; E309-L311 PolarHBondContact O-N 3.41Å; L311-Q314 PolarHBondContact O-N 2.97Å; L311-V315 WeakPolarHBondContact O-CG2 3.45Å; L311-V315 PolarHBondContact O-N 3.05Å
312S90.5Very high90.3Very high60 Ų6090.3 Ų90.342%0.4249%0.493SS..Hα-helixtrans-60.5-45.8174.6-1770000111.7T308 E309 V315 Q316T308-S312 WeakPolarHBondContact O-CB 3.49Å; T308-S312 PolarHBondContact O-N 3.4Å; E309-S312 WeakPolarHBondContact O-CB 3.38Å; E309-S312 PolarHBondContact O-N 3.02Å; S312-V315 PolarHBondContact O-N 3.23Å; S312-Q316 WeakPolarHBondContact O-CG 3.24Å; S312-Q316 PolarHBondContact O-N 3.37Å
313L93.6Very high90.3Very high113 Ų11390.8 Ų90.859%0.59249%0.494SS*.Hα-helixtrans-63-41.7175.3-68.3171.9000112E309 A310 V315 Q316 Q317E309-L313 WeakPolarHBondContact O-CG 3.26Å; E309-L313 PolarHBondContact O-N 3.33Å; A310-L313 PolarHBondContact O-N 3.02Å; L313-V315 PolarHBondContact O-N 3.17Å; L313-Q316 PolarHBondContact O-N 3.46Å; L313-Q317 PolarHBondContact O-N 2.97Å
314Q89.1Confident90.4Very high110 Ų11093.1 Ų93.151%0.51450%0.498SS..Hα-helixtrans-62.5-41.6176.1-168.117928.500112.1A310 L311 Q317 L318A310-Q314 PolarHBondContact O-N 3.39Å; L311-Q314 PolarHBondContact O-N 2.97Å; Q314-Q317 PolarHBondContact O-N 3.44Å; Q314-L318 HydrophobicContact CG-CD1 4.17Å; Q314-L318 WeakPolarHBondContact O-CB 3.49Å; Q314-L318 VanDerWaalsContact O-CG 3.3Å; Q314-L318 WeakPolarHBondContact O-CG 3.49Å; Q314-L318 PolarHBondContact O-N 3.37Å
315V88.6Confident90Very high98 Ų9892.3 Ų92.359%0.59449%0.492SS*.Hα-helixtrans-65.1-38.3175.3169.10000111.6L311 S312 L313 S319L311-V315 WeakPolarHBondContact O-CG2 3.45Å; L311-V315 PolarHBondContact O-N 3.05Å; S312-V315 PolarHBondContact O-N 3.23Å; L313-V315 PolarHBondContact O-N 3.17Å; V315-S319 WeakPolarHBondContact O-CB 3.28Å; V315-S319 PolarHBondContact O-N 3.31Å
316Q90.7Very high90Very high113 Ų11394.9 Ų94.953%0.52850%0.501SS..Hα-helixtrans-65-44.7174.7-71.7178.436.900112S312 L313 S319 L320S312-Q316 WeakPolarHBondContact O-CG 3.24Å; S312-Q316 PolarHBondContact O-N 3.37Å; L313-Q316 PolarHBondContact O-N 3.46Å; Q316-S319 WeakPolarHBondContact O-CB 3.45Å; Q316-S319 PolarHBondContact O-N 3.07Å; Q316-L320 PolarHBondContact O-N 3.14Å; Q316-L320 VanDerWaalsContact O-N 3.14Å
317Q93.4Very high90.1Very high123 Ų12397.3 Ų97.358%0.57551%0.51SS*.Hα-helixtrans-59.5-51.8175.3-178.1177.9-11.200111.3L313 Q314 S319 L320 D321L313-Q317 PolarHBondContact O-N 2.97Å; Q314-Q317 PolarHBondContact O-N 3.44Å; Q317-S319 PolarHBondContact O-N 2.84Å; Q317-L320 WeakPolarHBondContact O-CA 2.98Å; Q317-L320 WeakPolarHBondContact O-CB 3.33Å; Q317-L320 PolarHBondContact O-N 3.39Å; Q317-D321 PolarHBondContact O-N 2.98Å
318L87.4Confident90.3Very high95 Ų9596.8 Ų96.850%0.49751%0.506SS..Hα-helixtrans-60.4-32.7178.2-69.7170.9000112.4Q314 D321 C322Q314-L318 HydrophobicContact CG-CD1 4.17Å; Q314-L318 WeakPolarHBondContact O-CB 3.49Å; Q314-L318 VanDerWaalsContact O-CG 3.3Å; Q314-L318 WeakPolarHBondContact O-CG 3.49Å; Q314-L318 PolarHBondContact O-N 3.37Å; L318-D321 PolarHBondContact O-N 3.02Å; L318-C322 WeakPolarHBondContact O-CB 3.45Å; L318-C322 PolarHBondContact O-N 3.31Å; L318-C322 PolarHBondContact O-SG 2.92Å
319S90.6Very high90Very high50 Ų5096.2 Ų96.235%0.3551%0.505SS..Hα-helixtrans-64.9-37.3173.2-171.20000112.7V315 Q316 Q317 K323V315-S319 WeakPolarHBondContact O-CB 3.28Å; V315-S319 PolarHBondContact O-N 3.31Å; Q316-S319 WeakPolarHBondContact O-CB 3.45Å; Q316-S319 PolarHBondContact O-N 3.07Å; Q317-S319 PolarHBondContact O-N 2.84Å; S319-K323 WeakPolarHBondContact O-CD 3.46Å; S319-K323 VanDerWaalsContact O-CG 3.27Å; S319-K323 WeakPolarHBondContact O-CG 3.35Å; S319-K323 PolarHBondContact O-N 3.13Å; S319-K323 PolarHBondContact OG-NZ 2.89Å
320L94.6Very high90Very high114 Ų11495.1 Ų95.160%0.59750%0.502SS*.Hα-helixtrans-71.8-43.2175.3-67.5170.5000111.4Q316 Q317 C322 K323 M324Q316-L320 PolarHBondContact O-N 3.14Å; Q316-L320 VanDerWaalsContact O-N 3.14Å; Q317-L320 WeakPolarHBondContact O-CA 2.98Å; Q317-L320 WeakPolarHBondContact O-CB 3.33Å; Q317-L320 PolarHBondContact O-N 3.39Å; L320-C322 VanDerWaalsContact C-N 3.34Å; L320-C322 PolarHBondContact O-N 2.86Å; L320-K323 PolarHBondContact O-N 2.98Å; L320-K323 VanDerWaalsContact O-N 3.16Å; L320-M324 PolarHBondContact O-N 3.41Å
321D89.9Confident90.1Very high65 Ų6596.4 Ų96.435%0.34850%0.504SS..Hα-helixtrans-61.5-40.9176.2-72.7-38.3000112Q317 L318 K323 M324 Q325Q317-D321 PolarHBondContact O-N 2.98Å; L318-D321 PolarHBondContact O-N 3.02Å; D321-K323 PolarHBondContact O-N 2.8Å; D321-M324 PolarHBondContact O-N 2.88Å; D321-M324 WeakPolarHBondContact OD1-CE 3.49Å; D321-Q325 WeakPolarHBondContact O-CB 3.1Å; D321-Q325 PolarHBondContact O-N 2.85Å
322C85.3Confident90.3Very high85 Ų8596.1 Ų96.157%0.57451%0.506SS*.Hα-helixtrans-61.2-42.6173.3-71.10000112.4L318 L320 Q325 Q326L318-C322 WeakPolarHBondContact O-CB 3.45Å; L318-C322 PolarHBondContact O-N 3.31Å; L318-C322 PolarHBondContact O-SG 2.92Å; L320-C322 VanDerWaalsContact C-N 3.34Å; L320-C322 PolarHBondContact O-N 2.86Å; C322-Q325 PolarHBondContact O-N 3.23Å; C322-Q326 WeakPolarHBondContact O-CB 3.39Å; C322-Q326 PolarHBondContact O-N 3Å
323K91.1Very high90.2Very high111 Ų11198.8 Ų98.848%0.48351%0.512SS..Hα-helixtrans-65.1-42176.8-72.1161.6-174.9158.20111.7S319 L320 D321 Q326 Q327S319-K323 WeakPolarHBondContact O-CD 3.46Å; S319-K323 VanDerWaalsContact O-CG 3.27Å; S319-K323 WeakPolarHBondContact O-CG 3.35Å; S319-K323 PolarHBondContact O-N 3.13Å; S319-K323 PolarHBondContact OG-NZ 2.89Å; L320-K323 PolarHBondContact O-N 2.98Å; L320-K323 VanDerWaalsContact O-N 3.16Å; D321-K323 PolarHBondContact O-N 2.8Å; K323-Q326 PolarHBondContact O-N 3.25Å; K323-Q327 WeakPolarHBondContact O-CG 3.43Å; K323-Q327 PolarHBondContact O-N 2.99Å
324M93.9Very high90.1Very high77 Ų7796 Ų9638%0.37950%0.502SS..Hα-helixtrans-61.3-46.5174.1174-177.649.800111.4L320 D321 Q326 Q327 K328L320-M324 PolarHBondContact O-N 3.41Å; D321-M324 PolarHBondContact O-N 2.88Å; D321-M324 WeakPolarHBondContact OD1-CE 3.49Å; M324-Q326 VanDerWaalsContact C-N 3.32Å; M324-Q326 PolarHBondContact O-N 3.23Å; M324-Q327 PolarHBondContact O-N 3.17Å; M324-K328 HydrophobicContact CG-CD 4.13Å; M324-K328 WeakPolarHBondContact O-CG 3.38Å; M324-K328 PolarHBondContact O-N 2.91Å; M324-K328 PolarHBondContact SD-NZ 3.46Å
325Q81Confident90.3Very high88 Ų8895.6 Ų95.641%0.41150%0.5SS..Hα-helixtrans-67.3-34.6179.9-166.569.1-9.100111.7E191 D321 C322 K328 S329E191-Q325 PolarHBondContact OE2-NE2 3.23Å; D321-Q325 WeakPolarHBondContact O-CB 3.1Å; D321-Q325 PolarHBondContact O-N 2.85Å; C322-Q325 PolarHBondContact O-N 3.23Å; Q325-K328 PolarHBondContact O-N 3.4Å; Q325-S329 WeakPolarHBondContact O-CB 3.3Å; Q325-S329 PolarHBondContact O-N 2.88Å
326Q90Very high90.2Very high126 Ų12696.9 Ų96.959%0.58950%0.501SS*.Hα-helixtrans-61.6-45.2171.2-172.8179.39.400111.8C322 K323 M324 S329 I330C322-Q326 WeakPolarHBondContact O-CB 3.39Å; C322-Q326 PolarHBondContact O-N 3Å; K323-Q326 PolarHBondContact O-N 3.25Å; M324-Q326 VanDerWaalsContact C-N 3.32Å; M324-Q326 PolarHBondContact O-N 3.23Å; Q326-S329 WeakPolarHBondContact O-CB 3.38Å; Q326-S329 PolarHBondContact O-N 2.78Å; Q326-I330 HydrophobicContact CG-CD1 4.42Å; Q326-I330 WeakPolarHBondContact O-CG1 3.48Å; Q326-I330 PolarHBondContact O-N 3.46Å; Q326-I330 VanDerWaalsContact O-N 3.11Å
327Q92.9Very high90.2Very high137 Ų13797.7 Ų97.764%0.6450%0.503SS*.Hα-helixtrans-63-45175.5-74177.5-22.600112.3K323 M324 S329 I330 V331K323-Q327 WeakPolarHBondContact O-CG 3.43Å; K323-Q327 PolarHBondContact O-N 2.99Å; M324-Q327 PolarHBondContact O-N 3.17Å; Q327-S329 VanDerWaalsContact C-N 3.32Å; Q327-S329 PolarHBondContact O-N 3.37Å; Q327-I330 PolarHBondContact O-N 3.38Å; Q327-V331 PolarHBondContact O-N 3.34Å; Q327-V331 VanDerWaalsContact O-N 3.15Å
328K92.6Very high90.2Very high104 Ų10496.7 Ų96.745%0.45250%0.498SS..Hα-helixtrans-57.7-43.6174.7-72.3170.7179.2172.50111.9M324 Q325 I330 V331 V332M324-K328 HydrophobicContact CG-CD 4.13Å; M324-K328 WeakPolarHBondContact O-CG 3.38Å; M324-K328 PolarHBondContact O-N 2.91Å; M324-K328 PolarHBondContact SD-NZ 3.46Å; Q325-K328 PolarHBondContact O-N 3.4Å; K328-I330 VanDerWaalsContact C-N 3.33Å; K328-I330 PolarHBondContact O-N 3.1Å; K328-V331 PolarHBondContact O-N 2.93Å; K328-V332 WeakPolarHBondContact O-CG2 3.37Å; K328-V332 PolarHBondContact O-N 2.94Å
329S82.9Confident90.5Very high72 Ų7297.2 Ų97.250%0.50350%0.501SS..Hα-helixtrans-60.7-39176.8-173.10000112.6Q325 Q326 Q327 Q333Q325-S329 WeakPolarHBondContact O-CB 3.3Å; Q325-S329 PolarHBondContact O-N 2.88Å; Q326-S329 WeakPolarHBondContact O-CB 3.38Å; Q326-S329 PolarHBondContact O-N 2.78Å; Q327-S329 VanDerWaalsContact C-N 3.32Å; Q327-S329 PolarHBondContact O-N 3.37Å; S329-Q333 VanDerWaalsContact O-CB 3.28Å; S329-Q333 WeakPolarHBondContact O-CB 3.4Å; S329-Q333 PolarHBondContact O-N 3.16Å
330I92.7Very high90.3Very high100 Ų10099.3 Ų99.351%0.51351%0.506SS..Hα-helixtrans-65.1-44176.6-68163.2000111.4Q326 Q327 K328 Q333 S334Q326-I330 HydrophobicContact CG-CD1 4.42Å; Q326-I330 WeakPolarHBondContact O-CG1 3.48Å; Q326-I330 PolarHBondContact O-N 3.46Å; Q326-I330 VanDerWaalsContact O-N 3.11Å; Q327-I330 PolarHBondContact O-N 3.38Å; K328-I330 VanDerWaalsContact C-N 3.33Å; K328-I330 PolarHBondContact O-N 3.1Å; I330-Q333 PolarHBondContact O-N 3Å; I330-S334 PolarHBondContact O-N 2.79Å
331V93.3Very high90.2Very high86 Ų8696.9 Ų96.952%0.52150%0.502SS..Hα-helixtrans-62.7-48.8178.5175.60000111.1Q327 K328 Q333 S334 Q335Q327-V331 PolarHBondContact O-N 3.34Å; Q327-V331 VanDerWaalsContact O-N 3.15Å; K328-V331 PolarHBondContact O-N 2.93Å; V331-Q333 VanDerWaalsContact C-N 3.26Å; V331-Q333 PolarHBondContact O-N 3.49Å; V331-S334 WeakPolarHBondContact O-CB 3.41Å; V331-S334 PolarHBondContact O-N 2.93Å; V331-Q335 PolarHBondContact O-N 3.42Å; V331-Q335 VanDerWaalsContact O-N 3.11Å
332V92.6Very high90.4Very high91 Ų91100.1 Ų100.155%0.55252%0.515SS*.Hα-helixtrans-61.7-35.3176.9174.50000111.3K328 S334 Q335 M336K328-V332 WeakPolarHBondContact O-CG2 3.37Å; K328-V332 PolarHBondContact O-N 2.94Å; V332-S334 VanDerWaalsContact C-N 3.32Å; V332-S334 PolarHBondContact O-N 3.24Å; V332-Q335 PolarHBondContact O-N 3.36Å; V332-M336 WeakPolarHBondContact O-CB 3.47Å; V332-M336 PolarHBondContact O-N 3.29Å
333Q89.2Confident90.8Very high116 Ų116101.7 Ų101.754%0.54251%0.509SS..Hα-helixtrans-69.1-26.1175.2-164.6-177.325.100113.2S329 I330 V331 K337S329-Q333 VanDerWaalsContact O-CB 3.28Å; S329-Q333 WeakPolarHBondContact O-CB 3.4Å; S329-Q333 PolarHBondContact O-N 3.16Å; I330-Q333 PolarHBondContact O-N 3Å; V331-Q333 VanDerWaalsContact C-N 3.26Å; V331-Q333 PolarHBondContact O-N 3.49Å; Q333-K337 WeakPolarHBondContact O-CD 3.46Å; Q333-K337 VanDerWaalsContact O-CG 3.32Å; Q333-K337 WeakPolarHBondContact O-CG 3.27Å; Q333-K337 PolarHBondContact O-N 3.37Å
334S91.4Very high90.9Very high55 Ų5599.5 Ų99.539%0.38550%0.502SS..Hα-helixtrans-71.6-54171.1-155.90000110.6I330 V331 V332 M336 K337 E338I330-S334 PolarHBondContact O-N 2.79Å; V331-S334 WeakPolarHBondContact O-CB 3.41Å; V331-S334 PolarHBondContact O-N 2.93Å; V332-S334 VanDerWaalsContact C-N 3.32Å; V332-S334 PolarHBondContact O-N 3.24Å; S334-M336 PolarHBondContact O-N 3Å; S334-M336 VanDerWaalsContact O-N 3.16Å; S334-K337 WeakPolarHBondContact O-CA 3.47Å; S334-K337 WeakPolarHBondContact O-CB 3.25Å; S334-K337 PolarHBondContact O-N 3.39Å; S334-E338 VanDerWaalsContact CB-OE1 3.31Å; S334-E338 WeakPolarHBondContact CB-OE1 3.26Å; S334-E338 PolarHBondContact O-N 3.03Å; S334-E338 PolarHBondContact OG-OE1 3.43Å
335Q92.6Very high90.9Very high101 Ų101102 Ų10247%0.47251%0.513SS..Hα-helixtrans-55.1-38.5179.3-67.3175.8-35.900112.4V331 V332 K337 E338 L339V331-Q335 PolarHBondContact O-N 3.42Å; V331-Q335 VanDerWaalsContact O-N 3.11Å; V332-Q335 PolarHBondContact O-N 3.36Å; Q335-K337 PolarHBondContact O-N 2.89Å; Q335-E338 PolarHBondContact O-N 3.28Å; Q335-L339 WeakPolarHBondContact O-CB 3.49Å; Q335-L339 WeakPolarHBondContact O-CG 3.22Å; Q335-L339 PolarHBondContact O-N 3.17Å
336M86Confident91.4Very high125 Ų125100.5 Ų100.562%0.61652%0.515SS*.Hα-helixtrans-67.2-31.6176-168.866.7-165.600113.4V332 S334 Q340V332-M336 WeakPolarHBondContact O-CB 3.47Å; V332-M336 PolarHBondContact O-N 3.29Å; S334-M336 PolarHBondContact O-N 3Å; S334-M336 VanDerWaalsContact O-N 3.16Å; M336-Q340 WeakPolarHBondContact O-CB 3.37Å; M336-Q340 PolarHBondContact O-N 3.31Å; M336-Q340 VanDerWaalsContact O-N 3.09Å
337K90.4Very high91.5Very high131 Ų131100 Ų10057%0.5751%0.509SS*.Hα-helixtrans-73.3-40.6174.1-70166-178.5173.40111.4Q333 S334 Q335 Q340 A341Q333-K337 WeakPolarHBondContact O-CD 3.46Å; Q333-K337 VanDerWaalsContact O-CG 3.32Å; Q333-K337 WeakPolarHBondContact O-CG 3.27Å; Q333-K337 PolarHBondContact O-N 3.37Å; S334-K337 WeakPolarHBondContact O-CA 3.47Å; S334-K337 WeakPolarHBondContact O-CB 3.25Å; S334-K337 PolarHBondContact O-N 3.39Å; Q335-K337 PolarHBondContact O-N 2.89Å; K337-Q340 PolarHBondContact O-N 3.16Å; K337-A341 PolarHBondContact O-N 2.81Å
338E93.6Very high91.5Very high101 Ų10198.4 Ų98.447%0.47250%0.502SS..Hα-helixtrans-60.5-52.6176.7-69.1146.4-138.600110.1S334 Q335 Q340 A341 E342S334-E338 VanDerWaalsContact CB-OE1 3.31Å; S334-E338 WeakPolarHBondContact CB-OE1 3.26Å; S334-E338 PolarHBondContact O-N 3.03Å; S334-E338 PolarHBondContact OG-OE1 3.43Å; Q335-E338 PolarHBondContact O-N 3.28Å; E338-Q340 VanDerWaalsContact C-N 3.29Å; E338-Q340 PolarHBondContact O-N 3.49Å; E338-A341 WeakPolarHBondContact O-CB 3.29Å; E338-A341 PolarHBondContact O-N 2.63Å; E338-A341 VanDerWaalsContact O-N 3.09Å; E338-E342 PolarHBondContact O-N 3.36Å
339L93.1Very high91.5Very high107 Ų10796.5 Ų96.556%0.5650%0.501SS*.Hα-helixtrans-60.7-33.5174.6-70.4170.7000113.4Q335 R343Q335-L339 WeakPolarHBondContact O-CB 3.49Å; Q335-L339 WeakPolarHBondContact O-CG 3.22Å; Q335-L339 PolarHBondContact O-N 3.17Å; L339-R343 WeakPolarHBondContact O-CB 3.41Å; L339-R343 PolarHBondContact O-N 2.91Å
340Q87.2Confident92.1Very high94 Ų9498.6 Ų98.644%0.43950%0.498SS..Hα-helixtrans-68.2-42.1174-175.3179.4-26.100111.4M336 K337 E338 R343 D344M336-Q340 WeakPolarHBondContact O-CB 3.37Å; M336-Q340 PolarHBondContact O-N 3.31Å; M336-Q340 VanDerWaalsContact O-N 3.09Å; K337-Q340 PolarHBondContact O-N 3.16Å; E338-Q340 VanDerWaalsContact C-N 3.29Å; E338-Q340 PolarHBondContact O-N 3.49Å; Q340-R343 PolarHBondContact O-N 2.85Å; Q340-D344 WeakPolarHBondContact CG-OD2 3.35Å; Q340-D344 PolarHBondContact NE2-OD2 2.89Å; Q340-D344 WeakPolarHBondContact O-CB 3.37Å; Q340-D344 VanDerWaalsContact O-CG 3.25Å; Q340-D344 PolarHBondContact O-N 2.89Å
341A92.6Very high92.2Very high63 Ų6396.8 Ų96.852%0.52149%0.49SS..Hα-helixtrans-63.4-41.9177.200000111.7K337 E338 D344 Q345K337-A341 PolarHBondContact O-N 2.81Å; E338-A341 WeakPolarHBondContact O-CB 3.29Å; E338-A341 PolarHBondContact O-N 2.63Å; E338-A341 VanDerWaalsContact O-N 3.09Å; A341-D344 PolarHBondContact O-N 3.31Å; A341-Q345 VanDerWaalsContact O-CB 3.32Å; A341-Q345 WeakPolarHBondContact O-CB 3.33Å; A341-Q345 PolarHBondContact O-N 2.76Å
342E93.9Very high92.3Very high132 Ų13296.4 Ų96.462%0.61749%0.485SS*.Hα-helixtrans-60.7-44.9173.4-70-176.5161.300112.3E338 D344 Q345 A346E338-E342 PolarHBondContact O-N 3.36Å; E342-D344 PolarHBondContact O-N 2.91Å; E342-Q345 PolarHBondContact O-N 2.77Å; E342-A346 WeakPolarHBondContact O-CB 3.49Å; E342-A346 PolarHBondContact O-N 3.02Å
343R93.9Very high92.3Very high119 Ų11994 Ų9445%0.44947%0.474SS..Hα-helixtrans-59.4-46.1175.4-176.2-157.670.9-175.6-4.4111.8L339 Q340 A346 Y347L339-R343 WeakPolarHBondContact O-CB 3.41Å; L339-R343 PolarHBondContact O-N 2.91Å; Q340-R343 PolarHBondContact O-N 2.85Å; R343-A346 WeakPolarHBondContact O-CB 3.42Å; R343-A346 PolarHBondContact O-N 3.14Å; R343-Y347 HydrophobicContact CG-CD2 4.12Å; R343-Y347 HydrophobicContact CG-CE2 3.63Å; R343-Y347 PolarHBondContact O-N 3.3Å
344D92.6Very high92.4Very high64 Ų6493.8 Ų93.834%0.34247%0.473SS..Hα-helixtrans-71.6-35.1-175-67.2-14.8000110.8Q340 A341 E342 Y347 Q348Q340-D344 WeakPolarHBondContact CG-OD2 3.35Å; Q340-D344 PolarHBondContact NE2-OD2 2.89Å; Q340-D344 WeakPolarHBondContact O-CB 3.37Å; Q340-D344 VanDerWaalsContact O-CG 3.25Å; Q340-D344 PolarHBondContact O-N 2.89Å; A341-D344 PolarHBondContact O-N 3.31Å; E342-D344 PolarHBondContact O-N 2.91Å; D344-Y347 PolarHBondContact O-N 2.75Å; D344-Q348 PolarHBondContact O-N 2.86Å
345Q94.1Very high92.6Very high131 Ų13193.1 Ų93.161%0.61247%0.471SS*.Hα-helixtrans-63.8-39.5168.2-174.862.930.100112.6A341 E342 Q348 S349A341-Q345 VanDerWaalsContact O-CB 3.32Å; A341-Q345 WeakPolarHBondContact O-CB 3.33Å; A341-Q345 PolarHBondContact O-N 2.76Å; E342-Q345 PolarHBondContact O-N 2.77Å; Q345-Q348 PolarHBondContact O-N 3.24Å; Q345-S349 PolarHBondContact O-N 3.04Å; Q345-S349 PolarHBondContact O-OG 2.62Å; Q345-S349 VanDerWaalsContact O-OG 3.07Å
346A91.8Very high92.7Very high55 Ų5593.2 Ų93.246%0.45547%0.472SS..Hα-helixtrans-66.2-38.7176.600000112.1E342 R343 S349 R350E342-A346 WeakPolarHBondContact O-CB 3.49Å; E342-A346 PolarHBondContact O-N 3.02Å; R343-A346 WeakPolarHBondContact O-CB 3.42Å; R343-A346 PolarHBondContact O-N 3.14Å; A346-S349 PolarHBondContact O-OG 3.48Å; A346-S349 VanDerWaalsContact O-OG 3.06Å; A346-R350 WeakPolarHBondContact O-CB 3.4Å; A346-R350 PolarHBondContact O-N 3.43Å; A346-R350 VanDerWaalsContact O-N 3.15Å
347Y92Very high93.1Very high116 Ų11692 Ų9246%0.45547%0.468SS..Hα-helixtrans-67.3-43.9172.5-68.9-36.7000112.5R343 D344 S349 R350 D351R343-Y347 HydrophobicContact CG-CD2 4.12Å; R343-Y347 HydrophobicContact CG-CE2 3.63Å; R343-Y347 PolarHBondContact O-N 3.3Å; D344-Y347 PolarHBondContact O-N 2.75Å; Y347-S349 PolarHBondContact O-N 2.88Å; Y347-R350 WeakPolarHBondContact O-CB 3.22Å; Y347-R350 PolarHBondContact O-N 3.48Å; Y347-D351 WeakPolarHBondContact O-CB 3.39Å; Y347-D351 VanDerWaalsContact O-CG 3.27Å; Y347-D351 PolarHBondContact O-N 3.44Å
348Q94Very high93.2Very high104 Ų10488.6 Ų88.649%0.48646%0.464SS..Hα-helixtrans-56.9-50.4177.2-175.159.955.700111.5D344 Q345 R350 D351 D352D344-Q348 PolarHBondContact O-N 2.86Å; Q345-Q348 PolarHBondContact O-N 3.24Å; Q348-R350 VanDerWaalsContact C-N 3.33Å; Q348-R350 PolarHBondContact O-N 3.12Å; Q348-D351 PolarHBondContact O-N 2.93Å; Q348-D351 VanDerWaalsContact O-N 3.11Å; Q348-D352 VanDerWaalsContact NE2-CG 3.35Å; Q348-D352 PolarHBondContact NE2-OD1 3.29Å; Q348-D352 PolarHBondContact NE2-OD2 3.43Å; Q348-D352 WeakPolarHBondContact O-CB 3.47Å; Q348-D352 VanDerWaalsContact O-CG 3.24Å; Q348-D352 PolarHBondContact O-N 3.33Å
349S91.9Very high93.3Very high63 Ų6390.5 Ų90.544%0.44147%0.467SS..Hα-helixtrans-64.2-32.4179.357.80000114.1Q345 A346 Y347 A353Q345-S349 PolarHBondContact O-N 3.04Å; Q345-S349 PolarHBondContact O-OG 2.62Å; Q345-S349 VanDerWaalsContact O-OG 3.07Å; A346-S349 PolarHBondContact O-OG 3.48Å; A346-S349 VanDerWaalsContact O-OG 3.06Å; Y347-S349 PolarHBondContact O-N 2.88Å; S349-A353 WeakPolarHBondContact O-CB 3.43Å; S349-A353 PolarHBondContact O-N 3.25Å; S349-A353 VanDerWaalsContact O-N 3.17Å
350R95.5Very high93.4Very high116 Ų11689.7 Ų89.744%0.43846%0.462SS..Hα-helixtrans-64.8-45.1170.7-177.1-160.769.1-159.4-9.6111.3A346 Y347 Q348 A353 Q354A346-R350 WeakPolarHBondContact O-CB 3.4Å; A346-R350 PolarHBondContact O-N 3.43Å; A346-R350 VanDerWaalsContact O-N 3.15Å; Y347-R350 WeakPolarHBondContact O-CB 3.22Å; Y347-R350 PolarHBondContact O-N 3.48Å; Q348-R350 VanDerWaalsContact C-N 3.33Å; Q348-R350 PolarHBondContact O-N 3.12Å; R350-A353 WeakPolarHBondContact O-CB 3.42Å; R350-A353 PolarHBondContact O-N 3.07Å; R350-Q354 WeakPolarHBondContact O-CG 3.43Å; R350-Q354 PolarHBondContact O-N 3.44Å
351D95.1Very high93.7Very high63 Ų6389.5 Ų89.534%0.33746%0.463SS..Hα-helixtrans-75.4-33.7-173.2-65.8-7.7000111Y347 Q348 Q354 A355Y347-D351 WeakPolarHBondContact O-CB 3.39Å; Y347-D351 VanDerWaalsContact O-CG 3.27Å; Y347-D351 PolarHBondContact O-N 3.44Å; Q348-D351 PolarHBondContact O-N 2.93Å; Q348-D351 VanDerWaalsContact O-N 3.11Å; D351-Q354 PolarHBondContact O-N 3.11Å; D351-A355 WeakPolarHBondContact O-CB 3.46Å; D351-A355 PolarHBondContact O-N 3.36Å
352D94.6Very high93.8Very high78 Ų7889.1 Ų89.142%0.41746%0.46SS..Hα-helixtrans-60.2-43.3167.2-68.4-31.6000111.9Q348 A355 M356Q348-D352 VanDerWaalsContact NE2-CG 3.35Å; Q348-D352 PolarHBondContact NE2-OD1 3.29Å; Q348-D352 PolarHBondContact NE2-OD2 3.43Å; Q348-D352 WeakPolarHBondContact O-CB 3.47Å; Q348-D352 VanDerWaalsContact O-CG 3.24Å; Q348-D352 PolarHBondContact O-N 3.33Å; D352-A355 PolarHBondContact O-N 2.88Å; D352-M356 WeakPolarHBondContact O-CG 3.34Å; D352-M356 PolarHBondContact O-N 3.34Å
353A92.7Very high93.9Very high39 Ų3988.2 Ų88.232%0.32246%0.456SS..Hα-helixtrans-65.5-4117600000112.2S349 R350 A355 M356 I357S349-A353 WeakPolarHBondContact O-CB 3.43Å; S349-A353 PolarHBondContact O-N 3.25Å; S349-A353 VanDerWaalsContact O-N 3.17Å; R350-A353 WeakPolarHBondContact O-CB 3.42Å; R350-A353 PolarHBondContact O-N 3.07Å; A353-A355 VanDerWaalsContact C-N 3.35Å; A353-M356 PolarHBondContact O-N 3.06Å; A353-I357 WeakPolarHBondContact O-CG1 3.44Å; A353-I357 PolarHBondContact O-N 2.93Å
354Q91.9Very high94Very high112 Ų11287.6 Ų87.652%0.52346%0.457SS..Hα-helixtrans-62.9-40.8172.7-71.2-178.510.900111.7R350 D351 M356 I357 A358R350-Q354 WeakPolarHBondContact O-CG 3.43Å; R350-Q354 PolarHBondContact O-N 3.44Å; D351-Q354 PolarHBondContact O-N 3.11Å; Q354-M356 VanDerWaalsContact C-N 3.3Å; Q354-M356 PolarHBondContact O-N 3.01Å; Q354-I357 PolarHBondContact O-N 2.95Å; Q354-A358 WeakPolarHBondContact O-CB 3.26Å; Q354-A358 PolarHBondContact O-N 3.11Å
355A94.8Very high94.1Very high42 Ų4288.3 Ų88.335%0.34746%0.461SS..Hα-helixtrans-66.6-27.8175.800000113.2D351 D352 A353 R359D351-A355 WeakPolarHBondContact O-CB 3.46Å; D351-A355 PolarHBondContact O-N 3.36Å; D352-A355 PolarHBondContact O-N 2.88Å; A353-A355 VanDerWaalsContact C-N 3.35Å; A355-R359 PolarHBondContact O-N 3.17Å; A355-R359 PolarHBondContact O-NE 2.86Å
356M94.9Very high94.2Very high102 Ų10286 Ų8650%0.50246%0.456SS..Hα-helixtrans-73.2-44.3169.4-73.1-169.3-70.500112D352 A353 Q354 A358 R359 I360D352-M356 WeakPolarHBondContact O-CG 3.34Å; D352-M356 PolarHBondContact O-N 3.34Å; A353-M356 PolarHBondContact O-N 3.06Å; Q354-M356 VanDerWaalsContact C-N 3.3Å; Q354-M356 PolarHBondContact O-N 3.01Å; M356-A358 VanDerWaalsContact C-N 3.31Å; M356-A358 PolarHBondContact O-N 3.27Å; M356-R359 PolarHBondContact O-N 2.96Å; M356-I360 WeakPolarHBondContact O-CG1 3.42Å; M356-I360 PolarHBondContact O-N 3.31Å
357I93.8Very high94.4Very high100 Ų10088.5 Ų88.551%0.51346%0.46SS..Hα-helixtrans-59.6-42.9176.3-67.9164.5000110.8A353 Q354 R359 I360 L361A353-I357 WeakPolarHBondContact O-CG1 3.44Å; A353-I357 PolarHBondContact O-N 2.93Å; Q354-I357 PolarHBondContact O-N 2.95Å; I357-R359 PolarHBondContact O-N 2.87Å; I357-I360 PolarHBondContact O-N 3.26Å; I357-L361 HydrophobicContact CG2-CD1 3.98Å; I357-L361 HydrophobicContact CG2-CG 4.41Å; I357-L361 WeakPolarHBondContact O-CG 3.03Å; I357-L361 PolarHBondContact O-N 3.28Å
358A93.8Very high94.5Very high59 Ų5989.5 Ų89.549%0.48846%0.463SS..Hα-helixtrans-61-41.5177.200000112.8Q354 M356 L361 A362Q354-A358 WeakPolarHBondContact O-CB 3.26Å; Q354-A358 PolarHBondContact O-N 3.11Å; M356-A358 VanDerWaalsContact C-N 3.31Å; M356-A358 PolarHBondContact O-N 3.27Å; A358-L361 PolarHBondContact O-N 3.32Å; A358-A362 PolarHBondContact O-N 3.45Å
359R95.3Very high94.5Very high142 Ų14287.6 Ų87.654%0.53646%0.462SS..Hα-helixtrans-62.3-49.4174.2-81.6174.2-84172.2-8.4111.9A355 M356 I357 L361 A362 E363A355-R359 PolarHBondContact O-N 3.17Å; A355-R359 PolarHBondContact O-NE 2.86Å; M356-R359 PolarHBondContact O-N 2.96Å; I357-R359 PolarHBondContact O-N 2.87Å; R359-L361 VanDerWaalsContact C-N 3.26Å; R359-L361 PolarHBondContact O-N 3.42Å; R359-A362 PolarHBondContact O-N 3.47Å; R359-A362 VanDerWaalsContact O-N 3.15Å; R359-E363 WeakPolarHBondContact O-CG 3.35Å; R359-E363 PolarHBondContact O-N 3.37Å
360I94.9Very high94.6Very high90 Ų9089.4 Ų89.446%0.46246%0.463SS..Hα-helixtrans-61.8-34178.6-65.9164.8000111.7M356 I357 K364M356-I360 WeakPolarHBondContact O-CG1 3.42Å; M356-I360 PolarHBondContact O-N 3.31Å; I357-I360 PolarHBondContact O-N 3.26Å; I360-K364 HydrophobicContact CG2-CD 3.96Å; I360-K364 WeakPolarHBondContact O-CB 3.44Å; I360-K364 WeakPolarHBondContact O-CD 3.47Å; I360-K364 WeakPolarHBondContact O-CG 3.18Å; I360-K364 PolarHBondContact O-N 3.21Å; I360-K364 VanDerWaalsContact O-N 3.11Å
361L94.2Very high94.5Very high89 Ų8989 Ų8947%0.46647%0.47SS..Hα-helixtrans-68.4-46.7173.8-72.5172.2000111.7I357 A358 R359 E363 K364 D365I357-L361 HydrophobicContact CG2-CD1 3.98Å; I357-L361 HydrophobicContact CG2-CG 4.41Å; I357-L361 WeakPolarHBondContact O-CG 3.03Å; I357-L361 PolarHBondContact O-N 3.28Å; A358-L361 PolarHBondContact O-N 3.32Å; R359-L361 VanDerWaalsContact C-N 3.26Å; R359-L361 PolarHBondContact O-N 3.42Å; L361-E363 PolarHBondContact O-N 2.91Å; L361-K364 PolarHBondContact O-N 3.47Å; L361-K364 VanDerWaalsContact O-N 3.11Å; L361-D365 PolarHBondContact O-N 2.86Å
362A94.4Very high94.4Very high56 Ų5689.6 Ų89.646%0.46348%0.475SS..Hα-helixtrans-60.5-42176.800000112.6A358 R359 K364 D365 T366A358-A362 PolarHBondContact O-N 3.45Å; R359-A362 PolarHBondContact O-N 3.47Å; R359-A362 VanDerWaalsContact O-N 3.15Å; A362-K364 VanDerWaalsContact C-N 3.31Å; A362-K364 PolarHBondContact O-N 3.35Å; A362-D365 PolarHBondContact O-N 3.22Å; A362-T366 PolarHBondContact O-N 2.94Å
363E96.4Very high94.3Very high112 Ų11291.8 Ų91.852%0.52348%0.483SS..Hα-helixtrans-61.7-37.4173.5-72.1165.5-16300112.2R359 L361 D365 T366 L367R359-E363 WeakPolarHBondContact O-CG 3.35Å; R359-E363 PolarHBondContact O-N 3.37Å; L361-E363 PolarHBondContact O-N 2.91Å; E363-D365 VanDerWaalsContact C-N 3.34Å; E363-T366 PolarHBondContact O-OG1 2.85Å; E363-L367 WeakPolarHBondContact O-CB 3.48Å; E363-L367 WeakPolarHBondContact O-CD1 3.48Å; E363-L367 VanDerWaalsContact O-CG 3.25Å; E363-L367 WeakPolarHBondContact O-CG 3.36Å; E363-L367 PolarHBondContact O-N 3.06Å; E363-L367 VanDerWaalsContact O-N 3.13Å
364K95.3Very high94.2Very high107 Ų10795.7 Ų95.747%0.46550%0.497SS..Hα-helixtrans-72.7-28.3175.8-72.3169.771.5166.90112.3I360 L361 A362 R368I360-K364 HydrophobicContact CG2-CD 3.96Å; I360-K364 WeakPolarHBondContact O-CB 3.44Å; I360-K364 WeakPolarHBondContact O-CD 3.47Å; I360-K364 WeakPolarHBondContact O-CG 3.18Å; I360-K364 PolarHBondContact O-N 3.21Å; I360-K364 VanDerWaalsContact O-N 3.11Å; L361-K364 PolarHBondContact O-N 3.47Å; L361-K364 VanDerWaalsContact O-N 3.11Å; A362-K364 VanDerWaalsContact C-N 3.31Å; A362-K364 PolarHBondContact O-N 3.35Å; K364-R368 WeakPolarHBondContact O-CB 3.47Å; K364-R368 VanDerWaalsContact O-CD 3.27Å; K364-R368 WeakPolarHBondContact O-CD 3.36Å; K364-R368 WeakPolarHBondContact O-CG 3.49Å; K364-R368 PolarHBondContact O-N 2.81Å
365D95.4Very high94.2Very high79 Ų7995.1 Ų95.142%0.42250%0.495SS..Hα-helixtrans-77.5-35.6175.2-71.8-31000112.8L361 A362 E363 R368 S369L361-D365 PolarHBondContact O-N 2.86Å; A362-D365 PolarHBondContact O-N 3.22Å; E363-D365 VanDerWaalsContact C-N 3.34Å; D365-R368 PolarHBondContact O-N 2.94Å; D365-R368 VanDerWaalsContact OD1-CD 3.29Å; D365-R368 WeakPolarHBondContact OD1-CD 3.49Å; D365-R368 IonicContact OD1-CZ 2.6Å; D365-R368 IonicContact OD1-NE 2.66Å; D365-R368 IonicContact OD1-NH1 2.67Å; D365-R368 PolarHBondContact OD1-NH1 3.31Å; D365-S369 PolarHBondContact O-N 3.11Å; D365-S369 PolarHBondContact O-OG 2.86Å
366T95.8Very high94Very high83 Ų8398.9 Ų98.951%0.50951%0.505SS..Hα-helixtrans-65.7-41.4170.156.80000111.9A362 E363 R368 S369 Q370A362-T366 PolarHBondContact O-N 2.94Å; E363-T366 PolarHBondContact O-OG1 2.85Å; T366-R368 VanDerWaalsContact C-N 3.33Å; T366-R368 PolarHBondContact O-N 2.83Å; T366-S369 PolarHBondContact O-N 2.73Å; T366-Q370 WeakPolarHBondContact O-CG 3.36Å; T366-Q370 PolarHBondContact O-N 2.9Å
367L95.5Very high93.7Very high106 Ų10696.3 Ų96.356%0.55550%0.5SS*.Hα-helixtrans-63.4-35.3173.6-71.6170.2000112.8E363 L371E363-L367 WeakPolarHBondContact O-CB 3.48Å; E363-L367 WeakPolarHBondContact O-CD1 3.48Å; E363-L367 VanDerWaalsContact O-CG 3.25Å; E363-L367 WeakPolarHBondContact O-CG 3.36Å; E363-L367 PolarHBondContact O-N 3.06Å; E363-L367 VanDerWaalsContact O-N 3.13Å; L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 3.4Å
368R94.6Very high93.4Very high137 Ų13795.1 Ų95.152%0.51750%0.497SS..Hα-helixtrans-63.9-44.8172.6-78.4159.2174.8159.1-3.8111.6K364 D365 T366 L371 V372K364-R368 WeakPolarHBondContact O-CB 3.47Å; K364-R368 VanDerWaalsContact O-CD 3.27Å; K364-R368 WeakPolarHBondContact O-CD 3.36Å; K364-R368 WeakPolarHBondContact O-CG 3.49Å; K364-R368 PolarHBondContact O-N 2.81Å; D365-R368 PolarHBondContact O-N 2.94Å; D365-R368 VanDerWaalsContact OD1-CD 3.29Å; D365-R368 WeakPolarHBondContact OD1-CD 3.49Å; D365-R368 IonicContact OD1-CZ 2.6Å; D365-R368 IonicContact OD1-NE 2.66Å; D365-R368 IonicContact OD1-NH1 2.67Å; D365-R368 PolarHBondContact OD1-NH1 3.31Å; T366-R368 VanDerWaalsContact C-N 3.33Å; T366-R368 PolarHBondContact O-N 2.83Å; R368-L371 WeakPolarHBondContact O-CB 3.42Å; R368-L371 PolarHBondContact O-N 3Å; R368-V372 WeakPolarHBondContact O-CG2 3.34Å; R368-V372 PolarHBondContact O-N 3.1Å
369S93Very high93.1Very high65 Ų6598.1 Ų98.146%0.45550%0.5SS..Hα-helixtrans-61-46.5176.9-60.40000111.9D365 T366 L371 V372 E373D365-S369 PolarHBondContact O-N 3.11Å; D365-S369 PolarHBondContact O-OG 2.86Å; T366-S369 PolarHBondContact O-N 2.73Å; S369-L371 VanDerWaalsContact C-N 3.27Å; S369-L371 PolarHBondContact O-N 2.98Å; S369-V372 PolarHBondContact O-N 3.22Å; S369-V372 VanDerWaalsContact O-N 3.11Å; S369-E373 WeakPolarHBondContact O-CG 3.19Å; S369-E373 PolarHBondContact O-N 2.83Å
370Q94.3Very high92.5Very high101 Ų10196.8 Ų96.847%0.47250%0.501SS..Hα-helixtrans-59.1-37175-71.1176.2-500112.7T366 E373 L374T366-Q370 WeakPolarHBondContact O-CG 3.36Å; T366-Q370 PolarHBondContact O-N 2.9Å; Q370-E373 PolarHBondContact O-N 2.97Å; Q370-L374 WeakPolarHBondContact O-CB 3.49Å; Q370-L374 VanDerWaalsContact O-CG 3.26Å; Q370-L374 WeakPolarHBondContact O-CG 3.43Å; Q370-L374 PolarHBondContact O-N 3.21Å
371L93.7Very high91.7Very high108 Ų10898.1 Ų98.157%0.56551%0.508SS*.Hα-helixtrans-66.3-40.8176.1-163.3159000111.4L367 R368 S369 Q375L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 3.4Å; R368-L371 WeakPolarHBondContact O-CB 3.42Å; R368-L371 PolarHBondContact O-N 3Å; S369-L371 VanDerWaalsContact C-N 3.27Å; S369-L371 PolarHBondContact O-N 2.98Å; L371-Q375 VanDerWaalsContact O-CB 3.26Å; L371-Q375 WeakPolarHBondContact O-CB 3.29Å; L371-Q375 PolarHBondContact O-N 2.8Å
372V93.1Very high90.8Very high74 Ų7499.8 Ų99.845%0.44851%0.514SS..Hα-helixtrans-63.4-48.6173.9174.20000111.1R368 S369 L374 Q375 E376R368-V372 WeakPolarHBondContact O-CG2 3.34Å; R368-V372 PolarHBondContact O-N 3.1Å; S369-V372 PolarHBondContact O-N 3.22Å; S369-V372 VanDerWaalsContact O-N 3.11Å; V372-L374 VanDerWaalsContact C-N 3.35Å; V372-L374 PolarHBondContact O-N 3.12Å; V372-Q375 PolarHBondContact O-N 3.26Å; V372-Q375 VanDerWaalsContact O-N 3.08Å; V372-E376 HydrophobicContact CG1-CG 4.48Å; V372-E376 WeakPolarHBondContact O-CG 3.31Å; V372-E376 PolarHBondContact O-N 3Å
373E92.5Very high89.8Confident125 Ų125100.8 Ų100.858%0.58452%0.522SS*.Hα-helixtrans-57.1-45.2176.9-71.3171.7-169.100112.1S369 Q370 E376 A377S369-E373 WeakPolarHBondContact O-CG 3.19Å; S369-E373 PolarHBondContact O-N 2.83Å; Q370-E373 PolarHBondContact O-N 2.97Å; E373-E376 PolarHBondContact O-N 2.82Å; E373-A377 WeakPolarHBondContact O-CB 3.44Å; E373-A377 PolarHBondContact O-N 3.21Å
374L91.8Very high88.5Confident120 Ų120103 Ų10363%0.62853%0.53SS*.Hα-helixtrans-64.9-37.9175.3-74170.1000112.1Q370 V372 A377 V378Q370-L374 WeakPolarHBondContact O-CB 3.49Å; Q370-L374 VanDerWaalsContact O-CG 3.26Å; Q370-L374 WeakPolarHBondContact O-CG 3.43Å; Q370-L374 PolarHBondContact O-N 3.21Å; V372-L374 VanDerWaalsContact C-N 3.35Å; V372-L374 PolarHBondContact O-N 3.12Å; L374-A377 PolarHBondContact O-N 2.85Å; L374-V378 WeakPolarHBondContact O-CB 3.45Å; L374-V378 VanDerWaalsContact O-CG2 3.3Å; L374-V378 WeakPolarHBondContact O-CG2 3.42Å; L374-V378 PolarHBondContact O-N 3.03Å
375Q91.4Very high86.8Confident100 Ų100108.4 Ų108.447%0.46755%0.547SS..Hα-helixtrans-68.8-40177.9-173.7167.8-1.800111.7L371 V372 V378 F379L371-Q375 VanDerWaalsContact O-CB 3.26Å; L371-Q375 WeakPolarHBondContact O-CB 3.29Å; L371-Q375 PolarHBondContact O-N 2.8Å; V372-Q375 PolarHBondContact O-N 3.26Å; V372-Q375 VanDerWaalsContact O-N 3.08Å; Q375-V378 PolarHBondContact O-N 2.88Å; Q375-F379 HydrophobicContact CG-CD2 4.04Å; Q375-F379 HydrophobicContact CG-CE2 3.79Å; Q375-F379 WeakPolarHBondContact O-CD2 3.46Å; Q375-F379 PolarHBondContact O-N 2.92Å
376E90Very high84.5Confident122 Ų122109.5 Ų109.557%0.5756%0.561SS**Hα-helixtrans-63.6-43.5171.5-72.2-175.3-176.700111.8V372 E373 V378 F379 M380V372-E376 HydrophobicContact CG1-CG 4.48Å; V372-E376 WeakPolarHBondContact O-CG 3.31Å; V372-E376 PolarHBondContact O-N 3Å; E373-E376 PolarHBondContact O-N 2.82Å; E376-V378 VanDerWaalsContact C-N 3.33Å; E376-V378 PolarHBondContact O-N 2.92Å; E376-F379 PolarHBondContact O-N 3.24Å; E376-M380 WeakPolarHBondContact O-CB 3.46Å; E376-M380 WeakPolarHBondContact O-CG 3.44Å; E376-M380 PolarHBondContact O-N 3.08Å
377A89.7Confident82.2Confident48 Ų48110.8 Ų110.840%0.39757%0.571SS.*Hα-helixtrans-60.3-41.3174.500000112.1E373 L374 M380 L381E373-A377 WeakPolarHBondContact O-CB 3.44Å; E373-A377 PolarHBondContact O-N 3.21Å; L374-A377 PolarHBondContact O-N 2.85Å; A377-M380 PolarHBondContact O-N 2.85Å; A377-L381 WeakPolarHBondContact O-CB 3.47Å; A377-L381 VanDerWaalsContact O-CG 3.3Å; A377-L381 WeakPolarHBondContact O-CG 3.25Å; A377-L381 PolarHBondContact O-N 3.05Å
378V87.3Confident79.6Confident74 Ų74117.3 Ų117.345%0.44859%0.588SS.*Hα-helixtrans-63.7-45.2174.1166.90000111.4L374 Q375 E376 M380 L381 Q382L374-V378 WeakPolarHBondContact O-CB 3.45Å; L374-V378 VanDerWaalsContact O-CG2 3.3Å; L374-V378 WeakPolarHBondContact O-CG2 3.42Å; L374-V378 PolarHBondContact O-N 3.03Å; Q375-V378 PolarHBondContact O-N 2.88Å; E376-V378 VanDerWaalsContact C-N 3.33Å; E376-V378 PolarHBondContact O-N 2.92Å; V378-M380 VanDerWaalsContact C-N 3.35Å; V378-M380 PolarHBondContact O-N 3.24Å; V378-L381 PolarHBondContact O-N 3.49Å; V378-Q382 HydrophobicContact CG1-CG 4.44Å; V378-Q382 WeakPolarHBondContact O-CB 3.43Å; V378-Q382 WeakPolarHBondContact O-CG 3.24Å; V378-Q382 PolarHBondContact O-N 3.28Å
379F86.3Confident78Confident123 Ų123116.3 Ų116.354%0.53960%0.599SS.*Hα-helixtrans-60.4-43.2174.7-82.4-59.7000112.1Q375 E376 L381 Q382 A383Q375-F379 HydrophobicContact CG-CD2 4.04Å; Q375-F379 HydrophobicContact CG-CE2 3.79Å; Q375-F379 WeakPolarHBondContact O-CD2 3.46Å; Q375-F379 PolarHBondContact O-N 2.92Å; E376-F379 PolarHBondContact O-N 3.24Å; F379-L381 VanDerWaalsContact C-N 3.34Å; F379-L381 PolarHBondContact O-N 3.07Å; F379-Q382 PolarHBondContact O-N 2.89Å; F379-A383 WeakPolarHBondContact O-CB 3.33Å; F379-A383 PolarHBondContact O-N 3.28Å
380M82.3Confident75.3Confident113 Ų113125 Ų12556%0.55762%0.622SS**Hα-helixtrans-65-34.9177.5-74.6-69-82.700112.9E376 A377 V378 K384E376-M380 WeakPolarHBondContact O-CB 3.46Å; E376-M380 WeakPolarHBondContact O-CG 3.44Å; E376-M380 PolarHBondContact O-N 3.08Å; A377-M380 PolarHBondContact O-N 2.85Å; V378-M380 VanDerWaalsContact C-N 3.35Å; V378-M380 PolarHBondContact O-N 3.24Å; M380-K384 WeakPolarHBondContact O-CD 3.33Å; M380-K384 VanDerWaalsContact O-CG 3.26Å; M380-K384 WeakPolarHBondContact O-CG 3.13Å; M380-K384 PolarHBondContact O-N 3.33Å
381L79.9Confident72.4Confident118 Ų118127.1 Ų127.162%0.61864%0.636SS**Hα-helixtrans-73.2-37.4173.7-73.1169.3000112.4A377 V378 F379 K384 R385A377-L381 WeakPolarHBondContact O-CB 3.47Å; A377-L381 VanDerWaalsContact O-CG 3.3Å; A377-L381 WeakPolarHBondContact O-CG 3.25Å; A377-L381 PolarHBondContact O-N 3.05Å; V378-L381 PolarHBondContact O-N 3.49Å; F379-L381 VanDerWaalsContact C-N 3.34Å; F379-L381 PolarHBondContact O-N 3.07Å; L381-K384 PolarHBondContact O-N 3.1Å; L381-R385 PolarHBondContact O-N 2.92Å
382Q74.5Confident69.5Low124 Ų124132 Ų13258%0.57965%0.647SS**Hα-helixtrans-65.6-44.9174.3-72.8178.11100111.6V378 F379 K384 R385V378-Q382 HydrophobicContact CG1-CG 4.44Å; V378-Q382 WeakPolarHBondContact O-CB 3.43Å; V378-Q382 WeakPolarHBondContact O-CG 3.24Å; V378-Q382 PolarHBondContact O-N 3.28Å; F379-Q382 PolarHBondContact O-N 2.89Å; Q382-K384 VanDerWaalsContact C-N 3.28Å; Q382-K384 PolarHBondContact O-N 2.89Å; Q382-R385 PolarHBondContact O-N 2.94Å
383A72.3Confident66.6Low77 Ų77137 Ų13764%0.63666%0.663SS**Hα-helixtrans-58.1-39176.400000112.4F379 R385F379-A383 WeakPolarHBondContact O-CB 3.33Å; F379-A383 PolarHBondContact O-N 3.28Å; A383-R385 VanDerWaalsContact C-N 3.25Å; A383-R385 PolarHBondContact O-N 2.95Å
384K70Confident63.7Low160 Ų160136.4 Ų136.470%0.69667%0.672SS**THydrogen-bonded Turntrans-71.5-9.6176.5-73.6172-178177.70114.7M380 L381 Q382M380-K384 WeakPolarHBondContact O-CD 3.33Å; M380-K384 VanDerWaalsContact O-CG 3.26Å; M380-K384 WeakPolarHBondContact O-CG 3.13Å; M380-K384 PolarHBondContact O-N 3.33Å; L381-K384 PolarHBondContact O-N 3.1Å; Q382-K384 VanDerWaalsContact C-N 3.28Å; Q382-K384 PolarHBondContact O-N 2.89Å
385R58.7Low60.8Low220 Ų220134 Ų13483%0.8368%0.676SS**THydrogen-bonded Turntrans-100.24.4-171.5-148.2173.7-174.7174.62.4115.2L381 Q382 A383L381-R385 PolarHBondContact O-N 2.92Å; Q382-R385 PolarHBondContact O-N 2.94Å; A383-R385 VanDerWaalsContact C-N 3.25Å; A383-R385 PolarHBondContact O-N 2.95Å
386S47.7Very low58.1Low102 Ų102135.6 Ų135.671%0.71369%0.693SS**  trans-79.7120.1174.5-176.50000111.4
387P47.5Very low55.4Low109 Ų109137.8 Ų137.871%0.70870%0.7SS**  -146.1138.2117.835.5-20.4000116.4
388R41.1Very low52.9Low243 Ų243142.8 Ų142.892%0.91772%0.716SS**  trans67.8149.6157.3-73.2-177.8170168-1.7119.5
389P61.8Low50.1Low116 Ų116146.9 Ų146.975%0.75373%0.733SS**  trans-104.2149.5-174.838.5-33.2000114.2
390R35.4Very low47.6Very low247 Ų247145.5 Ų145.593%0.93274%0.739SS**  trans-173.8137.3142.5-107.7161.5-167.9-159.12.4115.3
391L33.8Very low45.2Very low146 Ų146150.3 Ų150.376%0.76475%0.751SS**  trans71.895.1131.5-158.368.8000122.1
392R33.3Very low42.8Very low211 Ų211152.2 Ų152.280%0.79676%0.757SS**  trans63.3138.8134.2-81.1-175.7167.7-164.9-5.1123.4
393K30.8Very low41.1Very low179 Ų179151.8 Ų151.878%0.77877%0.768SS**  trans88154.4140.8-83.5-176.3171.8-166.10119.7
394S32.6Very low39.8Very low112 Ų112153.6 Ų153.678%0.78377%0.773SS**  trans-25.9148.1169.749.40000117.2
395G31.5Very low37.8Very low70 Ų70151.6 Ų151.672%0.72277%0.774SS**  cis121.2160.78.700000112.4
396V33.4Very low36.4Very low134 Ų134146.1 Ų146.181%0.81277%0.769SS**  trans76.8119.3179.4-172.90000116.1
397K32.9Very low35.4Very low168 Ų168146.3 Ų146.373%0.7377%0.771SS**  trans58.4124.9157.5-72.2-177.7171.7-100.20119.1
398E36.9Very low34.6Very low153 Ų153145.9 Ų145.972%0.71577%0.771SS**  80.7107.155.9179.8-171.5-126.500112.1
399I29.4Very low34.1Very low160 Ų160143 Ų14382%0.82177%0.767SS**  trans-147.6140160.8-100.8159.6000107.2
400S34.8Very low32.6Very low94 Ų94146.5 Ų146.566%0.65777%0.774SS**  trans-102.6154.3-176175.40000111.3
401W31.6Very low32.1Very low213 Ų213140.8 Ų140.881%0.80777%0.77SS**  trans-147.495.9151.2-79.2113.7000111.9
402E28.3Very low32.5Very low159 Ų159139.5 Ų139.574%0.74377%0.77SS**  trans36.9126.5137.5-58.8-179.6151.200122.1
403S38.6Very low32.7Very low115 Ų115137.9 Ų137.980%0.80478%0.777SS**  trans-82.3169.5167.1-31.80000111.9
404P45.3Very low32.7Very low115 Ų115136.8 Ų136.875%0.74778%0.779SS**  -139.818067.738.8-18.9000112.9
405T28.8Very low32.7Very low118 Ų118137.2 Ų137.272%0.72478%0.776SS**  cis-157.515027.8-42.50000111.7
406S28Very low33.2Very low104 Ų104145.9 Ų145.973%0.72779%0.787SS**  trans56.9136.7159.157.30000121.4
407S27.5Very low33.2Very low107 Ų107148.2 Ų148.275%0.74879%0.789SS**  cis-175.4130.4-22.243.60000110.7
408S30.4Very low33.3Very low100 Ų100151.5 Ų151.570%0.69980%0.797SS**  trans59.7126152.4-170.10000118.3
409E30.9Very low33.2Very low181 Ų181152.7 Ų152.785%0.84681%0.807SS**  cis-153.7158.6-4-130.3144.5-94.700111.6
410E30.4Very low33.5Very low190 Ų190156.3 Ų156.389%0.88881%0.811SS**PPolyproline II helixtrans-91.3149.5-172.1-61.4179.9115.800113.5
411C25.8Very low33.5Very low127 Ų127163.5 Ų163.586%0.85882%0.823SS**PPolyproline II helixtrans-94.5129.6162.9-76.80000110.5
412P41.2Very low33.6Very low119 Ų119161.7 Ų161.777%0.77383%0.826SS**PPolyproline II helixtrans-77.2146.1-176.330.7-35.5000113.3
413L37.1Very low33.8Very low177 Ų177161.1 Ų161.193%0.92783%0.828SS**PPolyproline II helixtrans-75.3129.4172.2-70.7170.9000111.5
414L32.1Very low33.5Very low157 Ų157160.8 Ų160.882%0.82283%0.832SS**  trans-132.3128.6168.1-91.1176000114.3
415V32.3Very low33Very low121 Ų121163 Ų16373%0.73384%0.837SS**  trans8.2118.7153.9-1740000118.2Q417V415-Q417 PolarHBondContact O-N 3.01Å; V415-Q417 VanDerWaalsContact O-N 3.09Å
416R42.2Very low33.2Very low252 Ų252164.2 Ų164.295%0.95184%0.839SS**  trans-42103.3165.3-171.2-172.8-158.8178.47.2113.7
417Q33.1Very low33.4Very low182 Ų182165 Ų16585%0.8584%0.841SS**  trans-100.9157.5167.6-75.6-159.2-0.200113.3V415V415-Q417 PolarHBondContact O-N 3.01Å; V415-Q417 VanDerWaalsContact O-N 3.09Å
418R35.8Very low33.6Very low238 Ų238167.1 Ų167.190%0.89884%0.841SS**  trans-102103.1-169.8-178.9-177.4-174.7176.92.7109.9R420R418-R420 PolarHBondContact O-N 3.29Å
419L32.9Very low33.6Very low177 Ų177167.6 Ų167.693%0.92784%0.844SS**PPolyproline II helixtrans-57123.5179.5-71.6169.6000111.5
420R35.9Very low33.5Very low237 Ų237167.7 Ų167.789%0.89485%0.85SS**PPolyproline II helixtrans-93.8161.6161.4-71-177.8170.3-173-3.2108.6R418R418-R420 PolarHBondContact O-N 3.29Å
421R36.1Very low33.5Very low245 Ų245163.3 Ų163.393%0.92584%0.84SS**PPolyproline II helixtrans-65.1145.1161.5-70.7-176.8177.3175.6-1.5109.1
422M32.3Very low33.5Very low174 Ų174163 Ų16386%0.85784%0.84SS**  trans-121.7139.6164.3-102.3176.759.100107.4
423D33.1Very low32.7Very low148 Ų148162.7 Ų162.779%0.79184%0.839SS**PPolyproline II helixtrans-79.6155.8179.8-55.5-70.8000111.5L425D423-L425 PolarHBondContact O-N 3.05Å
424A33.5Very low32.2Very low107 Ų107160.6 Ų160.688%0.88483%0.834SS**PPolyproline II helixtrans-76122.5-177.300000111.4
425L33.9Very low32.1Very low163 Ų163157.9 Ų157.985%0.85383%0.828SS**PPolyproline II helixtrans-82.5140170.3-69.2173.4000110.6D423 P427D423-L425 PolarHBondContact O-N 3.05Å; L425-P427 WeakPolarHBondContact O-CD 3.45Å
426N33Very low31.9Very low142 Ų142160.8 Ų160.876%0.75983%0.833SS**PPolyproline II helixtrans-90.3117.3-175.8-176.415.3000111.3M428N426-M428 PolarHBondContact O-N 3.01Å
427P33.1Very low31.3Very low120 Ų120153.5 Ų153.578%0.77982%0.821SS**  trans-88.295.7-179.134-31.9000111.6L425L425-P427 WeakPolarHBondContact O-CD 3.45Å
428M31.8Very low31.1Very low153 Ų153153.1 Ų153.175%0.75482%0.82SS**  trans-122.6143.7163.5-86.6-67.1-68.600110.4N426N426-M428 PolarHBondContact O-N 3.01Å
429S29.1Very low30.8Very low109 Ų109149.6 Ų149.676%0.76282%0.818SS**  trans70.298.4171.7-52.30000117.5
430L28.4Very low30.5Very low183 Ų183145.4 Ų145.496%0.95881%0.809SS**  trans-133.7142.6137.7-114.3172.4000108.2
431S31.3Very low30.3Very low99 Ų99140.5 Ų140.569%0.69281%0.805SS**  trans-139.9139.1-154.9560000113.6
432S24.9Very low30.8Very low121 Ų121133.9 Ų133.985%0.84679%0.794SS**  trans-164.8156.6163.350.50000111.7
433C26Very low30.4Very low112 Ų112131 Ų13176%0.75779%0.792SS**  175.5118-59.9-96.30000109.4
434T26.2Very low30.2Very low133 Ų133128.3 Ų128.382%0.81678%0.784SS**  trans-164.9109.4160.424.60000106.2
435S30.1Very low30.1Very low100 Ų100130.4 Ų130.470%0.69978%0.779SS**  72.8131.579.575.70000112
436E27.6Very low29.9Very low181 Ų181132.6 Ų132.685%0.84678%0.776SS**  cis-141.7169.615.2-66.7-179.998.300108.7
437S29.8Very low29.8Very low100 Ų100130.8 Ų130.870%0.69977%0.774SS**  cis-160-161.4-4.935.90000106.7
438E29.2Very low29.7Very low174 Ų174135.1 Ų135.181%0.81378%0.781SS**  cis-147.2163.39.1-61.8-179.7133.800111.4
439D28.2Very low29.6Very low163 Ų163131.4 Ų131.487%0.87278%0.781SS**  trans42.1148.3146.4-79.722.6000128.1
440A28.1Very low29.6Very low89 Ų89132.7 Ų132.774%0.73679%0.785SS**  trans80.458.8150.500000122.8
441V31.4Very low29.6Very low134 Ų134132.7 Ų132.781%0.81278%0.78SS**  28137.2105.5-174.60000118.4
442P45.7Very low29.8Very low106 Ų106133.1 Ų133.169%0.68878%0.78SS**  cis-141.1-173.1-1741.5-22.9000116.7
443S25.1Very low30.2Very low115 Ų115133.5 Ų133.580%0.80478%0.78SS**  trans82.5152.7146.182.30000119.7
444S27.8Very low30.4Very low91 Ų91133.4 Ų133.464%0.63678%0.78SS**  cis-176145.3-25.1179.30000110.9
445I31.5Very low31Very low151 Ų151132.8 Ų132.877%0.77478%0.779SS**  trans67.4146.6153.1-82169.9000116.9
446R30Very low30.9Very low209 Ų209132.8 Ų132.879%0.78978%0.784SS**  cis-174.9179-11.5-178177-175.3-144.59.2109.8
447S31.7Very low31Very low103 Ų103128.9 Ų128.972%0.7278%0.777SS**  trans75.1128.6167.2570000116.7
448K30.5Very low31.1Very low211 Ų211131 Ų13192%0.91778%0.78SS**  cis80.2113.141.1-70.8-168.7169.9-163.70113.8
449G29.6Very low31.3Very low75 Ų75132.4 Ų132.477%0.77378%0.778SS**  trans-175.1143167.200000109
450V29.6Very low31.5Very low137 Ų137133.4 Ų133.483%0.8377%0.769SS**  trans-152.7167.9-169.7143.50000109.1
451E28.3Very low31.6Very low183 Ų183139.2 Ų139.286%0.85577%0.772SS**  trans85158.1170.1-87-178.8152.200118.2
452P33.9Very low31.3Very low108 Ų108138.6 Ų138.670%0.70176%0.76SS**  trans-116.4177.2-143.914.311.6000114.3
453P33.9Very low30.4Very low128 Ų128140.8 Ų140.883%0.83176%0.761SS**PPolyproline II helixtrans-67.5143176.328.1-36.1000113.4
454S29.8Very low30.4Very low111 Ų111141.8 Ų141.878%0.77676%0.763SS**PPolyproline II helixtrans-86155.7173.3490000112.6
455P39.4Very low30.2Very low120 Ų120144.8 Ų144.878%0.77976%0.764SS**PPolyproline II helixtrans-92.1163.4-177.636.1-35.9000114.4
456A27Very low30Very low99 Ų99145.2 Ų145.282%0.81876%0.761SS**  trans74.2153.3179.600000115.2
457S31Very low29.7Very low99 Ų99142.6 Ų142.669%0.69276%0.757SS**  cis-146.9127.99.9680000112.3
458L31.6Very low29.3Very low144 Ų144145.5 Ų145.575%0.75476%0.76SS**  69.8131.8104.4-66.7173.3000119.1
459R32.9Very low29.1Very low204 Ų204139.8 Ų139.877%0.7775%0.747SS**  trans74.2152.5152.3-69.1172.4-176.2-171.13117.2
460R31.7Very low29Very low184 Ų184140.6 Ų140.669%0.69474%0.74SS**  cis-171.2126.3-13.3160.7-166.9-77.5-179-6.9111.4
461R30.7Very low29Very low212 Ų212140.5 Ų140.580%0.874%0.735SS**  trans45.4171145.1-56.5-178.2176.5-158.2-2.4123.3
462Q26.1Very low29.1Very low120 Ų120139 Ų13956%0.56173%0.728SS**  trans78.6105161.1-104.362.249.400113.6
463E25.6Very low28.9Very low152 Ų152139.4 Ų139.471%0.7173%0.728SS**  66.5115.379.4-66163.4-164.500112
464V26Very low28.9Very low137 Ų137141.1 Ų141.183%0.8373%0.725SS**  173156.697.3143.70000108.2
465F24.3Very low29Very low154 Ų154143 Ų14368%0.67573%0.726SS**  cis-174.7158.7-36.7-142.1-82.2000107.6
466F25.9Very low28.5Very low159 Ų159142.9 Ų142.970%0.69772%0.723SS**  trans65.6161177-61.8-69.5000116.2
467E24.5Very low28.6Very low154 Ų154145.1 Ų145.172%0.7272%0.722SS**  cis-146.1170-0.8-148.684.5-111.800105.6
468E23.6Very low28.6Very low164 Ų164144.4 Ų144.477%0.76672%0.717SS**  cis-136176.16.8-89-16791.700108.3
469S25.5Very low28.4Very low92 Ų92143.8 Ų143.864%0.64372%0.718SS**  cis99.9126.917.7-152.20000117.1
470S27.3Very low28.2Very low92 Ų92141.1 Ų141.164%0.64372%0.719SS**  trans66.6151.9163.778.60000119.1
471L30.5Very low28.1Very low135 Ų135140 Ų14071%0.70773%0.727SS**  cis-129.7145.9-6.2-87.3103.6000108.3
472E28.9Very low27.9Very low152 Ų152136 Ų13671%0.7172%0.721SS**  68.9144.767.2-63.2168.7-171.100113.7
473T30.8Very low28Very low115 Ų115139.5 Ų139.571%0.70674%0.735SS**  cis-128.6146.527.548.40000113.3
474E34.8Very low28Very low165 Ų165138.9 Ų138.977%0.77174%0.741SS**  59.6148.280.8-50.4-172.6131.100114.3
475D31.3Very low27.9Very low150 Ų150139.3 Ų139.380%0.80274%0.738SS**  cis-93.4-178.212.4-62.6-69.4000116.1
476T29Very low28.1Very low117 Ų117140 Ų14072%0.71875%0.748SS**  cis-165.9140.1-30.539.70000111.1
477D29.5Very low28.1Very low146 Ų146137.2 Ų137.278%0.78175%0.748SS**  24.6154.4123.9-94.639000125.2
478S31.1Very low28.2Very low84 Ų84137.7 Ų137.759%0.58776%0.755SS**  cis-168.5147-2039.70000115.6
479V27.5Very low28.3Very low131 Ų131133.4 Ų133.479%0.79476%0.755SS**  trans45148.9131.1-1710000123.4
480L28.7Very low28.4Very low149 Ų149133.9 Ų133.978%0.7876%0.758SS**  trans88.2128.7154.7-104.4159.8000120.7
481D27.8Very low28.6Very low161 Ų161139.2 Ų139.286%0.86177%0.773SS**  -154.3164.7119-150.5-8.2000110.8
482D26.8Very low28.4Very low126 Ų126139.9 Ų139.967%0.67478%0.778SS**  trans-131.6-178.8-170.8-163.38.6000113.1
483F28.8Very low28.5Very low194 Ų194139.9 Ų139.985%0.85178%0.777SS**  trans-66.6137.8-175.3-80.8-105.9000114.8
484V25.4Very low28.4Very low139 Ų139141.7 Ų141.784%0.84278%0.778SS**  trans-130.1139.1155.21800000111
485L24.8Very low28.1Very low147 Ų147142 Ų14277%0.7778%0.777SS**  trans-96.6142.5-179-166.890.2000111
486L27.7Very low28.2Very low169 Ų169140.7 Ų140.789%0.88578%0.776SS**  trans-131.2155.7157.3-74.8178.3000110
487S26.3Very low28.3Very low99 Ų99145.3 Ų145.369%0.69278%0.781SS**  trans-153.9163.2-174.1-71.10000112.2
488D26.2Very low29.2Very low164 Ų164144.3 Ų144.388%0.87778%0.782SS**  trans78.6150.1170.3-146.82.2000117.5
489G25.4Very low28.9Very low74 Ų74146 Ų14676%0.76379%0.794SS**  trans139.471.3-164.500000111.7
490S28.4Very low29.2Very low102 Ų102145.5 Ų145.571%0.71380%0.796SS**  trans-74.9148.9-178.159.20000114.4
491E30.2Very low29.1Very low205 Ų205143.7 Ų143.796%0.95880%0.796SS**  -155.6161.6126.2-118.1169.1-154.500111
492D27.9Very low29.1Very low149 Ų149147.8 Ų147.880%0.79780%0.799SS**  trans-114.5161.5-167-159.9-9.6000111.1
493E30.1Very low29.1Very low151 Ų151145.6 Ų145.671%0.70681%0.807SS**  trans168.2128.6135.3-86.9-10697.400113.6
494Q28.3Very low29.2Very low154 Ų154142.2 Ų142.272%0.7281%0.808SS**  trans58.3112.3143.7-61.1-17332.600122.2
495K29.5Very low29.4Very low170 Ų170142.9 Ų142.974%0.73981%0.806SS**  trans-90.6157.5152.3-154.5180-149.8147.90108.8
496P33.7Very low29.5Very low123 Ų123141.1 Ų141.180%0.79981%0.806SS**  -144.2166.2108.235-19.7000116.7
497R29.5Very low29.8Very low215 Ų215138.7 Ų138.781%0.81180%0.798SS**  trans-103177.6161.4-83.8-178.9173.4176.6-3.1107.5
498P50.1Low29.9Very low125 Ų125138.8 Ų138.881%0.81280%0.797SS**  cis-131.7-149.419.140-15.8000111.5
499S24.2Very low30.2Very low120 Ų120137 Ų13784%0.83979%0.792SS**  cis-156.4-178.233.255.90000114.3
500S32.8Very low30.5Very low119 Ų119138.2 Ų138.283%0.83279%0.789SS**  trans-136.6151.7-163.260.30000115.8
501S26.9Very low30.6Very low111 Ų111143.6 Ų143.678%0.77680%0.8SS**  trans-152.1136157.254.20000108.7
502R29.1Very low30.8Very low247 Ų247138.9 Ų138.993%0.93279%0.79SS**  52.4119.164.2-84.5-179.7159.3176.8-6.8112.5
503G26.9Very low31.1Very low81 Ų81137 Ų13784%0.83579%0.788SS**  cis125.8132.6-2.600000112.9
504S29.8Very low30.9Very low123 Ų123134.3 Ų134.386%0.8679%0.792SS**  trans-160168.9173.3-160.90000112.9
505N29.7Very low31.3Very low153 Ų153132 Ų13282%0.81879%0.79SS**  trans-129.7151.1-159-67.5-28.7000116.5
506S27.5Very low32Very low109 Ų109130 Ų13076%0.76279%0.794SS**  trans-159.7144.1143.7-155.30000107.9
507V32.7Very low32.2Very low118 Ų118132.1 Ų132.172%0.71579%0.791SS**  cis79.5132.821.3-171.20000111.6
508C28.9Very low32.6Very low101 Ų101129.4 Ų129.468%0.68279%0.792SS**  cis-138.7137.819.8-131.80000111.1
509V31.9Very low32.1Very low127 Ų127129.9 Ų129.977%0.7779%0.792SS**  75139.9106.9158.90000118
510S33.4Very low32.4Very low100 Ų100135.5 Ų135.570%0.69980%0.795SS**  cis-170.6160-30.273.20000111
511K30.3Very low32.7Very low214 Ų214134.6 Ų134.693%0.9379%0.789SS**  trans-165159.5137.2-112.6171-175.8177.20112.5
512S32.9Very low32.9Very low107 Ų107140.4 Ų140.475%0.74879%0.794SS**  trans-128.6156.7-162.5-157.80000109
513S34.2Very low33.2Very low110 Ų110134.2 Ų134.277%0.76979%0.786SS**  cis-171.1165.5-5.127.10000110
514A27.6Very low33.8Very low94 Ų94140.5 Ų140.578%0.77779%0.79SS**  trans-136.6151.8157.800000110.5
515P35.4Very low34.1Very low105 Ų105139.2 Ų139.268%0.68279%0.787SS**  trans-81166.6-16831.5-36000115.5
516P44.9Very low34.6Very low127 Ų127138.9 Ų138.983%0.82578%0.784SS**SBendtrans-102.896.7-153.437.1-33.3000115.5
517F38.6Very low35.3Very low169 Ų169143.3 Ų143.374%0.74178%0.784SS**SBendtrans-150.6-5.4161.844.6-91000116.4
518L37.4Very low35.7Very low158 Ų158140.7 Ų140.783%0.82777%0.768SS**SBendtrans-108.79.2-176.7-65.2179.5000115.8R520L518-R520 PolarHBondContact O-N 3.34Å
519V38.2Very low36.4Very low135 Ų135141.4 Ų141.482%0.81877%0.765SS**  trans-101.870171.8-168.40000110.6
520R31.3Very low37.5Very low237 Ų237138.1 Ų138.189%0.89476%0.757SS**  trans-93.280.5152.4-93.2-171171.8-178.9-1.1108.6L518 R522L518-R520 PolarHBondContact O-N 3.34Å; R520-R522 PolarHBondContact O-N 2.91Å
521S38.2Very low39.4Very low101 Ų101142.2 Ų142.271%0.70676%0.757SS**  trans-53.9112.1152.541.30000107.4
522R32.7Very low42Very low232 Ų232135.4 Ų135.488%0.87573%0.733SS**PPolyproline II helixtrans-61.6133176.6-71.3-173.8177.4-167.90.2107.8R520R520-R522 PolarHBondContact O-N 2.91Å
523P34.2Very low44.6Very low117 Ų117134.2 Ų134.276%0.7672%0.718SS**PPolyproline II helixtrans-60.4148.9175.626.6-34.2000109.8A525P523-A525 PolarHBondContact O-N 3.47Å; P523-A525 VanDerWaalsContact O-N 3.07Å
524K40.9Very low47.2Very low213 Ų213131.9 Ų131.993%0.92670%0.702SS**PPolyproline II helixtrans-51.6118176.6-72.2-176.9174.9-1770109.3I526K524-I526 PolarHBondContact O-N 3.43Å
525A35.5Very low50.2Low97 Ų97129.2 Ų129.280%0.80267%0.674SS**PPolyproline II helixtrans-67.3125.4-17300000111P523P523-A525 PolarHBondContact O-N 3.47Å; P523-A525 VanDerWaalsContact O-N 3.07Å
526I39Very low52.8Low145 Ų145127.6 Ų127.674%0.74467%0.665SS**  trans3.7113.8163-46.6176.1000115.4K524 V528K524-I526 PolarHBondContact O-N 3.43Å; I526-V528 VanDerWaalsContact C-N 3.31Å; I526-V528 HydrophobicContact CB-CG2 4.2Å; I526-V528 HydrophobicContact CG2-CG2 3.59Å; I526-V528 PolarHBondContact O-N 3.45Å
527R44.2Very low54.9Low203 Ų203121.8 Ų121.877%0.76663%0.627SS**  trans-67.287.3163.4-81.4-171171.5-169-5110.2N529R527-N529 VanDerWaalsContact C-N 3.29Å; R527-N529 PolarHBondContact O-N 3.36Å; R527-N529 VanDerWaalsContact O-N 3.17Å
528V40Very low57.3Low62 Ų62119.6 Ų119.638%0.37662%0.619SS.*  trans-84.576.1168.1-170.70000108.6I526 G530 R531I526-V528 VanDerWaalsContact C-N 3.31Å; I526-V528 HydrophobicContact CB-CG2 4.2Å; I526-V528 HydrophobicContact CG2-CG2 3.59Å; I526-V528 PolarHBondContact O-N 3.45Å; V528-G530 PolarHBondContact O-N 3.06Å; V528-R531 HydrophobicContact CG1-CB 3.99Å; V528-R531 HydrophobicContact CG1-CG 3.81Å; V528-R531 PolarHBondContact O-N 3.23Å
529N44Very low59.4Low116 Ų116112.3 Ų112.362%0.6258%0.581SS**THydrogen-bonded Turntrans-56.5122.3177.1-73.79.9000109.8R527R527-N529 VanDerWaalsContact C-N 3.29Å; R527-N529 PolarHBondContact O-N 3.36Å; R527-N529 VanDerWaalsContact O-N 3.17Å
530G55.1Low61.5Low59 Ų59114.6 Ų114.661%0.60858%0.583SS**THydrogen-bonded Turntrans104.8-16.9173.700000117V528V528-G530 PolarHBondContact O-N 3.06Å
531R73.5Confident64.1Low186 Ų186105.1 Ų105.170%0.70256%0.555SS**PPolyproline II helixtrans-89.2143.6173.9-67.1-167.1-174.1-179.1-0.2111.6V528V528-R531 HydrophobicContact CG1-CB 3.99Å; V528-R531 HydrophobicContact CG1-CG 3.81Å; V528-R531 PolarHBondContact O-N 3.23Å
532V83.6Confident66.5Low71 Ų71100.3 Ų100.343%0.4352%0.522SS..PPolyproline II helixtrans-76.1124171.8-178.70000108.8L617 R618V532-L617 CarbonylContact C-O 3.51Å; V532-L617 WeakPolarHBondContact CA-O 3.47Å; V532-R618 HydrophobicContact CG2-CB 4.35Å; V532-R618 HydrophobicContact CG2-CG 4.28Å
533L88.3Confident69.2Low82 Ų8292.1 Ų92.143%0.42950%0.495SS..EExtended strand (participates in β ladder)trans-91.7128.6173.4-57.9176.1000108.2S616 L617 P619L533-S616 CarbonylContact O-C 3.58Å; L533-S616 WeakPolarHBondContact O-CA 3.5Å; L533-L617 PolarHBondContact N-O 3.01Å; L533-L617 PolarHBondContact O-N 2.96Å; L533-P619 HydrophobicContact CD1-CG 3.82Å; L533-P619 HydrophobicContact CG-CG 4.4Å
534S88.3Confident71.7Confident61 Ų6190.5 Ų90.543%0.42749%0.486SS..EExtended strand (participates in β ladder)trans-105.2125.3172.8-156.90000109.8Q614 L615S534-Q614 WeakPolarHBondContact OG-CG 3.25Å; S534-Q614 PolarHBondContact OG-NE2 3.4Å; S534-L615 CarbonylContact C-O 3.55Å; S534-L615 WeakPolarHBondContact CA-O 3.43Å
535L90.4Very high74Confident38 Ų3881.5 Ų81.520%0.19945%0.448CS..EExtended strand (participates in β ladder)trans-127.2118.8-172.5-64.1179.6000110.1V570 I572 Q614 L615 L617L535-V570 HydrophobicContact CB-CG1 3.85Å; L535-V570 HydrophobicContact CD1-CG1 4.34Å; L535-V570 HydrophobicContact CD2-CG1 4.14Å; L535-V570 HydrophobicContact CG-CG1 4.33Å; L535-I572 HydrophobicContact CD1-CG1 3.89Å; L535-Q614 WeakPolarHBondContact O-CA 3.5Å; L535-L615 PolarHBondContact N-O 2.89Å; L535-L615 PolarHBondContact O-N 3.22Å; L535-L617 HydrophobicContact CD1-CD1 3.93Å
536S90.3Very high76.7Confident70 Ų7077.2 Ų77.249%0.4941%0.411SS..EExtended strand (participates in β ladder)trans-92.2132.517456.20000111.3C613S536-C613 CarbonylContact C-O 3.55Å; S536-C613 WeakPolarHBondContact CA-O 3.47Å
537L89.9Confident79.2Confident5 Ų572.3 Ų72.33%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-146.5157.4178.968.894.5000112.3C539 L542 V570 I572 C613 L615L537-C539 HydrophobicContact CD1-CB 3.63Å; L537-C539 VanDerWaalsContact CD1-SG 3.57Å; L537-L542 HydrophobicContact CD1-CD1 4.26Å; L537-V570 HydrophobicContact CB-CB 4.36Å; L537-V570 HydrophobicContact CB-CG2 3.71Å; L537-I572 HydrophobicContact CD2-CD1 3.66Å; L537-C613 PolarHBondContact N-O 2.96Å; L537-C613 PolarHBondContact O-N 3.47Å; L537-L615 HydrophobicContact CD2-CD1 3.84Å; L537-L615 HydrophobicContact CD2-CG 4.48Å
538Q87.5Confident81.5Confident124 Ų12463.7 Ų63.758%0.57936%0.36SS*.EExtended strand (participates in β ladder)trans-107120.2173.8-17174.618.600108.9A566 G611Q538-A566 WeakPolarHBondContact O-CB 3.34Å; Q538-G611 WeakPolarHBondContact CA-O 3.35Å
539C82.3Confident84Confident4 Ų462 Ų623%0.02735%0.35CS..EExtended strand (participates in β ladder)trans-138.8136.3179.856.70000111.5L537 Q545 G611L537-C539 HydrophobicContact CD1-CB 3.63Å; L537-C539 VanDerWaalsContact CD1-SG 3.57Å; C539-Q545 VanDerWaalsContact CB-NE2 3.29Å; C539-G611 PolarHBondContact N-O 2.87Å; C539-G611 WeakPolarHBondContact O-CA 3.3Å; C539-G611 PolarHBondContact O-N 3.17Å; C539-G611 VanDerWaalsContact O-O 3.1Å
540E81.8Confident86.3Confident183 Ų18356.6 Ų56.686%0.85532%0.321SS*.SBendtrans-64.9-43.3174.1-64.9-173.7151.600111.6T610E540-T610 WeakPolarHBondContact O-CA 3.45Å; E540-T610 VanDerWaalsContact O-CB 3.26Å; E540-T610 WeakPolarHBondContact O-CB 3.38Å; E540-T610 VanDerWaalsContact O-CG2 3.24Å; E540-T610 WeakPolarHBondContact O-CG2 3.43Å
541A87.1Confident88Confident38 Ų3853.8 Ų53.831%0.31429%0.292SS..  trans-141.7142.4164.900000108.5S544 Q545A541-S544 PolarHBondContact O-OG 3.43Å; A541-Q545 PolarHBondContact O-NE2 3.27Å
542L88.1Confident88.8Confident1 Ų146.7 Ų46.71%0.00527%0.268CS..SBendtrans-80.8-44.4-176.8-174.657.9000112.9L537 S544 Q545 L546 L606 V609 L615L537-L542 HydrophobicContact CD1-CD1 4.26Å; L542-S544 PolarHBondContact O-N 3.42Å; L542-Q545 WeakPolarHBondContact O-CB 3.49Å; L542-Q545 PolarHBondContact O-N 3Å; L542-L546 HydrophobicContact CD1-CD2 3.63Å; L542-L546 HydrophobicContact CD1-CG 4.38Å; L542-L546 HydrophobicContact CG-CD2 3.92Å; L542-L546 HydrophobicContact CG-CG 4.36Å; L542-L546 PolarHBondContact O-N 2.91Å; L542-L606 HydrophobicContact CD2-CD2 3.56Å; L542-L606 HydrophobicContact CG-CD2 4.47Å; L542-V609 HydrophobicContact CB-CB 3.87Å; L542-V609 HydrophobicContact CB-CG1 4.02Å; L542-V609 HydrophobicContact CD2-CB 4.1Å; L542-V609 HydrophobicContact CD2-CG1 4Å; L542-V609 HydrophobicContact CD2-CG2 4.23Å; L542-V609 PolarHBondContact N-O 3.04Å; L542-L615 HydrophobicContact CD1-CD1 4.25Å; L542-L615 HydrophobicContact CD2-CD1 4.12Å; L542-L615 HydrophobicContact CD2-CD2 3.9Å
543L88.2Confident89.2Confident60 Ų6049.3 Ų49.331%0.31427%0.274SS..THydrogen-bonded Turntrans-65.3-15-179.4-84.5-172.9000115.6Q545 L546 T603 L606L543-Q545 PolarHBondContact O-N 3.24Å; L543-L546 HydrophobicContact CD2-CD1 4.32Å; L543-L546 VanDerWaalsContact O-O 3.12Å; L543-T603 HydrophobicContact CD1-CG2 3.69Å; L543-T603 VanDerWaalsContact CD1-O 3.3Å; L543-T603 WeakPolarHBondContact CD1-O 3.48Å; L543-L606 HydrophobicContact CD1-CB 4.49Å; L543-L606 HydrophobicContact CD2-CB 3.76Å; L543-L606 HydrophobicContact CD2-CD1 4.32Å; L543-L606 HydrophobicContact CG-CB 3.8Å
544S87.1Confident89.3Confident82 Ų8247 Ų4757%0.57326%0.264SS*.THydrogen-bonded Turntrans-78.2-10.2170.9600000112.9A541 L542 T562A541-S544 PolarHBondContact O-OG 3.43Å; L542-S544 PolarHBondContact O-N 3.42Å; S544-T562 PolarHBondContact O-OG1 3.41Å
545Q89.8Confident89.4Confident24 Ų2444.3 Ų44.311%0.11225%0.247CC..THydrogen-bonded Turntrans-110.6-14.9-175.9-53.5-170.126.900113.4C539 A541 L542 L543 V561 T562 A567C539-Q545 VanDerWaalsContact CB-NE2 3.29Å; A541-Q545 PolarHBondContact O-NE2 3.27Å; L542-Q545 WeakPolarHBondContact O-CB 3.49Å; L542-Q545 PolarHBondContact O-N 3Å; L543-Q545 PolarHBondContact O-N 3.24Å; Q545-V561 CarbonylContact O-C 3.45Å; Q545-V561 WeakPolarHBondContact O-CA 3.48Å; Q545-V561 WeakPolarHBondContact O-CG1 3.43Å; Q545-T562 PolarHBondContact O-N 3.45Å; Q545-T562 PolarHBondContact O-OG1 3.42Å; Q545-A567 HydrophobicContact CB-CB 3.95Å; Q545-A567 VanDerWaalsContact OE1-N 3.08Å
546L91.6Very high89.5Confident7 Ų742.5 Ų42.54%0.03724%0.237CC..EExtended strand (participates in β ladder)trans-148.1148.2178.461.187.5000111.9L542 L543 V548 Q560 L606L542-L546 HydrophobicContact CD1-CD2 3.63Å; L542-L546 HydrophobicContact CD1-CG 4.38Å; L542-L546 HydrophobicContact CG-CD2 3.92Å; L542-L546 HydrophobicContact CG-CG 4.36Å; L542-L546 PolarHBondContact O-N 2.91Å; L543-L546 HydrophobicContact CD2-CD1 4.32Å; L543-L546 VanDerWaalsContact O-O 3.12Å; L546-V548 HydrophobicContact CD1-CG1 3.81Å; L546-Q560 VanDerWaalsContact CA-O 3.32Å; L546-Q560 WeakPolarHBondContact CA-O 3.36Å; L546-L606 HydrophobicContact CD1-CD1 4.28Å
547S91.4Very high89.7Confident43 Ų4339.2 Ų39.230%0.30121%0.214SC..EExtended strand (participates in β ladder)trans-111.2150.3168.466.60000110.5H559 Q560S547-H559 PolarHBondContact O-N 3.15Å; S547-Q560 PolarHBondContact N-O 2.88Å; S547-Q560 WeakPolarHBondContact OG-CB 3.46Å; S547-Q560 PolarHBondContact OG-N 2.96Å
548V92.9Very high89.9Confident21 Ų2139 Ų3913%0.12721%0.213CC..EExtended strand (participates in β ladder)trans-123.3150.1-177.2-67.30000112.4L546 V556 F557 I578 L599 L606L546-V548 HydrophobicContact CD1-CG1 3.81Å; V548-V556 HydrophobicContact CB-CG1 3.94Å; V548-V556 HydrophobicContact CG1-CG1 4.18Å; V548-V556 HydrophobicContact CG2-CG1 4.4Å; V548-F557 CarbonylContact C-O 3.59Å; V548-F557 WeakPolarHBondContact CA-O 3.46Å; V548-I578 HydrophobicContact CG1-CD1 3.72Å; V548-L599 HydrophobicContact CG2-CD1 4.19Å; V548-L606 HydrophobicContact CG1-CD1 3.71Å; V548-L606 HydrophobicContact CG2-CD1 4.32Å
549V92.6Very high90.1Very high28 Ų2835.7 Ų35.717%0.1720%0.197CC..EExtended strand (participates in β ladder)trans-138164.4172.6-63.10000109.8F557 H559 Y624 L627V549-F557 HydrophobicContact CG2-CB 4.44Å; V549-F557 PolarHBondContact N-O 3.38Å; V549-F557 PolarHBondContact O-N 3.02Å; V549-H559 HydrophobicContact CB-CB 4.4Å; V549-H559 HydrophobicContact CG1-CB 3.78Å; V549-H559 HydrophobicContact CG2-CB 3.96Å; V549-Y624 HydrophobicContact CG2-CD2 4.43Å; V549-Y624 HydrophobicContact CG2-CE2 3.88Å; V549-L627 HydrophobicContact CG2-CD2 4.29Å
550G91.9Very high90.6Very high2 Ų241.2 Ų41.22%0.02122%0.223CC..EExtended strand (participates in β ladder)trans108.5-141.4-176.600000111.1S554 G555 S638 G639G550-S554 WeakPolarHBondContact CA-OG 3.4Å; G550-G555 WeakPolarHBondContact CA-O 3.46Å; G550-S638 PolarHBondContact O-OG 3.35Å; G550-S638 VanDerWaalsContact O-OG 3.09Å; G550-G639 VanDerWaalsContact C-CA 3.4Å; G550-G639 WeakPolarHBondContact O-CA 3.4Å; G550-G639 PolarHBondContact O-N 2.9Å
551G91.4Very high91.1Very high0 Ų033.6 Ų33.60%019%0.188CC..EExtended strand (participates in β ladder)trans150.5-167.7-173.900000111.4K553 S554 G555 S597 G639 D640G551-K553 PolarHBondContact O-N 2.91Å; G551-S554 PolarHBondContact N-OG 3.5Å; G551-S554 PolarHBondContact O-N 3.41Å; G551-G555 PolarHBondContact N-O 3.32Å; G551-G555 CarbonylContact O-C 3.6Å; G551-G555 VanDerWaalsContact O-CA 3.31Å; G551-G555 WeakPolarHBondContact O-CA 3.43Å; G551-G555 PolarHBondContact O-N 2.95Å; G551-S597 CarbonylContact C-O 3.58Å; G551-S597 VanDerWaalsContact C-O 3.25Å; G551-G639 CarbonylContact C-O 3.58Å; G551-G639 VanDerWaalsContact C-O 3.23Å; G551-D640 VanDerWaalsContact CA-OD1 3.28Å; G551-D640 WeakPolarHBondContact CA-OD1 3.2Å
552N90.9Very high91.2Very high36 Ų3635.4 Ų35.419%0.19320%0.196CC..THydrogen-bonded Turntrans-67.4-14-165.278.1-74.9000115.3D596 S597 T598 G639 D640 S641 F642N552-D596 WeakPolarHBondContact CB-O 3.37Å; N552-S597 VanDerWaalsContact CA-O 3.28Å; N552-S597 WeakPolarHBondContact CA-O 3.48Å; N552-S597 PolarHBondContact N-O 3.24Å; N552-T598 HydrophobicContact CB-CG2 4.13Å; N552-G639 PolarHBondContact N-O 3.36Å; N552-D640 PolarHBondContact N-OD1 3.3Å; N552-D640 WeakPolarHBondContact OD1-CA 3.39Å; N552-S641 PolarHBondContact ND2-O 3.2Å; N552-S641 PolarHBondContact OD1-N 2.81Å; N552-S641 PolarHBondContact OD1-O 2.88Å; N552-F642 WeakPolarHBondContact OD1-CD1 3.37Å
553K90.8Very high91.2Very high127 Ų12743.3 Ų43.355%0.55223%0.233SC*.THydrogen-bonded Turntrans-101.5-31.6178.7166.9179169.3-172.60113G551 M636 G639G551-K553 PolarHBondContact O-N 2.91Å; K553-M636 HydrophobicContact CD-CE 4.4Å; K553-G639 WeakPolarHBondContact CB-O 3.48Å; K553-G639 PolarHBondContact N-O 2.83Å
554S90.5Very high91Very high33 Ų3344 Ų4423%0.23126%0.255CS..THydrogen-bonded Turntrans-90.4-20.4176.161.70000113.4G550 G551 F557 G639G550-S554 WeakPolarHBondContact CA-OG 3.4Å; G551-S554 PolarHBondContact N-OG 3.5Å; G551-S554 PolarHBondContact O-N 3.41Å; S554-F557 VanDerWaalsContact O-CE2 3.24Å; S554-F557 WeakPolarHBondContact O-CE2 3.48Å; S554-G639 PolarHBondContact N-O 2.91Å; S554-G639 WeakPolarHBondContact OG-CA 3.49Å
555G90.5Very high91.1Very high5 Ų540.9 Ų40.95%0.05223%0.232CC..EExtended strand (participates in β ladder)trans81.1162-154.400000111.3G550 G551 F557G550-G555 WeakPolarHBondContact CA-O 3.46Å; G551-G555 PolarHBondContact N-O 3.32Å; G551-G555 CarbonylContact O-C 3.6Å; G551-G555 VanDerWaalsContact O-CA 3.31Å; G551-G555 WeakPolarHBondContact O-CA 3.43Å; G551-G555 PolarHBondContact O-N 2.95Å; G555-F557 WeakPolarHBondContact O-CD2 3.48Å; G555-F557 WeakPolarHBondContact O-CE2 3.49Å
556V93.1Very high91Very high0 Ų041.1 Ų41.10%024%0.239CC..EExtended strand (participates in β ladder)trans-97127.3-179.9-177.60000109.9V548 Q577 I578 A602V548-V556 HydrophobicContact CB-CG1 3.94Å; V548-V556 HydrophobicContact CG1-CG1 4.18Å; V548-V556 HydrophobicContact CG2-CG1 4.4Å; V556-Q577 CarbonylContact O-C 3.54Å; V556-Q577 VanDerWaalsContact O-CA 3.27Å; V556-Q577 WeakPolarHBondContact O-CA 3.25Å; V556-I578 PolarHBondContact O-N 3.35Å; V556-A602 HydrophobicContact CB-CB 4.34Å; V556-A602 HydrophobicContact CG1-CB 3.95Å; V556-A602 HydrophobicContact CG2-CB 3.71Å
557F94.3Very high90.8Very high1 Ų140.8 Ų40.80%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-119.3145.2-176-62.9-95.3000112.4V548 V549 S554 G555 H559 A576 Q577 R620 D623 Y624 L627V548-F557 CarbonylContact C-O 3.59Å; V548-F557 WeakPolarHBondContact CA-O 3.46Å; V549-F557 HydrophobicContact CG2-CB 4.44Å; V549-F557 PolarHBondContact N-O 3.38Å; V549-F557 PolarHBondContact O-N 3.02Å; S554-F557 VanDerWaalsContact O-CE2 3.24Å; S554-F557 WeakPolarHBondContact O-CE2 3.48Å; G555-F557 WeakPolarHBondContact O-CD2 3.48Å; G555-F557 WeakPolarHBondContact O-CE2 3.49Å; F557-H559 PolarHBondContact O-N 3.06Å; F557-A576 WeakPolarHBondContact CA-O 3.34Å; F557-Q577 HydrophobicContact CD1-CB 4.08Å; F557-Q577 HydrophobicContact CE1-CB 3.99Å; F557-R620 HydrophobicContact CE1-CB 3.86Å; F557-D623 HydrophobicContact CE1-CB 4.44Å; F557-D623 HydrophobicContact CZ-CB 4.01Å; F557-Y624 HydrophobicContact CB-CD2 3.69Å; F557-Y624 HydrophobicContact CB-CE2 4.19Å; F557-Y624 HydrophobicContact CD1-CD2 4.14Å; F557-Y624 HydrophobicContact CD1-CG 4.37Å; F557-Y624 AromaticContact CG-CD2 3.92Å; F557-Y624 HydrophobicContact CG-CD2 3.92Å; F557-L627 HydrophobicContact CD2-CD2 3.75Å; F557-L627 HydrophobicContact CE2-CD2 4Å
558V93.9Very high90.7Very high1 Ų143 Ų431%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-65.9123.9163.7-179.60000109.1V561 I572 P574 G575 A576 I578V558-V561 HydrophobicContact CG1-CG2 3.46Å; V558-V561 VanDerWaalsContact CG1-CG2 3.46Å; V558-I572 HydrophobicContact CG1-CG2 4.18Å; V558-I572 HydrophobicContact CG2-CG2 4.02Å; V558-P574 VanDerWaalsContact O-CA 3.3Å; V558-P574 WeakPolarHBondContact O-CA 3.36Å; V558-G575 PolarHBondContact O-N 3.21Å; V558-A576 PolarHBondContact N-O 3.37Å; V558-I578 HydrophobicContact CG2-CD1 4.05Å; V558-I578 HydrophobicContact CG2-CG1 4Å
559H92.7Very high90.4Very high54 Ų5446 Ų4625%0.2527%0.269CS..EExtended strand (participates in β ladder)trans-98.6-49179.4179.947.3000112.2S547 V549 F557 P574 Y624S547-H559 PolarHBondContact O-N 3.15Å; V549-H559 HydrophobicContact CB-CB 4.4Å; V549-H559 HydrophobicContact CG1-CB 3.78Å; V549-H559 HydrophobicContact CG2-CB 3.96Å; F557-H559 PolarHBondContact O-N 3.06Å; H559-P574 WeakPolarHBondContact O-CB 3.48Å; H559-P574 WeakPolarHBondContact O-CG 3.42Å; H559-Y624 PolarHBondContact ND1-OH 3.05Å; H559-Y624 PolarHBondContact O-OH 3.3Å
560Q91.7Very high90.1Very high119 Ų11947.1 Ų47.156%0.55628%0.276SS*.EExtended strand (participates in β ladder)trans-138.9155.2176-56.1172.524.300109.6L546 S547L546-Q560 VanDerWaalsContact CA-O 3.32Å; L546-Q560 WeakPolarHBondContact CA-O 3.36Å; S547-Q560 PolarHBondContact N-O 2.88Å; S547-Q560 WeakPolarHBondContact OG-CB 3.46Å; S547-Q560 PolarHBondContact OG-N 2.96Å
561V91.9Very high89.8Confident23 Ų2349.5 Ų49.514%0.13930%0.3CS..EExtended strand (participates in β ladder)trans-133.7127.2176.7-174.60000107.8Q545 V558 E563 A567 H568 I572Q545-V561 CarbonylContact O-C 3.45Å; Q545-V561 WeakPolarHBondContact O-CA 3.48Å; Q545-V561 WeakPolarHBondContact O-CG1 3.43Å; V558-V561 HydrophobicContact CG1-CG2 3.46Å; V558-V561 VanDerWaalsContact CG1-CG2 3.46Å; V561-E563 PolarHBondContact O-N 3.19Å; V561-A567 HydrophobicContact CG1-CB 3.83Å; V561-H568 HydrophobicContact CG1-CB 3.98Å; V561-I572 HydrophobicContact CG2-CB 4.49Å; V561-I572 HydrophobicContact CG2-CG2 4.03Å
562T90.8Very high89.7Confident76 Ų7649.9 Ų49.947%0.46630%0.302SS..  trans-62.9122.8-177.7-53.60000109.9S544 Q545 S565 H568S544-T562 PolarHBondContact O-OG1 3.41Å; Q545-T562 PolarHBondContact O-N 3.45Å; Q545-T562 PolarHBondContact O-OG1 3.42Å; T562-S565 WeakPolarHBondContact O-CB 3.44Å; T562-S565 PolarHBondContact O-N 2.88Å; T562-S565 PolarHBondContact O-OG 2.95Å; T562-H568 WeakPolarHBondContact O-CB 3.48Å
563E87.9Confident89.5Confident168 Ų16851.5 Ų51.579%0.78532%0.316SS*.THydrogen-bonded Turntrans-61.2141.2179.5-63.4-167.9159.500111.4V561 S565V561-E563 PolarHBondContact O-N 3.19Å; E563-S565 PolarHBondContact O-N 3.44Å
564G83.5Confident89.6Confident75 Ų7548.1 Ų48.177%0.77331%0.307SS*.THydrogen-bonded Turntrans73.8-2.4-175.800000115.9
565S89.5Confident89.5Confident15 Ų1546.6 Ų46.611%0.10530%0.297CS..SBendtrans-71.2167.3174.870.10000113.5T562 E563 A567 H568 A569T562-S565 WeakPolarHBondContact O-CB 3.44Å; T562-S565 PolarHBondContact O-N 2.88Å; T562-S565 PolarHBondContact O-OG 2.95Å; E563-S565 PolarHBondContact O-N 3.44Å; S565-A567 VanDerWaalsContact C-N 3.34Å; S565-H568 PolarHBondContact O-N 3.21Å; S565-H568 WeakPolarHBondContact OG-CB 3.4Å; S565-H568 PolarHBondContact OG-N 3.3Å; S565-H568 VanDerWaalsContact OG-N 3.1Å; S565-A569 WeakPolarHBondContact O-CB 3.44Å; S565-A569 PolarHBondContact O-N 2.9Å
566A87.3Confident89.6Confident30 Ų3046.7 Ų46.725%0.24830%0.298CS..Hα-helixtrans-65.7-37.717400000111.6Q538 H568 A569 V570Q538-A566 WeakPolarHBondContact O-CB 3.34Å; A566-H568 VanDerWaalsContact C-N 3.32Å; A566-H568 PolarHBondContact O-N 3.31Å; A566-A569 PolarHBondContact O-N 3.27Å; A566-V570 WeakPolarHBondContact O-CG2 3.37Å; A566-V570 PolarHBondContact O-N 3.28Å
567A87.5Confident89.6Confident0 Ų047 Ų470%030%0.299CS..Hα-helixtrans-56.3-44.617100000112.1Q545 V561 S565 G571 I572Q545-A567 HydrophobicContact CB-CB 3.95Å; Q545-A567 VanDerWaalsContact OE1-N 3.08Å; V561-A567 HydrophobicContact CG1-CB 3.83Å; S565-A567 VanDerWaalsContact C-N 3.34Å; A567-G571 PolarHBondContact O-N 2.85Å; A567-I572 HydrophobicContact CB-CD1 4.03Å; A567-I572 WeakPolarHBondContact O-CB 3.45Å; A567-I572 WeakPolarHBondContact O-CG1 3.49Å; A567-I572 PolarHBondContact O-N 2.88Å; A567-I572 VanDerWaalsContact O-N 3.08Å
568H88.1Confident89.5Confident89 Ų8946.9 Ų46.941%0.41230%0.299SS..Hα-helixtrans-66.7-43.5175.4-173.599.3000112.1V561 T562 S565 A566 V570 G571V561-H568 HydrophobicContact CG1-CB 3.98Å; T562-H568 WeakPolarHBondContact O-CB 3.48Å; S565-H568 PolarHBondContact O-N 3.21Å; S565-H568 WeakPolarHBondContact OG-CB 3.4Å; S565-H568 PolarHBondContact OG-N 3.3Å; S565-H568 VanDerWaalsContact OG-N 3.1Å; A566-H568 VanDerWaalsContact C-N 3.32Å; A566-H568 PolarHBondContact O-N 3.31Å; H568-V570 VanDerWaalsContact C-N 3.31Å; H568-V570 PolarHBondContact O-N 3.31Å; H568-G571 WeakPolarHBondContact O-CA 3.46Å; H568-G571 PolarHBondContact O-N 3.43Å
569A87.4Confident89.3Confident84 Ų8447.5 Ų47.569%0.69430%0.302SS*.Hα-helixtrans-63.9-32.3-17900000113.6S565 A566 G571S565-A569 WeakPolarHBondContact O-CB 3.44Å; S565-A569 PolarHBondContact O-N 2.9Å; A566-A569 PolarHBondContact O-N 3.27Å; A569-G571 VanDerWaalsContact C-N 3.26Å
570V87.1Confident89.2Confident52 Ų5245.8 Ų45.832%0.31529%0.294SS..THydrogen-bonded Turntrans-81.6-5.5174.5178.10000112.3L535 L537 A566 H568L535-V570 HydrophobicContact CB-CG1 3.85Å; L535-V570 HydrophobicContact CD1-CG1 4.34Å; L535-V570 HydrophobicContact CD2-CG1 4.14Å; L535-V570 HydrophobicContact CG-CG1 4.33Å; L537-V570 HydrophobicContact CB-CB 4.36Å; L537-V570 HydrophobicContact CB-CG2 3.71Å; A566-V570 WeakPolarHBondContact O-CG2 3.37Å; A566-V570 PolarHBondContact O-N 3.28Å; H568-V570 VanDerWaalsContact C-N 3.31Å; H568-V570 PolarHBondContact O-N 3.31Å
571G85Confident89.2Confident51 Ų5140.2 Ų40.253%0.52627%0.268SS..THydrogen-bonded Turntrans91.221.2171.300000115.1A567 H568 A569A567-G571 PolarHBondContact O-N 2.85Å; H568-G571 WeakPolarHBondContact O-CA 3.46Å; H568-G571 PolarHBondContact O-N 3.43Å; A569-G571 VanDerWaalsContact C-N 3.26Å
572I89.7Confident89Confident8 Ų843.1 Ų43.14%0.04128%0.277CS..  trans-65.3134.5172-57-178.5000108.8L535 L537 V558 V561 A567 L615 L617L535-I572 HydrophobicContact CD1-CG1 3.89Å; L537-I572 HydrophobicContact CD2-CD1 3.66Å; V558-I572 HydrophobicContact CG1-CG2 4.18Å; V558-I572 HydrophobicContact CG2-CG2 4.02Å; V561-I572 HydrophobicContact CG2-CB 4.49Å; V561-I572 HydrophobicContact CG2-CG2 4.03Å; A567-I572 HydrophobicContact CB-CD1 4.03Å; A567-I572 WeakPolarHBondContact O-CB 3.45Å; A567-I572 WeakPolarHBondContact O-CG1 3.49Å; A567-I572 PolarHBondContact O-N 2.88Å; A567-I572 VanDerWaalsContact O-N 3.08Å; I572-L615 HydrophobicContact CD1-CD1 3.65Å; I572-L617 HydrophobicContact CB-CD1 4.46Å; I572-L617 HydrophobicContact CD1-CD1 4.33Å; I572-L617 HydrophobicContact CG1-CD1 4Å; I572-L617 HydrophobicContact CG2-CD1 3.96Å
573S86.3Confident88.8Confident70 Ų7040 Ų4049%0.4926%0.256SS..  trans-133.2155.6-179.257.60000111.6
574P91.8Very high88.5Confident56 Ų5637.3 Ų37.336%0.36424%0.244SC..THydrogen-bonded Turntrans-53.6150.6170.5-27.836.9000113.1V558 H559 A576 Y624V558-P574 VanDerWaalsContact O-CA 3.3Å; V558-P574 WeakPolarHBondContact O-CA 3.36Å; H559-P574 WeakPolarHBondContact O-CB 3.48Å; H559-P574 WeakPolarHBondContact O-CG 3.42Å; P574-A576 VanDerWaalsContact C-N 3.32Å; P574-Y624 HydrophobicContact CB-CE1 4.42Å
575G90.2Very high88.3Confident2 Ų236.8 Ų36.82%0.02122%0.222CC..THydrogen-bonded Turntrans82.15-179.100000115.3V558 R620V558-G575 PolarHBondContact O-N 3.21Å; G575-R620 CarbonylContact O-C 3.6Å; G575-R620 PolarHBondContact O-N 3.42Å; G575-R620 VanDerWaalsContact O-N 3.09Å
576A91.5Very high87.5Confident7 Ų743.3 Ų43.36%0.05826%0.255CS..EExtended strand (participates in β ladder)trans-85.3122.7166.900000110.7F557 V558 P574 L617F557-A576 WeakPolarHBondContact CA-O 3.34Å; V558-A576 PolarHBondContact N-O 3.37Å; P574-A576 VanDerWaalsContact C-N 3.32Å; A576-L617 HydrophobicContact CB-CB 4.29Å; A576-L617 HydrophobicContact CB-CD1 4.24Å
577Q93.1Very high86.6Confident5 Ų547 Ų472%0.02328%0.279CS..EExtended strand (participates in β ladder)trans-72.5132169-173-169.24.300109V556 F557 L617 R618 R620V556-Q577 CarbonylContact O-C 3.54Å; V556-Q577 VanDerWaalsContact O-CA 3.27Å; V556-Q577 WeakPolarHBondContact O-CA 3.25Å; F557-Q577 HydrophobicContact CD1-CB 4.08Å; F557-Q577 HydrophobicContact CE1-CB 3.99Å; Q577-L617 CarbonylContact O-C 2.92Å; Q577-L617 VanDerWaalsContact O-CA 3.3Å; Q577-L617 WeakPolarHBondContact O-CA 3.33Å; Q577-R618 HydrophobicContact CB-CB 4.36Å; Q577-R618 WeakPolarHBondContact CB-O 3.46Å; Q577-R618 PolarHBondContact N-O 3.24Å; Q577-R618 PolarHBondContact O-N 3.38Å; Q577-R620 VanDerWaalsContact OE1-CD 3.29Å
578I92.9Very high86Confident0 Ų053.6 Ų53.60%030%0.304CS..EExtended strand (participates in β ladder)trans-87116.3172.8-48.9176.3000107.8V548 V556 V558 V581 L594 L606 L617V548-I578 HydrophobicContact CG1-CD1 3.72Å; V556-I578 PolarHBondContact O-N 3.35Å; V558-I578 HydrophobicContact CG2-CD1 4.05Å; V558-I578 HydrophobicContact CG2-CG1 4Å; I578-V581 HydrophobicContact CG2-CG2 4.1Å; I578-L594 HydrophobicContact CG2-CD1 4Å; I578-L606 HydrophobicContact CD1-CD1 3.85Å; I578-L606 HydrophobicContact CD1-CD2 4.31Å; I578-L617 HydrophobicContact CB-CD2 4.18Å; I578-L617 HydrophobicContact CG1-CD2 3.83Å; I578-L617 HydrophobicContact CG2-CD2 4.17Å
579V90.4Very high85.5Confident13 Ų1352 Ų528%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-96-44.5-177.1174.20000111L594 E595 S616 R618V579-L594 PolarHBondContact O-N 3.05Å; V579-E595 HydrophobicContact CG1-CB 4.39Å; V579-E595 WeakPolarHBondContact CG1-OE2 3.48Å; V579-E595 PolarHBondContact O-N 3.38Å; V579-S616 WeakPolarHBondContact CB-O 3.44Å; V579-S616 PolarHBondContact N-O 3.06Å; V579-R618 HydrophobicContact CG2-CB 3.82Å
580E90.6Very high85.2Confident19 Ų1948.7 Ų48.79%0.08928%0.277CS..EExtended strand (participates in β ladder)trans-152.2148-175.2-170.3-174.9129.600110.7R582 R591 M592 V593 S616E580-R582 IonicContact OE1-CZ 3.22Å; E580-R582 IonicContact OE1-NE 3.14Å; E580-R582 PolarHBondContact OE1-NE 2.92Å; E580-R582 IonicContact OE1-NH2 2.67Å; E580-R582 PolarHBondContact OE1-NH2 2.99Å; E580-R591 HydrophobicContact CG-CG 4.33Å; E580-R591 IonicContact OE1-CZ 3.43Å; E580-R591 IonicContact OE1-NE 3.49Å; E580-R591 PolarHBondContact OE1-NE 3.34Å; E580-R591 IonicContact OE1-NH2 2.91Å; E580-R591 IonicContact OE2-CZ 3.64Å; E580-R591 IonicContact OE2-NE 2.65Å; E580-R591 PolarHBondContact OE2-NE 3.01Å; E580-R591 IonicContact OE2-NH2 3.89Å; E580-R591 PolarHBondContact OE2-NH2 3.47Å; E580-M592 CarbonylContact C-O 3.5Å; E580-M592 WeakPolarHBondContact CA-O 3.35Å; E580-V593 HydrophobicContact CG-CG2 4.34Å; E580-S616 PolarHBondContact N-O 3.45Å; E580-S616 PolarHBondContact O-N 3.43Å
581V89.9Confident85Confident1 Ų150.7 Ų50.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-125.4131.5174.5-177.40000108.2I578 M592 L594 L606 V609 L615I578-V581 HydrophobicContact CG2-CG2 4.1Å; V581-M592 HydrophobicContact CB-CB 4.42Å; V581-M592 PolarHBondContact N-O 3.35Å; V581-M592 PolarHBondContact O-N 3.01Å; V581-L594 HydrophobicContact CG2-CD1 3.61Å; V581-L594 HydrophobicContact CG2-CG 4.3Å; V581-L606 HydrophobicContact CG2-CD2 3.92Å; V581-V609 HydrophobicContact CG1-CG2 3.72Å; V581-L615 HydrophobicContact CB-CD2 4.14Å; V581-L615 HydrophobicContact CG1-CD2 3.83Å; V581-L615 HydrophobicContact CG2-CD2 3.69Å
582R88.2Confident85Confident85 Ų8548.8 Ų48.832%0.32126%0.256SS..EExtended strand (participates in β ladder)trans-118.6138.9164.8-55.6-179.7-170.3-154.3-4.5109E580 L590 R591 C613 Q614E580-R582 IonicContact OE1-CZ 3.22Å; E580-R582 IonicContact OE1-NE 3.14Å; E580-R582 PolarHBondContact OE1-NE 2.92Å; E580-R582 IonicContact OE1-NH2 2.67Å; E580-R582 PolarHBondContact OE1-NH2 2.99Å; R582-L590 WeakPolarHBondContact CA-O 3.44Å; R582-R591 HydrophobicContact CG-CG 4.3Å; R582-C613 CarbonylContact O-C 3.58Å; R582-C613 WeakPolarHBondContact O-CA 3.36Å; R582-C613 WeakPolarHBondContact O-CB 3.42Å; R582-Q614 HydrophobicContact CB-CB 4.32Å; R582-Q614 PolarHBondContact N-O 3.06Å; R582-Q614 PolarHBondContact O-N 3.46Å
583Y86.4Confident84.9Confident9 Ų951 Ų514%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-149.7158.3174.573.1-73.6000110.3Q585 L590 M592 V609Y583-Q585 HydrophobicContact CD2-CB 4.22Å; Y583-Q585 HydrophobicContact CE2-CB 3.77Å; Y583-Q585 HydrophobicContact CE2-CG 4.29Å; Y583-Q585 VanDerWaalsContact CE2-OE1 3.31Å; Y583-Q585 PolarHBondContact OH-OE1 2.66Å; Y583-L590 HydrophobicContact CD1-CB 4.16Å; Y583-L590 HydrophobicContact CE1-CB 3.77Å; Y583-L590 HydrophobicContact CE1-CD1 4.28Å; Y583-L590 HydrophobicContact CE2-CD1 4.15Å; Y583-L590 PolarHBondContact N-O 3.5Å; Y583-L590 VanDerWaalsContact N-O 3.07Å; Y583-L590 PolarHBondContact O-N 3.1Å; Y583-L590 WeakPolarHBondContact OH-CD1 3.3Å; Y583-M592 HydrophobicContact CE1-CG 4.44Å; Y583-M592 HydrophobicContact CE1-SD 4.04Å; Y583-V609 HydrophobicContact CD1-CG2 4.2Å; Y583-V609 HydrophobicContact CG-CG2 4.31Å
584E82.3Confident85Confident112 Ų11247.8 Ų47.852%0.52325%0.247SC..EExtended strand (participates in β ladder)trans-101.1127.8177-167.8-176.5165.800110.2S587 R588E584-S587 WeakPolarHBondContact OE1-CA 3.49Å; E584-R588 WeakPolarHBondContact CA-O 3.44Å
585Q78.4Confident84.6Confident65 Ų6548 Ų4830%0.30424%0.243SC..EExtended strand (participates in β ladder)trans-137.1126.3177.1-163.6171.421.200109.7Y583 S587 R588 L590Y583-Q585 HydrophobicContact CD2-CB 4.22Å; Y583-Q585 HydrophobicContact CE2-CB 3.77Å; Y583-Q585 HydrophobicContact CE2-CG 4.29Å; Y583-Q585 VanDerWaalsContact CE2-OE1 3.31Å; Y583-Q585 PolarHBondContact OH-OE1 2.66Å; Q585-S587 PolarHBondContact O-N 3.45Å; Q585-R588 PolarHBondContact N-O 2.95Å; Q585-R588 WeakPolarHBondContact O-CB 3.47Å; Q585-R588 PolarHBondContact O-N 3.03Å; Q585-L590 HydrophobicContact CB-CD1 3.78Å
586N73.9Confident84.3Confident152 Ų15252.7 Ų52.781%0.81327%0.268SS*.THydrogen-bonded Turntrans50.840.2-178.6-56.4-30.6000113.8R588N586-R588 VanDerWaalsContact C-N 3.26Å; N586-R588 PolarHBondContact O-N 3.02Å
587S69.1Low84.3Confident107 Ų10752.6 Ų52.675%0.74827%0.267SS*.THydrogen-bonded Turntrans59.429.9-175-57.20000115.1E584 Q585E584-S587 WeakPolarHBondContact OE1-CA 3.49Å; Q585-S587 PolarHBondContact O-N 3.45Å
588R74Confident84.2Confident139 Ų13952.5 Ų52.553%0.52527%0.267SS..EExtended strand (participates in β ladder)trans-117.4134.3167.5-58.9-175.2176-159.2-12.8109.6E584 Q585 N586 L590 E756E584-R588 WeakPolarHBondContact CA-O 3.44Å; Q585-R588 PolarHBondContact N-O 2.95Å; Q585-R588 WeakPolarHBondContact O-CB 3.47Å; Q585-R588 PolarHBondContact O-N 3.03Å; N586-R588 VanDerWaalsContact C-N 3.26Å; N586-R588 PolarHBondContact O-N 3.02Å; R588-L590 HydrophobicContact CB-CD2 4.28Å; R588-E756 WeakPolarHBondContact CD-OE1 3.48Å; R588-E756 IonicContact CZ-OE1 2.76Å; R588-E756 IonicContact CZ-OE2 2.74Å; R588-E756 IonicContact NE-OE1 3.24Å; R588-E756 IonicContact NH1-OE1 3.86Å; R588-E756 PolarHBondContact NH1-OE1 3.29Å; R588-E756 IonicContact NH1-OE2 2.85Å; R588-E756 PolarHBondContact NH1-OE2 2.98Å
589A77.2Confident84.1Confident55 Ų5553.4 Ų53.446%0.45527%0.271SS..EExtended strand (participates in β ladder)trans-78118.916800000108.9
590L81.3Confident84.2Confident14 Ų1454.3 Ų54.37%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-110.9132.8-180-60.4-179.2000109.5R582 Y583 Q585 R588 V754 E756R582-L590 WeakPolarHBondContact CA-O 3.44Å; Y583-L590 HydrophobicContact CD1-CB 4.16Å; Y583-L590 HydrophobicContact CE1-CB 3.77Å; Y583-L590 HydrophobicContact CE1-CD1 4.28Å; Y583-L590 HydrophobicContact CE2-CD1 4.15Å; Y583-L590 PolarHBondContact N-O 3.5Å; Y583-L590 VanDerWaalsContact N-O 3.07Å; Y583-L590 PolarHBondContact O-N 3.1Å; Y583-L590 WeakPolarHBondContact OH-CD1 3.3Å; Q585-L590 HydrophobicContact CB-CD1 3.78Å; R588-L590 HydrophobicContact CB-CD2 4.28Å; L590-V754 HydrophobicContact CB-CG1 4.15Å; L590-V754 HydrophobicContact CD1-CG1 4.27Å; L590-V754 HydrophobicContact CD2-CG1 3.99Å; L590-V754 HydrophobicContact CG-CG1 4.36Å; L590-E756 HydrophobicContact CD2-CG 4.06Å
591R83.6Confident84.1Confident94 Ų9454 Ų5436%0.35527%0.274SS..EExtended strand (participates in β ladder)trans-119.9127.6-175.2-174.3176-178.9-142.5-8.9110E580 R582E580-R591 HydrophobicContact CG-CG 4.33Å; E580-R591 IonicContact OE1-CZ 3.43Å; E580-R591 IonicContact OE1-NE 3.49Å; E580-R591 PolarHBondContact OE1-NE 3.34Å; E580-R591 IonicContact OE1-NH2 2.91Å; E580-R591 IonicContact OE2-CZ 3.64Å; E580-R591 IonicContact OE2-NE 2.65Å; E580-R591 PolarHBondContact OE2-NE 3.01Å; E580-R591 IonicContact OE2-NH2 3.89Å; E580-R591 PolarHBondContact OE2-NH2 3.47Å; R582-R591 HydrophobicContact CG-CG 4.3Å
592M84.9Confident84.1Confident11 Ų1154 Ų545%0.05427%0.273CS..EExtended strand (participates in β ladder)trans-129.2109.4-179.3-57-168.67600110E580 V581 Y583 W604 A605 V752 V754E580-M592 CarbonylContact C-O 3.5Å; E580-M592 WeakPolarHBondContact CA-O 3.35Å; V581-M592 HydrophobicContact CB-CB 4.42Å; V581-M592 PolarHBondContact N-O 3.35Å; V581-M592 PolarHBondContact O-N 3.01Å; Y583-M592 HydrophobicContact CE1-CG 4.44Å; Y583-M592 HydrophobicContact CE1-SD 4.04Å; M592-W604 HydrophobicContact CE-CE3 4.26Å; M592-W604 HydrophobicContact CE-CZ3 3.95Å; M592-A605 HydrophobicContact CE-CB 3.35Å; M592-A605 HydrophobicContact SD-CB 3.72Å; M592-V752 HydrophobicContact CE-CG1 3.69Å; M592-V754 HydrophobicContact CE-CG2 4.17Å
593V86.4Confident84.2Confident56 Ų5650.8 Ų50.834%0.33926%0.263SS..EExtended strand (participates in β ladder)trans-79.2130.7169.2-179.40000108.4E580 E595 R747E580-V593 HydrophobicContact CG-CG2 4.34Å; V593-E595 HydrophobicContact CG1-CB 4.35Å; V593-R747 PolarHBondContact O-NH2 2.87Å
594L88.3Confident84.3Confident2 Ų255.6 Ų55.61%0.0128%0.281CS..  trans-119.5-1.4-177-63.3-174.5000113.9I578 V579 V581 D596 S597 A602 A605 L606I578-L594 HydrophobicContact CG2-CD1 4Å; V579-L594 PolarHBondContact O-N 3.05Å; V581-L594 HydrophobicContact CG2-CD1 3.61Å; V581-L594 HydrophobicContact CG2-CG 4.3Å; L594-D596 VanDerWaalsContact C-N 3.32Å; L594-D596 PolarHBondContact O-N 3.36Å; L594-S597 PolarHBondContact O-N 2.88Å; L594-S597 VanDerWaalsContact O-N 3.08Å; L594-A602 HydrophobicContact CD1-CB 4.27Å; L594-A602 HydrophobicContact CD2-CB 4.18Å; L594-A605 HydrophobicContact CD2-CB 3.87Å; L594-L606 HydrophobicContact CD1-CD2 4.3Å; L594-L606 HydrophobicContact CD1-CG 4.24Å
595E84.3Confident84.6Confident60 Ų6050.3 Ų50.328%0.2826%0.257SS..THydrogen-bonded Turntrans-53.1-45.3-175.3-178.3149.9-16100113.4V579 V593 R618V579-E595 HydrophobicContact CG1-CB 4.39Å; V579-E595 WeakPolarHBondContact CG1-OE2 3.48Å; V579-E595 PolarHBondContact O-N 3.38Å; V593-E595 HydrophobicContact CG1-CB 4.35Å; E595-R618 VanDerWaalsContact CD-NH2 3.26Å; E595-R618 IonicContact OE1-CZ 2.71Å; E595-R618 IonicContact OE1-NH1 2.8Å; E595-R618 PolarHBondContact OE1-NH1 2.95Å; E595-R618 IonicContact OE1-NH2 3.48Å; E595-R618 PolarHBondContact OE1-NH2 2.91Å; E595-R618 IonicContact OE2-CZ 3.55Å; E595-R618 IonicContact OE2-NH1 3.37Å; E595-R618 IonicContact OE2-NH2 3.67Å; E595-R618 PolarHBondContact OE2-NH2 3.28Å
596D84.5Confident85.2Confident101 Ų10147.2 Ų47.254%0.5424%0.242SC..THydrogen-bonded Turntrans-106.120.2176.6-47.2-68.6000113.5N552 L594N552-D596 WeakPolarHBondContact CB-O 3.37Å; L594-D596 VanDerWaalsContact C-N 3.32Å; L594-D596 PolarHBondContact O-N 3.36Å
597S89.9Confident85.9Confident5 Ų541.7 Ų41.74%0.03522%0.221CC..  trans-82.5149.2-177.9-95.80000113.7G551 N552 L594 E601 R747G551-S597 CarbonylContact C-O 3.58Å; G551-S597 VanDerWaalsContact C-O 3.25Å; N552-S597 VanDerWaalsContact CA-O 3.28Å; N552-S597 WeakPolarHBondContact CA-O 3.48Å; N552-S597 PolarHBondContact N-O 3.24Å; L594-S597 PolarHBondContact O-N 2.88Å; L594-S597 VanDerWaalsContact O-N 3.08Å; S597-E601 VanDerWaalsContact CA-OE2 3.24Å; S597-E601 WeakPolarHBondContact CA-OE2 3.32Å; S597-E601 WeakPolarHBondContact CB-OE2 3.5Å; S597-E601 PolarHBondContact OG-OE2 2.91Å; S597-R747 PolarHBondContact OG-NH2 3.14Å
598T92.1Very high86.6Confident2 Ų239.5 Ų39.51%0.01220%0.199CC..  trans-69.3162.5171.772.90000111.3N552 E600 E601 A602 D640 F642 T671N552-T598 HydrophobicContact CB-CG2 4.13Å; T598-E600 VanDerWaalsContact C-N 3.3Å; T598-E600 PolarHBondContact O-N 2.9Å; T598-E601 PolarHBondContact N-OE2 3.36Å; T598-E601 PolarHBondContact O-N 3.14Å; T598-E601 VanDerWaalsContact OG1-CG 3.31Å; T598-E601 WeakPolarHBondContact OG1-CG 3.42Å; T598-E601 PolarHBondContact OG1-N 2.91Å; T598-E601 VanDerWaalsContact OG1-N 3.17Å; T598-A602 WeakPolarHBondContact O-CB 3.38Å; T598-A602 PolarHBondContact O-N 3.35Å; T598-D640 VanDerWaalsContact CA-OD1 3.26Å; T598-D640 WeakPolarHBondContact CA-OD1 3.39Å; T598-D640 WeakPolarHBondContact CB-OD1 3.44Å; T598-F642 HydrophobicContact CG2-CD1 4.24Å; T598-F642 HydrophobicContact CG2-CE1 3.64Å; T598-F642 HydrophobicContact CG2-CZ 4.26Å; T598-T671 HydrophobicContact CG2-CG2 4.08Å
599L91.6Very high87.3Confident20 Ų2032.9 Ų32.911%0.10517%0.174CC..Hα-helixtrans-62.2-36.6177.5-171.260.4000112.3V548 T603 D640 T671 R672V548-L599 HydrophobicContact CG2-CD1 4.19Å; L599-T603 VanDerWaalsContact O-CB 3.24Å; L599-T603 WeakPolarHBondContact O-CB 3.37Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 3.16Å; L599-D640 WeakPolarHBondContact CB-OD2 3.16Å; L599-D640 PolarHBondContact N-OD1 2.98Å; L599-T671 PolarHBondContact N-OG1 3.21Å; L599-R672 HydrophobicContact CD2-CB 4.29Å; L599-R672 HydrophobicContact CG-CB 4.32Å
600E91.3Very high87.7Confident31 Ų3133.4 Ų33.415%0.14517%0.172CC..Hα-helixtrans-62.9-51.1171.9-175.5-177.8-155.500111.7T598 A602 T603 W604 T671 W680 N700T598-E600 VanDerWaalsContact C-N 3.3Å; T598-E600 PolarHBondContact O-N 2.9Å; E600-A602 PolarHBondContact O-N 2.88Å; E600-T603 PolarHBondContact O-N 3.15Å; E600-W604 WeakPolarHBondContact O-CB 3.44Å; E600-W604 PolarHBondContact O-N 3.38Å; E600-T671 PolarHBondContact N-OG1 3Å; E600-W680 PolarHBondContact OE2-NE1 2.71Å; E600-N700 PolarHBondContact OE1-ND2 3.15Å
601E89.1Confident87.9Confident14 Ų1433.9 Ų33.97%0.06518%0.179CC..Hα-helixtrans-58.4-48.7179.4-74-177.1155.500112.1S597 T598 W604 A605 P749 V752S597-E601 VanDerWaalsContact CA-OE2 3.24Å; S597-E601 WeakPolarHBondContact CA-OE2 3.32Å; S597-E601 WeakPolarHBondContact CB-OE2 3.5Å; S597-E601 PolarHBondContact OG-OE2 2.91Å; T598-E601 PolarHBondContact N-OE2 3.36Å; T598-E601 PolarHBondContact O-N 3.14Å; T598-E601 VanDerWaalsContact OG1-CG 3.31Å; T598-E601 WeakPolarHBondContact OG1-CG 3.42Å; T598-E601 PolarHBondContact OG1-N 2.91Å; T598-E601 VanDerWaalsContact OG1-N 3.17Å; E601-W604 PolarHBondContact O-N 2.92Å; E601-A605 VanDerWaalsContact O-CB 3.28Å; E601-A605 WeakPolarHBondContact O-CB 3.42Å; E601-A605 PolarHBondContact O-N 3.19Å; E601-P749 VanDerWaalsContact OE1-CA 3.31Å; E601-P749 WeakPolarHBondContact OE1-CA 3.45Å; E601-V752 HydrophobicContact CB-CG2 4.08Å; E601-V752 HydrophobicContact CG-CG2 3.89Å
602A90.3Very high88.1Confident0 Ų034.4 Ų34.40%019%0.185CC..Hα-helixtrans-70-35.7-177.100000112.1V556 L594 T598 E600 L606V556-A602 HydrophobicContact CB-CB 4.34Å; V556-A602 HydrophobicContact CG1-CB 3.95Å; V556-A602 HydrophobicContact CG2-CB 3.71Å; L594-A602 HydrophobicContact CD1-CB 4.27Å; L594-A602 HydrophobicContact CD2-CB 4.18Å; T598-A602 WeakPolarHBondContact O-CB 3.38Å; T598-A602 PolarHBondContact O-N 3.35Å; E600-A602 PolarHBondContact O-N 2.88Å; A602-L606 WeakPolarHBondContact O-CB 3.48Å; A602-L606 WeakPolarHBondContact O-CD1 3.43Å; A602-L606 WeakPolarHBondContact O-CG 3.46Å; A602-L606 PolarHBondContact O-N 2.9Å
603T90.4Very high88.4Confident18 Ų1833.9 Ų33.911%0.1118%0.182CC..Hα-helixtrans-64.6-47.1171.4-550000110.2L543 L599 E600 A605 L606 G607L543-T603 HydrophobicContact CD1-CG2 3.69Å; L543-T603 VanDerWaalsContact CD1-O 3.3Å; L543-T603 WeakPolarHBondContact CD1-O 3.48Å; L599-T603 VanDerWaalsContact O-CB 3.24Å; L599-T603 WeakPolarHBondContact O-CB 3.37Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 3.16Å; E600-T603 PolarHBondContact O-N 3.15Å; T603-A605 VanDerWaalsContact C-N 3.32Å; T603-A605 PolarHBondContact O-N 2.92Å; T603-L606 PolarHBondContact O-N 3.07Å; T603-G607 PolarHBondContact O-N 2.86Å
604W88.4Confident88.5Confident110 Ų11034.6 Ų34.642%0.41718%0.182SC..Hα-helixtrans-58-45.3177.4-177.292.5000112M592 E600 E601 G607 Q608 V752 V754M592-W604 HydrophobicContact CE-CE3 4.26Å; M592-W604 HydrophobicContact CE-CZ3 3.95Å; E600-W604 WeakPolarHBondContact O-CB 3.44Å; E600-W604 PolarHBondContact O-N 3.38Å; E601-W604 PolarHBondContact O-N 2.92Å; W604-G607 PolarHBondContact O-N 3.41Å; W604-Q608 HydrophobicContact CD2-CG 4.21Å; W604-Q608 HydrophobicContact CE3-CG 3.96Å; W604-Q608 HydrophobicContact CH2-CG 3.69Å; W604-Q608 HydrophobicContact CZ2-CG 3.93Å; W604-Q608 HydrophobicContact CZ3-CG 3.7Å; W604-Q608 WeakPolarHBondContact O-CG 3.42Å; W604-Q608 PolarHBondContact O-N 3.43Å; W604-Q608 PolarHBondContact O-NE2 3.15Å; W604-V752 HydrophobicContact CD2-CG2 4.17Å; W604-V752 HydrophobicContact CE3-CB 3.95Å; W604-V752 HydrophobicContact CE3-CG1 3.67Å; W604-V752 HydrophobicContact CE3-CG2 3.8Å; W604-V752 HydrophobicContact CG-CG2 4.5Å; W604-V752 HydrophobicContact CH2-CG1 4.42Å; W604-V752 HydrophobicContact CZ3-CB 4.07Å; W604-V752 HydrophobicContact CZ3-CG1 3.52Å; W604-V752 HydrophobicContact CZ3-CG2 4.43Å; W604-V754 HydrophobicContact CH2-CG2 4.23Å; W604-V754 HydrophobicContact CZ3-CG2 4.11Å
605A88.3Confident88.7Confident1 Ų134.6 Ų34.61%0.00818%0.182CC..Hα-helixtrans-59.8-54.9179.200000112M592 L594 E601 T603 G607 Q608M592-A605 HydrophobicContact CE-CB 3.35Å; M592-A605 HydrophobicContact SD-CB 3.72Å; L594-A605 HydrophobicContact CD2-CB 3.87Å; E601-A605 VanDerWaalsContact O-CB 3.28Å; E601-A605 WeakPolarHBondContact O-CB 3.42Å; E601-A605 PolarHBondContact O-N 3.19Å; T603-A605 VanDerWaalsContact C-N 3.32Å; T603-A605 PolarHBondContact O-N 2.92Å; A605-G607 PolarHBondContact O-N 2.89Å; A605-Q608 PolarHBondContact O-N 3.13Å
606L90Very high89.1Confident0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-62.9-24.1178-64.3165.6000112L542 L543 L546 V548 I578 V581 L594 A602 T603L542-L606 HydrophobicContact CD2-CD2 3.56Å; L542-L606 HydrophobicContact CG-CD2 4.47Å; L543-L606 HydrophobicContact CD1-CB 4.49Å; L543-L606 HydrophobicContact CD2-CB 3.76Å; L543-L606 HydrophobicContact CD2-CD1 4.32Å; L543-L606 HydrophobicContact CG-CB 3.8Å; L546-L606 HydrophobicContact CD1-CD1 4.28Å; V548-L606 HydrophobicContact CG1-CD1 3.71Å; V548-L606 HydrophobicContact CG2-CD1 4.32Å; I578-L606 HydrophobicContact CD1-CD1 3.85Å; I578-L606 HydrophobicContact CD1-CD2 4.31Å; V581-L606 HydrophobicContact CG2-CD2 3.92Å; L594-L606 HydrophobicContact CD1-CD2 4.3Å; L594-L606 HydrophobicContact CD1-CG 4.24Å; A602-L606 WeakPolarHBondContact O-CB 3.48Å; A602-L606 WeakPolarHBondContact O-CD1 3.43Å; A602-L606 WeakPolarHBondContact O-CG 3.46Å; A602-L606 PolarHBondContact O-N 2.9Å; T603-L606 PolarHBondContact O-N 3.07Å
607G88.3Confident89.5Confident35 Ų3527.9 Ų27.936%0.36115%0.149SC..Hα-helixtrans-72.8-22.5172.400000115.1T603 W604 A605T603-G607 PolarHBondContact O-N 2.86Å; W604-G607 PolarHBondContact O-N 3.41Å; A605-G607 PolarHBondContact O-N 2.89Å
608Q85.6Confident89.5Confident62 Ų6229.9 Ų29.929%0.2916%0.156SC..Hα-helixtrans-82.6-16.8175.2-52.7-40.7-68.200112.8W604 A605 T610W604-Q608 HydrophobicContact CD2-CG 4.21Å; W604-Q608 HydrophobicContact CE3-CG 3.96Å; W604-Q608 HydrophobicContact CH2-CG 3.69Å; W604-Q608 HydrophobicContact CZ2-CG 3.93Å; W604-Q608 HydrophobicContact CZ3-CG 3.7Å; W604-Q608 WeakPolarHBondContact O-CG 3.42Å; W604-Q608 PolarHBondContact O-N 3.43Å; W604-Q608 PolarHBondContact O-NE2 3.15Å; A605-Q608 PolarHBondContact O-N 3.13Å; Q608-T610 PolarHBondContact O-N 3.27Å
609V86.8Confident89.4Confident0 Ų031.9 Ų31.90%017%0.169CC..  trans-74.4109-173.3-177.10000110.8L542 V581 Y583 C613L542-V609 HydrophobicContact CB-CB 3.87Å; L542-V609 HydrophobicContact CB-CG1 4.02Å; L542-V609 HydrophobicContact CD2-CB 4.1Å; L542-V609 HydrophobicContact CD2-CG1 4Å; L542-V609 HydrophobicContact CD2-CG2 4.23Å; L542-V609 PolarHBondContact N-O 3.04Å; V581-V609 HydrophobicContact CG1-CG2 3.72Å; Y583-V609 HydrophobicContact CD1-CG2 4.2Å; Y583-V609 HydrophobicContact CG-CG2 4.31Å; V609-C613 HydrophobicContact CG1-CB 3.48Å; V609-C613 VanDerWaalsContact CG1-CB 3.48Å
610T85.8Confident89.2Confident66 Ų6635.3 Ų35.341%0.40518%0.18SC..  trans-132.7143.8175.761.10000109.2E540 Q608E540-T610 WeakPolarHBondContact O-CA 3.45Å; E540-T610 VanDerWaalsContact O-CB 3.26Å; E540-T610 WeakPolarHBondContact O-CB 3.38Å; E540-T610 VanDerWaalsContact O-CG2 3.24Å; E540-T610 WeakPolarHBondContact O-CG2 3.43Å; Q608-T610 PolarHBondContact O-N 3.27Å
611G85.9Confident89.2Confident23 Ų2336.7 Ų36.724%0.23719%0.187CC..EExtended strand (participates in β ladder)trans84.8-131.1-177.600000114Q538 C539Q538-G611 WeakPolarHBondContact CA-O 3.35Å; C539-G611 PolarHBondContact N-O 2.87Å; C539-G611 WeakPolarHBondContact O-CA 3.3Å; C539-G611 PolarHBondContact O-N 3.17Å; C539-G611 VanDerWaalsContact O-O 3.1Å
612F87.8Confident89.2Confident105 Ų10541.9 Ų41.946%0.46122%0.215SC..EExtended strand (participates in β ladder)trans-88.8132.2-179-176.4-99.7000110.7
613C90.4Very high89.1Confident0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-142.7158.9174.771.30000113.4S536 L537 R582 V609S536-C613 CarbonylContact C-O 3.55Å; S536-C613 WeakPolarHBondContact CA-O 3.47Å; L537-C613 PolarHBondContact N-O 2.96Å; L537-C613 PolarHBondContact O-N 3.47Å; R582-C613 CarbonylContact O-C 3.58Å; R582-C613 WeakPolarHBondContact O-CA 3.36Å; R582-C613 WeakPolarHBondContact O-CB 3.42Å; V609-C613 HydrophobicContact CG1-CB 3.48Å; V609-C613 VanDerWaalsContact CG1-CB 3.48Å
614Q90.1Very high89.2Confident72 Ų7244.8 Ų44.834%0.33623%0.229SC..EExtended strand (participates in β ladder)trans-125118.6176.4-179.8-178.17.900108.6S534 L535 R582S534-Q614 WeakPolarHBondContact OG-CG 3.25Å; S534-Q614 PolarHBondContact OG-NE2 3.4Å; L535-Q614 WeakPolarHBondContact O-CA 3.5Å; R582-Q614 HydrophobicContact CB-CB 4.32Å; R582-Q614 PolarHBondContact N-O 3.06Å; R582-Q614 PolarHBondContact O-N 3.46Å
615L92Very high89.4Confident1 Ų143.8 Ų43.81%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-105.1127.6-179.5-61177.6000110.4S534 L535 L537 L542 I572 V581 L617S534-L615 CarbonylContact C-O 3.55Å; S534-L615 WeakPolarHBondContact CA-O 3.43Å; L535-L615 PolarHBondContact N-O 2.89Å; L535-L615 PolarHBondContact O-N 3.22Å; L537-L615 HydrophobicContact CD2-CD1 3.84Å; L537-L615 HydrophobicContact CD2-CG 4.48Å; L542-L615 HydrophobicContact CD1-CD1 4.25Å; L542-L615 HydrophobicContact CD2-CD1 4.12Å; L542-L615 HydrophobicContact CD2-CD2 3.9Å; I572-L615 HydrophobicContact CD1-CD1 3.65Å; V581-L615 HydrophobicContact CB-CD2 4.14Å; V581-L615 HydrophobicContact CG1-CD2 3.83Å; V581-L615 HydrophobicContact CG2-CD2 3.69Å; L615-L617 HydrophobicContact CB-CD2 4.22Å; L615-L617 HydrophobicContact CB-CG 4.3Å
616S91.9Very high89.5Confident16 Ų1645.9 Ų45.911%0.11225%0.246CC..EExtended strand (participates in β ladder)trans-96.7109.5170.7-670000109L533 V579 E580L533-S616 CarbonylContact O-C 3.58Å; L533-S616 WeakPolarHBondContact O-CA 3.5Å; V579-S616 WeakPolarHBondContact CB-O 3.44Å; V579-S616 PolarHBondContact N-O 3.06Å; E580-S616 PolarHBondContact N-O 3.45Å; E580-S616 PolarHBondContact O-N 3.43Å
617L92.5Very high89.5Confident4 Ų446 Ų462%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-113.8136.2-174.4-59.1-172.6000111.3V532 L533 L535 I572 A576 Q577 I578 L615V532-L617 CarbonylContact C-O 3.51Å; V532-L617 WeakPolarHBondContact CA-O 3.47Å; L533-L617 PolarHBondContact N-O 3.01Å; L533-L617 PolarHBondContact O-N 2.96Å; L535-L617 HydrophobicContact CD1-CD1 3.93Å; I572-L617 HydrophobicContact CB-CD1 4.46Å; I572-L617 HydrophobicContact CD1-CD1 4.33Å; I572-L617 HydrophobicContact CG1-CD1 4Å; I572-L617 HydrophobicContact CG2-CD1 3.96Å; A576-L617 HydrophobicContact CB-CB 4.29Å; A576-L617 HydrophobicContact CB-CD1 4.24Å; Q577-L617 CarbonylContact O-C 2.92Å; Q577-L617 VanDerWaalsContact O-CA 3.3Å; Q577-L617 WeakPolarHBondContact O-CA 3.33Å; I578-L617 HydrophobicContact CB-CD2 4.18Å; I578-L617 HydrophobicContact CG1-CD2 3.83Å; I578-L617 HydrophobicContact CG2-CD2 4.17Å; L615-L617 HydrophobicContact CB-CD2 4.22Å; L615-L617 HydrophobicContact CB-CG 4.3Å
618R91.9Very high89.6Confident47 Ų4746.3 Ų46.318%0.17724%0.24CC..EExtended strand (participates in β ladder)trans-115.8109.3175.8-163.2-171.4-62.8136.1-11.2109.9V532 Q577 V579 E595 R620V532-R618 HydrophobicContact CG2-CB 4.35Å; V532-R618 HydrophobicContact CG2-CG 4.28Å; Q577-R618 HydrophobicContact CB-CB 4.36Å; Q577-R618 WeakPolarHBondContact CB-O 3.46Å; Q577-R618 PolarHBondContact N-O 3.24Å; Q577-R618 PolarHBondContact O-N 3.38Å; V579-R618 HydrophobicContact CG2-CB 3.82Å; E595-R618 VanDerWaalsContact CD-NH2 3.26Å; E595-R618 IonicContact OE1-CZ 2.71Å; E595-R618 IonicContact OE1-NH1 2.8Å; E595-R618 PolarHBondContact OE1-NH1 2.95Å; E595-R618 IonicContact OE1-NH2 3.48Å; E595-R618 PolarHBondContact OE1-NH2 2.91Å; E595-R618 IonicContact OE2-CZ 3.55Å; E595-R618 IonicContact OE2-NH1 3.37Å; E595-R618 IonicContact OE2-NH2 3.67Å; E595-R618 PolarHBondContact OE2-NH2 3.28Å; R618-R620 HydrophobicContact CG-CG 4.38Å; R618-R620 PolarHBondContact O-N 2.83Å; R618-R620 VanDerWaalsContact O-N 3.16Å
619P89.1Confident89.7Confident45 Ų4548.8 Ų48.829%0.29225%0.252SS..EExtended strand (participates in β ladder)trans-62.9115.5178-23.534.7000111.4L533L533-P619 HydrophobicContact CD1-CG 3.82Å; L533-P619 HydrophobicContact CG-CG 4.4Å
620R88.3Confident89.7Confident91 Ų9152.9 Ų52.934%0.34327%0.271SS..  trans-137.959-175.5-80.4-164.775.7170.12.8110.7F557 G575 Q577 R618 N622 D623 Y624F557-R620 HydrophobicContact CE1-CB 3.86Å; G575-R620 CarbonylContact O-C 3.6Å; G575-R620 PolarHBondContact O-N 3.42Å; G575-R620 VanDerWaalsContact O-N 3.09Å; Q577-R620 VanDerWaalsContact OE1-CD 3.29Å; R618-R620 HydrophobicContact CG-CG 4.38Å; R618-R620 PolarHBondContact O-N 2.83Å; R618-R620 VanDerWaalsContact O-N 3.16Å; R620-N622 PolarHBondContact O-N 3.03Å; R620-D623 HydrophobicContact CB-CB 4.4Å; R620-D623 WeakPolarHBondContact CB-OD2 3.37Å; R620-D623 IonicContact CZ-OD1 3.59Å; R620-D623 IonicContact CZ-OD2 3.8Å; R620-D623 VanDerWaalsContact NE-CG 3.29Å; R620-D623 IonicContact NE-OD1 3.62Å; R620-D623 IonicContact NE-OD2 3.9Å; R620-D623 PolarHBondContact NE-OD2 3.48Å; R620-D623 IonicContact NH2-OD1 2.69Å; R620-D623 PolarHBondContact NH2-OD1 3.18Å; R620-D623 IonicContact NH2-OD2 2.83Å; R620-D623 PolarHBondContact NH2-OD2 3.13Å; R620-D623 PolarHBondContact O-N 2.93Å; R620-Y624 PolarHBondContact O-N 3.26Å; R620-Y624 VanDerWaalsContact O-N 3.1Å
621Q89.6Confident89.7Confident60 Ų6052.2 Ų52.228%0.2827%0.265SS..Hα-helixtrans-56.9-44.7-172.3-171.465.727.500113.1D623 Y624 E625Q621-D623 VanDerWaalsContact C-N 3.34Å; Q621-D623 PolarHBondContact O-N 3.31Å; Q621-Y624 PolarHBondContact O-N 2.91Å; Q621-E625 HydrophobicContact CG-CG 4.47Å; Q621-E625 VanDerWaalsContact CG-OE1 3.3Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.48Å; Q621-E625 PolarHBondContact NE2-OE1 2.96Å; Q621-E625 WeakPolarHBondContact O-CB 3.47Å; Q621-E625 WeakPolarHBondContact O-CG 3.35Å; Q621-E625 PolarHBondContact O-N 3.49Å
622N89.3Confident89.6Confident123 Ų12358 Ų5866%0.65829%0.286SS*.Hα-helixtrans-63.2-41.6-176.9-58.816.2000111.7R620 E625 A626R620-N622 PolarHBondContact O-N 3.03Å; N622-E625 PolarHBondContact O-N 2.92Å; N622-A626 WeakPolarHBondContact O-CB 3.39Å; N622-A626 PolarHBondContact O-N 3.28Å
623D89.1Confident89.3Confident66 Ų6658.4 Ų58.435%0.35329%0.292SS..Hα-helixtrans-69.9-39.2-180-48-89.6000111.2F557 R620 Q621 A626 L627F557-D623 HydrophobicContact CE1-CB 4.44Å; F557-D623 HydrophobicContact CZ-CB 4.01Å; R620-D623 HydrophobicContact CB-CB 4.4Å; R620-D623 WeakPolarHBondContact CB-OD2 3.37Å; R620-D623 IonicContact CZ-OD1 3.59Å; R620-D623 IonicContact CZ-OD2 3.8Å; R620-D623 VanDerWaalsContact NE-CG 3.29Å; R620-D623 IonicContact NE-OD1 3.62Å; R620-D623 IonicContact NE-OD2 3.9Å; R620-D623 PolarHBondContact NE-OD2 3.48Å; R620-D623 IonicContact NH2-OD1 2.69Å; R620-D623 PolarHBondContact NH2-OD1 3.18Å; R620-D623 IonicContact NH2-OD2 2.83Å; R620-D623 PolarHBondContact NH2-OD2 3.13Å; R620-D623 PolarHBondContact O-N 2.93Å; Q621-D623 VanDerWaalsContact C-N 3.34Å; Q621-D623 PolarHBondContact O-N 3.31Å; D623-A626 PolarHBondContact O-N 3.08Å; D623-L627 WeakPolarHBondContact O-CB 3.35Å; D623-L627 PolarHBondContact O-N 2.91Å
624Y91.9Very high88.2Confident13 Ų1363.7 Ų63.75%0.05133%0.329CS..Hα-helixtrans-63.4-43172.9173.5-109.8000112.5V549 F557 H559 P574 R620 Q621 L627 L628V549-Y624 HydrophobicContact CG2-CD2 4.43Å; V549-Y624 HydrophobicContact CG2-CE2 3.88Å; F557-Y624 HydrophobicContact CB-CD2 3.69Å; F557-Y624 HydrophobicContact CB-CE2 4.19Å; F557-Y624 HydrophobicContact CD1-CD2 4.14Å; F557-Y624 HydrophobicContact CD1-CG 4.37Å; F557-Y624 AromaticContact CG-CD2 3.92Å; F557-Y624 HydrophobicContact CG-CD2 3.92Å; H559-Y624 PolarHBondContact ND1-OH 3.05Å; H559-Y624 PolarHBondContact O-OH 3.3Å; P574-Y624 HydrophobicContact CB-CE1 4.42Å; R620-Y624 PolarHBondContact O-N 3.26Å; R620-Y624 VanDerWaalsContact O-N 3.1Å; Q621-Y624 PolarHBondContact O-N 2.91Å; Y624-L627 PolarHBondContact O-N 2.93Å; Y624-L628 HydrophobicContact CD1-CD1 4.18Å; Y624-L628 HydrophobicContact CE1-CD1 3.59Å; Y624-L628 HydrophobicContact CE1-CG 4.34Å; Y624-L628 HydrophobicContact CE2-CD1 4.25Å; Y624-L628 HydrophobicContact CE2-CD2 4.35Å; Y624-L628 HydrophobicContact CE2-CG 4.2Å; Y624-L628 WeakPolarHBondContact O-CG 3.46Å; Y624-L628 PolarHBondContact O-N 3.3Å
625E92.1Very high87.2Confident89 Ų8965.2 Ų65.242%0.41634%0.343SS..Hα-helixtrans-66.2-38.4176.5-75.2173.1-170.200111.9Q621 N622 L628 Q629Q621-E625 HydrophobicContact CG-CG 4.47Å; Q621-E625 VanDerWaalsContact CG-OE1 3.3Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.48Å; Q621-E625 PolarHBondContact NE2-OE1 2.96Å; Q621-E625 WeakPolarHBondContact O-CB 3.47Å; Q621-E625 WeakPolarHBondContact O-CG 3.35Å; Q621-E625 PolarHBondContact O-N 3.49Å; N622-E625 PolarHBondContact O-N 2.92Å; E625-L628 PolarHBondContact O-N 3.33Å; E625-Q629 WeakPolarHBondContact O-CG 3.32Å; E625-Q629 PolarHBondContact O-N 3.22Å; E625-Q629 VanDerWaalsContact O-N 3.08Å
626A90.6Very high86.2Confident45 Ų4567.1 Ų67.137%0.37235%0.353SS..Hα-helixtrans-64.6-43.1172.800000112.4N622 D623 Q629 Q630N622-A626 WeakPolarHBondContact O-CB 3.39Å; N622-A626 PolarHBondContact O-N 3.28Å; D623-A626 PolarHBondContact O-N 3.08Å; A626-Q629 PolarHBondContact O-N 3.09Å; A626-Q630 WeakPolarHBondContact O-CG 3.42Å; A626-Q630 PolarHBondContact O-N 3.32Å
627L90.3Very high85.3Confident4 Ų469.2 Ų69.22%0.02137%0.368CS..Hα-helixtrans-59.8-45.9174.1173.265.1000111.5V549 F557 D623 Y624 Q629 Q630 L631V549-L627 HydrophobicContact CG2-CD2 4.29Å; F557-L627 HydrophobicContact CD2-CD2 3.75Å; F557-L627 HydrophobicContact CE2-CD2 4Å; D623-L627 WeakPolarHBondContact O-CB 3.35Å; D623-L627 PolarHBondContact O-N 2.91Å; Y624-L627 PolarHBondContact O-N 2.93Å; L627-Q629 VanDerWaalsContact C-N 3.32Å; L627-Q629 PolarHBondContact O-N 3.3Å; L627-Q630 PolarHBondContact O-N 2.99Å; L627-L631 HydrophobicContact CD1-CD1 4.04Å; L627-L631 HydrophobicContact CD1-CG 4.19Å; L627-L631 HydrophobicContact CG-CD1 3.94Å; L627-L631 VanDerWaalsContact O-CG 3.31Å; L627-L631 WeakPolarHBondContact O-CG 3.44Å; L627-L631 PolarHBondContact O-N 2.6Å
628L89.9Confident84.9Confident40 Ų4069.3 Ų69.321%0.20937%0.368CS..Hα-helixtrans-60.1-40.5176.6-74.3-178.6000112.2Y624 E625 L631 Q632Y624-L628 HydrophobicContact CD1-CD1 4.18Å; Y624-L628 HydrophobicContact CE1-CD1 3.59Å; Y624-L628 HydrophobicContact CE1-CG 4.34Å; Y624-L628 HydrophobicContact CE2-CD1 4.25Å; Y624-L628 HydrophobicContact CE2-CD2 4.35Å; Y624-L628 HydrophobicContact CE2-CG 4.2Å; Y624-L628 WeakPolarHBondContact O-CG 3.46Å; Y624-L628 PolarHBondContact O-N 3.3Å; E625-L628 PolarHBondContact O-N 3.33Å; L628-L631 PolarHBondContact O-N 2.93Å; L628-Q632 WeakPolarHBondContact O-CB 3.42Å; L628-Q632 VanDerWaalsContact O-CG 3.23Å; L628-Q632 WeakPolarHBondContact O-CG 3.36Å; L628-Q632 PolarHBondContact O-N 3.05Å
629Q88.8Confident84.6Confident115 Ų11567 Ų6754%0.53736%0.36SS..Hα-helixtrans-64.5-40.2175.4-70.317223.900112.1E625 A626 L627 Q632 N633E625-Q629 WeakPolarHBondContact O-CG 3.32Å; E625-Q629 PolarHBondContact O-N 3.22Å; E625-Q629 VanDerWaalsContact O-N 3.08Å; A626-Q629 PolarHBondContact O-N 3.09Å; L627-Q629 VanDerWaalsContact C-N 3.32Å; L627-Q629 PolarHBondContact O-N 3.3Å; Q629-Q632 PolarHBondContact O-N 2.94Å; Q629-N633 VanDerWaalsContact O-CB 3.28Å; Q629-N633 WeakPolarHBondContact O-CB 3.32Å; Q629-N633 PolarHBondContact O-N 2.9Å; Q629-N633 PolarHBondContact O-ND2 3.47Å
630Q86.4Confident84.8Confident86 Ų8665 Ų6540%0.40235%0.347SS..Hα-helixtrans-66.6-37.6177.5-72.8174.7-18.500113A626 L627 T635 M636A626-Q630 WeakPolarHBondContact O-CG 3.42Å; A626-Q630 PolarHBondContact O-N 3.32Å; L627-Q630 PolarHBondContact O-N 2.99Å; Q630-T635 PolarHBondContact O-N 3.33Å; Q630-M636 PolarHBondContact O-N 2.93Å
631L86.1Confident84.9Confident52 Ų5261.8 Ų61.827%0.27234%0.338SS..Hα-helixtrans-69.1-42.2174-67.9168000111.7L627 L628 S634L627-L631 HydrophobicContact CD1-CD1 4.04Å; L627-L631 HydrophobicContact CD1-CG 4.19Å; L627-L631 HydrophobicContact CG-CD1 3.94Å; L627-L631 VanDerWaalsContact O-CG 3.31Å; L627-L631 WeakPolarHBondContact O-CG 3.44Å; L627-L631 PolarHBondContact O-N 2.6Å; L628-L631 PolarHBondContact O-N 2.93Å; L631-S634 PolarHBondContact O-N 2.94Å
632Q84.1Confident85.1Confident145 Ų14559.6 Ų59.668%0.67833%0.328SS*.Hα-helixtrans-67.4-37.2177.6-75.7173.2-0.100112.8L628 Q629 S634L628-Q632 WeakPolarHBondContact O-CB 3.42Å; L628-Q632 VanDerWaalsContact O-CG 3.23Å; L628-Q632 WeakPolarHBondContact O-CG 3.36Å; L628-Q632 PolarHBondContact O-N 3.05Å; Q629-Q632 PolarHBondContact O-N 2.94Å; Q632-S634 PolarHBondContact O-N 3.07Å
633N80.3Confident85.3Confident113 Ų11355.9 Ų55.960%0.60431%0.305SS*.THydrogen-bonded Turntrans-8111.2177.9-66.8-22000113.2Q629 T635Q629-N633 VanDerWaalsContact O-CB 3.28Å; Q629-N633 WeakPolarHBondContact O-CB 3.32Å; Q629-N633 PolarHBondContact O-N 2.9Å; Q629-N633 PolarHBondContact O-ND2 3.47Å; N633-T635 PolarHBondContact O-N 3.48Å; N633-T635 PolarHBondContact O-OG1 3.35Å; N633-T635 VanDerWaalsContact O-OG1 3.09Å
634S69.1Low85.5Confident111 Ų11152.7 Ų52.778%0.77629%0.288SS*.THydrogen-bonded Turntrans50.522.9-176.9-58.80000114.5L631 Q632L631-S634 PolarHBondContact O-N 2.94Å; Q632-S634 PolarHBondContact O-N 3.07Å
635T67.3Low85.6Confident103 Ų10355.6 Ų55.663%0.63230%0.299SS*.SBendtrans-85.4-25.6-175-53.20000111.2Q630 N633Q630-T635 PolarHBondContact O-N 3.33Å; N633-T635 PolarHBondContact O-N 3.48Å; N633-T635 PolarHBondContact O-OG1 3.35Å; N633-T635 VanDerWaalsContact O-OG1 3.09Å
636M72.7Confident85.7Confident42 Ų4251.4 Ų51.421%0.20728%0.279CS..  trans-134.8143.1168.4-70-176.549.600109.3K553 Q630 S638K553-M636 HydrophobicContact CD-CE 4.4Å; Q630-M636 PolarHBondContact O-N 2.93Å; M636-S638 WeakPolarHBondContact CE-O 3.28Å
637S73.1Confident85.8Confident60 Ų6049.2 Ų49.242%0.4226%0.261SS..SBendtrans-92.7-14.4-177.453.40000113.9T669 N670S637-T669 PolarHBondContact OG-O 3.41Å; S637-T669 PolarHBondContact OG-OG1 3.1Å; S637-N670 PolarHBondContact O-ND2 3.27Å
638S83.4Confident85.9Confident5 Ų549.1 Ų49.14%0.03526%0.26CS..SBendtrans-159.5-179.5172.5-169.90000108.6G550 M636 D640 T669 N670G550-S638 PolarHBondContact O-OG 3.35Å; G550-S638 VanDerWaalsContact O-OG 3.09Å; M636-S638 WeakPolarHBondContact CE-O 3.28Å; S638-D640 VanDerWaalsContact C-N 3.28Å; S638-D640 PolarHBondContact OG-N 2.9Å; S638-D640 PolarHBondContact OG-OD2 2.86Å; S638-T669 VanDerWaalsContact CB-O 3.24Å; S638-T669 WeakPolarHBondContact CB-O 3.49Å; S638-N670 VanDerWaalsContact CB-CG 3.46Å
639G85.9Confident85.9Confident0 Ų049.1 Ų49.10%026%0.264CS..SBendtrans-87.97.1162.600000113.9G550 G551 N552 K553 S554G550-G639 VanDerWaalsContact C-CA 3.4Å; G550-G639 WeakPolarHBondContact O-CA 3.4Å; G550-G639 PolarHBondContact O-N 2.9Å; G551-G639 CarbonylContact C-O 3.58Å; G551-G639 VanDerWaalsContact C-O 3.23Å; N552-G639 PolarHBondContact N-O 3.36Å; K553-G639 WeakPolarHBondContact CB-O 3.48Å; K553-G639 PolarHBondContact N-O 2.83Å; S554-G639 PolarHBondContact N-O 2.91Å; S554-G639 WeakPolarHBondContact OG-CA 3.49Å
640D91.9Very high85.9Confident3 Ų344.8 Ų44.82%0.01624%0.244CC..  trans-77.8145.9172.6-60.7-51000111.8G551 N552 T598 L599 S638 T671G551-D640 VanDerWaalsContact CA-OD1 3.28Å; G551-D640 WeakPolarHBondContact CA-OD1 3.2Å; N552-D640 PolarHBondContact N-OD1 3.3Å; N552-D640 WeakPolarHBondContact OD1-CA 3.39Å; T598-D640 VanDerWaalsContact CA-OD1 3.26Å; T598-D640 WeakPolarHBondContact CA-OD1 3.39Å; T598-D640 WeakPolarHBondContact CB-OD1 3.44Å; L599-D640 WeakPolarHBondContact CB-OD2 3.16Å; L599-D640 PolarHBondContact N-OD1 2.98Å; S638-D640 VanDerWaalsContact C-N 3.28Å; S638-D640 PolarHBondContact OG-N 2.9Å; S638-D640 PolarHBondContact OG-OD2 2.86Å; D640-T671 HydrophobicContact CB-CG2 4.39Å; D640-T671 PolarHBondContact OD1-OG1 2.69Å; D640-T671 PolarHBondContact OD2-N 2.66Å; D640-T671 PolarHBondContact OD2-OG1 3.4Å
641S91.9Very high85.8Confident23 Ų2345.8 Ų45.816%0.16126%0.258CS..  trans-167.7111.6169-1790000109.6N552 H667 V668N552-S641 PolarHBondContact ND2-O 3.2Å; N552-S641 PolarHBondContact OD1-N 2.81Å; N552-S641 PolarHBondContact OD1-O 2.88Å; S641-H667 PolarHBondContact OG-NE2 2.91Å; S641-V668 VanDerWaalsContact CA-O 3.28Å; S641-V668 WeakPolarHBondContact CA-O 3.12Å
642F92.6Very high85.6Confident14 Ų1446.9 Ų46.96%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-156.1161171.759.3-84.3000110.8N552 T598 I644 V668 T671 W680 L750 L781N552-F642 WeakPolarHBondContact OD1-CD1 3.37Å; T598-F642 HydrophobicContact CG2-CD1 4.24Å; T598-F642 HydrophobicContact CG2-CE1 3.64Å; T598-F642 HydrophobicContact CG2-CZ 4.26Å; F642-I644 HydrophobicContact CD2-CG2 3.76Å; F642-I644 HydrophobicContact CE2-CG2 3.65Å; F642-V668 HydrophobicContact CD1-CB 4.1Å; F642-V668 HydrophobicContact CD2-CB 4.16Å; F642-V668 HydrophobicContact CD2-CG2 3.97Å; F642-V668 HydrophobicContact CE1-CB 3.78Å; F642-V668 HydrophobicContact CE1-CG1 3.77Å; F642-V668 HydrophobicContact CE1-CG2 4.38Å; F642-V668 HydrophobicContact CE2-CB 3.84Å; F642-V668 HydrophobicContact CE2-CG1 4.29Å; F642-V668 HydrophobicContact CE2-CG2 3.51Å; F642-V668 HydrophobicContact CG-CB 4.29Å; F642-V668 HydrophobicContact CZ-CB 3.65Å; F642-V668 HydrophobicContact CZ-CG1 3.64Å; F642-V668 HydrophobicContact CZ-CG2 3.76Å; F642-V668 PolarHBondContact N-O 2.81Å; F642-V668 PolarHBondContact O-N 2.89Å; F642-T671 HydrophobicContact CE1-CG2 3.61Å; F642-T671 HydrophobicContact CZ-CG2 3.87Å; F642-W680 HydrophobicContact CE2-CH2 4.42Å; F642-W680 HydrophobicContact CE2-CZ3 4.16Å; F642-W680 HydrophobicContact CZ-CH2 4.2Å; F642-W680 HydrophobicContact CZ-CZ3 4.14Å; F642-L750 HydrophobicContact CD2-CD2 4.2Å; F642-L750 HydrophobicContact CE2-CD2 3.56Å; F642-L750 HydrophobicContact CZ-CD2 4.41Å; F642-L781 HydrophobicContact CB-CD1 4.24Å; F642-L781 HydrophobicContact CD2-CD1 3.86Å; F642-L781 HydrophobicContact CG-CD1 4.43Å
643Y93.2Very high85.1Confident44 Ų4441.9 Ų41.917%0.17326%0.262CS..EExtended strand (participates in β ladder)trans-107.8137.7-178.9-60.4-83.7000111.6L666 H667 V685 L690 V782 P784Y643-L666 CarbonylContact C-O 3.59Å; Y643-L666 WeakPolarHBondContact CA-O 3.3Å; Y643-H667 HydrophobicContact CD1-CB 3.78Å; Y643-H667 HydrophobicContact CE1-CB 3.56Å; Y643-H667 AromaticContact CE1-CD2 3.87Å; Y643-H667 AromaticContact CE1-CG 3.62Å; Y643-V685 HydrophobicContact CD1-CG2 3.79Å; Y643-V685 HydrophobicContact CE1-CG2 3.81Å; Y643-L690 HydrophobicContact CE1-CD1 4.1Å; Y643-L690 HydrophobicContact CE2-CD1 4.44Å; Y643-V782 WeakPolarHBondContact CB-O 3.35Å; Y643-V782 PolarHBondContact O-N 3.28Å; Y643-P784 HydrophobicContact CE2-CG 4.41Å
644I94.1Very high84.1Confident0 Ų040.6 Ų40.60%027%0.267CS..EExtended strand (participates in β ladder)trans-125144.1176.960.3177.1000111.2F642 I665 L666 V668 W680 L750 Y779 T780F642-I644 HydrophobicContact CD2-CG2 3.76Å; F642-I644 HydrophobicContact CE2-CG2 3.65Å; I644-I665 WeakPolarHBondContact O-CA 3.47Å; I644-L666 HydrophobicContact CD1-CB 4.41Å; I644-L666 HydrophobicContact CD1-CD1 4.28Å; I644-L666 HydrophobicContact CG1-CB 3.88Å; I644-L666 HydrophobicContact CG1-CD1 4.45Å; I644-L666 PolarHBondContact N-O 3.44Å; I644-L666 PolarHBondContact O-N 3.34Å; I644-V668 HydrophobicContact CD1-CG2 3.68Å; I644-V668 HydrophobicContact CG1-CG2 3.89Å; I644-V668 HydrophobicContact CG2-CG2 4.15Å; I644-W680 HydrophobicContact CD1-CE3 4.29Å; I644-W680 HydrophobicContact CD1-CZ3 4.17Å; I644-L750 HydrophobicContact CG2-CD2 3.71Å; I644-Y779 HydrophobicContact CD1-CD1 3.97Å; I644-Y779 HydrophobicContact CD1-CD2 4.13Å; I644-Y779 HydrophobicContact CD1-CE1 4.34Å; I644-Y779 HydrophobicContact CD1-CE2 4.47Å; I644-Y779 HydrophobicContact CD1-CG 3.87Å; I644-T780 WeakPolarHBondContact CA-O 3.38Å
645R93.3Very high83.8Confident74 Ų7440.8 Ų40.828%0.27927%0.268SS..EExtended strand (participates in β ladder)trans-92.9132.5160.8179.7174.3-68.8117.60.1109.4D664 I665 Y779 T780 V782R645-D664 WeakPolarHBondContact CA-O 3.26Å; R645-I665 HydrophobicContact CB-CD1 3.75Å; R645-I665 HydrophobicContact CG-CD1 3.96Å; R645-Y779 CarbonylContact O-C 3.51Å; R645-Y779 WeakPolarHBondContact O-CA 3.49Å; R645-T780 PolarHBondContact N-O 2.84Å; R645-T780 PolarHBondContact O-N 3.19Å; R645-V782 HydrophobicContact CB-CG1 3.91Å
646V93.8Very high84Confident0 Ų038.6 Ų38.60%027%0.266CS..EExtended strand (participates in β ladder)trans-79.3132.7175.8-179.70000110.7L648 V660 N663 D664 L666 Y779V646-L648 HydrophobicContact CG1-CD2 4.28Å; V646-L648 WeakPolarHBondContact CG1-O 3.32Å; V646-V660 HydrophobicContact CG1-CG2 4.09Å; V646-V660 HydrophobicContact CG2-CB 4.38Å; V646-V660 HydrophobicContact CG2-CG2 4.25Å; V646-N663 WeakPolarHBondContact O-CA 3.38Å; V646-N663 PolarHBondContact O-N 3.02Å; V646-D664 HydrophobicContact CG2-CB 4.42Å; V646-D664 PolarHBondContact N-O 2.81Å; V646-L666 HydrophobicContact CG2-CD1 3.45Å; V646-L666 VanDerWaalsContact CG2-CD1 3.45Å; V646-L666 HydrophobicContact CG2-CG 3.8Å; V646-Y779 HydrophobicContact CG2-CD1 4.48Å; V646-Y779 HydrophobicContact CG2-CE1 4.43Å
647N93Very high84.5Confident0 Ų038.4 Ų38.40%027%0.268CS..  trans-109.33.2178.3-63.6-35.1000114C662 V737 R738 M777 P778 T780N647-C662 PolarHBondContact O-SG 3.06Å; N647-V737 WeakPolarHBondContact O-CA 3.38Å; N647-R738 HydrophobicContact CB-CB 4.15Å; N647-R738 PolarHBondContact O-N 2.92Å; N647-R738 WeakPolarHBondContact OD1-CD 3.29Å; N647-M777 WeakPolarHBondContact CB-O 3.29Å; N647-M777 PolarHBondContact ND2-O 3.1Å; N647-P778 WeakPolarHBondContact CB-O 3.43Å; N647-P778 PolarHBondContact N-O 3.32Å; N647-T780 PolarHBondContact ND2-OG1 2.91Å
648L92.4Very high85.3Confident1 Ų136.6 Ų36.61%0.00525%0.253CS..BIsolated β-bridgetrans-140.1135.1175.572.4173.6000110.7V646 L650 L707 L708 P778 Y779V646-L648 HydrophobicContact CG1-CD2 4.28Å; V646-L648 WeakPolarHBondContact CG1-O 3.32Å; L648-L650 HydrophobicContact CD1-CD2 3.85Å; L648-L650 HydrophobicContact CG-CD2 3.95Å; L648-L650 HydrophobicContact CG-CG 4.15Å; L648-L650 PolarHBondContact O-N 2.76Å; L648-L707 HydrophobicContact CD1-CB 4Å; L648-L708 HydrophobicContact CB-CD1 4.26Å; L648-L708 HydrophobicContact CD1-CB 4.06Å; L648-P778 HydrophobicContact CD2-CB 3.87Å; L648-P778 WeakPolarHBondContact CD2-O 3.37Å; L648-Y779 HydrophobicContact CD2-CE1 4.31Å
649S91Very high85.6Confident41 Ų4138.7 Ų38.729%0.28727%0.271SS..  trans-70.9128172.5-64.10000111.2V660 C662 A736S649-V660 CarbonylContact C-O 3.57Å; S649-V660 WeakPolarHBondContact CA-O 3.3Å; S649-C662 PolarHBondContact OG-N 2.87Å; S649-C662 VanDerWaalsContact OG-N 3.11Å; S649-A736 PolarHBondContact N-O 2.93Å
650L88.6Confident85.8Confident24 Ų2438.9 Ų38.913%0.12627%0.272CS..BIsolated β-bridgetrans-116.5127.5176.6-61.1175.5000110.1L648 A659 V660 P699 L707L648-L650 HydrophobicContact CD1-CD2 3.85Å; L648-L650 HydrophobicContact CG-CD2 3.95Å; L648-L650 HydrophobicContact CG-CG 4.15Å; L648-L650 PolarHBondContact O-N 2.76Å; L650-A659 WeakPolarHBondContact O-CA 3.47Å; L650-V660 HydrophobicContact CB-CG2 3.83Å; L650-V660 HydrophobicContact CD1-CG2 3.99Å; L650-V660 HydrophobicContact CG-CG2 4.15Å; L650-V660 PolarHBondContact N-O 3.49Å; L650-V660 PolarHBondContact O-N 3.49Å; L650-P699 HydrophobicContact CD1-CG 4.15Å; L650-L707 HydrophobicContact CD2-CD1 4.28Å
651P84.6Confident85.7Confident107 Ų10741.9 Ų41.970%0.69529%0.294SS*.PPolyproline II helixtrans-73161.1177.132.1-35.7000111.8G653P651-G653 PolarHBondContact O-N 3.3Å
652A81.4Confident85.7Confident74 Ų7441.7 Ų41.761%0.61229%0.292SS*.PPolyproline II helixtrans-57.7126.5166.600000109.8A659A652-A659 HydrophobicContact CB-CB 4.03Å
653G73Confident85.5Confident41 Ų4144.6 Ų44.642%0.42331%0.308SS..PPolyproline II helixtrans-99.6172.3171.900000111.8P651P651-G653 PolarHBondContact O-N 3.3Å
654A60.8Low85.4Confident86 Ų8644.3 Ų44.371%0.71131%0.31SS*.SBendtrans-61.2169.516200000111.1G656 T657A654-G656 PolarHBondContact O-N 3.3Å; A654-T657 PolarHBondContact O-OG1 2.8Å
655S60.9Low85.4Confident114 Ų11446.7 Ų46.780%0.79732%0.322SS*.THydrogen-bonded Turntrans50.150.8174.562.80000115.6T657S655-T657 VanDerWaalsContact C-N 3.35Å; S655-T657 PolarHBondContact O-N 3.3Å
656G72.7Confident85.4Confident57 Ų5743.1 Ų43.159%0.58831%0.308SS*.THydrogen-bonded Turntrans76.913.3167.200000116.3A654 L658 T697A654-G656 PolarHBondContact O-N 3.3Å; G656-L658 PolarHBondContact O-N 3.24Å; G656-T697 PolarHBondContact O-N 3.04Å; G656-T697 PolarHBondContact O-OG1 2.87Å
657T83.8Confident85.5Confident38 Ų3843.9 Ų43.923%0.23331%0.312CS..BIsolated β-bridgetrans-69.1122.5176.9-49.70000110.4A654 S655 T697A654-T657 PolarHBondContact O-OG1 2.8Å; S655-T657 VanDerWaalsContact C-N 3.35Å; S655-T657 PolarHBondContact O-N 3.3Å; T657-T697 CarbonylContact C-O 3.51Å; T657-T697 WeakPolarHBondContact CA-O 3.2Å
658L88.4Confident85.5Confident22 Ų2243.9 Ų43.912%0.11531%0.312CS..PPolyproline II helixtrans-73.3128.1-178.2-172.666.7000111G656 V660 L666 V682 Q684 H694 T697 V698G656-L658 PolarHBondContact O-N 3.24Å; L658-V660 HydrophobicContact CB-CG1 4.34Å; L658-V660 HydrophobicContact CD2-CG1 3.75Å; L658-V660 HydrophobicContact CG-CG1 3.78Å; L658-V660 PolarHBondContact O-N 2.83Å; L658-L666 HydrophobicContact CD2-CD2 4.17Å; L658-V682 HydrophobicContact CD2-CG2 3.88Å; L658-Q684 HydrophobicContact CD2-CB 4.46Å; L658-H694 HydrophobicContact CD1-CB 4.28Å; L658-T697 PolarHBondContact N-O 3.42Å; L658-V698 HydrophobicContact CB-CG1 4.22Å
659A89.9Confident85.5Confident50 Ų5044.9 Ų44.941%0.41332%0.318SS..PPolyproline II helixtrans-71126.4167.200000109.8L650 A652L650-A659 WeakPolarHBondContact O-CA 3.47Å; A652-A659 HydrophobicContact CB-CB 4.03Å
660V90.6Very high85.5Confident3 Ų343.8 Ų43.82%0.01831%0.309CS..BIsolated β-bridgetrans-137137.7-178-62.70000111V646 S649 L650 L658 L666 V698V646-V660 HydrophobicContact CG1-CG2 4.09Å; V646-V660 HydrophobicContact CG2-CB 4.38Å; V646-V660 HydrophobicContact CG2-CG2 4.25Å; S649-V660 CarbonylContact C-O 3.57Å; S649-V660 WeakPolarHBondContact CA-O 3.3Å; L650-V660 HydrophobicContact CB-CG2 3.83Å; L650-V660 HydrophobicContact CD1-CG2 3.99Å; L650-V660 HydrophobicContact CG-CG2 4.15Å; L650-V660 PolarHBondContact N-O 3.49Å; L650-V660 PolarHBondContact O-N 3.49Å; L658-V660 HydrophobicContact CB-CG1 4.34Å; L658-V660 HydrophobicContact CD2-CG1 3.75Å; L658-V660 HydrophobicContact CG-CG1 3.78Å; L658-V660 PolarHBondContact O-N 2.83Å; V660-L666 HydrophobicContact CG1-CD1 4.05Å; V660-L666 HydrophobicContact CG1-CD2 3.77Å; V660-L666 HydrophobicContact CG1-CG 4.5Å; V660-V698 HydrophobicContact CG1-CG1 4.27Å; V660-V698 HydrophobicContact CG2-CG1 4.38Å
661S90.5Very high85.6Confident67 Ų6742.6 Ų42.647%0.46930%0.303SS..  trans-95154.9179.9-61.20000111.8N663 D664S661-N663 PolarHBondContact O-N 3.21Å; S661-D664 PolarHBondContact N-OD2 2.97Å; S661-D664 VanDerWaalsContact O-CB 3.26Å; S661-D664 WeakPolarHBondContact O-CB 3.26Å; S661-D664 PolarHBondContact O-N 3.09Å
662C90.3Very high85.8Confident18 Ų1842 Ų4212%0.12229%0.286CS..THydrogen-bonded Turntrans-59.9127.5172.4-173.20000111.5N647 S649 A736 R738N647-C662 PolarHBondContact O-SG 3.06Å; S649-C662 PolarHBondContact OG-N 2.87Å; S649-C662 VanDerWaalsContact OG-N 3.11Å; C662-A736 HydrophobicContact CB-CB 3.78Å; C662-A736 WeakPolarHBondContact CB-O 3.45Å; C662-R738 VanDerWaalsContact SG-CB 3.55Å
663N89.3Confident86Confident75 Ų7539.3 Ų39.340%0.40126%0.263SS..THydrogen-bonded Turntrans82.1-0.9-169.3-50.9-87.4000117.3V646 S661 R738V646-N663 WeakPolarHBondContact O-CA 3.38Å; V646-N663 PolarHBondContact O-N 3.02Å; S661-N663 PolarHBondContact O-N 3.21Å; N663-R738 VanDerWaalsContact OD1-CD 3.29Å; N663-R738 WeakPolarHBondContact OD1-CD 3.32Å; N663-R738 PolarHBondContact OD1-NH1 3.35Å
664D91.6Very high86.2Confident39 Ų3942.5 Ų42.521%0.20929%0.285CS..  trans-57.9148.2171.3-75.91.8000111.3R645 V646 S661R645-D664 WeakPolarHBondContact CA-O 3.26Å; V646-D664 HydrophobicContact CG2-CB 4.42Å; V646-D664 PolarHBondContact N-O 2.81Å; S661-D664 PolarHBondContact N-OD2 2.97Å; S661-D664 VanDerWaalsContact O-CB 3.26Å; S661-D664 WeakPolarHBondContact O-CB 3.26Å; S661-D664 PolarHBondContact O-N 3.09Å
665I93.3Very high86.8Confident49 Ų4942.4 Ų42.425%0.25129%0.292SS..EExtended strand (participates in β ladder)trans-105.6127.3175.7-50.6-55.9000109.1I644 R645 V685 V782I644-I665 WeakPolarHBondContact O-CA 3.47Å; R645-I665 HydrophobicContact CB-CD1 3.75Å; R645-I665 HydrophobicContact CG-CD1 3.96Å; I665-V685 HydrophobicContact CB-CB 4.37Å; I665-V685 HydrophobicContact CG2-CB 4.2Å; I665-V685 HydrophobicContact CG2-CG2 4.11Å; I665-V685 PolarHBondContact O-N 3.02Å; I665-V782 HydrophobicContact CD1-CG2 4.43Å; I665-V782 HydrophobicContact CG2-CG2 4.15Å
666L94.6Very high87.5Confident0 Ų039.7 Ų39.70%027%0.271CS..EExtended strand (participates in β ladder)trans-121140.7179.4-49.6175.3000110Y643 I644 V646 L658 V660 V682 S683 Q684 V698Y643-L666 CarbonylContact C-O 3.59Å; Y643-L666 WeakPolarHBondContact CA-O 3.3Å; I644-L666 HydrophobicContact CD1-CB 4.41Å; I644-L666 HydrophobicContact CD1-CD1 4.28Å; I644-L666 HydrophobicContact CG1-CB 3.88Å; I644-L666 HydrophobicContact CG1-CD1 4.45Å; I644-L666 PolarHBondContact N-O 3.44Å; I644-L666 PolarHBondContact O-N 3.34Å; V646-L666 HydrophobicContact CG2-CD1 3.45Å; V646-L666 VanDerWaalsContact CG2-CD1 3.45Å; V646-L666 HydrophobicContact CG2-CG 3.8Å; L658-L666 HydrophobicContact CD2-CD2 4.17Å; V660-L666 HydrophobicContact CG1-CD1 4.05Å; V660-L666 HydrophobicContact CG1-CD2 3.77Å; V660-L666 HydrophobicContact CG1-CG 4.5Å; L666-V682 HydrophobicContact CB-CB 4.29Å; L666-V682 HydrophobicContact CD1-CG2 4.27Å; L666-S683 CarbonylContact C-O 3.48Å; L666-S683 WeakPolarHBondContact CA-O 3.21Å; L666-Q684 HydrophobicContact CD2-CB 4.36Å; L666-Q684 HydrophobicContact CD2-CG 4.47Å; L666-V698 HydrophobicContact CD1-CG1 4.23Å; L666-V698 HydrophobicContact CD1-CG2 4.46Å
667H93.9Very high87.7Confident16 Ų1643 Ų437%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-90118.4164.5-175.8-163.8000108.2S641 Y643 V682 S683 V685 D692S641-H667 PolarHBondContact OG-NE2 2.91Å; Y643-H667 HydrophobicContact CD1-CB 3.78Å; Y643-H667 HydrophobicContact CE1-CB 3.56Å; Y643-H667 AromaticContact CE1-CD2 3.87Å; Y643-H667 AromaticContact CE1-CG 3.62Å; H667-V682 CarbonylContact O-C 3.57Å; H667-V682 WeakPolarHBondContact O-CA 3.46Å; H667-S683 PolarHBondContact N-O 2.92Å; H667-S683 PolarHBondContact O-N 3.15Å; H667-V685 HydrophobicContact CB-CG2 3.97Å; H667-D692 VanDerWaalsContact CB-OD1 3.23Å; H667-D692 WeakPolarHBondContact CB-OD1 3.41Å; H667-D692 IonicContact CE1-OD2 2.83Å; H667-D692 IonicContact CG-OD1 3.33Å; H667-D692 IonicContact CG-OD2 3.45Å; H667-D692 VanDerWaalsContact ND1-CG 3.34Å; H667-D692 IonicContact ND1-OD1 2.65Å; H667-D692 PolarHBondContact ND1-OD1 3.29Å; H667-D692 VanDerWaalsContact ND1-OD1 3.16Å; H667-D692 IonicContact ND1-OD2 3.87Å; H667-D692 PolarHBondContact ND1-OD2 3.47Å
668V93.7Very high87.7Confident0 Ų045.2 Ų45.20%028%0.282CS..EExtended strand (participates in β ladder)trans-85.2120.6172.4-170.60000108.4S641 F642 I644 T671 W680 V682S641-V668 VanDerWaalsContact CA-O 3.28Å; S641-V668 WeakPolarHBondContact CA-O 3.12Å; F642-V668 HydrophobicContact CD1-CB 4.1Å; F642-V668 HydrophobicContact CD2-CB 4.16Å; F642-V668 HydrophobicContact CD2-CG2 3.97Å; F642-V668 HydrophobicContact CE1-CB 3.78Å; F642-V668 HydrophobicContact CE1-CG1 3.77Å; F642-V668 HydrophobicContact CE1-CG2 4.38Å; F642-V668 HydrophobicContact CE2-CB 3.84Å; F642-V668 HydrophobicContact CE2-CG1 4.29Å; F642-V668 HydrophobicContact CE2-CG2 3.51Å; F642-V668 HydrophobicContact CG-CB 4.29Å; F642-V668 HydrophobicContact CZ-CB 3.65Å; F642-V668 HydrophobicContact CZ-CG1 3.64Å; F642-V668 HydrophobicContact CZ-CG2 3.76Å; F642-V668 PolarHBondContact N-O 2.81Å; F642-V668 PolarHBondContact O-N 2.89Å; I644-V668 HydrophobicContact CD1-CG2 3.68Å; I644-V668 HydrophobicContact CG1-CG2 3.89Å; I644-V668 HydrophobicContact CG2-CG2 4.15Å; V668-T671 HydrophobicContact CG1-CG2 3.95Å; V668-W680 HydrophobicContact CG1-CB 4.17Å; V668-W680 HydrophobicContact CG1-CD2 4.26Å; V668-W680 HydrophobicContact CG1-CE3 4.14Å; V668-W680 HydrophobicContact CG1-CG 4.33Å; V668-W680 HydrophobicContact CG2-CE3 4.05Å; V668-W680 HydrophobicContact CG2-CZ3 4.39Å; V668-V682 HydrophobicContact CB-CG1 4.37Å; V668-V682 HydrophobicContact CG1-CG1 4.38Å; V668-V682 HydrophobicContact CG2-CG1 4Å
669T91.7Very high87.9Confident22 Ų2245 Ų4514%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-114.8-17.5-174.355.50000113.7S637 S638 Q681S637-T669 PolarHBondContact OG-O 3.41Å; S637-T669 PolarHBondContact OG-OG1 3.1Å; S638-T669 VanDerWaalsContact CB-O 3.24Å; S638-T669 WeakPolarHBondContact CB-O 3.49Å; T669-Q681 PolarHBondContact N-O 3.5Å; T669-Q681 PolarHBondContact OG1-O 2.84Å
670N91.6Very high88Confident17 Ų1742.7 Ų42.79%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-151.8121.9167.7-174.2-16.9000110.1S637 S638 R672 W680 Q681S637-N670 PolarHBondContact O-ND2 3.27Å; S638-N670 VanDerWaalsContact CB-CG 3.46Å; N670-R672 WeakPolarHBondContact OD1-CA 3.41Å; N670-R672 PolarHBondContact OD1-N 2.95Å; N670-R672 PolarHBondContact OD1-O 3.17Å; N670-W680 WeakPolarHBondContact O-CA 3.33Å; N670-Q681 HydrophobicContact CB-CB 3.9Å; N670-Q681 PolarHBondContact N-O 3.46Å; N670-Q681 PolarHBondContact O-N 2.93Å
671T91.6Very high88.1Confident0 Ų045 Ų450%027%0.272CS..SBendtrans-85.5-12.3177.555.90000114.2T598 L599 E600 D640 F642 V668T598-T671 HydrophobicContact CG2-CG2 4.08Å; L599-T671 PolarHBondContact N-OG1 3.21Å; E600-T671 PolarHBondContact N-OG1 3Å; D640-T671 HydrophobicContact CB-CG2 4.39Å; D640-T671 PolarHBondContact OD1-OG1 2.69Å; D640-T671 PolarHBondContact OD2-N 2.66Å; D640-T671 PolarHBondContact OD2-OG1 3.4Å; F642-T671 HydrophobicContact CE1-CG2 3.61Å; F642-T671 HydrophobicContact CZ-CG2 3.87Å; V668-T671 HydrophobicContact CG1-CG2 3.95Å
672R88.1Confident88.3Confident93 Ų9341.8 Ų41.835%0.35125%0.249SC..SBendtrans-138.665.8179.2-167.2170171.5764111.6L599 N670 E677L599-R672 HydrophobicContact CD2-CB 4.29Å; L599-R672 HydrophobicContact CG-CB 4.32Å; N670-R672 WeakPolarHBondContact OD1-CA 3.41Å; N670-R672 PolarHBondContact OD1-N 2.95Å; N670-R672 PolarHBondContact OD1-O 3.17Å; R672-E677 IonicContact CZ-OE1 3.85Å; R672-E677 IonicContact NH1-OE1 2.93Å; R672-E677 PolarHBondContact NH1-OE1 2.72Å; R672-E677 IonicContact NH2-OE1 3.2Å; R672-E677 PolarHBondContact NH2-OE1 3.37Å
673P85.1Confident88.4Confident18 Ų1841.2 Ų41.212%0.11725%0.246CC..  trans-63.3148.3176.727.4-33.9000112.4G675 T676 L679P673-G675 PolarHBondContact O-N 3.09Å; P673-T676 PolarHBondContact O-N 2.98Å; P673-L679 WeakPolarHBondContact CD-O 3.25Å; P673-L679 VanDerWaalsContact CG-O 3.29Å; P673-L679 WeakPolarHBondContact CG-O 3.37Å
674A78.7Confident88.5Confident108 Ų10840 Ų4089%0.89324%0.238SC*.THydrogen-bonded Turntrans-64.7123.2-173.200000112.2
675G72.8Confident88.5Confident84 Ų8439 Ų3987%0.86623%0.232SC*.THydrogen-bonded Turntrans92.1-5.5175.900000116.2P673P673-G675 PolarHBondContact O-N 3.09Å
676T75.9Confident88.2Confident57 Ų5739.6 Ų39.635%0.3523%0.234SC..  trans-140.3100.9179.257.10000112P673 L679P673-T676 PolarHBondContact O-N 2.98Å; T676-L679 HydrophobicContact CG2-CD1 3.99Å
677E75.7Confident87.4Confident126 Ų12645.3 Ų45.359%0.58927%0.272SS*.THydrogen-bonded Turntrans-74.9-24.5-176.4-56.5-163.9102.400114.2R672R672-E677 IonicContact CZ-OE1 3.85Å; R672-E677 IonicContact NH1-OE1 2.93Å; R672-E677 PolarHBondContact NH1-OE1 2.72Å; R672-E677 IonicContact NH2-OE1 3.2Å; R672-E677 PolarHBondContact NH2-OE1 3.37Å
678D85.3Confident86.4Confident85 Ų8549 Ų4946%0.45530%0.298SS..THydrogen-bonded Turntrans-91.811.5-176.7-86.5-16.2000114.2N700D678-N700 PolarHBondContact O-N 3.36Å
679L91.2Very high85.6Confident17 Ų1753.3 Ų53.39%0.08932%0.318CS..EExtended strand (participates in β ladder)trans-130.7146.4-173.6-63.8-179.5000111.8P673 T676 T697 V698P673-L679 WeakPolarHBondContact CD-O 3.25Å; P673-L679 VanDerWaalsContact CG-O 3.29Å; P673-L679 WeakPolarHBondContact CG-O 3.37Å; T676-L679 HydrophobicContact CG2-CD1 3.99Å; L679-T697 HydrophobicContact CD1-CG2 4.36Å; L679-V698 CarbonylContact C-O 3.6Å; L679-V698 VanDerWaalsContact CA-O 3.3Å; L679-V698 WeakPolarHBondContact CA-O 3.45Å
680W93.4Very high85.1Confident3 Ų356.4 Ų56.41%0.01133%0.333CS..EExtended strand (participates in β ladder)trans-107.3140.9168.2-67.1-10.7000110.2E600 F642 I644 V668 N670 V682 T697 V698 N700 L750 Y779E600-W680 PolarHBondContact OE2-NE1 2.71Å; F642-W680 HydrophobicContact CE2-CH2 4.42Å; F642-W680 HydrophobicContact CE2-CZ3 4.16Å; F642-W680 HydrophobicContact CZ-CH2 4.2Å; F642-W680 HydrophobicContact CZ-CZ3 4.14Å; I644-W680 HydrophobicContact CD1-CE3 4.29Å; I644-W680 HydrophobicContact CD1-CZ3 4.17Å; V668-W680 HydrophobicContact CG1-CB 4.17Å; V668-W680 HydrophobicContact CG1-CD2 4.26Å; V668-W680 HydrophobicContact CG1-CE3 4.14Å; V668-W680 HydrophobicContact CG1-CG 4.33Å; V668-W680 HydrophobicContact CG2-CE3 4.05Å; V668-W680 HydrophobicContact CG2-CZ3 4.39Å; N670-W680 WeakPolarHBondContact O-CA 3.33Å; W680-V682 HydrophobicContact CB-CG1 4.32Å; W680-T697 CarbonylContact O-C 3.58Å; W680-T697 VanDerWaalsContact O-CA 3.3Å; W680-T697 WeakPolarHBondContact O-CA 3.44Å; W680-V698 HydrophobicContact CB-CG2 4.35Å; W680-V698 PolarHBondContact N-O 3.21Å; W680-V698 PolarHBondContact O-N 3.25Å; W680-N700 HydrophobicContact CD2-CB 4.39Å; W680-N700 HydrophobicContact CG-CB 4.34Å; W680-N700 HydrophobicContact CZ2-CB 4.44Å; W680-L750 HydrophobicContact CH2-CD2 4.07Å; W680-L750 HydrophobicContact CZ3-CD2 4.33Å; W680-Y779 HydrophobicContact CE3-CD2 4.42Å; W680-Y779 HydrophobicContact CE3-CE2 4.24Å; W680-Y779 HydrophobicContact CH2-CD2 4.39Å; W680-Y779 AromaticContact CZ3-CD2 3.78Å; W680-Y779 HydrophobicContact CZ3-CD2 3.78Å; W680-Y779 HydrophobicContact CZ3-CE2 4.04Å
681Q92.3Very high84.9Confident50 Ų5060.2 Ų60.223%0.23435%0.353CS..EExtended strand (participates in β ladder)trans-81.1127.6166.3-17363.736.400109.2T669 N670 G696T669-Q681 PolarHBondContact N-O 3.5Å; T669-Q681 PolarHBondContact OG1-O 2.84Å; N670-Q681 HydrophobicContact CB-CB 3.9Å; N670-Q681 PolarHBondContact N-O 3.46Å; N670-Q681 PolarHBondContact O-N 2.93Å; Q681-G696 PolarHBondContact NE2-O 3.02Å
682V93.8Very high84.7Confident0 Ų063.7 Ų63.70%037%0.372CS..EExtended strand (participates in β ladder)trans-136.3161.4-176.3-63.10000112.3L658 L666 H667 V668 W680 S695 G696 V698L658-V682 HydrophobicContact CD2-CG2 3.88Å; L666-V682 HydrophobicContact CB-CB 4.29Å; L666-V682 HydrophobicContact CD1-CG2 4.27Å; H667-V682 CarbonylContact O-C 3.57Å; H667-V682 WeakPolarHBondContact O-CA 3.46Å; V668-V682 HydrophobicContact CB-CG1 4.37Å; V668-V682 HydrophobicContact CG1-CG1 4.38Å; V668-V682 HydrophobicContact CG2-CG1 4Å; W680-V682 HydrophobicContact CB-CG1 4.32Å; V682-S695 CarbonylContact O-C 3.6Å; V682-S695 VanDerWaalsContact O-CA 3.25Å; V682-S695 WeakPolarHBondContact O-CA 3.33Å; V682-G696 WeakPolarHBondContact CG2-O 3.43Å; V682-G696 PolarHBondContact N-O 3.31Å; V682-G696 PolarHBondContact O-N 3.44Å; V682-G696 VanDerWaalsContact O-O 3.06Å; V682-V698 HydrophobicContact CB-CG2 4.33Å; V682-V698 HydrophobicContact CG1-CG2 3.55Å; V682-V698 HydrophobicContact CG2-CB 4.28Å; V682-V698 HydrophobicContact CG2-CG1 3.69Å; V682-V698 HydrophobicContact CG2-CG2 3.77Å
683S93Very high84.7Confident6 Ų662.9 Ų62.94%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-126.8135.7170.2-52.50000109.7L666 H667 H694 S695L666-S683 CarbonylContact C-O 3.48Å; L666-S683 WeakPolarHBondContact CA-O 3.21Å; H667-S683 PolarHBondContact N-O 2.92Å; H667-S683 PolarHBondContact O-N 3.15Å; S683-H694 WeakPolarHBondContact CA-O 3.14Å; S683-S695 PolarHBondContact OG-OG 3.32Å
684Q92.2Very high84.8Confident51 Ų5168.4 Ų68.424%0.23840%0.398CS..EExtended strand (participates in β ladder)trans-71.7128.9174.6-169.9-178.841.600109.6L658 L666 L693 H694L658-Q684 HydrophobicContact CD2-CB 4.46Å; L666-Q684 HydrophobicContact CD2-CB 4.36Å; L666-Q684 HydrophobicContact CD2-CG 4.47Å; Q684-L693 VanDerWaalsContact O-CB 3.32Å; Q684-L693 WeakPolarHBondContact O-CB 3.49Å; Q684-L693 PolarHBondContact O-N 2.88Å; Q684-H694 PolarHBondContact N-O 2.96Å
685V90.9Very high85.3Confident16 Ų1666.8 Ų66.810%0.09738%0.38CS..EExtended strand (participates in β ladder)trans-88.1136.6-178-173.90000110.6Y643 I665 H667 L690Y643-V685 HydrophobicContact CD1-CG2 3.79Å; Y643-V685 HydrophobicContact CE1-CG2 3.81Å; I665-V685 HydrophobicContact CB-CB 4.37Å; I665-V685 HydrophobicContact CG2-CB 4.2Å; I665-V685 HydrophobicContact CG2-CG2 4.11Å; I665-V685 PolarHBondContact O-N 3.02Å; H667-V685 HydrophobicContact CB-CG2 3.97Å; V685-L690 HydrophobicContact CG1-CD1 4.26Å
686H86.3Confident86.2Confident63 Ų6363.2 Ų63.229%0.29234%0.343SS..PPolyproline II helixtrans-65.1132.2177.7-177.6-100.2000112.1C688 Q689 L691 L693H686-C688 PolarHBondContact ND1-N 3.36Å; H686-C688 PolarHBondContact O-N 3.29Å; H686-Q689 HydrophobicContact CB-CB 4.46Å; H686-Q689 WeakPolarHBondContact CB-O 3.31Å; H686-Q689 PolarHBondContact ND1-N 3.15Å; H686-Q689 PolarHBondContact O-N 2.88Å; H686-L691 PolarHBondContact N-O 3.33Å; H686-L693 HydrophobicContact CB-CD1 3.91Å; H686-L693 HydrophobicContact CB-CD2 4.11Å; H686-L693 HydrophobicContact CB-CG 4Å
687P78.3Confident87Confident120 Ų12061.2 Ų61.278%0.77933%0.331SS*.THydrogen-bonded Turntrans-59.4-26.6-171.6-28.636.1000116.2
688C71.8Confident87.8Confident92 Ų9255.2 Ų55.262%0.62230%0.302SS*.THydrogen-bonded Turntrans-116-0.8-175.5-53.50000114.1H686H686-C688 PolarHBondContact ND1-N 3.36Å; H686-C688 PolarHBondContact O-N 3.29Å
689Q77.3Confident88.2Confident92 Ų9251.5 Ų51.543%0.4328%0.283SS..SBendtrans-145.9139.3-175.6-61.1-178.9-1.200108.8H686 L691H686-Q689 HydrophobicContact CB-CB 4.46Å; H686-Q689 WeakPolarHBondContact CB-O 3.31Å; H686-Q689 PolarHBondContact ND1-N 3.15Å; H686-Q689 PolarHBondContact O-N 2.88Å; Q689-L691 HydrophobicContact CB-CD1 4.27Å; Q689-L691 HydrophobicContact CB-CG 4.19Å; Q689-L691 PolarHBondContact O-N 2.88Å; Q689-L691 VanDerWaalsContact OE1-CD1 3.31Å
690L82.4Confident88.2Confident87 Ų8751 Ų5146%0.45528%0.281SS..SBendtrans-79.163.6179.2-163.569.8000110.7Y643 V685 P784Y643-L690 HydrophobicContact CE1-CD1 4.1Å; Y643-L690 HydrophobicContact CE2-CD1 4.44Å; V685-L690 HydrophobicContact CG1-CD1 4.26Å; L690-P784 HydrophobicContact CD1-CB 3.95Å; L690-P784 HydrophobicContact CD1-CG 4.33Å; L690-P784 HydrophobicContact CD2-CB 4.1Å; L690-P784 HydrophobicContact CD2-CG 4.01Å
691L86.7Confident88.1Confident96 Ų9651 Ų5150%0.50328%0.281SS..  trans-125.6140-179.3-65.4-179.8000109.9H686 Q689H686-L691 PolarHBondContact N-O 3.33Å; Q689-L691 HydrophobicContact CB-CD1 4.27Å; Q689-L691 HydrophobicContact CB-CG 4.19Å; Q689-L691 PolarHBondContact O-N 2.88Å; Q689-L691 VanDerWaalsContact OE1-CD1 3.31Å
692D87.7Confident87.9Confident73 Ų7352.7 Ų52.739%0.3929%0.285SS..EExtended strand (participates in β ladder)trans-80.8132.4173.8-69-30.7000110.3H667H667-D692 VanDerWaalsContact CB-OD1 3.23Å; H667-D692 WeakPolarHBondContact CB-OD1 3.41Å; H667-D692 IonicContact CE1-OD2 2.83Å; H667-D692 IonicContact CG-OD1 3.33Å; H667-D692 IonicContact CG-OD2 3.45Å; H667-D692 VanDerWaalsContact ND1-CG 3.34Å; H667-D692 IonicContact ND1-OD1 2.65Å; H667-D692 PolarHBondContact ND1-OD1 3.29Å; H667-D692 VanDerWaalsContact ND1-OD1 3.16Å; H667-D692 IonicContact ND1-OD2 3.87Å; H667-D692 PolarHBondContact ND1-OD2 3.47Å
693L88.1Confident87.7Confident77 Ų7757.5 Ų57.540%0.40330%0.304SS..EExtended strand (participates in β ladder)trans-103.9-123.6178.6-58.4175.6000109.8Q684 H686 S695Q684-L693 VanDerWaalsContact O-CB 3.32Å; Q684-L693 WeakPolarHBondContact O-CB 3.49Å; Q684-L693 PolarHBondContact O-N 2.88Å; H686-L693 HydrophobicContact CB-CD1 3.91Å; H686-L693 HydrophobicContact CB-CD2 4.11Å; H686-L693 HydrophobicContact CB-CG 4Å; L693-S695 PolarHBondContact O-N 3.47Å
694H87.1Confident87.6Confident134 Ų13457.2 Ų57.262%0.6230%0.302SS*.EExtended strand (participates in β ladder)trans-64.4128.7177.7-57.6103.2000110.7L658 S683 Q684L658-H694 HydrophobicContact CD1-CB 4.28Å; S683-H694 WeakPolarHBondContact CA-O 3.14Å; Q684-H694 PolarHBondContact N-O 2.96Å
695S89.9Confident87.5Confident74 Ų7456.7 Ų56.752%0.51730%0.299SS..EExtended strand (participates in β ladder)trans-105.1144.2176.6-60.20000110.7V682 S683 L693V682-S695 CarbonylContact O-C 3.6Å; V682-S695 VanDerWaalsContact O-CA 3.25Å; V682-S695 WeakPolarHBondContact O-CA 3.33Å; S683-S695 PolarHBondContact OG-OG 3.32Å; L693-S695 PolarHBondContact O-N 3.47Å
696G91Very high87.4Confident8 Ų864.7 Ų64.78%0.08233%0.328CS..EExtended strand (participates in β ladder)trans-173.6-171.3-179.300000111.3Q681 V682Q681-G696 PolarHBondContact NE2-O 3.02Å; V682-G696 WeakPolarHBondContact CG2-O 3.43Å; V682-G696 PolarHBondContact N-O 3.31Å; V682-G696 PolarHBondContact O-N 3.44Å; V682-G696 VanDerWaalsContact O-O 3.06Å
697T92.4Very high87.6Confident15 Ų1564.3 Ų64.39%0.09233%0.328CS..EExtended strand (participates in β ladder)trans-101.3148.1178.854.10000112.5G656 T657 L658 L679 W680G656-T697 PolarHBondContact O-N 3.04Å; G656-T697 PolarHBondContact O-OG1 2.87Å; T657-T697 CarbonylContact C-O 3.51Å; T657-T697 WeakPolarHBondContact CA-O 3.2Å; L658-T697 PolarHBondContact N-O 3.42Å; L679-T697 HydrophobicContact CD1-CG2 4.36Å; W680-T697 CarbonylContact O-C 3.58Å; W680-T697 VanDerWaalsContact O-CA 3.3Å; W680-T697 WeakPolarHBondContact O-CA 3.44Å
698V93.3Very high88.1Confident0 Ų058.7 Ų58.70%029%0.291CS..EExtended strand (participates in β ladder)trans-132160.9167.5-65.50000109.5L658 V660 L666 L679 W680 V682L658-V698 HydrophobicContact CB-CG1 4.22Å; V660-V698 HydrophobicContact CG1-CG1 4.27Å; V660-V698 HydrophobicContact CG2-CG1 4.38Å; L666-V698 HydrophobicContact CD1-CG1 4.23Å; L666-V698 HydrophobicContact CD1-CG2 4.46Å; L679-V698 CarbonylContact C-O 3.6Å; L679-V698 VanDerWaalsContact CA-O 3.3Å; L679-V698 WeakPolarHBondContact CA-O 3.45Å; W680-V698 HydrophobicContact CB-CG2 4.35Å; W680-V698 PolarHBondContact N-O 3.21Å; W680-V698 PolarHBondContact O-N 3.25Å; V682-V698 HydrophobicContact CB-CG2 4.33Å; V682-V698 HydrophobicContact CG1-CG2 3.55Å; V682-V698 HydrophobicContact CG2-CB 4.28Å; V682-V698 HydrophobicContact CG2-CG1 3.69Å; V682-V698 HydrophobicContact CG2-CG2 3.77Å
699P93Very high88.8Confident8 Ų857.5 Ų57.55%0.05228%0.278CS..EExtended strand (participates in β ladder)trans-59.6144.5175.3-21.733.6000112.4L650 R703 A704 L707 Y779L650-P699 HydrophobicContact CD1-CG 4.15Å; P699-R703 HydrophobicContact CB-CB 3.94Å; P699-R703 HydrophobicContact CB-CG 3.88Å; P699-A704 HydrophobicContact CB-CB 4.19Å; P699-L707 HydrophobicContact CB-CD1 4.39Å; P699-L707 HydrophobicContact CG-CD1 3.88Å; P699-Y779 VanDerWaalsContact O-CE2 3.27Å; P699-Y779 WeakPolarHBondContact O-CE2 3.48Å; P699-Y779 PolarHBondContact O-OH 3.27Å
700N91.6Very high89.3Confident7 Ų758.1 Ų58.14%0.03728%0.281CS..  trans-61.2167.7168.774.4-4.8000111.4E600 D678 W680 Y702 R703 A704E600-N700 PolarHBondContact OE1-ND2 3.15Å; D678-N700 PolarHBondContact O-N 3.36Å; W680-N700 HydrophobicContact CD2-CB 4.39Å; W680-N700 HydrophobicContact CG-CB 4.34Å; W680-N700 HydrophobicContact CZ2-CB 4.44Å; N700-Y702 VanDerWaalsContact C-N 3.3Å; N700-Y702 PolarHBondContact O-N 2.89Å; N700-R703 PolarHBondContact O-N 3.44Å; N700-R703 WeakPolarHBondContact OD1-CB 3.32Å; N700-R703 PolarHBondContact OD1-N 3.11Å; N700-A704 VanDerWaalsContact O-CB 3.29Å; N700-A704 WeakPolarHBondContact O-CB 3.26Å; N700-A704 PolarHBondContact O-N 3.44Å
701Y90.8Very high89.5Confident3 Ų355.2 Ų55.21%0.01227%0.267CS..Hα-helixtrans-52.8-45-175.7-176.8-92000113.1A704 Q705 L750 W751 P778 Y779Y701-A704 PolarHBondContact O-N 3.44Å; Y701-Q705 VanDerWaalsContact O-CB 3.31Å; Y701-Q705 WeakPolarHBondContact O-CB 3.28Å; Y701-Q705 PolarHBondContact O-N 3.32Å; Y701-L750 WeakPolarHBondContact CB-O 3.36Å; Y701-L750 WeakPolarHBondContact CD1-O 3.34Å; Y701-L750 HydrophobicContact CD2-CB 3.82Å; Y701-L750 HydrophobicContact CE2-CB 4.09Å; Y701-L750 HydrophobicContact CE2-CD1 4.47Å; Y701-L750 HydrophobicContact CG-CB 4.4Å; Y701-W751 HydrophobicContact CD1-CB 4.15Å; Y701-W751 HydrophobicContact CD1-CE3 4.46Å; Y701-W751 HydrophobicContact CD2-CE3 4.49Å; Y701-W751 HydrophobicContact CE1-CB 4.15Å; Y701-W751 HydrophobicContact CE1-CD2 4.34Å; Y701-W751 AromaticContact CE1-CE3 3.74Å; Y701-W751 HydrophobicContact CE1-CE3 3.74Å; Y701-W751 AromaticContact CE2-CE3 3.76Å; Y701-W751 HydrophobicContact CE2-CE3 3.76Å; Y701-W751 AromaticContact CE2-CZ3 3.99Å; Y701-W751 HydrophobicContact CE2-CZ3 3.99Å; Y701-W751 AromaticContact CZ-CE3 3.34Å; Y701-W751 AromaticContact CZ-CZ3 3.72Å; Y701-W751 WeakPolarHBondContact OH-CZ3 3.46Å; Y701-P778 HydrophobicContact CD2-CG 3.82Å; Y701-P778 HydrophobicContact CE2-CG 3.79Å; Y701-P778 HydrophobicContact CG-CG 4.33Å; Y701-Y779 HydrophobicContact CD2-CD2 4.24Å
702Y88Confident89.4Confident84 Ų8452.9 Ų52.933%0.32925%0.254SS..Hα-helixtrans-66.8-42.2-177.6-60.1-74.1000112.8N700 Q705 R706 W751 V752N700-Y702 VanDerWaalsContact C-N 3.3Å; N700-Y702 PolarHBondContact O-N 2.89Å; Y702-Q705 PolarHBondContact O-N 3Å; Y702-R706 WeakPolarHBondContact O-CG 3.43Å; Y702-R706 PolarHBondContact O-N 3.47Å; Y702-W751 HydrophobicContact CE1-CB 4.42Å; Y702-V752 PolarHBondContact OH-N 3.45Å; Y702-V752 VanDerWaalsContact OH-N 3.15Å
703R90.1Very high89.2Confident101 Ų10154.1 Ų54.138%0.38126%0.258SS..Hα-helixtrans-70.5-40176.1-175.5174.4168.3-169.41111.5P699 N700 Q705 R706 L707P699-R703 HydrophobicContact CB-CB 3.94Å; P699-R703 HydrophobicContact CB-CG 3.88Å; N700-R703 PolarHBondContact O-N 3.44Å; N700-R703 WeakPolarHBondContact OD1-CB 3.32Å; N700-R703 PolarHBondContact OD1-N 3.11Å; R703-Q705 VanDerWaalsContact C-N 3.29Å; R703-Q705 PolarHBondContact O-N 3.31Å; R703-R706 PolarHBondContact O-N 2.85Å; R703-L707 WeakPolarHBondContact O-CG 3.3Å; R703-L707 PolarHBondContact O-N 2.88Å; R703-L707 VanDerWaalsContact O-N 3.1Å
704A91.2Very high89Confident0 Ų053.1 Ų53.10%025%0.253CS..Hα-helixtrans-62.8-35.2173.900000112.1P699 N700 Y701 L707 L708 P778 Y779P699-A704 HydrophobicContact CB-CB 4.19Å; N700-A704 VanDerWaalsContact O-CB 3.29Å; N700-A704 WeakPolarHBondContact O-CB 3.26Å; N700-A704 PolarHBondContact O-N 3.44Å; Y701-A704 PolarHBondContact O-N 3.44Å; A704-L707 PolarHBondContact O-N 3.08Å; A704-L708 WeakPolarHBondContact O-CB 3.43Å; A704-L708 PolarHBondContact O-N 2.9Å; A704-P778 HydrophobicContact CB-CB 3.58Å; A704-P778 HydrophobicContact CB-CG 3.83Å; A704-Y779 HydrophobicContact CB-CD2 4.32Å; A704-Y779 HydrophobicContact CB-CE1 4.26Å; A704-Y779 HydrophobicContact CB-CE2 3.54Å; A704-Y779 WeakPolarHBondContact CB-OH 3.44Å
705Q89.7Confident88.6Confident41 Ų4149.6 Ų49.619%0.19224%0.237CC..Hα-helixtrans-68-40.1177.4-174.2176.364.800111.8Y701 Y702 R703 L708 I709 L776 P778Y701-Q705 VanDerWaalsContact O-CB 3.31Å; Y701-Q705 WeakPolarHBondContact O-CB 3.28Å; Y701-Q705 PolarHBondContact O-N 3.32Å; Y702-Q705 PolarHBondContact O-N 3Å; R703-Q705 VanDerWaalsContact C-N 3.29Å; R703-Q705 PolarHBondContact O-N 3.31Å; Q705-L708 WeakPolarHBondContact O-CB 3.3Å; Q705-L708 PolarHBondContact O-N 3.45Å; Q705-I709 HydrophobicContact CG-CD1 4.22Å; Q705-I709 WeakPolarHBondContact O-CG1 3.49Å; Q705-I709 PolarHBondContact O-N 3.29Å; Q705-L776 PolarHBondContact NE2-O 3.32Å; Q705-P778 HydrophobicContact CB-CG 3.93Å
706R89Confident87.8Confident183 Ų18348.6 Ų48.669%0.69123%0.23SC*.Hα-helixtrans-61.7-44.5172.7-67.3173.8-173.7165.84111.3Y702 R703 L708 I709 Q710Y702-R706 WeakPolarHBondContact O-CG 3.43Å; Y702-R706 PolarHBondContact O-N 3.47Å; R703-R706 PolarHBondContact O-N 2.85Å; R706-L708 PolarHBondContact O-N 2.8Å; R706-I709 PolarHBondContact O-N 3.48Å; R706-Q710 WeakPolarHBondContact O-CB 3.47Å; R706-Q710 PolarHBondContact O-N 3.14Å
707L89.9Confident86.6Confident56 Ų5654 Ų5429%0.29325%0.252SS..Hα-helixtrans-63.6-37.8175.6-68.7169.2000112.6L648 L650 P699 R703 A704 T711L648-L707 HydrophobicContact CD1-CB 4Å; L650-L707 HydrophobicContact CD2-CD1 4.28Å; P699-L707 HydrophobicContact CB-CD1 4.39Å; P699-L707 HydrophobicContact CG-CD1 3.88Å; R703-L707 WeakPolarHBondContact O-CG 3.3Å; R703-L707 PolarHBondContact O-N 2.88Å; R703-L707 VanDerWaalsContact O-N 3.1Å; A704-L707 PolarHBondContact O-N 3.08Å; L707-T711 VanDerWaalsContact O-CB 3.3Å; L707-T711 WeakPolarHBondContact O-CB 3.49Å; L707-T711 PolarHBondContact O-N 3.26Å; L707-T711 PolarHBondContact O-OG1 2.84Å
708L89.1Confident85Confident1 Ų159 Ų591%0.00527%0.274CS..Hα-helixtrans-60.6-49.4174.2174.462.1000111.3L648 A704 Q705 R706 T711 I712 V737 L776 P778L648-L708 HydrophobicContact CB-CD1 4.26Å; L648-L708 HydrophobicContact CD1-CB 4.06Å; A704-L708 WeakPolarHBondContact O-CB 3.43Å; A704-L708 PolarHBondContact O-N 2.9Å; Q705-L708 WeakPolarHBondContact O-CB 3.3Å; Q705-L708 PolarHBondContact O-N 3.45Å; R706-L708 PolarHBondContact O-N 2.8Å; L708-T711 PolarHBondContact O-N 3.03Å; L708-I712 HydrophobicContact CD1-CD1 3.8Å; L708-I712 HydrophobicContact CD1-CG1 4.33Å; L708-I712 HydrophobicContact CG-CD1 3.98Å; L708-I712 WeakPolarHBondContact O-CG1 3.45Å; L708-I712 PolarHBondContact O-N 2.93Å; L708-V737 HydrophobicContact CD1-CG1 3.37Å; L708-L776 HydrophobicContact CD2-CB 3.82Å; L708-P778 HydrophobicContact CB-CB 4.35Å; L708-P778 HydrophobicContact CD2-CB 4.32Å
709I87.1Confident83.1Confident67 Ų6764.7 Ų64.734%0.34431%0.309SS..Hα-helixtrans-60.9-51.6179.3-67.5163.3000109.9Q705 R706 T711 I712 E713 L776Q705-I709 HydrophobicContact CG-CD1 4.22Å; Q705-I709 WeakPolarHBondContact O-CG1 3.49Å; Q705-I709 PolarHBondContact O-N 3.29Å; R706-I709 PolarHBondContact O-N 3.48Å; I709-T711 VanDerWaalsContact C-N 3.27Å; I709-T711 PolarHBondContact O-N 3.32Å; I709-I712 PolarHBondContact O-N 3.34Å; I709-I712 VanDerWaalsContact O-N 3.09Å; I709-E713 HydrophobicContact CG2-CG 4.48Å; I709-E713 WeakPolarHBondContact O-CG 3.45Å; I709-E713 PolarHBondContact O-N 3.23Å; I709-L776 HydrophobicContact CG1-CD1 4.24Å
710Q86.6Confident81.1Confident106 Ų10671.4 Ų71.450%0.49534%0.337SS..Hα-helixtrans-57.8-38.9177.5-174.7-179-2.200112.3R706 E713 D714R706-Q710 WeakPolarHBondContact O-CB 3.47Å; R706-Q710 PolarHBondContact O-N 3.14Å; Q710-E713 PolarHBondContact O-N 2.95Å; Q710-D714 WeakPolarHBondContact O-CB 3.38Å; Q710-D714 PolarHBondContact O-N 2.94Å
711T86.4Confident78.8Confident26 Ų2677.2 Ų77.216%0.1637%0.368CS..Hα-helixtrans-68.6-36.4178.2-55.80000111.9L707 L708 I709 M715 K735 V737L707-T711 VanDerWaalsContact O-CB 3.3Å; L707-T711 WeakPolarHBondContact O-CB 3.49Å; L707-T711 PolarHBondContact O-N 3.26Å; L707-T711 PolarHBondContact O-OG1 2.84Å; L708-T711 PolarHBondContact O-N 3.03Å; I709-T711 VanDerWaalsContact C-N 3.27Å; I709-T711 PolarHBondContact O-N 3.32Å; T711-M715 HydrophobicContact CG2-CE 4.33Å; T711-M715 WeakPolarHBondContact O-CE 3.47Å; T711-M715 VanDerWaalsContact O-CG 3.3Å; T711-M715 WeakPolarHBondContact O-CG 3.39Å; T711-M715 PolarHBondContact O-N 3.48Å; T711-M715 VanDerWaalsContact O-N 3.14Å; T711-K735 HydrophobicContact CG2-CB 4.45Å; T711-K735 HydrophobicContact CG2-CD 4.28Å; T711-V737 HydrophobicContact CG2-CG2 3.66Å
712I85.9Confident76.4Confident47 Ų4782.5 Ų82.524%0.24141%0.405CS..Hα-helixtrans-68-42.2174.6-69.6165.4000110.6L708 I709 M715 S716 V737 L776L708-I712 HydrophobicContact CD1-CD1 3.8Å; L708-I712 HydrophobicContact CD1-CG1 4.33Å; L708-I712 HydrophobicContact CG-CD1 3.98Å; L708-I712 WeakPolarHBondContact O-CG1 3.45Å; L708-I712 PolarHBondContact O-N 2.93Å; I709-I712 PolarHBondContact O-N 3.34Å; I709-I712 VanDerWaalsContact O-N 3.09Å; I712-M715 HydrophobicContact CG1-CE 4.24Å; I712-S716 WeakPolarHBondContact O-CB 3.43Å; I712-S716 PolarHBondContact O-N 3.4Å; I712-S716 VanDerWaalsContact O-N 3.07Å; I712-V737 HydrophobicContact CD1-CG1 4.22Å; I712-V737 HydrophobicContact CG1-CG1 4.03Å; I712-L776 HydrophobicContact CD1-CD1 3.91Å
713E83.9Confident74.4Confident99 Ų9986.4 Ų86.446%0.46343%0.43SS..Hα-helixtrans-60.1-55.3174.2-71.9174.2165.500110.9I709 Q710 M715 S716 F717I709-E713 HydrophobicContact CG2-CG 4.48Å; I709-E713 WeakPolarHBondContact O-CG 3.45Å; I709-E713 PolarHBondContact O-N 3.23Å; Q710-E713 PolarHBondContact O-N 2.95Å; E713-M715 VanDerWaalsContact C-N 3.32Å; E713-M715 PolarHBondContact O-N 3.41Å; E713-S716 WeakPolarHBondContact O-CA 3.46Å; E713-S716 PolarHBondContact O-N 3.33Å; E713-S716 PolarHBondContact O-OG 3.36Å; E713-F717 HydrophobicContact CB-CD2 4.36Å; E713-F717 HydrophobicContact CB-CE2 4.18Å; E713-F717 WeakPolarHBondContact O-CD2 3.3Å; E713-F717 PolarHBondContact O-N 3.07Å
714D82.3Confident72.1Confident56 Ų5691.2 Ų91.230%0.29945%0.454SS..Hα-helixtrans-43.1-55.4173.9-94.36.6000111.8Q710 S716 F717 Q718 K735Q710-D714 WeakPolarHBondContact O-CB 3.38Å; Q710-D714 PolarHBondContact O-N 2.94Å; D714-S716 PolarHBondContact O-N 2.88Å; D714-F717 PolarHBondContact O-N 3.29Å; D714-Q718 WeakPolarHBondContact O-CB 3.38Å; D714-Q718 WeakPolarHBondContact O-CG 3.43Å; D714-Q718 PolarHBondContact O-N 2.91Å; D714-K735 IonicContact OD2-NZ 3.62Å; D714-K735 PolarHBondContact OD2-NZ 3.19Å
715M79.5Confident69.4Low59 Ų5996 Ų9629%0.29149%0.494SS..Hα-helixtrans-60.8-44.9-179.1-71.1-175.9-61.300111.2T711 I712 E713 F717 Q718 T719 K735 V737T711-M715 HydrophobicContact CG2-CE 4.33Å; T711-M715 WeakPolarHBondContact O-CE 3.47Å; T711-M715 VanDerWaalsContact O-CG 3.3Å; T711-M715 WeakPolarHBondContact O-CG 3.39Å; T711-M715 PolarHBondContact O-N 3.48Å; T711-M715 VanDerWaalsContact O-N 3.14Å; I712-M715 HydrophobicContact CG1-CE 4.24Å; E713-M715 VanDerWaalsContact C-N 3.32Å; E713-M715 PolarHBondContact O-N 3.41Å; M715-F717 VanDerWaalsContact C-N 3.27Å; M715-F717 PolarHBondContact O-N 3.31Å; M715-Q718 PolarHBondContact O-N 2.84Å; M715-T719 PolarHBondContact O-N 3.14Å; M715-T719 VanDerWaalsContact O-N 3.11Å; M715-T719 PolarHBondContact O-OG1 2.89Å; M715-K735 HydrophobicContact SD-CB 4.43Å; M715-V737 HydrophobicContact CE-CB 3.94Å; M715-V737 HydrophobicContact CE-CG2 3.71Å
716S73.9Confident66.7Low53 Ų5397.6 Ų97.637%0.37152%0.52SS..Hα-helixtrans-66.2-25.4-179.981.10000114.3I712 E713 D714I712-S716 WeakPolarHBondContact O-CB 3.43Å; I712-S716 PolarHBondContact O-N 3.4Å; I712-S716 VanDerWaalsContact O-N 3.07Å; E713-S716 WeakPolarHBondContact O-CA 3.46Å; E713-S716 PolarHBondContact O-N 3.33Å; E713-S716 PolarHBondContact O-OG 3.36Å; D714-S716 PolarHBondContact O-N 2.88Å
717F65.9Low64.3Low122 Ų122100.6 Ų100.654%0.53553%0.532SS..Hα-helixtrans-84.8-38.7173.4-72.2-65.1000112E713 D714 M715 T719 K720 N721E713-F717 HydrophobicContact CB-CD2 4.36Å; E713-F717 HydrophobicContact CB-CE2 4.18Å; E713-F717 WeakPolarHBondContact O-CD2 3.3Å; E713-F717 PolarHBondContact O-N 3.07Å; D714-F717 PolarHBondContact O-N 3.29Å; M715-F717 VanDerWaalsContact C-N 3.27Å; M715-F717 PolarHBondContact O-N 3.31Å; F717-T719 VanDerWaalsContact C-N 3.29Å; F717-T719 PolarHBondContact O-N 3.01Å; F717-K720 WeakPolarHBondContact O-CB 3.41Å; F717-K720 PolarHBondContact O-N 2.92Å; F717-N721 PolarHBondContact O-N 3.23Å
718Q58.8Low61.3Low119 Ų119106.3 Ų106.356%0.55656%0.557SS**Hα-helixtrans-60.2-37.8175.4-75.3-178.4-1000112.1D714 M715 K720 N721 C722D714-Q718 WeakPolarHBondContact O-CB 3.38Å; D714-Q718 WeakPolarHBondContact O-CG 3.43Å; D714-Q718 PolarHBondContact O-N 2.91Å; M715-Q718 PolarHBondContact O-N 2.84Å; Q718-K720 PolarHBondContact O-N 3.48Å; Q718-K720 VanDerWaalsContact O-N 3.07Å; Q718-N721 PolarHBondContact O-N 3.47Å; Q718-C722 PolarHBondContact O-N 2.82Å
719T52.8Low58.8Low121 Ų121114.4 Ų114.474%0.74260%0.6SS**Hα-helixtrans-58.5-20.1173.7-44.50000113.8M715 F717M715-T719 PolarHBondContact O-N 3.14Å; M715-T719 VanDerWaalsContact O-N 3.11Å; M715-T719 PolarHBondContact O-OG1 2.89Å; F717-T719 VanDerWaalsContact C-N 3.29Å; F717-T719 PolarHBondContact O-N 3.01Å
720K50.8Low56Low148 Ų148116.3 Ų116.364%0.64362%0.615SS**Hα-helixtrans-93.9-27.9-179.6-64.4172-175.9166.60113.9F717 Q718F717-K720 WeakPolarHBondContact O-CB 3.41Å; F717-K720 PolarHBondContact O-N 2.92Å; Q718-K720 PolarHBondContact O-N 3.48Å; Q718-K720 VanDerWaalsContact O-N 3.07Å
721N43.4Very low53.5Low130 Ų130123.6 Ų123.670%0.69564%0.638SS**Hα-helixtrans-99.5-8.3-170.9-71.1-0.7000114.2F717 Q718 L723F717-N721 PolarHBondContact O-N 3.23Å; Q718-N721 PolarHBondContact O-N 3.47Å; N721-L723 PolarHBondContact O-N 3.1Å
722C40.6Very low51.2Low114 Ų114127.3 Ų127.377%0.7767%0.665SS**THydrogen-bonded Turntrans-72.511.7-168.1-151.10000116.3Q718Q718-C722 PolarHBondContact O-N 2.82Å
723L46.3Very low49.3Very low165 Ų165127.8 Ų127.886%0.86468%0.682SS**THydrogen-bonded Turntrans-87.3-10.1177.4-73.7172.9000114.4N721N721-L723 PolarHBondContact O-N 3.1Å
724K41.7Very low48Very low203 Ų203131.9 Ų131.988%0.88370%0.701SS**SBendtrans-146.264.3-176.8-67.7-169.6179-179.40114.7
725A33.2Very low47.3Very low101 Ų101133.9 Ų133.984%0.83571%0.707SS**  trans-152.3128159.100000110.2
726G33.4Very low47.2Very low73 Ų73133.1 Ų133.175%0.75371%0.71SS**  trans-105.1132-179.600000112.4
727R39.2Very low47.7Very low247 Ų247132.3 Ų132.393%0.93270%0.703SS**  trans42.8100.6163.7-67.5-176.5175.8178.5-0.3117.7
728E26.5Very low48.5Very low176 Ų176131.1 Ų131.182%0.82270%0.695SS**  trans-144.1105.2133.8-162.9162.7-128.900110.5T730E728-T730 PolarHBondContact O-N 3.36Å
729N35.5Very low49.6Very low171 Ų171131.3 Ų131.391%0.91470%0.698SS**  trans-82.579.4-179-88.26.1000110.9
730T29.3Very low50.8Low107 Ų107126.9 Ų126.966%0.65667%0.671SS**  trans-87.8137.8152.7490000109.2E728 S732E728-T730 PolarHBondContact O-N 3.36Å; T730-S732 PolarHBondContact O-N 3.16Å
731W34Very low51.7Low259 Ų259123.3 Ų123.398%0.98167%0.665SS**  trans-77.165.5-174.8-159.8-45.1000110.9G733W731-G733 PolarHBondContact O-N 3.33Å; W731-G733 VanDerWaalsContact O-N 3.15Å
732S37.5Very low52.7Low103 Ų103119 Ų11972%0.7264%0.643SS**  trans-63.6114.4169.156.10000108.8T730 Q734T730-S732 PolarHBondContact O-N 3.16Å; S732-Q734 PolarHBondContact O-N 3.45Å
733G46.9Very low53.2Low57 Ų57117.3 Ų117.359%0.58865%0.645SS**  trans-57.3135.8175.900000109.8W731 K735W731-G733 PolarHBondContact O-N 3.33Å; W731-G733 VanDerWaalsContact O-N 3.15Å; G733-K735 PolarHBondContact O-N 3.03Å; G733-K735 VanDerWaalsContact O-N 3.08Å
734Q56.4Low53.4Low185 Ų185117.1 Ų117.186%0.86463%0.633SS**  trans-51.7120.3-176.7-69.5-179.4-45.100110S732 A736S732-Q734 PolarHBondContact O-N 3.45Å; Q734-A736 PolarHBondContact O-N 2.84Å
735K68.2Low53.6Low98 Ų98117 Ų11743%0.42664%0.635SS.*  trans-65.776.5177.3-77.1-175.6169.2-176.80110T711 D714 M715 G733T711-K735 HydrophobicContact CG2-CB 4.45Å; T711-K735 HydrophobicContact CG2-CD 4.28Å; D714-K735 IonicContact OD2-NZ 3.62Å; D714-K735 PolarHBondContact OD2-NZ 3.19Å; M715-K735 HydrophobicContact SD-CB 4.43Å; G733-K735 PolarHBondContact O-N 3.03Å; G733-K735 VanDerWaalsContact O-N 3.08Å
736A76.9Confident54.5Low43 Ų43115.2 Ų115.236%0.35563%0.626SS.*  trans-77.7128.1-178.800000110.5S649 C662 Q734S649-A736 PolarHBondContact N-O 2.93Å; C662-A736 HydrophobicContact CB-CB 3.78Å; C662-A736 WeakPolarHBondContact CB-O 3.45Å; Q734-A736 PolarHBondContact O-N 2.84Å
737V84.4Confident55.5Low36 Ų36116.4 Ų116.422%0.21861%0.608CS.*BIsolated β-bridgetrans-133.6136.1178.1174.60000109.1N647 L708 T711 I712 M715N647-V737 WeakPolarHBondContact O-CA 3.38Å; L708-V737 HydrophobicContact CD1-CG1 3.37Å; T711-V737 HydrophobicContact CG2-CG2 3.66Å; I712-V737 HydrophobicContact CD1-CG1 4.22Å; I712-V737 HydrophobicContact CG1-CG1 4.03Å; M715-V737 HydrophobicContact CE-CB 3.94Å; M715-V737 HydrophobicContact CE-CG2 3.71Å
738R83.5Confident56.4Low97 Ų97106.2 Ų106.237%0.36657%0.572SS.*  trans-109.1107.1175.9175.6179.9164.3150.11.1108.6N647 C662 N663 V740N647-R738 HydrophobicContact CB-CB 4.15Å; N647-R738 PolarHBondContact O-N 2.92Å; N647-R738 WeakPolarHBondContact OD1-CD 3.29Å; C662-R738 VanDerWaalsContact SG-CB 3.55Å; N663-R738 VanDerWaalsContact OD1-CD 3.29Å; N663-R738 WeakPolarHBondContact OD1-CD 3.32Å; N663-R738 PolarHBondContact OD1-NH1 3.35Å; R738-V740 HydrophobicContact CG-CG2 3.9Å; R738-V740 PolarHBondContact O-N 3.13Å; R738-V740 VanDerWaalsContact O-N 3.1Å
739I81.1Confident57.8Low124 Ų12499.6 Ų99.664%0.63655%0.545SS*.  trans-68.6111.7177-58.6176.4000108.7L776I739-L776 HydrophobicContact CG2-CD2 4Å
740V78.4Confident59Low28 Ų2891.7 Ų91.717%0.1750%0.502CS..  trans-121.1126.8171.2-176.80000108.2R738 M777R738-V740 HydrophobicContact CG-CG2 3.9Å; R738-V740 PolarHBondContact O-N 3.13Å; R738-V740 VanDerWaalsContact O-N 3.1Å; V740-M777 HydrophobicContact CB-CB 4.21Å; V740-M777 HydrophobicContact CG1-CB 4.26Å; V740-M777 HydrophobicContact CG1-CG 4.39Å; V740-M777 HydrophobicContact CG1-SD 3.76Å; V740-M777 PolarHBondContact O-N 3Å
741S69.1Low60.6Low73 Ų7388 Ų8851%0.5148%0.476SS..EExtended strand (participates in β ladder)trans-123.7143-177.345.50000111V774S741-V774 VanDerWaalsContact CB-CG1 3.47Å
742T64.8Low61.7Low39 Ų3977.2 Ų77.224%0.23944%0.439CS..EExtended strand (participates in β ladder)trans-119.9137.517151.80000111.3T775 M777T742-T775 PolarHBondContact N-O 3.49Å; T742-M777 HydrophobicContact CG2-CG 4.36Å; T742-M777 HydrophobicContact CG2-SD 3.55Å; T742-M777 VanDerWaalsContact CG2-SD 3.55Å
743G51.8Low62.4Low78 Ų7873.8 Ų73.880%0.80442%0.415SS*.  trans-79139.2151.300000108.3
744R50.6Low62.8Low162 Ų16273.5 Ų73.561%0.61140%0.402SS*.  trans-80.2124.3-175.9-74.5-177.5172.1-120.5-2.5112.1
745Q45.4Very low62.8Low200 Ų20069.1 Ų69.194%0.93538%0.384SS*.  trans-167.1128.2137.3-105163.47.500108.3
746G51.5Low62.3Low63 Ų6369.5 Ų69.565%0.64939%0.387SS*.SBendtrans117.7145.6179.900000115.6
747R54.3Low60.9Low99 Ų9971.6 Ų71.637%0.37439%0.39SS..  trans-65.6137.3173.7-173.3178.9-175.9-95.91.5110.3V593 S597V593-R747 PolarHBondContact O-NH2 2.87Å; S597-R747 PolarHBondContact OG-NH2 3.14Å
748N57.8Low58.8Low33 Ų3377.1 Ų77.118%0.17642%0.418CS..BIsolated β-bridgetrans-136.4124.6-178.3-167.6-63.7000110.7L750 W751N748-L750 PolarHBondContact O-N 2.86Å; N748-L750 WeakPolarHBondContact OD1-CB 3.37Å; N748-L750 WeakPolarHBondContact OD1-CG 3.37Å; N748-L750 PolarHBondContact OD1-N 3.07Å; N748-W751 HydrophobicContact CB-CD2 4.07Å; N748-W751 HydrophobicContact CB-CE3 4.32Å; N748-W751 HydrophobicContact CB-CH2 3.87Å; N748-W751 HydrophobicContact CB-CZ2 3.53Å; N748-W751 HydrophobicContact CB-CZ3 4.24Å; N748-W751 WeakPolarHBondContact ND2-CH2 3.37Å; N748-W751 PolarHBondContact O-N 3.32Å; N748-W751 VanDerWaalsContact O-N 3.11Å
749P56.2Low56.5Low37 Ų3778.2 Ų78.224%0.2444%0.436CS..THydrogen-bonded Turntrans-71.713.8-173.732.4-38.3000114.8E601 L781E601-P749 VanDerWaalsContact OE1-CA 3.31Å; E601-P749 WeakPolarHBondContact OE1-CA 3.45Å; P749-L781 HydrophobicContact CG-CD1 4.11Å; P749-L781 HydrophobicContact CG-CD2 3.64Å; P749-L781 HydrophobicContact CG-CG 4.48Å
750L60.6Low54.7Low5 Ų580.6 Ų80.63%0.02645%0.45CS..THydrogen-bonded Turntrans-106.8-10.9173.4-58.2-179.7000112.9F642 I644 W680 Y701 N748 M777 Y779 L781F642-L750 HydrophobicContact CD2-CD2 4.2Å; F642-L750 HydrophobicContact CE2-CD2 3.56Å; F642-L750 HydrophobicContact CZ-CD2 4.41Å; I644-L750 HydrophobicContact CG2-CD2 3.71Å; W680-L750 HydrophobicContact CH2-CD2 4.07Å; W680-L750 HydrophobicContact CZ3-CD2 4.33Å; Y701-L750 WeakPolarHBondContact CB-O 3.36Å; Y701-L750 WeakPolarHBondContact CD1-O 3.34Å; Y701-L750 HydrophobicContact CD2-CB 3.82Å; Y701-L750 HydrophobicContact CE2-CB 4.09Å; Y701-L750 HydrophobicContact CE2-CD1 4.47Å; Y701-L750 HydrophobicContact CG-CB 4.4Å; N748-L750 PolarHBondContact O-N 2.86Å; N748-L750 WeakPolarHBondContact OD1-CB 3.37Å; N748-L750 WeakPolarHBondContact OD1-CG 3.37Å; N748-L750 PolarHBondContact OD1-N 3.07Å; L750-M777 HydrophobicContact CD1-CE 4.31Å; L750-Y779 WeakPolarHBondContact CD1-O 3.49Å; L750-L781 HydrophobicContact CD1-CB 4.15Å; L750-L781 HydrophobicContact CD2-CD1 4.41Å; L750-L781 HydrophobicContact CG-CB 4.49Å
751W62.6Low52.5Low29 Ų2982.4 Ų82.411%0.1147%0.474CS..BIsolated β-bridgetrans-156.8140.3174.762.580.2000111.2Y701 Y702 N748 S753 M777Y701-W751 HydrophobicContact CD1-CB 4.15Å; Y701-W751 HydrophobicContact CD1-CE3 4.46Å; Y701-W751 HydrophobicContact CD2-CE3 4.49Å; Y701-W751 HydrophobicContact CE1-CB 4.15Å; Y701-W751 HydrophobicContact CE1-CD2 4.34Å; Y701-W751 AromaticContact CE1-CE3 3.74Å; Y701-W751 HydrophobicContact CE1-CE3 3.74Å; Y701-W751 AromaticContact CE2-CE3 3.76Å; Y701-W751 HydrophobicContact CE2-CE3 3.76Å; Y701-W751 AromaticContact CE2-CZ3 3.99Å; Y701-W751 HydrophobicContact CE2-CZ3 3.99Å; Y701-W751 AromaticContact CZ-CE3 3.34Å; Y701-W751 AromaticContact CZ-CZ3 3.72Å; Y701-W751 WeakPolarHBondContact OH-CZ3 3.46Å; Y702-W751 HydrophobicContact CE1-CB 4.42Å; N748-W751 HydrophobicContact CB-CD2 4.07Å; N748-W751 HydrophobicContact CB-CE3 4.32Å; N748-W751 HydrophobicContact CB-CH2 3.87Å; N748-W751 HydrophobicContact CB-CZ2 3.53Å; N748-W751 HydrophobicContact CB-CZ3 4.24Å; N748-W751 WeakPolarHBondContact ND2-CH2 3.37Å; N748-W751 PolarHBondContact O-N 3.32Å; N748-W751 VanDerWaalsContact O-N 3.11Å; W751-S753 PolarHBondContact O-N 2.99Å; W751-M777 HydrophobicContact CH2-CE 3.89Å; W751-M777 HydrophobicContact CH2-SD 4.49Å; W751-M777 HydrophobicContact CZ3-CE 3.67Å; W751-M777 HydrophobicContact CZ3-CG 4.36Å
752V56.8Low51.3Low33 Ų3385.9 Ų85.920%0.249%0.493CS..  trans-66.5125.7177-171.30000110.5M592 E601 W604 Y702M592-V752 HydrophobicContact CE-CG1 3.69Å; E601-V752 HydrophobicContact CB-CG2 4.08Å; E601-V752 HydrophobicContact CG-CG2 3.89Å; W604-V752 HydrophobicContact CD2-CG2 4.17Å; W604-V752 HydrophobicContact CE3-CB 3.95Å; W604-V752 HydrophobicContact CE3-CG1 3.67Å; W604-V752 HydrophobicContact CE3-CG2 3.8Å; W604-V752 HydrophobicContact CG-CG2 4.5Å; W604-V752 HydrophobicContact CH2-CG1 4.42Å; W604-V752 HydrophobicContact CZ3-CB 4.07Å; W604-V752 HydrophobicContact CZ3-CG1 3.52Å; W604-V752 HydrophobicContact CZ3-CG2 4.43Å; Y702-V752 PolarHBondContact OH-N 3.45Å; Y702-V752 VanDerWaalsContact OH-N 3.15Å
753S53.3Low49.8Very low30 Ų3093.4 Ų93.421%0.2153%0.525CS..  trans-108126159.955.60000108.8W751W751-S753 PolarHBondContact O-N 2.99Å
754V55.3Low49.4Very low52 Ų5295.9 Ų95.932%0.31553%0.53SS..PPolyproline II helixtrans-89.5123.3167.5-177.60000107.3L590 M592 W604L590-V754 HydrophobicContact CB-CG1 4.15Å; L590-V754 HydrophobicContact CD1-CG1 4.27Å; L590-V754 HydrophobicContact CD2-CG1 3.99Å; L590-V754 HydrophobicContact CG-CG1 4.36Å; M592-V754 HydrophobicContact CE-CG2 4.17Å; W604-V754 HydrophobicContact CH2-CG2 4.23Å; W604-V754 HydrophobicContact CZ3-CG2 4.11Å
755D56.6Low48.4Very low92 Ų9291.2 Ų91.249%0.49253%0.532SS..EExtended strand (participates in β ladder)trans-87.7118.1173.6-63.8-40.4000108.5
756E57.3Low47.5Very low106 Ų10687.1 Ų87.150%0.49553%0.526SS..EExtended strand (participates in β ladder)trans-75.3128.2170.3-56.2-158.9121.800108.5R588 L590 N758R588-E756 WeakPolarHBondContact CD-OE1 3.48Å; R588-E756 IonicContact CZ-OE1 2.76Å; R588-E756 IonicContact CZ-OE2 2.74Å; R588-E756 IonicContact NE-OE1 3.24Å; R588-E756 IonicContact NH1-OE1 3.86Å; R588-E756 PolarHBondContact NH1-OE1 3.29Å; R588-E756 IonicContact NH1-OE2 2.85Å; R588-E756 PolarHBondContact NH1-OE2 2.98Å; L590-E756 HydrophobicContact CD2-CG 4.06Å; E756-N758 PolarHBondContact O-N 3.16Å; E756-N758 VanDerWaalsContact O-N 3.09Å
757E47.9Very low46.8Very low88 Ų8889.6 Ų89.641%0.41153%0.53SS..  trans-72108.4-177.8-166.3160-119.300109.2T759E757-T759 VanDerWaalsContact C-N 3.29Å; E757-T759 PolarHBondContact O-N 3.46Å
758N40.2Very low45.7Very low152 Ų15290.7 Ų90.781%0.81355%0.548SS*.  trans-64.182.5-177.1-102.1-3.9000111.7E756 N760E756-N758 PolarHBondContact O-N 3.16Å; E756-N758 VanDerWaalsContact O-N 3.09Å; N758-N760 PolarHBondContact O-N 3.49Å
759T35.9Very low44.5Very low120 Ų12094.2 Ų94.274%0.73657%0.572SS**  trans-65.1115.7166.353.40000108.5E757 G761E757-T759 VanDerWaalsContact C-N 3.29Å; E757-T759 PolarHBondContact O-N 3.46Å; T759-G761 PolarHBondContact O-N 3.02Å
760N42.6Very low43.6Very low173 Ų17397.9 Ų97.993%0.92560%0.596SS**  trans-66.781.9176.8-73-31.4000110.7N758N758-N760 PolarHBondContact O-N 3.49Å
761G32.4Very low42.3Very low67 Ų67106.8 Ų106.869%0.69164%0.635SS**  trans-116.3112.1179.400000110.9T759 E763T759-G761 PolarHBondContact O-N 3.02Å; G761-E763 PolarHBondContact O-N 3.39Å
762T42.9Very low41.2Very low146 Ų146111 Ų11190%0.89667%0.668SS**  trans-75108.9172.5-56.70000110.1
763E34.2Very low40.6Very low197 Ų197113.2 Ų113.292%0.92169%0.685SS**  trans-155.9163.6154.6-124.4166.9-131.700113.2G761G761-E763 PolarHBondContact O-N 3.39Å
764S42.3Very low40.7Very low130 Ų130116.3 Ų116.391%0.90970%0.702SS**  trans-99.8121.4-161.5-174.40000113.5
765G29.7Very low41.3Very low63 Ų63114.9 Ų114.965%0.64969%0.694SS**  trans175.411616800000109.3P767G765-P767 WeakPolarHBondContact O-CD 3.5Å
766S27.9Very low42.5Very low114 Ų114112.4 Ų112.480%0.79768%0.68SS**  trans-70.8115.9-171.146.30000112V768S766-V768 PolarHBondContact O-N 2.93Å
767P36.7Very low43.9Very low115 Ų115107.8 Ų107.875%0.74766%0.659SS**PPolyproline II helixtrans-66.5123.2159.329.7-31.2000106.8G765 P769G765-P767 WeakPolarHBondContact O-CD 3.5Å; P767-P769 WeakPolarHBondContact O-CD 3.39Å; P767-P769 VanDerWaalsContact O-N 3.13Å
768V30.9Very low45.9Very low122 Ų122103.6 Ų103.674%0.73964%0.639SS**PPolyproline II helixtrans-55.8121.4169.9175.30000107S766 P770S766-V768 PolarHBondContact O-N 2.93Å; V768-P770 VanDerWaalsContact O-N 3.13Å
769P32.2Very low48.4Very low107 Ų10796.4 Ų96.470%0.69560%0.6SS**PPolyproline II helixtrans-58.8123.5-178.622.9-32.6000108P767 K771P767-P769 WeakPolarHBondContact O-CD 3.39Å; P767-P769 VanDerWaalsContact O-N 3.13Å; P769-K771 PolarHBondContact O-N 2.87Å
770P37.2Very low51Low114 Ų11492 Ų9274%0.7457%0.574SS**PPolyproline II helixtrans-61.7117.1-173.222.7-32.4000109V768 S772V768-P770 VanDerWaalsContact O-N 3.13Å; P770-S772 PolarHBondContact O-N 3.5Å; P770-S772 VanDerWaalsContact O-N 3.16Å
771K32.8Very low53.3Low192 Ų19286.9 Ų86.984%0.83555%0.546SS*.  trans-44.8124176.6-63.2178.6-178.5178.50108.3P769 C773P769-K771 PolarHBondContact O-N 2.87Å; K771-C773 PolarHBondContact O-N 3.47Å
772S39.3Very low55.9Low117 Ų11785 Ų8582%0.81852%0.521SS*.  trans-53.492.6-163.440.90000112.9P770 V774P770-S772 PolarHBondContact O-N 3.5Å; P770-S772 VanDerWaalsContact O-N 3.16Å; S772-V774 PolarHBondContact O-N 3.09Å
773C44.4Very low58Low80 Ų8083.5 Ų83.554%0.54151%0.512SS..  trans-81.184.8-17053.50000110.6K771 T775K771-C773 PolarHBondContact O-N 3.47Å; C773-T775 PolarHBondContact O-N 2.97Å; C773-T775 PolarHBondContact O-OG1 2.99Å
774V57Low60.3Low95 Ų9576.9 Ų76.958%0.57649%0.486SS*.  trans-49.5105.8171.7168.10000109.4S741 S772S741-V774 VanDerWaalsContact CB-CG1 3.47Å; S772-V774 PolarHBondContact O-N 3.09Å
775T66.6Low62.1Low23 Ų2375.3 Ų75.314%0.14146%0.464CS..EExtended strand (participates in β ladder)trans-87.2116.7178.2-58.80000107.9T742 C773T742-T775 PolarHBondContact N-O 3.49Å; C773-T775 PolarHBondContact O-N 2.97Å; C773-T775 PolarHBondContact O-OG1 2.99Å
776L82.2Confident64.5Low40 Ų4080 Ų8021%0.20947%0.467CS..EExtended strand (participates in β ladder)trans-78.2127.5177.4-69.7173.1000110.2Q705 L708 I709 I712 I739 P778Q705-L776 PolarHBondContact NE2-O 3.32Å; L708-L776 HydrophobicContact CD2-CB 3.82Å; I709-L776 HydrophobicContact CG1-CD1 4.24Å; I712-L776 HydrophobicContact CD1-CD1 3.91Å; I739-L776 HydrophobicContact CG2-CD2 4Å; L776-P778 WeakPolarHBondContact O-CD 3.5Å
777M86.4Confident66.9Low9 Ų977 Ų774%0.04444%0.444CS..  trans-98.1111.9-178.1-64.7179.282.900111.9N647 V740 T742 L750 W751 Y779N647-M777 WeakPolarHBondContact CB-O 3.29Å; N647-M777 PolarHBondContact ND2-O 3.1Å; V740-M777 HydrophobicContact CB-CB 4.21Å; V740-M777 HydrophobicContact CG1-CB 4.26Å; V740-M777 HydrophobicContact CG1-CG 4.39Å; V740-M777 HydrophobicContact CG1-SD 3.76Å; V740-M777 PolarHBondContact O-N 3Å; T742-M777 HydrophobicContact CG2-CG 4.36Å; T742-M777 HydrophobicContact CG2-SD 3.55Å; T742-M777 VanDerWaalsContact CG2-SD 3.55Å; L750-M777 HydrophobicContact CD1-CE 4.31Å; W751-M777 HydrophobicContact CH2-CE 3.89Å; W751-M777 HydrophobicContact CH2-SD 4.49Å; W751-M777 HydrophobicContact CZ3-CE 3.67Å; W751-M777 HydrophobicContact CZ3-CG 4.36Å; M777-Y779 VanDerWaalsContact C-N 3.3Å; M777-Y779 WeakPolarHBondContact CE-O 3.48Å
778P90.5Very high68.6Low0 Ų077.6 Ų77.60%045%0.448CS..SBendtrans-68.8-29170.930.8-39.3000113.3N647 L648 Y701 A704 Q705 L708 L776N647-P778 WeakPolarHBondContact CB-O 3.43Å; N647-P778 PolarHBondContact N-O 3.32Å; L648-P778 HydrophobicContact CD2-CB 3.87Å; L648-P778 WeakPolarHBondContact CD2-O 3.37Å; Y701-P778 HydrophobicContact CD2-CG 3.82Å; Y701-P778 HydrophobicContact CE2-CG 3.79Å; Y701-P778 HydrophobicContact CG-CG 4.33Å; A704-P778 HydrophobicContact CB-CB 3.58Å; A704-P778 HydrophobicContact CB-CG 3.83Å; Q705-P778 HydrophobicContact CB-CG 3.93Å; L708-P778 HydrophobicContact CB-CB 4.35Å; L708-P778 HydrophobicContact CD2-CB 4.32Å; L776-P778 WeakPolarHBondContact O-CD 3.5Å
779Y92.6Very high71.2Confident0 Ų074.7 Ų74.70%043%0.431CS..EExtended strand (participates in β ladder)trans-129143.1177.3-55-46.2000109.1I644 R645 V646 L648 W680 P699 Y701 A704 L750 M777I644-Y779 HydrophobicContact CD1-CD1 3.97Å; I644-Y779 HydrophobicContact CD1-CD2 4.13Å; I644-Y779 HydrophobicContact CD1-CE1 4.34Å; I644-Y779 HydrophobicContact CD1-CE2 4.47Å; I644-Y779 HydrophobicContact CD1-CG 3.87Å; R645-Y779 CarbonylContact O-C 3.51Å; R645-Y779 WeakPolarHBondContact O-CA 3.49Å; V646-Y779 HydrophobicContact CG2-CD1 4.48Å; V646-Y779 HydrophobicContact CG2-CE1 4.43Å; L648-Y779 HydrophobicContact CD2-CE1 4.31Å; W680-Y779 HydrophobicContact CE3-CD2 4.42Å; W680-Y779 HydrophobicContact CE3-CE2 4.24Å; W680-Y779 HydrophobicContact CH2-CD2 4.39Å; W680-Y779 AromaticContact CZ3-CD2 3.78Å; W680-Y779 HydrophobicContact CZ3-CD2 3.78Å; W680-Y779 HydrophobicContact CZ3-CE2 4.04Å; P699-Y779 VanDerWaalsContact O-CE2 3.27Å; P699-Y779 WeakPolarHBondContact O-CE2 3.48Å; P699-Y779 PolarHBondContact O-OH 3.27Å; Y701-Y779 HydrophobicContact CD2-CD2 4.24Å; A704-Y779 HydrophobicContact CB-CD2 4.32Å; A704-Y779 HydrophobicContact CB-CE1 4.26Å; A704-Y779 HydrophobicContact CB-CE2 3.54Å; A704-Y779 WeakPolarHBondContact CB-OH 3.44Å; L750-Y779 WeakPolarHBondContact CD1-O 3.49Å; M777-Y779 VanDerWaalsContact C-N 3.3Å; M777-Y779 WeakPolarHBondContact CE-O 3.48Å
780T90.7Very high73.9Confident29 Ų2971.2 Ų71.218%0.17841%0.409CS..EExtended strand (participates in β ladder)trans-119.9125.9172.8-62.60000108.9I644 R645 N647 V782I644-T780 WeakPolarHBondContact CA-O 3.38Å; R645-T780 PolarHBondContact N-O 2.84Å; R645-T780 PolarHBondContact O-N 3.19Å; N647-T780 PolarHBondContact ND2-OG1 2.91Å; T780-V782 PolarHBondContact O-N 3.28Å
781L89.9Confident76.5Confident64 Ų6470.1 Ų70.134%0.33539%0.39SS..EExtended strand (participates in β ladder)trans-59137.1176.5-16974.9000109.7F642 P749 L750F642-L781 HydrophobicContact CB-CD1 4.24Å; F642-L781 HydrophobicContact CD2-CD1 3.86Å; F642-L781 HydrophobicContact CG-CD1 4.43Å; P749-L781 HydrophobicContact CG-CD1 4.11Å; P749-L781 HydrophobicContact CG-CD2 3.64Å; P749-L781 HydrophobicContact CG-CG 4.48Å; L750-L781 HydrophobicContact CD1-CB 4.15Å; L750-L781 HydrophobicContact CD2-CD1 4.41Å; L750-L781 HydrophobicContact CG-CB 4.49Å
782V88.4Confident79.4Confident27 Ų2761 Ų6116%0.16435%0.35CS..EExtended strand (participates in β ladder)trans-134.4156.8174.3-64.40000110Y643 R645 I665 T780Y643-V782 WeakPolarHBondContact CB-O 3.35Å; Y643-V782 PolarHBondContact O-N 3.28Å; R645-V782 HydrophobicContact CB-CG1 3.91Å; I665-V782 HydrophobicContact CD1-CG2 4.43Å; I665-V782 HydrophobicContact CG2-CG2 4.15Å; T780-V782 PolarHBondContact O-N 3.28Å
783T85.8Confident81.9Confident115 Ų11555.9 Ų55.971%0.70631%0.314SS*.  trans-126.1148171.949.20000109.4H785T783-H785 PolarHBondContact O-N 3.22Å; T783-H785 VanDerWaalsContact O-N 3.16Å
784P82.4Confident84.2Confident59 Ų5952.1 Ų52.138%0.38329%0.288SS..  trans-70.7108.9173.128.8-33000109.4Y643 L690 F786Y643-P784 HydrophobicContact CE2-CG 4.41Å; L690-P784 HydrophobicContact CD1-CB 3.95Å; L690-P784 HydrophobicContact CD1-CG 4.33Å; L690-P784 HydrophobicContact CD2-CB 4.1Å; L690-P784 HydrophobicContact CD2-CG 4.01Å; P784-F786 HydrophobicContact CB-CE2 4.08Å
785H81.6Confident85.8Confident96 Ų9648 Ų4844%0.44426%0.263SS..  trans-106130.5178.3177.788.5000110.3T783T783-H785 PolarHBondContact O-N 3.22Å; T783-H785 VanDerWaalsContact O-N 3.16Å
786F79.9Confident86.7Confident161 Ų16147.9 Ų47.971%0.70626%0.261SS*.  trans-115.897.2-179.7-62.9-86.2000109P784P784-F786 HydrophobicContact CB-CE2 4.08Å
787P76.9Confident86.9Confident51 Ų5148.6 Ų48.633%0.33127%0.268SS..  trans-61.1132.8-178.2-25.535.3000111.9V789 R791P787-V789 PolarHBondContact O-N 3.04Å; P787-R791 HydrophobicContact CB-CG 4.19Å; P787-R791 HydrophobicContact CG-CG 4.04Å
788P74.1Confident86.9Confident128 Ų12849.9 Ų49.983%0.83128%0.276SS*.SBendtrans-77.5-3.3177.932.4-36.4000113.5
789V84.4Confident86.4Confident62 Ų6256.4 Ų56.438%0.37631%0.31SS..SBendtrans-137.9157-175.2-66.40000111.4P787 R791 M857P787-V789 PolarHBondContact O-N 3.04Å; V789-R791 PolarHBondContact O-N 3.3Å; V789-M857 HydrophobicContact CG2-CB 4.44Å; V789-M857 HydrophobicContact CG2-CE 3.71Å
790C88.8Confident85.8Confident33 Ų3358.1 Ų58.122%0.22332%0.319CS..PPolyproline II helixtrans-55.2129.2176-68.30000111.9M857 G860 L861C790-M857 WeakPolarHBondContact O-CG 3.39Å; C790-G860 PolarHBondContact SG-O 2.98Å; C790-G860 VanDerWaalsContact SG-O 3.41Å; C790-L861 WeakPolarHBondContact CB-O 3.34Å
791R91.9Very high85.5Confident92 Ų9257 Ų5735%0.34731%0.313SS..PPolyproline II helixtrans-81.3147.4-176.6-60.8168.565.5-177.8-6.3111.1P787 V789 H862 Y881 P882 V883P787-R791 HydrophobicContact CB-CG 4.19Å; P787-R791 HydrophobicContact CG-CG 4.04Å; V789-R791 PolarHBondContact O-N 3.3Å; R791-H862 PolarHBondContact O-ND1 3.38Å; R791-Y881 VanDerWaalsContact CZ-O 3.31Å; R791-Y881 PolarHBondContact NE-O 3.47Å; R791-Y881 PolarHBondContact NH2-O 3.07Å; R791-P882 PolarHBondContact NH2-O 3.05Å; R791-V883 HydrophobicContact CB-CG2 3.97Å
792P92.9Very high85.1Confident1 Ų160.1 Ų60.11%0.00632%0.321CS..PPolyproline II helixtrans-63.2156.3170.9-20.433.7000112V853 M857 C863 L865 I880 P882 V883P792-V853 HydrophobicContact CB-CG1 4.07Å; P792-V853 HydrophobicContact CG-CG1 3.42Å; P792-V853 VanDerWaalsContact CG-CG1 3.42Å; P792-M857 HydrophobicContact CG-CG 4.25Å; P792-M857 HydrophobicContact CG-SD 3.61Å; P792-C863 CarbonylContact C-O 3.48Å; P792-C863 WeakPolarHBondContact CA-O 3.45Å; P792-C863 HydrophobicContact CB-CB 4.14Å; P792-C863 HydrophobicContact CG-CB 4.4Å; P792-L865 HydrophobicContact CB-CD1 3.65Å; P792-L865 HydrophobicContact CB-CG 4.02Å; P792-I880 HydrophobicContact CG-CG2 3.6Å; P792-P882 HydrophobicContact CB-CB 4.42Å; P792-P882 CarbonylContact O-C 3.23Å; P792-P882 VanDerWaalsContact O-CA 3.32Å; P792-P882 WeakPolarHBondContact O-CA 3.25Å; P792-V883 PolarHBondContact O-N 3.11Å
793I92.4Very high84.7Confident9 Ų965.5 Ų65.55%0.04635%0.346CS..EExtended strand (participates in β ladder)trans-124.7129.1-176-57.6-177.9000110.2L795 L808 F814 H862 C863 L865 V883 I885I793-L795 HydrophobicContact CG2-CD2 4.2Å; I793-L808 HydrophobicContact CG2-CD2 4.49Å; I793-F814 HydrophobicContact CD1-CD1 3.94Å; I793-F814 HydrophobicContact CD1-CE1 3.54Å; I793-H862 HydrophobicContact CD1-CB 3.78Å; I793-H862 HydrophobicContact CG1-CB 4.27Å; I793-C863 PolarHBondContact N-O 2.99Å; I793-L865 PolarHBondContact O-N 2.95Å; I793-V883 CarbonylContact C-O 3.52Å; I793-V883 WeakPolarHBondContact CA-O 3.49Å; I793-V883 HydrophobicContact CG1-CB 4.37Å; I793-I885 HydrophobicContact CG2-CD1 3.98Å; I793-I885 HydrophobicContact CG2-CG1 4.41Å
794L92.6Very high84.5Confident1 Ų162.2 Ų62.21%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-111.9130.5172.2-73.6160.6000109.9L865 L867 V872 P882 V883 I884 I885L794-L865 HydrophobicContact CD2-CB 3.55Å; L794-L865 HydrophobicContact CD2-CD1 4.07Å; L794-L865 HydrophobicContact CD2-CG 4.46Å; L794-L865 HydrophobicContact CG-CB 4.14Å; L794-L865 HydrophobicContact CG-CD1 4.06Å; L794-L867 HydrophobicContact CD2-CB 4.05Å; L794-V872 HydrophobicContact CD1-CG2 3.4Å; L794-V872 VanDerWaalsContact CD1-CG2 3.4Å; L794-P882 HydrophobicContact CD1-CB 3.99Å; L794-P882 HydrophobicContact CD1-CG 4.01Å; L794-V883 PolarHBondContact N-O 3.25Å; L794-I884 HydrophobicContact CB-CG1 4.35Å; L794-I884 HydrophobicContact CD1-CG1 4.27Å; L794-I885 PolarHBondContact O-N 3Å
795L89.9Confident84.6Confident9 Ų960.4 Ų60.45%0.04731%0.31CS..EExtended strand (participates in β ladder)trans-106.3118.5178.9-62.9179.8000110I793 G801 L804 L808 I885I793-L795 HydrophobicContact CG2-CD2 4.2Å; L795-G801 VanDerWaalsContact CB-CA 3.48Å; L795-L804 HydrophobicContact CD1-CB 4.02Å; L795-L808 HydrophobicContact CD1-CD2 4.09Å; L795-L808 HydrophobicContact CD2-CD2 4.38Å; L795-I885 HydrophobicContact CD2-CB 4.05Å; L795-I885 HydrophobicContact CD2-CD1 4.12Å
796L87.3Confident84.7Confident20 Ų2063 Ų6311%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-118146.5-178-63.9178.5000111.9L869 I884 I885 F886 I887L796-L869 HydrophobicContact CD1-CD1 3.96Å; L796-L869 HydrophobicContact CD1-CD2 3.75Å; L796-L869 HydrophobicContact CD1-CG 3.75Å; L796-L869 HydrophobicContact CD2-CG 4.33Å; L796-I884 HydrophobicContact CD1-CG2 3.5Å; L796-I884 VanDerWaalsContact CD1-CG2 3.5Å; L796-I884 HydrophobicContact CG-CG2 4.17Å; L796-I885 PolarHBondContact N-O 3.44Å; L796-F886 HydrophobicContact CB-CD2 3.94Å; L796-I887 WeakPolarHBondContact O-CB 3.41Å; L796-I887 PolarHBondContact O-N 3.42Å
797P86.4Confident84.8Confident54 Ų5461.3 Ų61.335%0.35131%0.312SS..SBendcis-63.1145.2-8.6-21.133.9000112.3I799 L800 G801 F886P797-I799 PolarHBondContact O-N 2.93Å; P797-L800 WeakPolarHBondContact O-CA 3.19Å; P797-L800 PolarHBondContact O-N 3.31Å; P797-G801 PolarHBondContact O-N 2.98Å; P797-G801 VanDerWaalsContact O-N 3.12Å; P797-F886 HydrophobicContact CG-CE2 4.42Å
798T85.3Confident85.1Confident36 Ų3659.4 Ų59.422%0.22130%0.299CS..Hα-helixtrans-55.8-25.2-171.9-50.30000113.9G801 R802 L867T798-G801 WeakPolarHBondContact O-CA 3.34Å; T798-G801 PolarHBondContact O-N 3.32Å; T798-R802 HydrophobicContact CG2-CG 4.48Å; T798-R802 PolarHBondContact O-N 3.11Å; T798-L867 WeakPolarHBondContact CG2-O 3.47Å; T798-L867 PolarHBondContact OG1-O 3.36Å
799I80.8Confident85.6Confident138 Ų13854.8 Ų54.871%0.70827%0.271SS*.Hα-helixtrans-62-44172.3-57.4172.8000111.5P797 M803P797-I799 PolarHBondContact O-N 2.93Å; I799-M803 WeakPolarHBondContact O-CG 3.5Å; I799-M803 PolarHBondContact O-N 3.15Å
800L80Confident85.5Confident36 Ų3655.9 Ų55.919%0.18828%0.282CS..Hα-helixtrans-72.1-33.7173.2-63-173.8000111.1P797 M803 L804 I887 V889P797-L800 WeakPolarHBondContact O-CA 3.19Å; P797-L800 PolarHBondContact O-N 3.31Å; L800-M803 PolarHBondContact O-N 3.13Å; L800-L804 WeakPolarHBondContact O-CB 3.28Å; L800-L804 VanDerWaalsContact O-CG 3.31Å; L800-L804 WeakPolarHBondContact O-CG 3.5Å; L800-L804 PolarHBondContact O-N 3.16Å; L800-L804 VanDerWaalsContact O-N 3.11Å; L800-I887 HydrophobicContact CB-CD1 4.37Å; L800-I887 HydrophobicContact CD1-CB 4.1Å; L800-I887 HydrophobicContact CD1-CG2 3.75Å; L800-V889 HydrophobicContact CD1-CG2 3.76Å
801G82.9Confident85.3Confident5 Ų558.7 Ų58.75%0.05229%0.288CS..Hα-helixtrans-53.6-54.6171.100000112.2L795 P797 T798 M803 L804 E805L795-G801 VanDerWaalsContact CB-CA 3.48Å; P797-G801 PolarHBondContact O-N 2.98Å; P797-G801 VanDerWaalsContact O-N 3.12Å; T798-G801 WeakPolarHBondContact O-CA 3.34Å; T798-G801 PolarHBondContact O-N 3.32Å; G801-M803 PolarHBondContact O-N 3.4Å; G801-L804 CarbonylContact O-C 3.48Å; G801-L804 PolarHBondContact O-N 3.02Å; G801-E805 WeakPolarHBondContact O-CB 3.37Å; G801-E805 PolarHBondContact O-N 3.34Å
802R83Confident84.9Confident130 Ų13063.7 Ų63.749%0.49132%0.315SS..Hα-helixtrans-63.8-23.7179.7-69.2-176.9-178.8-176.82.4114.5T798 E805 E838 P866T798-R802 HydrophobicContact CG2-CG 4.48Å; T798-R802 PolarHBondContact O-N 3.11Å; R802-E805 WeakPolarHBondContact CA-OE2 3.47Å; R802-E838 IonicContact NH2-OE1 3.59Å; R802-E838 PolarHBondContact NH2-OE1 3.46Å; R802-P866 PolarHBondContact NE-O 2.98Å; R802-P866 VanDerWaalsContact NE-O 3.08Å; R802-P866 PolarHBondContact NH2-O 3.25Å
803M79.5Confident84.6Confident140 Ų14065 Ų6569%0.6933%0.328SS*.Hα-helixtrans-79.6-23.3171.4-68.9-55.5-51.200113.9I799 L800 G801I799-M803 WeakPolarHBondContact O-CG 3.5Å; I799-M803 PolarHBondContact O-N 3.15Å; L800-M803 PolarHBondContact O-N 3.13Å; G801-M803 PolarHBondContact O-N 3.4Å
804L81.8Confident84.5Confident45 Ų4565.6 Ų65.624%0.23633%0.331CS..Hα-helixtrans-107.9-22.6-173.1-67.1173.1000113.6L795 L800 G801 K806 K807 L808 I887 F905L795-L804 HydrophobicContact CD1-CB 4.02Å; L800-L804 WeakPolarHBondContact O-CB 3.28Å; L800-L804 VanDerWaalsContact O-CG 3.31Å; L800-L804 WeakPolarHBondContact O-CG 3.5Å; L800-L804 PolarHBondContact O-N 3.16Å; L800-L804 VanDerWaalsContact O-N 3.11Å; G801-L804 CarbonylContact O-C 3.48Å; G801-L804 PolarHBondContact O-N 3.02Å; L804-K806 VanDerWaalsContact C-N 3.31Å; L804-K806 PolarHBondContact O-N 2.97Å; L804-K807 CarbonylContact O-C 3.59Å; L804-K807 WeakPolarHBondContact O-CA 3.43Å; L804-K807 WeakPolarHBondContact O-CB 3.31Å; L804-K807 PolarHBondContact O-N 2.74Å; L804-L808 PolarHBondContact O-N 3.42Å; L804-I887 HydrophobicContact CD1-CD1 3.69Å; L804-F905 HydrophobicContact CD2-CZ 4.06Å
805E84.8Confident84.5Confident22 Ų2268.2 Ų68.210%0.10334%0.343CS..Hα-helixtrans-51.7-45-174.572.2-164.6-168.200112.9G801 R802 K807 L808 A809 L816 V864 P866G801-E805 WeakPolarHBondContact O-CB 3.37Å; G801-E805 PolarHBondContact O-N 3.34Å; R802-E805 WeakPolarHBondContact CA-OE2 3.47Å; E805-K807 VanDerWaalsContact C-N 3.28Å; E805-K807 PolarHBondContact O-N 3.01Å; E805-L808 PolarHBondContact O-N 3.08Å; E805-A809 VanDerWaalsContact O-CB 3.25Å; E805-A809 WeakPolarHBondContact O-CB 3.4Å; E805-A809 PolarHBondContact O-N 3.13Å; E805-L816 HydrophobicContact CB-CD1 3.88Å; E805-L816 HydrophobicContact CG-CD1 4.05Å; E805-V864 HydrophobicContact CB-CG1 4.07Å; E805-P866 WeakPolarHBondContact OE2-CB 3.43Å
806K83.6Confident84.7Confident150 Ų15069 Ų6965%0.65235%0.347SS*.Hα-helixtrans-74-18.1-179.3-56.7-171.7-178.5-177.10113.1L804L804-K806 VanDerWaalsContact C-N 3.31Å; L804-K806 PolarHBondContact O-N 2.97Å
807K82.5Confident84.9Confident126 Ų12668 Ų6855%0.54834%0.342SS..Hα-helixtrans-90.4-31.1172.5-71.4-63.1-172.2-177.80112.1L804 E805 S810 W811 F905L804-K807 CarbonylContact O-C 3.59Å; L804-K807 WeakPolarHBondContact O-CA 3.43Å; L804-K807 WeakPolarHBondContact O-CB 3.31Å; L804-K807 PolarHBondContact O-N 2.74Å; E805-K807 VanDerWaalsContact C-N 3.28Å; E805-K807 PolarHBondContact O-N 3.01Å; K807-S810 PolarHBondContact O-OG 3.26Å; K807-W811 PolarHBondContact O-NE1 2.71Å; K807-F905 HydrophobicContact CB-CE1 4.08Å; K807-F905 HydrophobicContact CB-CZ 3.88Å; K807-F905 HydrophobicContact CG-CZ 4.24Å
808L83.1Confident85Confident11 Ų1170.9 Ų70.96%0.05835%0.351CS..Hα-helixtrans-72.9-42.5172.2-174.561.3000111I793 L795 L804 E805 S810 W811 F814 V864I793-L808 HydrophobicContact CG2-CD2 4.49Å; L795-L808 HydrophobicContact CD1-CD2 4.09Å; L795-L808 HydrophobicContact CD2-CD2 4.38Å; L804-L808 PolarHBondContact O-N 3.42Å; E805-L808 PolarHBondContact O-N 3.08Å; L808-S810 PolarHBondContact O-N 2.91Å; L808-W811 WeakPolarHBondContact O-CB 3.42Å; L808-W811 PolarHBondContact O-N 2.78Å; L808-W811 VanDerWaalsContact O-N 3.07Å; L808-F814 HydrophobicContact CD1-CD1 3.91Å; L808-F814 HydrophobicContact CD1-CE1 3.94Å; L808-F814 HydrophobicContact CD1-CG 4.22Å; L808-F814 HydrophobicContact CD1-CZ 4.3Å; L808-F814 HydrophobicContact CD2-CD1 4.36Å; L808-F814 HydrophobicContact CG-CD1 3.93Å; L808-F814 HydrophobicContact CG-CE1 4.39Å; L808-F814 HydrophobicContact CG-CG 4.28Å; L808-F814 WeakPolarHBondContact O-CB 3.32Å; L808-V864 HydrophobicContact CB-CG2 4.46Å; L808-V864 HydrophobicContact CD2-CG1 4.13Å; L808-V864 HydrophobicContact CD2-CG2 3.76Å; L808-V864 HydrophobicContact CG-CG2 3.92Å
809A84.4Confident85.2Confident30 Ų3070.7 Ų70.725%0.24835%0.351CS..THydrogen-bonded Turntrans-69.7-5.9176.300000114.6E805 L816E805-A809 VanDerWaalsContact O-CB 3.25Å; E805-A809 WeakPolarHBondContact O-CB 3.4Å; E805-A809 PolarHBondContact O-N 3.13Å; A809-L816 HydrophobicContact CB-CB 3.75Å
810S82.3Confident85.5Confident85 Ų8565.5 Ų65.559%0.59432%0.323SS*.THydrogen-bonded Turntrans-94.29.8169.983.60000113.1K807 L808K807-S810 PolarHBondContact O-OG 3.26Å; L808-S810 PolarHBondContact O-N 2.91Å
811W83.5Confident85.9Confident93 Ų9368.3 Ų68.335%0.35234%0.342SS..SBendtrans-103146.4176.1-71.435.9000110.1K807 L808 G813 F814 F905 F909K807-W811 PolarHBondContact O-NE1 2.71Å; L808-W811 WeakPolarHBondContact O-CB 3.42Å; L808-W811 PolarHBondContact O-N 2.78Å; L808-W811 VanDerWaalsContact O-N 3.07Å; W811-G813 PolarHBondContact O-N 3.05Å; W811-F814 HydrophobicContact CB-CD2 3.8Å; W811-F814 HydrophobicContact CB-CE2 4.31Å; W811-F814 PolarHBondContact O-N 3.07Å; W811-F905 AromaticContact CZ2-CD1 3.85Å; W811-F905 HydrophobicContact CZ2-CD1 3.85Å; W811-F909 HydrophobicContact CH2-CB 4.43Å; W811-F909 HydrophobicContact CH2-CD2 4.33Å; W811-F909 HydrophobicContact CZ3-CD2 4.12Å
812Q84.1Confident86Confident196 Ų19668.5 Ų68.592%0.91634%0.342SS*.THydrogen-bonded Turntrans-63.3136178.3-171.2170.9-100110.5F814Q812-F814 WeakPolarHBondContact O-CD2 3.3Å
813G86.1Confident86.1Confident28 Ų2865.7 Ų65.729%0.28934%0.339SS..THydrogen-bonded Turntrans93.3-9.9-174.800000114.9W811 L861 H862W811-G813 PolarHBondContact O-N 3.05Å; G813-L861 WeakPolarHBondContact O-CA 3.44Å; G813-H862 PolarHBondContact O-N 3.41Å
814F91.4Very high86.2Confident23 Ų2363.5 Ų63.510%0.10134%0.338CS..EExtended strand (participates in β ladder)trans-116.3149.1-178.4-56.5-94.5000111.4I793 L808 W811 Q812 H862 V864 I912I793-F814 HydrophobicContact CD1-CD1 3.94Å; I793-F814 HydrophobicContact CD1-CE1 3.54Å; L808-F814 HydrophobicContact CD1-CD1 3.91Å; L808-F814 HydrophobicContact CD1-CE1 3.94Å; L808-F814 HydrophobicContact CD1-CG 4.22Å; L808-F814 HydrophobicContact CD1-CZ 4.3Å; L808-F814 HydrophobicContact CD2-CD1 4.36Å; L808-F814 HydrophobicContact CG-CD1 3.93Å; L808-F814 HydrophobicContact CG-CE1 4.39Å; L808-F814 HydrophobicContact CG-CG 4.28Å; L808-F814 WeakPolarHBondContact O-CB 3.32Å; W811-F814 HydrophobicContact CB-CD2 3.8Å; W811-F814 HydrophobicContact CB-CE2 4.31Å; W811-F814 PolarHBondContact O-N 3.07Å; Q812-F814 WeakPolarHBondContact O-CD2 3.3Å; F814-H862 WeakPolarHBondContact CA-O 3.21Å; F814-H862 HydrophobicContact CD1-CB 3.67Å; F814-H862 HydrophobicContact CE1-CB 3.98Å; F814-H862 HydrophobicContact CG-CB 4.41Å; F814-V864 HydrophobicContact CB-CG2 4.25Å; F814-V864 HydrophobicContact CD1-CG2 4.3Å; F814-I912 HydrophobicContact CZ-CG2 4.3Å
815Q92.8Very high86.3Confident55 Ų5565.7 Ų65.726%0.25736%0.356SS..EExtended strand (participates in β ladder)trans-143.5139.9167.2160.7167.11000109.6V856 L861 H862 C863 V864Q815-V856 HydrophobicContact CB-CG1 3.78Å; Q815-V856 HydrophobicContact CG-CG1 4.02Å; Q815-V856 HydrophobicContact CG-CG2 3.95Å; Q815-L861 HydrophobicContact CB-CD1 4.11Å; Q815-H862 PolarHBondContact N-O 2.7Å; Q815-C863 WeakPolarHBondContact O-CA 3.36Å; Q815-V864 PolarHBondContact O-N 2.75Å
816L92.3Very high86.2Confident25 Ų2568.6 Ų68.613%0.13137%0.37CS..EExtended strand (participates in β ladder)trans-65.6137.8170.7-167.862.3000110.8E805 A809 E818 V864E805-L816 HydrophobicContact CB-CD1 3.88Å; E805-L816 HydrophobicContact CG-CD1 4.05Å; A809-L816 HydrophobicContact CB-CB 3.75Å; L816-E818 PolarHBondContact O-N 2.94Å; L816-V864 HydrophobicContact CD1-CB 4.33Å; L816-V864 HydrophobicContact CD1-CG1 4.25Å
817C92.1Very high86.3Confident1 Ų162.9 Ų62.91%0.00735%0.346CS..PPolyproline II helixtrans-71.6122.3166.7-163.80000109.1Y848 S852 C863 V864 L865C817-Y848 HydrophobicContact CB-CD1 4.42Å; C817-Y848 WeakPolarHBondContact O-CE1 3.45Å; C817-S852 PolarHBondContact SG-OG 3.28Å; C817-C863 VanDerWaalsContact CB-SG 3.59Å; C817-V864 WeakPolarHBondContact CB-O 3.49Å; C817-V864 PolarHBondContact N-O 3.35Å; C817-L865 HydrophobicContact CB-CD2 3.85Å
818E88.6Confident86.3Confident113 Ų11359.2 Ų59.253%0.52834%0.339SS..PPolyproline II helixtrans-93.2144.3173.2-59.5-59.4151.100109.8L816 S852L816-E818 PolarHBondContact O-N 2.94Å; E818-S852 PolarHBondContact O-OG 2.95Å
819P89.4Confident86.3Confident33 Ų3360.2 Ų60.221%0.21435%0.348CS..PPolyproline II helixtrans-71.5141.1174.530.1-33.8000111V840 Q846 Y848P819-V840 HydrophobicContact CB-CG2 3.6Å; P819-V840 HydrophobicContact CG-CG2 4.07Å; P819-Q846 HydrophobicContact CB-CB 4.46Å; P819-Y848 HydrophobicContact CB-CD1 4.24Å; P819-Y848 HydrophobicContact CB-CE1 3.98Å; P819-Y848 HydrophobicContact CB-CE2 4.36Å; P819-Y848 HydrophobicContact CG-CE1 4.33Å
820E88.4Confident86.3Confident29 Ų2960.3 Ų60.314%0.13634%0.342CS..EExtended strand (participates in β ladder)trans-86.5135.1172.5-73.9177.4165.700109.6L822 R830 Q846 C847 T849E820-L822 HydrophobicContact CB-CD2 4.19Å; E820-R830 IonicContact OE2-CZ 3.05Å; E820-R830 IonicContact OE2-NH1 2.71Å; E820-R830 PolarHBondContact OE2-NH1 3.4Å; E820-R830 IonicContact OE2-NH2 3.65Å; E820-Q846 WeakPolarHBondContact O-CA 3.39Å; E820-C847 PolarHBondContact N-O 2.98Å; E820-C847 PolarHBondContact O-N 3.42Å; E820-T849 HydrophobicContact CB-CG2 4.22Å; E820-T849 VanDerWaalsContact CD-OG1 3.31Å; E820-T849 WeakPolarHBondContact OE2-CG2 3.42Å; E820-T849 PolarHBondContact OE2-OG1 3.48Å
821T87.2Confident86.3Confident94 Ų9460.3 Ų60.358%0.57734%0.335SS*.EExtended strand (participates in β ladder)trans-88112.2169.2-55.40000107.9N845 Q846T821-N845 CarbonylContact C-O 3.54Å; T821-N845 WeakPolarHBondContact CA-O 3.37Å; T821-N845 HydrophobicContact CG2-CB 4.19Å; T821-Q846 HydrophobicContact CG2-CG 4.47Å; T821-Q846 WeakPolarHBondContact OG1-CG 3.42Å; T821-Q846 PolarHBondContact OG1-NE2 2.93Å
822L84.8Confident86.2Confident9 Ų964 Ų645%0.04736%0.357CS..  trans-104.9152.1-179.1-59.1-176.2000110.8E820 E826 H827 R830 N845 T849E820-L822 HydrophobicContact CB-CD2 4.19Å; L822-E826 HydrophobicContact CB-CB 4.19Å; L822-H827 HydrophobicContact CB-CB 4.35Å; L822-R830 HydrophobicContact CD1-CG 4.42Å; L822-N845 PolarHBondContact N-O 2.94Å; L822-N845 WeakPolarHBondContact O-CB 3.46Å; L822-T849 HydrophobicContact CD1-CG2 4.24Å
823T85.9Confident86.1Confident71 Ų7162.6 Ų62.644%0.43634%0.343SS..  trans-71.7158.3163.8630000110.8S825 E826 H827T823-S825 VanDerWaalsContact C-N 3.26Å; T823-S825 PolarHBondContact O-N 3.29Å; T823-S825 PolarHBondContact OG1-OG 3.04Å; T823-E826 WeakPolarHBondContact CB-OE2 3.3Å; T823-E826 WeakPolarHBondContact CG2-OE2 3.34Å; T823-E826 PolarHBondContact N-OE2 2.97Å; T823-E826 PolarHBondContact O-N 3.06Å; T823-E826 VanDerWaalsContact O-N 3.12Å; T823-E826 VanDerWaalsContact OG1-CD 3.29Å; T823-E826 VanDerWaalsContact OG1-CG 3.26Å; T823-E826 WeakPolarHBondContact OG1-CG 3.27Å; T823-E826 PolarHBondContact OG1-OE2 3.19Å; T823-H827 PolarHBondContact O-N 3.1Å
824S82Confident85.8Confident95 Ų9563.4 Ų63.466%0.66434%0.344SS*.Hα-helixtrans-58.7-36-177-175.60000113.2A828S824-A828 WeakPolarHBondContact O-CB 3.4Å; S824-A828 PolarHBondContact O-N 3.06Å
825S82.3Confident85.5Confident90 Ų9065 Ų6563%0.62935%0.352SS*.Hα-helixtrans-68.3-42.9174.643.50000112.8T823 A829T823-S825 VanDerWaalsContact C-N 3.26Å; T823-S825 PolarHBondContact O-N 3.29Å; T823-S825 PolarHBondContact OG1-OG 3.04Å; S825-A829 WeakPolarHBondContact O-CB 3.45Å; S825-A829 PolarHBondContact O-N 3.11Å
826E84.5Confident85.3Confident83 Ų8362.7 Ų62.739%0.38834%0.342SS..Hα-helixtrans-64.4-43173.9-70.4169.9117.700111.6L822 T823 A828 A829 R830L822-E826 HydrophobicContact CB-CB 4.19Å; T823-E826 WeakPolarHBondContact CB-OE2 3.3Å; T823-E826 WeakPolarHBondContact CG2-OE2 3.34Å; T823-E826 PolarHBondContact N-OE2 2.97Å; T823-E826 PolarHBondContact O-N 3.06Å; T823-E826 VanDerWaalsContact O-N 3.12Å; T823-E826 VanDerWaalsContact OG1-CD 3.29Å; T823-E826 VanDerWaalsContact OG1-CG 3.26Å; T823-E826 WeakPolarHBondContact OG1-CG 3.27Å; T823-E826 PolarHBondContact OG1-OE2 3.19Å; E826-A828 PolarHBondContact O-N 3.34Å; E826-A829 PolarHBondContact O-N 3.27Å; E826-R830 WeakPolarHBondContact O-CB 3.37Å; E826-R830 WeakPolarHBondContact O-CG 3.5Å; E826-R830 PolarHBondContact O-N 2.59Å
827H84.1Confident85.1Confident31 Ų3161.6 Ų61.614%0.14434%0.336CS..Hα-helixtrans-59-47.9177.5-170.7-107.5000111.1L822 T823 A829 R830 L831 E839L822-H827 HydrophobicContact CB-CB 4.35Å; T823-H827 PolarHBondContact O-N 3.1Å; H827-A829 PolarHBondContact O-N 2.65Å; H827-R830 PolarHBondContact O-N 3.44Å; H827-L831 WeakPolarHBondContact O-CB 3.43Å; H827-L831 PolarHBondContact O-N 2.91Å; H827-E839 IonicContact CE1-OE1 3.17Å; H827-E839 PolarHBondContact CE1-OE1 2.66Å; H827-E839 IonicContact NE2-OE1 2.81Å
828A82.7Confident84.8Confident49 Ų4964 Ų6441%0.40535%0.347SS..Hα-helixtrans-59.5-43.7175.500000112.6S824 E826 L831 Q832S824-A828 WeakPolarHBondContact O-CB 3.4Å; S824-A828 PolarHBondContact O-N 3.06Å; E826-A828 PolarHBondContact O-N 3.34Å; A828-L831 PolarHBondContact O-N 3.39Å; A828-Q832 WeakPolarHBondContact O-CG 3.42Å; A828-Q832 PolarHBondContact O-N 3.1Å
829A84.3Confident84.7Confident31 Ų3162 Ų6226%0.25634%0.338SS..Hα-helixtrans-66.5-43.9179.100000112.9S825 E826 H827 Q832 R833S825-A829 WeakPolarHBondContact O-CB 3.45Å; S825-A829 PolarHBondContact O-N 3.11Å; E826-A829 PolarHBondContact O-N 3.27Å; H827-A829 PolarHBondContact O-N 2.65Å; A829-Q832 PolarHBondContact O-N 3.13Å; A829-R833 WeakPolarHBondContact O-CG 3.37Å; A829-R833 PolarHBondContact O-N 2.93Å
830R82.9Confident84.3Confident32 Ų3263.5 Ų63.512%0.12135%0.346CS..Hα-helixtrans-69.3-33.6176.9-65.8-156.9-165.5-172.6-0.7112.2E820 L822 E826 H827 R833 S834 E835 V836E820-R830 IonicContact OE2-CZ 3.05Å; E820-R830 IonicContact OE2-NH1 2.71Å; E820-R830 PolarHBondContact OE2-NH1 3.4Å; E820-R830 IonicContact OE2-NH2 3.65Å; L822-R830 HydrophobicContact CD1-CG 4.42Å; E826-R830 WeakPolarHBondContact O-CB 3.37Å; E826-R830 WeakPolarHBondContact O-CG 3.5Å; E826-R830 PolarHBondContact O-N 2.59Å; H827-R830 PolarHBondContact O-N 3.44Å; R830-R833 CarbonylContact O-C 3.51Å; R830-R833 PolarHBondContact O-N 3.35Å; R830-S834 PolarHBondContact O-N 3.47Å; R830-S834 VanDerWaalsContact O-N 3.14Å; R830-E835 HydrophobicContact CB-CB 4.14Å; R830-E835 VanDerWaalsContact CG-OE2 3.28Å; R830-E835 WeakPolarHBondContact CG-OE2 3.46Å; R830-E835 PolarHBondContact O-N 2.94Å; R830-V836 HydrophobicContact CB-CG2 3.9Å
831L83Confident83.7Confident85 Ų8569 Ų6945%0.44537%0.372SS..Hα-helixtrans-65.3-42.5174.5-174.763.6000111.5H827 A828 R833 S834H827-L831 WeakPolarHBondContact O-CB 3.43Å; H827-L831 PolarHBondContact O-N 2.91Å; A828-L831 PolarHBondContact O-N 3.39Å; L831-R833 VanDerWaalsContact C-N 3.3Å; L831-R833 PolarHBondContact O-N 2.89Å; L831-S834 PolarHBondContact O-N 3.4Å
832Q82.3Confident82.8Confident172 Ų17270.7 Ų70.780%0.80438%0.384SS*.Hα-helixtrans-59.4-39.7172.3-75.5-175.8-2.500112.3A828 A829 S834A828-Q832 WeakPolarHBondContact O-CG 3.42Å; A828-Q832 PolarHBondContact O-N 3.1Å; A829-Q832 PolarHBondContact O-N 3.13Å; Q832-S834 PolarHBondContact O-N 3.44Å
833R81.9Confident81.7Confident165 Ų16573.6 Ų73.662%0.62342%0.417SS*.THydrogen-bonded Turntrans-75.7-1175.2-63.8-179.8-166.3124.34.1114.5A829 R830 L831 E835A829-R833 WeakPolarHBondContact O-CG 3.37Å; A829-R833 PolarHBondContact O-N 2.93Å; R830-R833 CarbonylContact O-C 3.51Å; R830-R833 PolarHBondContact O-N 3.35Å; L831-R833 VanDerWaalsContact C-N 3.3Å; L831-R833 PolarHBondContact O-N 2.89Å; R833-E835 HydrophobicContact CB-CG 3.74Å; R833-E835 WeakPolarHBondContact CB-OE1 3.33Å; R833-E835 WeakPolarHBondContact CD-OE1 3.27Å; R833-E835 PolarHBondContact O-N 3.25Å
834S79.5Confident81Confident46 Ų4671.4 Ų71.432%0.32241%0.408SS..THydrogen-bonded Turntrans60.622.9-173.3-60.70000115.3R830 L831 Q832 R877R830-S834 PolarHBondContact O-N 3.47Å; R830-S834 VanDerWaalsContact O-N 3.14Å; L831-S834 PolarHBondContact O-N 3.4Å; Q832-S834 PolarHBondContact O-N 3.44Å; S834-R877 PolarHBondContact OG-NH1 2.85Å
835E85.4Confident80.8Confident57 Ų5771.3 Ų71.327%0.26640%0.4SS..  trans-81.4-14-176-67.2165.6-173.800114R830 R833 T849 L850R830-E835 HydrophobicContact CB-CB 4.14Å; R830-E835 VanDerWaalsContact CG-OE2 3.28Å; R830-E835 WeakPolarHBondContact CG-OE2 3.46Å; R830-E835 PolarHBondContact O-N 2.94Å; R833-E835 HydrophobicContact CB-CG 3.74Å; R833-E835 WeakPolarHBondContact CB-OE1 3.33Å; R833-E835 WeakPolarHBondContact CD-OE1 3.27Å; R833-E835 PolarHBondContact O-N 3.25Å; E835-T849 WeakPolarHBondContact O-CA 3.44Å; E835-L850 HydrophobicContact CB-CD1 4.33Å; E835-L850 HydrophobicContact CG-CD1 4.27Å; E835-L850 PolarHBondContact O-N 3.31Å
836V88.2Confident81Confident6 Ų671.3 Ų71.34%0.03639%0.39CS..EExtended strand (participates in β ladder)trans-85.1121.1179.3-178.60000110.2R830 C847 R874R830-V836 HydrophobicContact CB-CG2 3.9Å; V836-C847 HydrophobicContact CG1-CB 3.78Å; V836-R874 WeakPolarHBondContact O-CD 3.36Å; V836-R874 PolarHBondContact O-NE 3.11Å
837L86.9Confident81.2Confident1 Ų167.3 Ų67.31%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-85.8-46.7-175.3-63.7-179.6000113.5Y848 L850 V853 L867 C871 R874 L875L837-Y848 WeakPolarHBondContact CB-O 3.47Å; L837-Y848 PolarHBondContact N-O 3.34Å; L837-L850 HydrophobicContact CD2-CD2 3.83Å; L837-L850 HydrophobicContact CD2-CG 4.29Å; L837-L850 HydrophobicContact CG-CD2 4.48Å; L837-V853 HydrophobicContact CD1-CG2 3.6Å; L837-L867 HydrophobicContact CB-CD1 4.03Å; L837-L867 HydrophobicContact CD1-CD1 4.34Å; L837-C871 HydrophobicContact CB-CB 4.17Å; L837-C871 HydrophobicContact CD2-CB 4.32Å; L837-R874 HydrophobicContact CD2-CB 3.66Å; L837-R874 PolarHBondContact O-NH1 2.86Å; L837-L875 HydrophobicContact CD1-CD2 4.04Å; L837-L875 HydrophobicContact CD2-CD2 4.23Å; L837-L875 HydrophobicContact CD2-CG 4.12Å
838E87.7Confident81.5Confident53 Ų5367.4 Ų67.425%0.24837%0.371CS..EExtended strand (participates in β ladder)trans-159.8135.3178.5-157170.912600108.3R802 C847 Y848 L867 G868R802-E838 IonicContact NH2-OE1 3.59Å; R802-E838 PolarHBondContact NH2-OE1 3.46Å; E838-C847 WeakPolarHBondContact O-CA 3.37Å; E838-C847 WeakPolarHBondContact O-CB 3.45Å; E838-Y848 HydrophobicContact CB-CD2 4.3Å; E838-Y848 PolarHBondContact O-N 2.92Å; E838-L867 HydrophobicContact CB-CD1 4.49Å; E838-L867 HydrophobicContact CB-CD2 3.87Å; E838-L867 HydrophobicContact CG-CD2 4.42Å; E838-L867 WeakPolarHBondContact OE2-CA 3.07Å; E838-L867 WeakPolarHBondContact OE2-CB 3.49Å; E838-G868 PolarHBondContact OE2-N 3.18Å; E838-G868 VanDerWaalsContact OE2-N 3.07Å
839E85.2Confident82Confident71 Ų7165.1 Ų65.133%0.33235%0.352SS..EExtended strand (participates in β ladder)trans-79.6138.2169.3-71.9171.6-144.300108.9H827 G843 C847H827-E839 IonicContact CE1-OE1 3.17Å; H827-E839 PolarHBondContact CE1-OE1 2.66Å; H827-E839 IonicContact NE2-OE1 2.81Å; E839-G843 PolarHBondContact OE2-N 3.43Å; E839-C847 HydrophobicContact CG-CB 4.4Å
840V81.7Confident82.3Confident64 Ų6464.2 Ų64.239%0.38834%0.343SS..SBendtrans-71.7-42.9-178.8179.80000110.9P819 Q846 Y848P819-V840 HydrophobicContact CB-CG2 3.6Å; P819-V840 HydrophobicContact CG-CG2 4.07Å; V840-Q846 HydrophobicContact CB-CB 4.13Å; V840-Q846 WeakPolarHBondContact CB-O 3.49Å; V840-Q846 HydrophobicContact CG2-CB 3.96Å; V840-Q846 WeakPolarHBondContact CG2-O 3.26Å; V840-Q846 PolarHBondContact N-O 3.45Å; V840-Y848 HydrophobicContact CG2-CD2 4.22Å; V840-Y848 HydrophobicContact CG2-CE2 3.7Å
841E75.8Confident82.6Confident143 Ų14367.6 Ų67.667%0.66836%0.36SS*.SBendtrans-132.4140169.1-63.7-16714700108.3G843 G844E841-G843 PolarHBondContact O-N 3.01Å; E841-G843 VanDerWaalsContact O-N 3.13Å; E841-G844 PolarHBondContact O-N 3.24Å
842P67.8Low83Confident130 Ų13063.9 Ų63.984%0.84434%0.341SS*.THydrogen-bonded Turntrans-65.3114.6-174.326.1-34.2000111.2
843G62.5Low83.5Confident71 Ų7155.7 Ų55.773%0.73230%0.303SS*.THydrogen-bonded Turntrans82.78-173.800000115.3E839 E841E839-G843 PolarHBondContact OE2-N 3.43Å; E841-G843 PolarHBondContact O-N 3.01Å; E841-G843 VanDerWaalsContact O-N 3.13Å
844G70.4Confident83.9Confident24 Ų2451 Ų5125%0.24729%0.288CS..  trans-81.9154.5168.800000112.4E841 Q846E841-G844 PolarHBondContact O-N 3.24Å; G844-Q846 PolarHBondContact O-N 3.15Å; G844-Q846 VanDerWaalsContact O-N 3.15Å
845N77.9Confident84.5Confident93 Ų9355.3 Ų55.350%0.49730%0.301SS..SBendtrans-72.1-1178.8-73.8-3.8000114.3T821 L822T821-N845 CarbonylContact C-O 3.54Å; T821-N845 WeakPolarHBondContact CA-O 3.37Å; T821-N845 HydrophobicContact CG2-CB 4.19Å; L822-N845 PolarHBondContact N-O 2.94Å; L822-N845 WeakPolarHBondContact O-CB 3.46Å
846Q86.6Confident84.8Confident90 Ų9052.9 Ų52.942%0.42129%0.29SS..EExtended strand (participates in β ladder)trans-104.9123-176.8-72.3-172-7.300111.7P819 E820 T821 V840 G844P819-Q846 HydrophobicContact CB-CB 4.46Å; E820-Q846 WeakPolarHBondContact O-CA 3.39Å; T821-Q846 HydrophobicContact CG2-CG 4.47Å; T821-Q846 WeakPolarHBondContact OG1-CG 3.42Å; T821-Q846 PolarHBondContact OG1-NE2 2.93Å; V840-Q846 HydrophobicContact CB-CB 4.13Å; V840-Q846 WeakPolarHBondContact CB-O 3.49Å; V840-Q846 HydrophobicContact CG2-CB 3.96Å; V840-Q846 WeakPolarHBondContact CG2-O 3.26Å; V840-Q846 PolarHBondContact N-O 3.45Å; G844-Q846 PolarHBondContact O-N 3.15Å; G844-Q846 VanDerWaalsContact O-N 3.15Å
847C89Confident84.9Confident0 Ų053.6 Ų53.60%029%0.293CS..EExtended strand (participates in β ladder)trans-145.8153.3177.869.90000112.1E820 V836 E838 E839E820-C847 PolarHBondContact N-O 2.98Å; E820-C847 PolarHBondContact O-N 3.42Å; V836-C847 HydrophobicContact CG1-CB 3.78Å; E838-C847 WeakPolarHBondContact O-CA 3.37Å; E838-C847 WeakPolarHBondContact O-CB 3.45Å; E839-C847 HydrophobicContact CG-CB 4.4Å
848Y91Very high85.1Confident32 Ų3261 Ų6113%0.12533%0.325CS..EExtended strand (participates in β ladder)trans-81.1135169.1-60.8-85000109.2C817 P819 L837 E838 V840 P866 L867C817-Y848 HydrophobicContact CB-CD1 4.42Å; C817-Y848 WeakPolarHBondContact O-CE1 3.45Å; P819-Y848 HydrophobicContact CB-CD1 4.24Å; P819-Y848 HydrophobicContact CB-CE1 3.98Å; P819-Y848 HydrophobicContact CB-CE2 4.36Å; P819-Y848 HydrophobicContact CG-CE1 4.33Å; L837-Y848 WeakPolarHBondContact CB-O 3.47Å; L837-Y848 PolarHBondContact N-O 3.34Å; E838-Y848 HydrophobicContact CB-CD2 4.3Å; E838-Y848 PolarHBondContact O-N 2.92Å; V840-Y848 HydrophobicContact CG2-CD2 4.22Å; V840-Y848 HydrophobicContact CG2-CE2 3.7Å; Y848-P866 HydrophobicContact CD1-CG 4.4Å; Y848-P866 HydrophobicContact CE1-CG 3.61Å; Y848-P866 HydrophobicContact CE2-CG 4.17Å; Y848-P866 VanDerWaalsContact CZ-CG 3.47Å; Y848-P866 WeakPolarHBondContact OH-CG 3.44Å; Y848-L867 HydrophobicContact CD1-CD2 4.42Å; Y848-L867 HydrophobicContact CD2-CD2 3.47Å; Y848-L867 VanDerWaalsContact CD2-CD2 3.47Å; Y848-L867 HydrophobicContact CE2-CD2 3.77Å; Y848-L867 HydrophobicContact CG-CD1 4.46Å; Y848-L867 HydrophobicContact CG-CD2 3.82Å
849T91.8Very high85.2Confident1 Ų164.2 Ų64.21%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-125.4159.6-173.870.80000110.4E820 L822 E835 Q851 S852 V853E820-T849 HydrophobicContact CB-CG2 4.22Å; E820-T849 VanDerWaalsContact CD-OG1 3.31Å; E820-T849 WeakPolarHBondContact OE2-CG2 3.42Å; E820-T849 PolarHBondContact OE2-OG1 3.48Å; L822-T849 HydrophobicContact CD1-CG2 4.24Å; E835-T849 WeakPolarHBondContact O-CA 3.44Å; T849-Q851 PolarHBondContact O-N 2.95Å; T849-Q851 PolarHBondContact OG1-N 2.94Å; T849-S852 PolarHBondContact N-OG 3.23Å; T849-S852 PolarHBondContact O-N 3.4Å; T849-S852 PolarHBondContact O-OG 3.23Å; T849-S852 PolarHBondContact OG1-N 2.93Å; T849-V853 WeakPolarHBondContact O-CG2 3.32Å; T849-V853 PolarHBondContact O-N 3.48Å
850L90.9Very high85.4Confident13 Ų1362.9 Ų62.97%0.06834%0.343CS..Hα-helixtrans-56.3-36.9168.7-69.3173.4000111.7E835 L837 S852 V853 E854 L875 S878 I880E835-L850 HydrophobicContact CB-CD1 4.33Å; E835-L850 HydrophobicContact CG-CD1 4.27Å; E835-L850 PolarHBondContact O-N 3.31Å; L837-L850 HydrophobicContact CD2-CD2 3.83Å; L837-L850 HydrophobicContact CD2-CG 4.29Å; L837-L850 HydrophobicContact CG-CD2 4.48Å; L850-S852 PolarHBondContact O-N 3.14Å; L850-V853 PolarHBondContact O-N 3.16Å; L850-E854 WeakPolarHBondContact O-CG 3.37Å; L850-E854 PolarHBondContact O-N 3.48Å; L850-L875 HydrophobicContact CD2-CD2 3.86Å; L850-S878 WeakPolarHBondContact CD1-OG 3.47Å; L850-I880 HydrophobicContact CD2-CD1 4.4Å
851Q89.8Confident85.9Confident102 Ų10261.9 Ų61.948%0.47734%0.336SS..Hα-helixtrans-63.3-41179.2-170.9174.14000112.5T849 V853 E854 K855T849-Q851 PolarHBondContact O-N 2.95Å; T849-Q851 PolarHBondContact OG1-N 2.94Å; Q851-V853 VanDerWaalsContact C-N 3.31Å; Q851-V853 PolarHBondContact O-N 2.98Å; Q851-E854 PolarHBondContact O-N 3.24Å; Q851-K855 WeakPolarHBondContact O-CB 3.44Å; Q851-K855 PolarHBondContact O-N 2.91Å
852S91.3Very high86.6Confident8 Ų856.6 Ų56.66%0.05631%0.311CS..Hα-helixtrans-68.6-32.7178.374.80000112.1C817 E818 T849 L850C817-S852 PolarHBondContact SG-OG 3.28Å; E818-S852 PolarHBondContact O-OG 2.95Å; T849-S852 PolarHBondContact N-OG 3.23Å; T849-S852 PolarHBondContact O-N 3.4Å; T849-S852 PolarHBondContact O-OG 3.23Å; T849-S852 PolarHBondContact OG1-N 2.93Å; L850-S852 PolarHBondContact O-N 3.14Å
853V92.8Very high87.9Confident0 Ų050.4 Ų50.40%027%0.271CS..Hα-helixtrans-67.8-50.8172.4-177.40000111.5P792 L837 T849 L850 Q851 K855 V856 M857 C863 L865 L875P792-V853 HydrophobicContact CB-CG1 4.07Å; P792-V853 HydrophobicContact CG-CG1 3.42Å; P792-V853 VanDerWaalsContact CG-CG1 3.42Å; L837-V853 HydrophobicContact CD1-CG2 3.6Å; T849-V853 WeakPolarHBondContact O-CG2 3.32Å; T849-V853 PolarHBondContact O-N 3.48Å; L850-V853 PolarHBondContact O-N 3.16Å; Q851-V853 VanDerWaalsContact C-N 3.31Å; Q851-V853 PolarHBondContact O-N 2.98Å; V853-K855 VanDerWaalsContact C-N 3.27Å; V853-K855 PolarHBondContact O-N 3.22Å; V853-V856 PolarHBondContact O-N 2.8Å; V853-V856 VanDerWaalsContact O-N 3.09Å; V853-M857 HydrophobicContact CG1-CG 4.44Å; V853-M857 HydrophobicContact CG1-SD 3.93Å; V853-M857 WeakPolarHBondContact O-CG 3.48Å; V853-M857 PolarHBondContact O-N 3.03Å; V853-C863 HydrophobicContact CG1-CB 4.25Å; V853-L865 HydrophobicContact CG1-CD2 4.45Å; V853-L865 HydrophobicContact CG2-CD2 3.6Å; V853-L875 HydrophobicContact CG1-CD2 4.39Å
854E90.9Very high89.3Confident67 Ų6747.1 Ų47.131%0.31324%0.236SC..Hα-helixtrans-57.7-39176.3-78.3-176.2-153.600112.6L850 Q851 V856 M857 K858 I880L850-E854 WeakPolarHBondContact O-CG 3.37Å; L850-E854 PolarHBondContact O-N 3.48Å; Q851-E854 PolarHBondContact O-N 3.24Å; E854-V856 PolarHBondContact O-N 3.27Å; E854-M857 PolarHBondContact O-N 2.82Å; E854-K858 HydrophobicContact CB-CD 4.34Å; E854-K858 VanDerWaalsContact O-CB 3.28Å; E854-K858 WeakPolarHBondContact O-CB 3.28Å; E854-K858 VanDerWaalsContact O-CG 3.25Å; E854-K858 WeakPolarHBondContact O-CG 3.46Å; E854-K858 PolarHBondContact O-N 3.28Å; E854-K858 WeakPolarHBondContact OE2-CE 3.09Å; E854-K858 IonicContact OE2-NZ 2.72Å; E854-K858 PolarHBondContact OE2-NZ 3.49Å; E854-I880 HydrophobicContact CG-CD1 4.2Å
855K91.1Very high90.4Very high136 Ų13646.2 Ų46.259%0.59123%0.226SC*.Hα-helixtrans-61.6-22.2178.5-176.7178.9-178.2179.60113.2Q851 V853 K859Q851-K855 WeakPolarHBondContact O-CB 3.44Å; Q851-K855 PolarHBondContact O-N 2.91Å; V853-K855 VanDerWaalsContact C-N 3.27Å; V853-K855 PolarHBondContact O-N 3.22Å; K855-K859 WeakPolarHBondContact O-CE 3.4Å
856V91.4Very high90.9Very high5 Ų542.1 Ų42.13%0.0320%0.204CC..Hα-helixtrans-89.2-45.9170.3-1800000110.9Q815 V853 E854 K858 K859 L861 C863Q815-V856 HydrophobicContact CB-CG1 3.78Å; Q815-V856 HydrophobicContact CG-CG1 4.02Å; Q815-V856 HydrophobicContact CG-CG2 3.95Å; V853-V856 PolarHBondContact O-N 2.8Å; V853-V856 VanDerWaalsContact O-N 3.09Å; E854-V856 PolarHBondContact O-N 3.27Å; V856-K858 VanDerWaalsContact C-N 3.28Å; V856-K858 PolarHBondContact O-N 2.86Å; V856-K859 WeakPolarHBondContact O-CB 3.34Å; V856-K859 PolarHBondContact O-N 2.92Å; V856-L861 HydrophobicContact CG1-CB 3.98Å; V856-C863 HydrophobicContact CB-CB 3.81Å; V856-C863 HydrophobicContact CG1-CB 3.73Å
857M91.1Very high91.1Very high21 Ų2137.9 Ų37.910%0.10318%0.184CC..Hα-helixtrans-57.9-39.4178.9-64.7174.561.500112.6V789 C790 P792 V853 E854 K859 G860 I880V789-M857 HydrophobicContact CG2-CB 4.44Å; V789-M857 HydrophobicContact CG2-CE 3.71Å; C790-M857 WeakPolarHBondContact O-CG 3.39Å; P792-M857 HydrophobicContact CG-CG 4.25Å; P792-M857 HydrophobicContact CG-SD 3.61Å; V853-M857 HydrophobicContact CG1-CG 4.44Å; V853-M857 HydrophobicContact CG1-SD 3.93Å; V853-M857 WeakPolarHBondContact O-CG 3.48Å; V853-M857 PolarHBondContact O-N 3.03Å; E854-M857 PolarHBondContact O-N 2.82Å; M857-K859 PolarHBondContact O-N 3.22Å; M857-K859 VanDerWaalsContact O-N 3.14Å; M857-G860 PolarHBondContact O-N 3.33Å; M857-I880 HydrophobicContact CE-CG1 4.47Å; M857-I880 HydrophobicContact CE-CG2 4.23Å; M857-I880 HydrophobicContact SD-CD1 4.19Å; M857-I880 HydrophobicContact SD-CG1 4.42Å; M857-I880 HydrophobicContact SD-CG2 3.97Å
858K90.9Very high91Very high157 Ų15738.5 Ų38.568%0.68319%0.191SC*.THydrogen-bonded Turntrans-65.2-10.6177.3-74165.8176.5167.80114.1E854 V856E854-K858 HydrophobicContact CB-CD 4.34Å; E854-K858 VanDerWaalsContact O-CB 3.28Å; E854-K858 WeakPolarHBondContact O-CB 3.28Å; E854-K858 VanDerWaalsContact O-CG 3.25Å; E854-K858 WeakPolarHBondContact O-CG 3.46Å; E854-K858 PolarHBondContact O-N 3.28Å; E854-K858 WeakPolarHBondContact OE2-CE 3.09Å; E854-K858 IonicContact OE2-NZ 2.72Å; E854-K858 PolarHBondContact OE2-NZ 3.49Å; V856-K858 VanDerWaalsContact C-N 3.28Å; V856-K858 PolarHBondContact O-N 2.86Å
859K90.5Very high90.9Very high121 Ų12141.4 Ų41.453%0.52621%0.209SC..THydrogen-bonded Turntrans-89.2-4.6170.5-56.6177.7-177.5-177.30113.5K855 V856 M857 L861K855-K859 WeakPolarHBondContact O-CE 3.4Å; V856-K859 WeakPolarHBondContact O-CB 3.34Å; V856-K859 PolarHBondContact O-N 2.92Å; M857-K859 PolarHBondContact O-N 3.22Å; M857-K859 VanDerWaalsContact O-N 3.14Å; K859-L861 HydrophobicContact CB-CD1 4.09Å; K859-L861 HydrophobicContact CB-CG 4.02Å; K859-L861 HydrophobicContact CD-CD1 4.06Å
860G88.6Confident90.7Very high42 Ų4246.9 Ų46.943%0.43324%0.238SC..THydrogen-bonded Turntrans70.834.1-167.900000113C790 M857C790-G860 PolarHBondContact SG-O 2.98Å; C790-G860 VanDerWaalsContact SG-O 3.41Å; M857-G860 PolarHBondContact O-N 3.33Å
861L91.1Very high90.6Very high44 Ų4446.2 Ų46.223%0.2323%0.234CC..  trans-120.7146.3178.9-61.6177.9000111.5C790 G813 Q815 V856 K859 C863C790-L861 WeakPolarHBondContact CB-O 3.34Å; G813-L861 WeakPolarHBondContact O-CA 3.44Å; Q815-L861 HydrophobicContact CB-CD1 4.11Å; V856-L861 HydrophobicContact CG1-CB 3.98Å; K859-L861 HydrophobicContact CB-CD1 4.09Å; K859-L861 HydrophobicContact CB-CG 4.02Å; K859-L861 HydrophobicContact CD-CD1 4.06Å; L861-C863 PolarHBondContact O-N 3.27Å
862H92.3Very high90.6Very high32 Ų3242.1 Ų42.115%0.14822%0.216CC..EExtended strand (participates in β ladder)trans-72.4114.4172.3-77.3-78.1000110.8R791 I793 G813 F814 Q815 V864R791-H862 PolarHBondContact O-ND1 3.38Å; I793-H862 HydrophobicContact CD1-CB 3.78Å; I793-H862 HydrophobicContact CG1-CB 4.27Å; G813-H862 PolarHBondContact O-N 3.41Å; F814-H862 WeakPolarHBondContact CA-O 3.21Å; F814-H862 HydrophobicContact CD1-CB 3.67Å; F814-H862 HydrophobicContact CE1-CB 3.98Å; F814-H862 HydrophobicContact CG-CB 4.41Å; Q815-H862 PolarHBondContact N-O 2.7Å; H862-V864 PolarHBondContact O-N 2.91Å
863C93.6Very high90.3Very high0 Ų051.2 Ų51.20%025%0.249CC..EExtended strand (participates in β ladder)trans-77.3106.7178.1-170.60000110.9P792 I793 Q815 C817 V853 V856 L861 L865P792-C863 CarbonylContact C-O 3.48Å; P792-C863 WeakPolarHBondContact CA-O 3.45Å; P792-C863 HydrophobicContact CB-CB 4.14Å; P792-C863 HydrophobicContact CG-CB 4.4Å; I793-C863 PolarHBondContact N-O 2.99Å; Q815-C863 WeakPolarHBondContact O-CA 3.36Å; C817-C863 VanDerWaalsContact CB-SG 3.59Å; V853-C863 HydrophobicContact CG1-CB 4.25Å; V856-C863 HydrophobicContact CB-CB 3.81Å; V856-C863 HydrophobicContact CG1-CB 3.73Å; L861-C863 PolarHBondContact O-N 3.27Å; C863-L865 PolarHBondContact O-N 3.45Å
864V93.1Very high90.1Very high1 Ų155.3 Ų55.31%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-78.2118.6177-177.40000108.8E805 L808 F814 Q815 L816 C817 H862E805-V864 HydrophobicContact CB-CG1 4.07Å; L808-V864 HydrophobicContact CB-CG2 4.46Å; L808-V864 HydrophobicContact CD2-CG1 4.13Å; L808-V864 HydrophobicContact CD2-CG2 3.76Å; L808-V864 HydrophobicContact CG-CG2 3.92Å; F814-V864 HydrophobicContact CB-CG2 4.25Å; F814-V864 HydrophobicContact CD1-CG2 4.3Å; Q815-V864 PolarHBondContact O-N 2.75Å; L816-V864 HydrophobicContact CD1-CB 4.33Å; L816-V864 HydrophobicContact CD1-CG1 4.25Å; C817-V864 WeakPolarHBondContact CB-O 3.49Å; C817-V864 PolarHBondContact N-O 3.35Å; H862-V864 PolarHBondContact O-N 2.91Å
865L92.2Very high90Very high5 Ų552.1 Ų52.13%0.02625%0.25CC..EExtended strand (participates in β ladder)trans-100.8119.7-175.4-64.3178.4000111.2P792 I793 L794 C817 V853 C863 L867 L875P792-L865 HydrophobicContact CB-CD1 3.65Å; P792-L865 HydrophobicContact CB-CG 4.02Å; I793-L865 PolarHBondContact O-N 2.95Å; L794-L865 HydrophobicContact CD2-CB 3.55Å; L794-L865 HydrophobicContact CD2-CD1 4.07Å; L794-L865 HydrophobicContact CD2-CG 4.46Å; L794-L865 HydrophobicContact CG-CB 4.14Å; L794-L865 HydrophobicContact CG-CD1 4.06Å; C817-L865 HydrophobicContact CB-CD2 3.85Å; V853-L865 HydrophobicContact CG1-CD2 4.45Å; V853-L865 HydrophobicContact CG2-CD2 3.6Å; C863-L865 PolarHBondContact O-N 3.45Å; L865-L867 HydrophobicContact CB-CD1 4.44Å; L865-L867 HydrophobicContact CB-CG 4.18Å; L865-L867 HydrophobicContact CD2-CD1 4.43Å; L865-L867 PolarHBondContact O-N 3.02Å; L865-L875 HydrophobicContact CD1-CD1 3.79Å
866P88.8Confident89.8Confident7 Ų749.8 Ų49.85%0.04524%0.241CC..  trans-78.926.3-178.733.9-37.4000114.1R802 E805 Y848R802-P866 PolarHBondContact NE-O 2.98Å; R802-P866 VanDerWaalsContact NE-O 3.08Å; R802-P866 PolarHBondContact NH2-O 3.25Å; E805-P866 WeakPolarHBondContact OE2-CB 3.43Å; Y848-P866 HydrophobicContact CD1-CG 4.4Å; Y848-P866 HydrophobicContact CE1-CG 3.61Å; Y848-P866 HydrophobicContact CE2-CG 4.17Å; Y848-P866 VanDerWaalsContact CZ-CG 3.47Å; Y848-P866 WeakPolarHBondContact OH-CG 3.44Å
867L90.1Very high89.5Confident1 Ų157.8 Ų57.81%0.00527%0.27CS..  trans-111.7168.3-155-52.8-172.2000114.7L794 T798 L837 E838 Y848 L865 C871L794-L867 HydrophobicContact CD2-CB 4.05Å; T798-L867 WeakPolarHBondContact CG2-O 3.47Å; T798-L867 PolarHBondContact OG1-O 3.36Å; L837-L867 HydrophobicContact CB-CD1 4.03Å; L837-L867 HydrophobicContact CD1-CD1 4.34Å; E838-L867 HydrophobicContact CB-CD1 4.49Å; E838-L867 HydrophobicContact CB-CD2 3.87Å; E838-L867 HydrophobicContact CG-CD2 4.42Å; E838-L867 WeakPolarHBondContact OE2-CA 3.07Å; E838-L867 WeakPolarHBondContact OE2-CB 3.49Å; Y848-L867 HydrophobicContact CD1-CD2 4.42Å; Y848-L867 HydrophobicContact CD2-CD2 3.47Å; Y848-L867 VanDerWaalsContact CD2-CD2 3.47Å; Y848-L867 HydrophobicContact CE2-CD2 3.77Å; Y848-L867 HydrophobicContact CG-CD1 4.46Å; Y848-L867 HydrophobicContact CG-CD2 3.82Å; L865-L867 HydrophobicContact CB-CD1 4.44Å; L865-L867 HydrophobicContact CB-CG 4.18Å; L865-L867 HydrophobicContact CD2-CD1 4.43Å; L865-L867 PolarHBondContact O-N 3.02Å; L867-C871 HydrophobicContact CB-CB 4.41Å; L867-C871 HydrophobicContact CD1-CB 3.88Å
868G88.1Confident89.3Confident14 Ų1459.3 Ų59.314%0.14428%0.283CS..  trans-76.1176.6169.100000114.3E838 D870 C871E838-G868 PolarHBondContact OE2-N 3.18Å; E838-G868 VanDerWaalsContact OE2-N 3.07Å; G868-D870 PolarHBondContact O-N 3.05Å; G868-C871 PolarHBondContact O-SG 2.98Å
869L89Confident89.1Confident93 Ų9358.7 Ų58.749%0.48728%0.283SS..G310 helixtrans-66.8-19.2173.2-87.1173.4000113.2L796 C871 V872 I884L796-L869 HydrophobicContact CD1-CD1 3.96Å; L796-L869 HydrophobicContact CD1-CD2 3.75Å; L796-L869 HydrophobicContact CD1-CG 3.75Å; L796-L869 HydrophobicContact CD2-CG 4.33Å; L869-C871 VanDerWaalsContact C-N 3.26Å; L869-C871 PolarHBondContact O-N 2.98Å; L869-V872 HydrophobicContact CD2-CG2 4.01Å; L869-V872 VanDerWaalsContact O-CB 3.24Å; L869-V872 WeakPolarHBondContact O-CB 3.49Å; L869-V872 VanDerWaalsContact O-CG2 3.29Å; L869-V872 WeakPolarHBondContact O-CG2 3.46Å; L869-V872 PolarHBondContact O-N 3.25Å; L869-I884 HydrophobicContact CD2-CD1 4.01Å
870D86.8Confident89Confident115 Ų11553.6 Ų53.662%0.61526%0.261SS*.G310 helixtrans-63.3-30.9-176.2-58-86.2000113G868 V872G868-D870 PolarHBondContact O-N 3.05Å; D870-V872 PolarHBondContact O-N 3.09Å
871C88.8Confident89Confident0 Ų055.9 Ų55.90%026%0.257CS..G310 helixtrans-64.1-27.5174.773.50000113L837 L867 G868 L869 R873 R874 L875L837-C871 HydrophobicContact CB-CB 4.17Å; L837-C871 HydrophobicContact CD2-CB 4.32Å; L867-C871 HydrophobicContact CB-CB 4.41Å; L867-C871 HydrophobicContact CD1-CB 3.88Å; G868-C871 PolarHBondContact O-SG 2.98Å; L869-C871 VanDerWaalsContact C-N 3.26Å; L869-C871 PolarHBondContact O-N 2.98Å; C871-R873 VanDerWaalsContact C-N 3.27Å; C871-R873 PolarHBondContact O-N 3.21Å; C871-R874 WeakPolarHBondContact O-CB 3.48Å; C871-R874 PolarHBondContact O-N 3.46Å; C871-L875 HydrophobicContact CB-CD1 4.48Å; C871-L875 WeakPolarHBondContact O-CG 3.41Å; C871-L875 PolarHBondContact O-N 2.95Å
872V89.9Confident89.1Confident15 Ų1554.2 Ų54.29%0.09125%0.249CC..Hα-helixtrans-60.2-37.2-177-1790000111.5L794 L869 D870 R874 H876 P882 I884L794-V872 HydrophobicContact CD1-CG2 3.4Å; L794-V872 VanDerWaalsContact CD1-CG2 3.4Å; L869-V872 HydrophobicContact CD2-CG2 4.01Å; L869-V872 VanDerWaalsContact O-CB 3.24Å; L869-V872 WeakPolarHBondContact O-CB 3.49Å; L869-V872 VanDerWaalsContact O-CG2 3.29Å; L869-V872 WeakPolarHBondContact O-CG2 3.46Å; L869-V872 PolarHBondContact O-N 3.25Å; D870-V872 PolarHBondContact O-N 3.09Å; V872-R874 VanDerWaalsContact C-N 3.25Å; V872-R874 PolarHBondContact O-N 3.11Å; V872-H876 VanDerWaalsContact CG1-CE1 3.44Å; V872-H876 WeakPolarHBondContact CG1-CE1 3.21Å; V872-H876 WeakPolarHBondContact O-CB 3.48Å; V872-H876 VanDerWaalsContact O-CG 3.25Å; V872-H876 PolarHBondContact O-N 2.76Å; V872-P882 HydrophobicContact CG1-CG 4.15Å; V872-P882 HydrophobicContact CG2-CG 4.13Å; V872-I884 HydrophobicContact CG1-CD1 4.44Å; V872-I884 HydrophobicContact CG2-CD1 4.04Å
873R85.8Confident89Confident200 Ų20055 Ų5576%0.75526%0.256SS*.Hα-helixtrans-66.8-25.7177.1-72-177.3175.5176.2-0.4113.2C871 R877C871-R873 VanDerWaalsContact C-N 3.27Å; C871-R873 PolarHBondContact O-N 3.21Å; R873-R877 WeakPolarHBondContact O-CG 3.45Å
874R87.9Confident88.9Confident85 Ų8558.5 Ų58.532%0.32127%0.274SS..Hα-helixtrans-83.6-48.9176.3-62.5176.2173.7114-3.6110.1V836 L837 C871 V872 H876 R877V836-R874 WeakPolarHBondContact O-CD 3.36Å; V836-R874 PolarHBondContact O-NE 3.11Å; L837-R874 HydrophobicContact CD2-CB 3.66Å; L837-R874 PolarHBondContact O-NH1 2.86Å; C871-R874 WeakPolarHBondContact O-CB 3.48Å; C871-R874 PolarHBondContact O-N 3.46Å; V872-R874 VanDerWaalsContact C-N 3.25Å; V872-R874 PolarHBondContact O-N 3.11Å; R874-H876 VanDerWaalsContact C-N 3.3Å; R874-H876 PolarHBondContact O-N 3.13Å; R874-R877 WeakPolarHBondContact O-CB 3.39Å; R874-R877 PolarHBondContact O-N 3.3Å
875L89.5Confident88.7Confident0 Ų060.4 Ų60.40%028%0.283CS..Hα-helixtrans-52.2-45.7175.1-67.7165.4000112.1L837 L850 V853 L865 C871 R877 S878 E879 I880 P882L837-L875 HydrophobicContact CD1-CD2 4.04Å; L837-L875 HydrophobicContact CD2-CD2 4.23Å; L837-L875 HydrophobicContact CD2-CG 4.12Å; L850-L875 HydrophobicContact CD2-CD2 3.86Å; V853-L875 HydrophobicContact CG1-CD2 4.39Å; L865-L875 HydrophobicContact CD1-CD1 3.79Å; C871-L875 HydrophobicContact CB-CD1 4.48Å; C871-L875 WeakPolarHBondContact O-CG 3.41Å; C871-L875 PolarHBondContact O-N 2.95Å; L875-R877 VanDerWaalsContact C-N 3.26Å; L875-R877 PolarHBondContact O-N 3.3Å; L875-S878 CarbonylContact O-C 3.56Å; L875-S878 PolarHBondContact O-N 3.29Å; L875-S878 VanDerWaalsContact O-N 3.08Å; L875-E879 PolarHBondContact O-N 3.06Å; L875-I880 CarbonylContact C-O 3.25Å; L875-I880 HydrophobicContact CB-CB 4.22Å; L875-I880 HydrophobicContact CB-CG2 4.39Å; L875-I880 WeakPolarHBondContact CB-O 3.47Å; L875-I880 HydrophobicContact CD2-CB 4.18Å; L875-I880 HydrophobicContact CD2-CD1 4.38Å; L875-I880 HydrophobicContact CD2-CG2 3.89Å; L875-I880 PolarHBondContact O-N 3.48Å; L875-P882 HydrophobicContact CD1-CB 4.34Å; L875-P882 HydrophobicContact CD1-CG 3.99Å
876H86.9Confident88.4Confident88 Ų8867.2 Ų67.241%0.40731%0.313SS..G310 helixtrans-64-21177.2-72.7178.5000115.1V872 R874 S878 Y881V872-H876 VanDerWaalsContact CG1-CE1 3.44Å; V872-H876 WeakPolarHBondContact CG1-CE1 3.21Å; V872-H876 WeakPolarHBondContact O-CB 3.48Å; V872-H876 VanDerWaalsContact O-CG 3.25Å; V872-H876 PolarHBondContact O-N 2.76Å; R874-H876 VanDerWaalsContact C-N 3.3Å; R874-H876 PolarHBondContact O-N 3.13Å; H876-S878 VanDerWaalsContact C-N 3.27Å; H876-Y881 AromaticContact CD2-CD1 3.51Å; H876-Y881 AromaticContact NE2-CD1 3.69Å
877R85.3Confident88.1Confident173 Ų17367.6 Ų67.665%0.65332%0.315SS*.G310 helixtrans-75.9-19.3174.7-69.3171.3179.3-179.9-2.7112.5S834 R873 R874 L875S834-R877 PolarHBondContact OG-NH1 2.85Å; R873-R877 WeakPolarHBondContact O-CG 3.45Å; R874-R877 WeakPolarHBondContact O-CB 3.39Å; R874-R877 PolarHBondContact O-N 3.3Å; L875-R877 VanDerWaalsContact C-N 3.26Å; L875-R877 PolarHBondContact O-N 3.3Å
878S85.2Confident87.5Confident53 Ų5370 Ų7037%0.37134%0.34SS..G310 helixtrans-110.424.3179.2-540000111.4L850 L875 H876 I880L850-S878 WeakPolarHBondContact CD1-OG 3.47Å; L875-S878 CarbonylContact O-C 3.56Å; L875-S878 PolarHBondContact O-N 3.29Å; L875-S878 VanDerWaalsContact O-N 3.08Å; H876-S878 VanDerWaalsContact C-N 3.27Å; S878-I880 PolarHBondContact O-N 3.32Å
879E87.1Confident86.8Confident144 Ų14472.5 Ų72.567%0.67335%0.352SS*.THydrogen-bonded Turntrans59.211.5179.9-51.2-168.9159.300115.3L875 Y881L875-E879 PolarHBondContact O-N 3.06Å; E879-Y881 WeakPolarHBondContact O-CD2 3.3Å; E879-Y881 VanDerWaalsContact O-CE2 3.25Å; E879-Y881 WeakPolarHBondContact O-CE2 3.44Å; E879-Y881 PolarHBondContact O-N 2.7Å
880I88.7Confident85.8Confident13 Ų1370.6 Ų70.67%0.06735%0.347CS..  trans-85.6107.7175.8-59.3174.3000109P792 L850 E854 M857 L875 S878 P882P792-I880 HydrophobicContact CG-CG2 3.6Å; L850-I880 HydrophobicContact CD2-CD1 4.4Å; E854-I880 HydrophobicContact CG-CD1 4.2Å; M857-I880 HydrophobicContact CE-CG1 4.47Å; M857-I880 HydrophobicContact CE-CG2 4.23Å; M857-I880 HydrophobicContact SD-CD1 4.19Å; M857-I880 HydrophobicContact SD-CG1 4.42Å; M857-I880 HydrophobicContact SD-CG2 3.97Å; L875-I880 CarbonylContact C-O 3.25Å; L875-I880 HydrophobicContact CB-CB 4.22Å; L875-I880 HydrophobicContact CB-CG2 4.39Å; L875-I880 WeakPolarHBondContact CB-O 3.47Å; L875-I880 HydrophobicContact CD2-CB 4.18Å; L875-I880 HydrophobicContact CD2-CD1 4.38Å; L875-I880 HydrophobicContact CD2-CG2 3.89Å; L875-I880 PolarHBondContact O-N 3.48Å; S878-I880 PolarHBondContact O-N 3.32Å; I880-P882 WeakPolarHBondContact O-CD 2.9Å
881Y89.3Confident84.5Confident91 Ų9169.2 Ų69.236%0.35735%0.351SS..  trans-96.899.5176.9-57.7-73.9000111R791 H876 E879R791-Y881 VanDerWaalsContact CZ-O 3.31Å; R791-Y881 PolarHBondContact NE-O 3.47Å; R791-Y881 PolarHBondContact NH2-O 3.07Å; H876-Y881 AromaticContact CD2-CD1 3.51Å; H876-Y881 AromaticContact NE2-CD1 3.69Å; E879-Y881 WeakPolarHBondContact O-CD2 3.3Å; E879-Y881 VanDerWaalsContact O-CE2 3.25Å; E879-Y881 WeakPolarHBondContact O-CE2 3.44Å; E879-Y881 PolarHBondContact O-N 2.7Å
882P92.1Very high83Confident8 Ų879.7 Ų79.75%0.05239%0.39CS..  trans-64.9156.4178.427.8-35000112.3R791 P792 L794 V872 L875 I880R791-P882 PolarHBondContact NH2-O 3.05Å; P792-P882 HydrophobicContact CB-CB 4.42Å; P792-P882 CarbonylContact O-C 3.23Å; P792-P882 VanDerWaalsContact O-CA 3.32Å; P792-P882 WeakPolarHBondContact O-CA 3.25Å; L794-P882 HydrophobicContact CD1-CB 3.99Å; L794-P882 HydrophobicContact CD1-CG 4.01Å; V872-P882 HydrophobicContact CG1-CG 4.15Å; V872-P882 HydrophobicContact CG2-CG 4.13Å; L875-P882 HydrophobicContact CD1-CB 4.34Å; L875-P882 HydrophobicContact CD1-CG 3.99Å; I880-P882 WeakPolarHBondContact O-CD 2.9Å
883V90.9Very high81.4Confident49 Ų4982.8 Ų82.830%0.29741%0.407SS..EExtended strand (participates in β ladder)trans-87.8128.1164.2177.10000107.4R791 P792 I793 L794 I885R791-V883 HydrophobicContact CB-CG2 3.97Å; P792-V883 PolarHBondContact O-N 3.11Å; I793-V883 CarbonylContact C-O 3.52Å; I793-V883 WeakPolarHBondContact CA-O 3.49Å; I793-V883 HydrophobicContact CG1-CB 4.37Å; L794-V883 PolarHBondContact N-O 3.25Å; V883-I885 HydrophobicContact CG1-CG1 4.23Å
884I90.8Very high80Confident74 Ų7475.5 Ų75.538%0.37939%0.389SS..EExtended strand (participates in β ladder)trans-114.6114.8-177.2-57.4173.4000108L794 L796 L869 V872L794-I884 HydrophobicContact CB-CG1 4.35Å; L794-I884 HydrophobicContact CD1-CG1 4.27Å; L796-I884 HydrophobicContact CD1-CG2 3.5Å; L796-I884 VanDerWaalsContact CD1-CG2 3.5Å; L796-I884 HydrophobicContact CG-CG2 4.17Å; L869-I884 HydrophobicContact CD2-CD1 4.01Å; V872-I884 HydrophobicContact CG1-CD1 4.44Å; V872-I884 HydrophobicContact CG2-CD1 4.04Å
885I89.2Confident78.3Confident40 Ų4081.7 Ų81.721%0.20541%0.412CS..EExtended strand (participates in β ladder)trans-103.9114.8179.7-56177.8000108.1I793 L794 L795 L796 V883 L908I793-I885 HydrophobicContact CG2-CD1 3.98Å; I793-I885 HydrophobicContact CG2-CG1 4.41Å; L794-I885 PolarHBondContact O-N 3Å; L795-I885 HydrophobicContact CD2-CB 4.05Å; L795-I885 HydrophobicContact CD2-CD1 4.12Å; L796-I885 PolarHBondContact N-O 3.44Å; V883-I885 HydrophobicContact CG1-CG1 4.23Å; I885-L908 HydrophobicContact CG2-CD1 4.45Å
886F86.7Confident76.5Confident148 Ų14888.5 Ų88.565%0.64944%0.442SS*.EExtended strand (participates in β ladder)trans-100.1115.5178.1-179.1-100.3000111.6L796 P797 G888L796-F886 HydrophobicContact CB-CD2 3.94Å; P797-F886 HydrophobicContact CG-CE2 4.42Å; F886-G888 PolarHBondContact O-N 3.23Å
887I82.8Confident74.8Confident15 Ų1587.4 Ų87.48%0.07744%0.439CS..  trans-89.694.2179.7-56.6175.8000108.6L796 L800 L804 V889 F904L796-I887 WeakPolarHBondContact O-CB 3.41Å; L796-I887 PolarHBondContact O-N 3.42Å; L800-I887 HydrophobicContact CB-CD1 4.37Å; L800-I887 HydrophobicContact CD1-CB 4.1Å; L800-I887 HydrophobicContact CD1-CG2 3.75Å; L804-I887 HydrophobicContact CD1-CD1 3.69Å; I887-V889 PolarHBondContact O-N 3.05Å; I887-V889 VanDerWaalsContact O-N 3.16Å; I887-F904 HydrophobicContact CG2-CE1 3.96Å; I887-F904 HydrophobicContact CG2-CZ 3.73Å
888G77.5Confident73.1Confident52 Ų5287.9 Ų87.954%0.53645%0.446SS..  trans-67.2107.2-179.600000113.3F886F886-G888 PolarHBondContact O-N 3.23Å
889V71.9Confident71.1Confident66 Ų6695.1 Ų95.140%0.447%0.466SS..  trans-90.9106177.4-175.60000110.7L800 I887 A894 L897L800-V889 HydrophobicContact CD1-CG2 3.76Å; I887-V889 PolarHBondContact O-N 3.05Å; I887-V889 VanDerWaalsContact O-N 3.16Å; V889-A894 HydrophobicContact CG1-CB 3.79Å; V889-L897 HydrophobicContact CG1-CD1 3.86Å; V889-L897 HydrophobicContact CG2-CD1 3.98Å
890S69.3Low68.9Low54 Ų5491.4 Ų91.438%0.37845%0.453SS..  trans-76153.8170.6760000111.8R892 N893 A894S890-R892 PolarHBondContact O-N 2.78Å; S890-R892 VanDerWaalsContact O-N 3.15Å; S890-N893 PolarHBondContact O-N 3.04Å; S890-N893 WeakPolarHBondContact OG-CB 3.36Å; S890-N893 VanDerWaalsContact OG-CG 3.26Å; S890-N893 PolarHBondContact OG-N 2.77Å; S890-N893 PolarHBondContact OG-ND2 2.86Å; S890-A894 PolarHBondContact O-N 3.48Å
891A58.8Low66.9Low85 Ų8595.1 Ų95.170%0.70248%0.48SS*.Hα-helixtrans-58.1-29.9178.900000113.7
892R57.2Low64.8Low220 Ų22099.4 Ų99.483%0.8350%0.5SS*.Hα-helixtrans-71.4-34173.1-69.5-178176.4174.6-1.1112.4S890S890-R892 PolarHBondContact O-N 2.78Å; S890-R892 VanDerWaalsContact O-N 3.15Å
893N56Low62.3Low80 Ų80106.6 Ų106.643%0.42853%0.531SS..Hα-helixtrans-85.6-30.7-178.2-68.4-3.7000112.7S890 R895 K896 L897S890-N893 PolarHBondContact O-N 3.04Å; S890-N893 WeakPolarHBondContact OG-CB 3.36Å; S890-N893 VanDerWaalsContact OG-CG 3.26Å; S890-N893 PolarHBondContact OG-N 2.77Å; S890-N893 PolarHBondContact OG-ND2 2.86Å; N893-R895 PolarHBondContact O-N 2.8Å; N893-K896 WeakPolarHBondContact O-CA 3.28Å; N893-K896 PolarHBondContact O-N 3.41Å; N893-L897 PolarHBondContact O-N 3.16Å
894A55.9Low60.4Low47 Ų47109 Ų10939%0.38854%0.537SS..Hα-helixtrans-52.4-39.4175.400000112.8V889 S890V889-A894 HydrophobicContact CG1-CB 3.79Å; S890-A894 PolarHBondContact O-N 3.48Å
895R53.2Low58.5Low215 Ų215108.4 Ų108.481%0.81153%0.532SS*.THydrogen-bonded Turntrans-69.7-28.6177-61.8-175.7-177.1-176.20.9113.1N893N893-R895 PolarHBondContact O-N 2.8Å
896K50.7Low56.4Low144 Ų144111.9 Ų111.963%0.62655%0.551SS**THydrogen-bonded Turntrans-86.7-26.8178.3-65.1-173.1176.5-173.90113.3N893 K898 Y899 V900N893-K896 WeakPolarHBondContact O-CA 3.28Å; N893-K896 PolarHBondContact O-N 3.41Å; K896-K898 PolarHBondContact O-N 3.19Å; K896-K898 VanDerWaalsContact O-N 3.16Å; K896-Y899 PolarHBondContact O-N 2.79Å; K896-V900 PolarHBondContact O-N 3.14Å; K896-V900 VanDerWaalsContact O-N 3.14Å
897L52.8Low54.5Low64 Ų64112.4 Ų112.434%0.33555%0.553SS.*THydrogen-bonded Turntrans-61.6-19.5178.5-101.4156.7000113.9V889 N893 Y899V889-L897 HydrophobicContact CG1-CD1 3.86Å; V889-L897 HydrophobicContact CG2-CD1 3.98Å; N893-L897 PolarHBondContact O-N 3.16Å; L897-Y899 PolarHBondContact O-N 3.25Å
898K48.3Very low53Low184 Ų184113.3 Ų113.380%0.856%0.558SS**THydrogen-bonded Turntrans-67-15.2168.5-81.5-167.4171.3-172.10114.6K896K896-K898 PolarHBondContact O-N 3.19Å; K896-K898 VanDerWaalsContact O-N 3.16Å
899Y43.1Very low51.4Low205 Ų205114.6 Ų114.680%0.80455%0.549SS*.THydrogen-bonded Turntrans-131.3-15.5-170.8-69.8-73.6000115.3K896 L897K896-Y899 PolarHBondContact O-N 2.79Å; L897-Y899 PolarHBondContact O-N 3.25Å
900V42.2Very low50.1Low66 Ų66118.1 Ų118.140%0.456%0.559SS.*  trans-130.383.2-172.9-169.40000112.2K896 F902 F903K896-V900 PolarHBondContact O-N 3.14Å; K896-V900 VanDerWaalsContact O-N 3.14Å; V900-F902 VanDerWaalsContact C-N 3.32Å; V900-F903 HydrophobicContact CG1-CB 4.08Å; V900-F903 HydrophobicContact CG1-CD2 4.09Å
901C47.3Very low49Very low91 Ų91122.2 Ų122.262%0.61557%0.57SS**SBendtrans-83.5-3.7166.6-66.40000113.5F905C901-F905 WeakPolarHBondContact O-CE2 3.19Å
902F43.3Very low48.6Very low180 Ų180119.6 Ų119.679%0.78954%0.544SS*.SBendtrans-89.4-44.8-168.3-140.7-94.7000114V900 F904V900-F902 VanDerWaalsContact C-N 3.32Å; F902-F904 VanDerWaalsContact C-N 3.32Å; F902-F904 PolarHBondContact O-N 2.83Å
903F40.7Very low48.1Very low159 Ų159113.7 Ų113.770%0.69753%0.526SS*.THydrogen-bonded Turntrans-73.4-15.9-172.8-93.8-88.6000115.3V900 F905V900-F903 HydrophobicContact CG1-CB 4.08Å; V900-F903 HydrophobicContact CG1-CD2 4.09Å; F903-F905 VanDerWaalsContact C-N 3.34Å; F903-F905 PolarHBondContact O-N 3.27Å
904F51Low47.4Very low99 Ų99112.3 Ų112.343%0.43453%0.525SS..THydrogen-bonded Turntrans-74.5-24-173.9-145.6-92.8000113.5I887 F902 L906 F907 L908I887-F904 HydrophobicContact CG2-CE1 3.96Å; I887-F904 HydrophobicContact CG2-CZ 3.73Å; F902-F904 VanDerWaalsContact C-N 3.32Å; F902-F904 PolarHBondContact O-N 2.83Å; F904-L906 PolarHBondContact O-N 2.88Å; F904-F907 PolarHBondContact O-N 3.35Å; F904-L908 PolarHBondContact O-N 2.92Å
905F51.2Low47.1Very low62 Ų62113.6 Ų113.627%0.27253%0.529SS..Hα-helixtrans-64.6-35.3-177.2-76.2-81.9000113.5L804 K807 W811 C901 F903 F907 L908 F909L804-F905 HydrophobicContact CD2-CZ 4.06Å; K807-F905 HydrophobicContact CB-CE1 4.08Å; K807-F905 HydrophobicContact CB-CZ 3.88Å; K807-F905 HydrophobicContact CG-CZ 4.24Å; W811-F905 AromaticContact CZ2-CD1 3.85Å; W811-F905 HydrophobicContact CZ2-CD1 3.85Å; C901-F905 WeakPolarHBondContact O-CE2 3.19Å; F903-F905 VanDerWaalsContact C-N 3.34Å; F903-F905 PolarHBondContact O-N 3.27Å; F905-F907 VanDerWaalsContact C-N 3.3Å; F905-F907 PolarHBondContact O-N 3.45Å; F905-L908 PolarHBondContact O-N 2.86Å; F905-F909 WeakPolarHBondContact O-CB 3.42Å; F905-F909 PolarHBondContact O-N 2.83Å
906L43.7Very low46.8Very low114 Ų114108 Ų10860%0.59751%0.512SS*.Hα-helixtrans-64.8-31.2177.8-89.4156.2000113.3F904 F910F904-L906 PolarHBondContact O-N 2.88Å; L906-F910 PolarHBondContact O-N 3.15Å
907F47.6Very low46.1Very low158 Ų158107.8 Ų107.869%0.69351%0.511SS*.Hα-helixtrans-81.4-33.1178.8-149.2-87.3000112F904 F905 F911F904-F907 PolarHBondContact O-N 3.35Å; F905-F907 VanDerWaalsContact C-N 3.3Å; F905-F907 PolarHBondContact O-N 3.45Å; F907-F911 PolarHBondContact O-N 2.9Å
908L51.4Low45.5Very low34 Ų34109.3 Ų109.318%0.17852%0.519CS..Hα-helixtrans-69.5-38.7173.9-149.380.8000111.6I885 F904 F905 F911 I912I885-L908 HydrophobicContact CG2-CD1 4.45Å; F904-L908 PolarHBondContact O-N 2.92Å; F905-L908 PolarHBondContact O-N 2.86Å; L908-F911 PolarHBondContact O-N 3.5Å; L908-I912 HydrophobicContact CD2-CD1 3.99Å; L908-I912 HydrophobicContact CG-CD1 3.96Å; L908-I912 WeakPolarHBondContact O-CG1 3.17Å; L908-I912 PolarHBondContact O-N 2.99Å
909F45.1Very low45Very low79 Ų79104.1 Ų104.135%0.34651%0.506SS..Hα-helixtrans-52.3-59.3174.3176.9-98.2000111.4W811 F905 F911 I912 E913W811-F909 HydrophobicContact CH2-CB 4.43Å; W811-F909 HydrophobicContact CH2-CD2 4.33Å; W811-F909 HydrophobicContact CZ3-CD2 4.12Å; F905-F909 WeakPolarHBondContact O-CB 3.42Å; F905-F909 PolarHBondContact O-N 2.83Å; F909-F911 VanDerWaalsContact C-N 3.27Å; F909-F911 PolarHBondContact O-N 2.99Å; F909-I912 PolarHBondContact O-N 2.88Å; F909-E913 VanDerWaalsContact CE1-OE2 3.29Å; F909-E913 WeakPolarHBondContact CE1-OE2 3.47Å; F909-E913 VanDerWaalsContact CZ-OE2 3.31Å; F909-E913 WeakPolarHBondContact CZ-OE2 3.22Å; F909-E913 VanDerWaalsContact O-CB 3.25Å; F909-E913 WeakPolarHBondContact O-CB 3.47Å; F909-E913 PolarHBondContact O-N 3.22Å
910F42.8Very low44.7Very low140 Ų14097.8 Ų97.861%0.61449%0.489SS*.Hα-helixtrans-58.8-33.3178.8-93.7-79.9000113.8L906 A914L906-F910 PolarHBondContact O-N 3.15Å; F910-A914 WeakPolarHBondContact O-CB 3.33Å; F910-A914 PolarHBondContact O-N 3.37Å
911F47.8Very low44.4Very low141 Ų14197.9 Ų97.962%0.61849%0.489SS*.Hα-helixtrans-79.8-37.5-176.3-150-86.6000113F907 L908 F909 T915F907-F911 PolarHBondContact O-N 2.9Å; L908-F911 PolarHBondContact O-N 3.5Å; F909-F911 VanDerWaalsContact C-N 3.27Å; F909-F911 PolarHBondContact O-N 2.99Å; F911-T915 HydrophobicContact CE1-CG2 4.5Å; F911-T915 WeakPolarHBondContact O-CG2 3.42Å; F911-T915 PolarHBondContact O-N 3.44Å; F911-T915 PolarHBondContact O-OG1 3.07Å
912I49.4Very low43.8Very low30 Ų3097.3 Ų97.315%0.15449%0.486CS..Hα-helixtrans-72.1-49174.3-65.2174.4000109.5F814 L908 F909 A914 T915 E916F814-I912 HydrophobicContact CZ-CG2 4.3Å; L908-I912 HydrophobicContact CD2-CD1 3.99Å; L908-I912 HydrophobicContact CG-CD1 3.96Å; L908-I912 WeakPolarHBondContact O-CG1 3.17Å; L908-I912 PolarHBondContact O-N 2.99Å; F909-I912 PolarHBondContact O-N 2.88Å; I912-A914 PolarHBondContact O-N 2.86Å; I912-T915 PolarHBondContact O-N 3.01Å; I912-T915 VanDerWaalsContact O-N 3.11Å; I912-T915 PolarHBondContact O-OG1 3.1Å; I912-E916 PolarHBondContact O-N 2.8Å
913E46.3Very low43.4Very low96 Ų9693.7 Ų93.745%0.44948%0.479SS..Hα-helixtrans-61.9-41.5-179.1-166173.5-124.200111.5F909 T915 E916 F917F909-E913 VanDerWaalsContact CE1-OE2 3.29Å; F909-E913 WeakPolarHBondContact CE1-OE2 3.47Å; F909-E913 VanDerWaalsContact CZ-OE2 3.31Å; F909-E913 WeakPolarHBondContact CZ-OE2 3.22Å; F909-E913 VanDerWaalsContact O-CB 3.25Å; F909-E913 WeakPolarHBondContact O-CB 3.47Å; F909-E913 PolarHBondContact O-N 3.22Å; E913-T915 PolarHBondContact O-N 3.47Å; E913-E916 PolarHBondContact O-N 2.88Å; E913-F917 VanDerWaalsContact O-CB 3.28Å; E913-F917 WeakPolarHBondContact O-CB 3.46Å; E913-F917 PolarHBondContact O-N 3.28Å
914A42.3Very low42.9Very low50 Ų5096.6 Ų96.641%0.41349%0.485SS..Hα-helixtrans-64.1-36.3174.700000113.6F910 I912 L918F910-A914 WeakPolarHBondContact O-CB 3.33Å; F910-A914 PolarHBondContact O-N 3.37Å; I912-A914 PolarHBondContact O-N 2.86Å; A914-L918 WeakPolarHBondContact O-CB 3.42Å; A914-L918 PolarHBondContact O-N 3.36Å
915T48.4Very low42Very low75 Ų7595.6 Ų95.646%0.4650%0.495SS..Hα-helixtrans-75.7-30.7178.847.60000112.7F911 I912 E913 S919F911-T915 HydrophobicContact CE1-CG2 4.5Å; F911-T915 WeakPolarHBondContact O-CG2 3.42Å; F911-T915 PolarHBondContact O-N 3.44Å; F911-T915 PolarHBondContact O-OG1 3.07Å; I912-T915 PolarHBondContact O-N 3.01Å; I912-T915 VanDerWaalsContact O-N 3.11Å; I912-T915 PolarHBondContact O-OG1 3.1Å; E913-T915 PolarHBondContact O-N 3.47Å; T915-S919 PolarHBondContact O-N 2.69Å
916E47.7Very low41.2Very low96 Ų96102.5 Ų102.545%0.44952%0.519SS..Hα-helixtrans-73.3-41168.5-74.1-161.499.800113I912 E913 L918 S919 T920I912-E916 PolarHBondContact O-N 2.8Å; E913-E916 PolarHBondContact O-N 2.88Å; E916-L918 VanDerWaalsContact C-N 3.34Å; E916-L918 PolarHBondContact O-N 2.87Å; E916-S919 PolarHBondContact O-N 2.92Å; E916-T920 WeakPolarHBondContact O-CB 3.34Å; E916-T920 WeakPolarHBondContact O-CG2 3.24Å; E916-T920 PolarHBondContact O-N 3.02Å; E916-T920 PolarHBondContact O-OG1 3.15Å
917F36Very low40.8Very low140 Ų140104.7 Ų104.761%0.61453%0.531SS*.Hα-helixtrans-64.4-38.8-178.1-149-88.6000111.7E913 S919 T921E913-F917 VanDerWaalsContact O-CB 3.28Å; E913-F917 WeakPolarHBondContact O-CB 3.46Å; E913-F917 PolarHBondContact O-N 3.28Å; F917-S919 VanDerWaalsContact C-N 3.31Å; F917-S919 PolarHBondContact O-N 3.46Å; F917-T921 HydrophobicContact CD1-CG2 3.78Å; F917-T921 HydrophobicContact CE1-CG2 3.74Å; F917-T921 HydrophobicContact CZ-CG2 4.5Å; F917-T921 WeakPolarHBondContact O-CB 3.4Å; F917-T921 VanDerWaalsContact O-CG2 3.26Å; F917-T921 WeakPolarHBondContact O-CG2 3.33Å; F917-T921 PolarHBondContact O-N 3.45Å; F917-T921 PolarHBondContact O-OG1 3.21Å
918L39.7Very low40.1Very low97 Ų97103.2 Ų103.251%0.50854%0.535SS..Hα-helixtrans-66.3-27.9172.6-85.2159.9000113.6A914 E916 C922A914-L918 WeakPolarHBondContact O-CB 3.42Å; A914-L918 PolarHBondContact O-N 3.36Å; E916-L918 VanDerWaalsContact C-N 3.34Å; E916-L918 PolarHBondContact O-N 2.87Å; L918-C922 WeakPolarHBondContact O-CB 3.38Å
919S37.8Very low39.1Very low74 Ų74110.8 Ų110.852%0.51757%0.566SS.*Hα-helixtrans-84.8-44.5-180-170.80000112.7T915 E916 F917 T923T915-S919 PolarHBondContact O-N 2.69Å; E916-S919 PolarHBondContact O-N 2.92Å; F917-S919 VanDerWaalsContact C-N 3.31Å; F917-S919 PolarHBondContact O-N 3.46Å; S919-T923 PolarHBondContact O-N 2.97Å; S919-T923 PolarHBondContact O-OG1 3.44Å
920T37.7Very low38.4Very low73 Ų73113.1 Ų113.145%0.44859%0.589SS.*Hα-helixtrans-76.9-33-175.952.90000113.3E916 T923 R924E916-T920 WeakPolarHBondContact O-CB 3.34Å; E916-T920 WeakPolarHBondContact O-CG2 3.24Å; E916-T920 PolarHBondContact O-N 3.02Å; E916-T920 PolarHBondContact O-OG1 3.15Å; T920-T923 WeakPolarHBondContact CA-OG1 3.44Å; T920-T923 PolarHBondContact O-OG1 3.34Å; T920-T923 VanDerWaalsContact O-OG1 3.11Å; T920-R924 WeakPolarHBondContact O-CB 3.38Å; T920-R924 PolarHBondContact O-N 2.73Å; T920-R924 VanDerWaalsContact O-N 3.12Å
921T34.8Very low38Very low67 Ų67114.1 Ų114.141%0.41160%0.601SS.*Hα-helixtrans-66.8-42.3172.452.50000111.7F917 T923 R924 A925F917-T921 HydrophobicContact CD1-CG2 3.78Å; F917-T921 HydrophobicContact CE1-CG2 3.74Å; F917-T921 HydrophobicContact CZ-CG2 4.5Å; F917-T921 WeakPolarHBondContact O-CB 3.4Å; F917-T921 VanDerWaalsContact O-CG2 3.26Å; F917-T921 WeakPolarHBondContact O-CG2 3.33Å; F917-T921 PolarHBondContact O-N 3.45Å; F917-T921 PolarHBondContact O-OG1 3.21Å; T921-T923 VanDerWaalsContact C-N 3.33Å; T921-T923 PolarHBondContact O-N 3.41Å; T921-R924 PolarHBondContact O-N 2.89Å; T921-A925 VanDerWaalsContact O-CB 3.3Å; T921-A925 WeakPolarHBondContact O-CB 3.22Å; T921-A925 PolarHBondContact O-N 2.96Å
922C34.5Very low37.3Very low79 Ų79116.1 Ų116.153%0.53461%0.612SS.*Hα-helixtrans-63.5-35.3-179.8-168.30000113L918L918-C922 WeakPolarHBondContact O-CB 3.38Å
923T34.8Very low36.4Very low105 Ų105122.5 Ų122.564%0.64465%0.645SS**Hα-helixtrans-76.7-37.8175.240.60000112.9S919 T920 T921S919-T923 PolarHBondContact O-N 2.97Å; S919-T923 PolarHBondContact O-OG1 3.44Å; T920-T923 WeakPolarHBondContact CA-OG1 3.44Å; T920-T923 PolarHBondContact O-OG1 3.34Å; T920-T923 VanDerWaalsContact O-OG1 3.11Å; T921-T923 VanDerWaalsContact C-N 3.33Å; T921-T923 PolarHBondContact O-N 3.41Å
924R31.4Very low35.7Very low220 Ų220128 Ų12883%0.8367%0.668SS**Hα-helixtrans-77-23.5-178.8-154.8170.6-170.3169.32.8114.1T920 T921 R926T920-R924 WeakPolarHBondContact O-CB 3.38Å; T920-R924 PolarHBondContact O-N 2.73Å; T920-R924 VanDerWaalsContact O-N 3.12Å; T921-R924 PolarHBondContact O-N 2.89Å; R924-R926 VanDerWaalsContact C-N 3.31Å; R924-R926 PolarHBondContact O-N 3.43Å
925A31.2Very low35.4Very low77 Ų77133.9 Ų133.964%0.63669%0.687SS**G310 helixtrans-73.7-9.4-177.300000115.6T921 N927T921-A925 VanDerWaalsContact O-CB 3.3Å; T921-A925 WeakPolarHBondContact O-CB 3.22Å; T921-A925 PolarHBondContact O-N 2.96Å; A925-N927 PolarHBondContact O-N 2.82Å
926R35.6Very low34.6Very low207 Ų207140.1 Ų140.178%0.78171%0.708SS**G310 helixtrans-82.4-4.7-173.3-74.8-173.5173.2-176.8-2.2116.2R924R924-R926 VanDerWaalsContact C-N 3.31Å; R924-R926 PolarHBondContact O-N 3.43Å
927N34.2Very low33.6Very low161 Ų161143.6 Ų143.686%0.86173%0.728SS**G310 helixtrans-124.832.7-171.6-87.3-21.3000114.9A925A925-N927 PolarHBondContact O-N 2.82Å
928V33.2Very low33.5Very low127 Ų127142.3 Ų142.377%0.7773%0.734SS**SBendtrans-132.4136170.2-172.90000110
929K31.4Very low33.2Very low192 Ų192147.1 Ų147.184%0.83575%0.747SS**  trans-74140.6177.5-66.7179.3179.7177.40110.5L931K929-L931 PolarHBondContact O-N 3.32Å
930P28.9Very low32.8Very low128 Ų128152.1 Ų152.183%0.83176%0.764SS**SBendtrans-83.678.3-174.633.8-36.3000112.8
931L34.2Very low32.4Very low162 Ų162154.6 Ų154.685%0.84878%0.775SS**  trans-154.2152.9162.6-107.1131.2000110.1K929K929-L931 PolarHBondContact O-N 3.32Å
932E34.6Very low32.5Very low182 Ų182157.4 Ų157.485%0.8579%0.794SS**  trans60.377.9-179.1-58.8-164.1166.200117.6
933L29.2Very low32.4Very low165 Ų165161.2 Ų161.286%0.86481%0.808SS**  trans-152.543.6150.6-123.3162.5000113.9
934F32.2Very low33.1Very low211 Ų211161.8 Ų161.893%0.92581%0.813SS**  trans-105.141179.6-128.8-69.6000113.4
935Q36.9Very low33Very low173 Ų173157.3 Ų157.381%0.80881%0.814SS**  trans-163.4110.3168.6-111.3172.53000111.8
936K30.6Very low33.9Very low206 Ų206159.4 Ų159.490%0.89682%0.821SS**  trans147.679.5153.9-83.2162.3-176.9172.80111.7
937L26.9Very low34.2Very low169 Ų169162.5 Ų162.589%0.88585%0.845SS**  trans-105.5115.9153.7-83.7165.9000107.4
938P33.9Very low34.2Very low113 Ų113162.6 Ų162.673%0.73484%0.844SS**  trans-74.6139.6166.831-31.4000109.8
939Y34.2Very low34.3Very low199 Ų199164.5 Ų164.578%0.7885%0.848SS**  trans-58.5145.6166.2-95.8-120.7000110.7
940M28.6Very low34.5Very low179 Ų179162.9 Ų162.988%0.88285%0.848SS**  trans-141.3125.8156.6-82.8-71.210800107.6
941D29.1Very low34.8Very low125 Ų125165 Ų16567%0.66885%0.849SS**  trans-84.3154.7-171.3-67.5-60.6000113.4
942P37.1Very low34.8Very low125 Ų125165.2 Ų165.281%0.81285%0.849SS**  trans-80.1136.4178.932.3-34.5000112.4
943I32.9Very low34.8Very low160 Ų160164.1 Ų164.182%0.82185%0.849SS**  trans-127.3141173.2-69.4-176.5000108.6
944P48.1Very low35.2Very low117 Ų117164 Ų16476%0.7685%0.848SS**  trans-101.3167.6-146.538.7-37.2000115.8
945C30Very low35.5Very low125 Ų125160.4 Ų160.485%0.84584%0.842SS**  trans-69.1135.1168.5-54.10000112.2
946P50.3Low35.4Very low121 Ų121159.3 Ų159.379%0.78685%0.845SS**  trans-77.8174.1147.534.6-31.4000111
947Q42.6Very low35.8Very low273 Ų273155.1 Ų155.1100%1.27684%0.841SS**  trans-70.80-171.1-64.8170.9-3600114.5

Retrieved 947 of 947 residues in 2917.1 ms (Link to these results)

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