A0A087XPJ0_POEFO Loading...

NEDD8-activating enzyme E1 regulatory subunit

Regulatory subunit of the dimeric UBA3-NAE1 E1 enzyme. E1 activates NEDD8 by first adenylating its C-terminal glycine residue with ATP, thereafter linking this residue to the side chain of the catalytic cysteine, yielding a NEDD8-UBA3 thioester and free AMP. E1 finally transfers NEDD8 to the catalytic cysteine of UBE2M.

AlphaFold DB , UniProt , Accession A0A087XPJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 536 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
1M39.2Very low71.1Confident242 Ų242102.4 Ų102.4100%1.19256%0.561SS**  0125.60-73.3179.4-156.700106A3M1-A3 PolarHBondContact O-N 3.12Å
2A50Low73.2Confident98 Ų9894.3 Ų94.381%0.8152%0.516SS*.PPolyproline II helixtrans-59.6133.6175.700000109.4T4A2-T4 PolarHBondContact O-N 3.14Å
3A57.4Low75Confident35 Ų3591.3 Ų91.329%0.28950%0.5SS..PPolyproline II helixtrans-56.4133.517500000109.6M1 S7 K8 D98M1-A3 PolarHBondContact O-N 3.12Å; A3-S7 WeakPolarHBondContact CB-OG 3.27Å; A3-K8 HydrophobicContact CB-CG 3.83Å; A3-D98 WeakPolarHBondContact CB-OD1 3.49Å
4T64.6Low76.5Confident101 Ų10199.1 Ų99.162%0.6252%0.518SS*.PPolyproline II helixtrans-69.1152.2173.157.50000109.4A2 G6 S7 K8A2-T4 PolarHBondContact O-N 3.14Å; T4-G6 PolarHBondContact O-N 3.49Å; T4-G6 VanDerWaalsContact O-N 3.13Å; T4-S7 PolarHBondContact N-OG 3.4Å; T4-S7 WeakPolarHBondContact O-CA 3.43Å; T4-S7 WeakPolarHBondContact O-CB 3.47Å; T4-S7 PolarHBondContact O-N 3.28Å; T4-S7 PolarHBondContact O-OG 2.85Å; T4-S7 PolarHBondContact OG1-OG 3.23Å; T4-K8 PolarHBondContact O-N 3.43Å
5K63.9Low77.8Confident166 Ų16694.8 Ų94.872%0.72249%0.494SS*.Hα-helixtrans-48.2-44.7-178.5-172.7176.8177.5178.50113.2S7 K8 E9K5-S7 VanDerWaalsContact C-N 3.31Å; K5-S7 PolarHBondContact O-N 3.47Å; K5-K8 PolarHBondContact O-N 3.46Å; K5-E9 WeakPolarHBondContact CE-OE1 3.27Å; K5-E9 PolarHBondContact O-N 3.47Å
6G69.4Low78.9Confident41 Ų4190.7 Ų90.742%0.42347%0.473SS..Hα-helixtrans-66.7-25.2177.300000115T4 Q10T4-G6 PolarHBondContact O-N 3.49Å; T4-G6 VanDerWaalsContact O-N 3.13Å; G6-Q10 WeakPolarHBondContact O-CG 3.5Å; G6-Q10 PolarHBondContact O-N 3.22Å
7S81.4Confident80Confident42 Ų4295.3 Ų95.329%0.29448%0.482SS..Hα-helixtrans-78.9-31.8175.367.80000112.9A3 T4 K5 K11A3-S7 WeakPolarHBondContact CB-OG 3.27Å; T4-S7 PolarHBondContact N-OG 3.4Å; T4-S7 WeakPolarHBondContact O-CA 3.43Å; T4-S7 WeakPolarHBondContact O-CB 3.47Å; T4-S7 PolarHBondContact O-N 3.28Å; T4-S7 PolarHBondContact O-OG 2.85Å; T4-S7 PolarHBondContact OG1-OG 3.23Å; K5-S7 VanDerWaalsContact C-N 3.31Å; K5-S7 PolarHBondContact O-N 3.47Å; S7-K11 WeakPolarHBondContact O-CB 3.49Å; S7-K11 PolarHBondContact O-N 2.96Å; S7-K11 VanDerWaalsContact O-N 3.14Å
8K86.3Confident80.9Confident48 Ų4895.9 Ų95.921%0.20949%0.486CS..Hα-helixtrans-68.3-44.4172.8-75.7-169.4166-157.20111.7A3 T4 K5 Q10 K11 Y12 E28A3-K8 HydrophobicContact CB-CG 3.83Å; T4-K8 PolarHBondContact O-N 3.43Å; K5-K8 PolarHBondContact O-N 3.46Å; K8-Q10 VanDerWaalsContact C-N 3.3Å; K8-Q10 PolarHBondContact O-N 2.66Å; K8-K11 PolarHBondContact O-N 3.14Å; K8-K11 VanDerWaalsContact O-N 3.15Å; K8-Y12 HydrophobicContact CB-CD2 4.32Å; K8-Y12 HydrophobicContact CB-CE2 4.4Å; K8-Y12 HydrophobicContact CG-CE2 4.43Å; K8-Y12 WeakPolarHBondContact O-CD2 3.48Å; K8-Y12 PolarHBondContact O-N 3.39Å; K8-E28 IonicContact NZ-OE1 3.67Å; K8-E28 PolarHBondContact NZ-OE1 3.07Å; K8-E28 IonicContact NZ-OE2 3.76Å; K8-E28 PolarHBondContact NZ-OE2 3.36Å
9E86.1Confident81.6Confident91 Ų9191.6 Ų91.643%0.42546%0.464SS..Hα-helixtrans-58.6-40.7176.7-74.3172.1-165.300111.8K5 D13K5-E9 WeakPolarHBondContact CE-OE1 3.27Å; K5-E9 PolarHBondContact O-N 3.47Å; E9-D13 WeakPolarHBondContact O-CA 3.33Å; E9-D13 WeakPolarHBondContact O-CB 3.48Å; E9-D13 PolarHBondContact O-N 3.25Å
10Q90.2Very high82.2Confident161 Ų16188.2 Ų88.275%0.75245%0.452SS*.Hα-helixtrans-66.1-41.2175.3-72.9175.6-2.800112.9G6 K8G6-Q10 WeakPolarHBondContact O-CG 3.5Å; G6-Q10 PolarHBondContact O-N 3.22Å; K8-Q10 VanDerWaalsContact C-N 3.3Å; K8-Q10 PolarHBondContact O-N 2.66Å
11K93.6Very high82.8Confident101 Ų10189.1 Ų89.144%0.43946%0.458SS..Hα-helixtrans-66.9-42179.9178.6-178.5169.9-174.80112.1S7 K8 N96 D98S7-K11 WeakPolarHBondContact O-CB 3.49Å; S7-K11 PolarHBondContact O-N 2.96Å; S7-K11 VanDerWaalsContact O-N 3.14Å; K8-K11 PolarHBondContact O-N 3.14Å; K8-K11 VanDerWaalsContact O-N 3.15Å; K11-N96 PolarHBondContact NZ-ND2 2.98Å; K11-N96 PolarHBondContact NZ-OD1 2.98Å; K11-D98 IonicContact NZ-OD2 2.66Å; K11-D98 PolarHBondContact NZ-OD2 3.11Å
12Y96.5Very high85.4Confident5 Ų580.2 Ų80.22%0.0241%0.413CS..Hα-helixtrans-997.9-175.7-56.8-45.9000113.9K8 R14 Q15 L16 Q24 N96 D98K8-Y12 HydrophobicContact CB-CD2 4.32Å; K8-Y12 HydrophobicContact CB-CE2 4.4Å; K8-Y12 HydrophobicContact CG-CE2 4.43Å; K8-Y12 WeakPolarHBondContact O-CD2 3.48Å; K8-Y12 PolarHBondContact O-N 3.39Å; Y12-R14 PolarHBondContact O-N 3.1Å; Y12-Q15 HydrophobicContact CD1-CG 4.5Å; Y12-Q15 WeakPolarHBondContact O-CG 3.4Å; Y12-Q15 PolarHBondContact O-N 3.14Å; Y12-L16 WeakPolarHBondContact O-CG 3.46Å; Y12-L16 PolarHBondContact O-N 2.87Å; Y12-Q24 HydrophobicContact CD2-CG 4.46Å; Y12-N96 PolarHBondContact OH-ND2 3.38Å; Y12-D98 PolarHBondContact OH-OD2 3.01Å
13D96.4Very high87.6Confident56 Ų5675.6 Ų75.630%0.29938%0.375SS..Hα-helixtrans-47.7-42.3-177.117287.3000113.2E9 Q15 R17E9-D13 WeakPolarHBondContact O-CA 3.33Å; E9-D13 WeakPolarHBondContact O-CB 3.48Å; E9-D13 PolarHBondContact O-N 3.25Å; D13-Q15 PolarHBondContact O-N 2.69Å; D13-R17 VanDerWaalsContact O-CG 3.3Å; D13-R17 WeakPolarHBondContact O-CG 3.37Å; D13-R17 PolarHBondContact O-N 3.41Å; D13-R17 IonicContact OD1-CZ 2.79Å; D13-R17 IonicContact OD1-NE 3.17Å; D13-R17 PolarHBondContact OD1-NE 3.31Å; D13-R17 IonicContact OD1-NH2 3.16Å; D13-R17 PolarHBondContact OD1-NH2 2.7Å; D13-R17 IonicContact OD2-CZ 3.96Å; D13-R17 IonicContact OD2-NE 3.83Å; D13-R17 PolarHBondContact OD2-NE 3.38Å; D13-R17 IonicContact OD2-NH2 2.92Å; D13-R17 PolarHBondContact OD2-NH2 3.27Å
14R96.6Very high89.5Confident201 Ų20174.4 Ų74.476%0.75836%0.364SS*.Hα-helixtrans-66.2-38.5-177.2-64.6-61.6179.5178.6-4.9113.4Y12Y12-R14 PolarHBondContact O-N 3.1Å
15Q95.9Very high91.1Very high34 Ų3475.2 Ų75.216%0.15936%0.36CS..Hα-helixtrans-86.8-28.9-17963.6-174.263.700112.3Y12 D13 R17 L18 W19 P51Y12-Q15 HydrophobicContact CD1-CG 4.5Å; Y12-Q15 WeakPolarHBondContact O-CG 3.4Å; Y12-Q15 PolarHBondContact O-N 3.14Å; D13-Q15 PolarHBondContact O-N 2.69Å; Q15-R17 PolarHBondContact O-N 3.24Å; Q15-L18 WeakPolarHBondContact O-CB 3.47Å; Q15-L18 PolarHBondContact O-N 3.27Å; Q15-W19 HydrophobicContact CB-CH2 4.04Å; Q15-W19 HydrophobicContact CB-CZ2 3.49Å; Q15-W19 VanDerWaalsContact CB-CZ2 3.49Å; Q15-W19 HydrophobicContact CG-CZ2 3.87Å; Q15-W19 PolarHBondContact O-N 2.89Å; Q15-W19 VanDerWaalsContact O-N 3.14Å; Q15-P51 PolarHBondContact NE2-O 2.63Å
16L95.6Very high92.7Very high29 Ų2968.8 Ų68.815%0.15234%0.339CS..Hα-helixtrans-59.3-29.6170.2-71173.6000112.1Y12 L18 G20 Q24Y12-L16 WeakPolarHBondContact O-CG 3.46Å; Y12-L16 PolarHBondContact O-N 2.87Å; L16-L18 PolarHBondContact O-N 3.22Å; L16-G20 WeakPolarHBondContact O-CA 3.47Å; L16-G20 PolarHBondContact O-N 3.12Å; L16-Q24 HydrophobicContact CD2-CB 3.58Å; L16-Q24 HydrophobicContact CD2-CG 4.02Å
17R96.1Very high94.1Very high169 Ų16967 Ų6764%0.63832%0.319SS*.Hα-helixtrans-69.4-15.2173.3-68.2165.3-171.4-73.4-11.6114.1D13 Q15D13-R17 VanDerWaalsContact O-CG 3.3Å; D13-R17 WeakPolarHBondContact O-CG 3.37Å; D13-R17 PolarHBondContact O-N 3.41Å; D13-R17 IonicContact OD1-CZ 2.79Å; D13-R17 IonicContact OD1-NE 3.17Å; D13-R17 PolarHBondContact OD1-NE 3.31Å; D13-R17 IonicContact OD1-NH2 3.16Å; D13-R17 PolarHBondContact OD1-NH2 2.7Å; D13-R17 IonicContact OD2-CZ 3.96Å; D13-R17 IonicContact OD2-NE 3.83Å; D13-R17 PolarHBondContact OD2-NE 3.38Å; D13-R17 IonicContact OD2-NH2 2.92Å; D13-R17 PolarHBondContact OD2-NH2 3.27Å; Q15-R17 PolarHBondContact O-N 3.24Å
18L96.1Very high94.9Very high106 Ų10667.9 Ų67.956%0.55532%0.319SS*.Hα-helixtrans-97.9-52.5179.8-62.5175.2000111.4Q15 L16Q15-L18 WeakPolarHBondContact O-CB 3.47Å; Q15-L18 PolarHBondContact O-N 3.27Å; L16-L18 PolarHBondContact O-N 3.22Å
19W94.7Very high95.4Very high15 Ų1571.5 Ų71.56%0.05734%0.34CS..Hα-helixtrans-115.94.1-174.251.460.5000114.8Q15 G23 L27 P51 I508 Q514Q15-W19 HydrophobicContact CB-CH2 4.04Å; Q15-W19 HydrophobicContact CB-CZ2 3.49Å; Q15-W19 VanDerWaalsContact CB-CZ2 3.49Å; Q15-W19 HydrophobicContact CG-CZ2 3.87Å; Q15-W19 PolarHBondContact O-N 2.89Å; Q15-W19 VanDerWaalsContact O-N 3.14Å; W19-G23 WeakPolarHBondContact O-CA 3.49Å; W19-G23 PolarHBondContact O-N 2.86Å; W19-L27 HydrophobicContact CZ2-CD2 4.3Å; W19-P51 HydrophobicContact CH2-CB 4.32Å; W19-P51 HydrophobicContact CZ2-CB 4.13Å; W19-I508 HydrophobicContact CE3-CG2 4.03Å; W19-I508 HydrophobicContact CH2-CD1 4.02Å; W19-I508 HydrophobicContact CH2-CG2 4.16Å; W19-I508 HydrophobicContact CZ3-CD1 4.34Å; W19-I508 HydrophobicContact CZ3-CG2 3.78Å; W19-Q514 VanDerWaalsContact CA-OE1 3.29Å; W19-Q514 PolarHBondContact O-NE2 3.14Å; W19-Q514 PolarHBondContact O-OE1 3.27Å
20G94.9Very high96Very high22 Ų2267.4 Ų67.423%0.22732%0.322CS..Hα-helixtrans68179.5176.200000114.5L16 H22 G23 Q24L16-G20 WeakPolarHBondContact O-CA 3.47Å; L16-G20 PolarHBondContact O-N 3.12Å; G20-H22 VanDerWaalsContact C-N 3.32Å; G20-H22 PolarHBondContact O-N 3.36Å; G20-G23 PolarHBondContact O-N 3.34Å; G20-Q24 PolarHBondContact O-N 3.26Å; G20-Q24 VanDerWaalsContact O-N 3.14Å
21D94.3Very high96.5Very high108 Ų10862 Ų6258%0.57830%0.296SS*.Hα-helixtrans-64.8-36.3179.2-60.6-41.2000112.1Q24 E25D21-Q24 WeakPolarHBondContact O-CB 3.34Å; D21-Q24 PolarHBondContact O-N 3.33Å; D21-E25 WeakPolarHBondContact O-CB 3.41Å; D21-E25 PolarHBondContact O-N 3.12Å
22H93.4Very high96.7Very high55 Ų5557.1 Ų57.126%0.25528%0.275SS..Hα-helixtrans-73.5-34.1-179.561.3-74.7000112.4G20 Q24 E25 A26 E173 Q514G20-H22 VanDerWaalsContact C-N 3.32Å; G20-H22 PolarHBondContact O-N 3.36Å; H22-Q24 VanDerWaalsContact C-N 3.32Å; H22-E25 PolarHBondContact O-N 3.16Å; H22-A26 PolarHBondContact O-N 2.93Å; H22-E173 IonicContact CD2-OE2 3.61Å; H22-E173 IonicContact CE1-OE1 2.87Å; H22-E173 IonicContact CE1-OE2 3.27Å; H22-E173 IonicContact NE2-OE1 3.13Å; H22-E173 IonicContact NE2-OE2 2.69Å; H22-E173 PolarHBondContact NE2-OE2 3.38Å; H22-Q514 PolarHBondContact CD2-NE2 2.9Å; H22-Q514 PolarHBondContact NE2-NE2 3.42Å
23G96.2Very high96.8Very high1 Ų156.9 Ų56.91%0.0127%0.274CS..Hα-helixtrans-64.8-38.917000000111.7W19 G20 A26 L27W19-G23 WeakPolarHBondContact O-CA 3.49Å; W19-G23 PolarHBondContact O-N 2.86Å; G20-G23 PolarHBondContact O-N 3.34Å; G23-A26 PolarHBondContact O-N 3.19Å; G23-L27 PolarHBondContact O-N 3.13Å; G23-L27 VanDerWaalsContact O-N 3.08Å
24Q97.8Very high96.9Very high11 Ų1154.2 Ų54.25%0.05126%0.26CS..Hα-helixtrans-65.7-41.3173.8-170.462.534.700112.1Y12 L16 G20 D21 H22 L27 E28 P51Y12-Q24 HydrophobicContact CD2-CG 4.46Å; L16-Q24 HydrophobicContact CD2-CB 3.58Å; L16-Q24 HydrophobicContact CD2-CG 4.02Å; G20-Q24 PolarHBondContact O-N 3.26Å; G20-Q24 VanDerWaalsContact O-N 3.14Å; D21-Q24 WeakPolarHBondContact O-CB 3.34Å; D21-Q24 PolarHBondContact O-N 3.33Å; H22-Q24 VanDerWaalsContact C-N 3.32Å; Q24-L27 WeakPolarHBondContact O-CB 3.46Å; Q24-L27 PolarHBondContact O-N 3.2Å; Q24-E28 HydrophobicContact CG-CG 4.37Å; Q24-E28 WeakPolarHBondContact O-CG 3.49Å; Q24-E28 PolarHBondContact O-N 2.96Å; Q24-P51 PolarHBondContact NE2-O 3.24Å
25E97.3Very high97Very high117 Ų11744.7 Ų44.755%0.54722%0.224SC..Hα-helixtrans-61.4-43.1175.9-178.9174-164.200111.7D21 H22 L27 E28 N29D21-E25 WeakPolarHBondContact O-CB 3.41Å; D21-E25 PolarHBondContact O-N 3.12Å; H22-E25 PolarHBondContact O-N 3.16Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.45Å; E25-E28 PolarHBondContact O-N 3.16Å; E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 VanDerWaalsContact O-CG 3.29Å; E25-N29 PolarHBondContact O-N 3.04Å; E25-N29 PolarHBondContact O-ND2 3.15Å
26A97.9Very high97.2Very high32 Ų3243.5 Ų43.526%0.26422%0.219SC..Hα-helixtrans-59.8-41.5173.800000111.7H22 G23 N29 A30 I511H22-A26 PolarHBondContact O-N 2.93Å; G23-A26 PolarHBondContact O-N 3.19Å; A26-N29 PolarHBondContact O-N 3.21Å; A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 2.89Å; A26-I511 HydrophobicContact CB-CG2 4.45Å; A26-I511 WeakPolarHBondContact O-CG2 3.23Å
27L98.1Very high97.3Very high2 Ų242.1 Ų42.11%0.0121%0.212CC..Hα-helixtrans-65.9-46.5177.6-165.568.7000112.3W19 G23 Q24 E25 N29 A30 P51 I53 G54 I508 I511W19-L27 HydrophobicContact CZ2-CD2 4.3Å; G23-L27 PolarHBondContact O-N 3.13Å; G23-L27 VanDerWaalsContact O-N 3.08Å; Q24-L27 WeakPolarHBondContact O-CB 3.46Å; Q24-L27 PolarHBondContact O-N 3.2Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.45Å; L27-N29 PolarHBondContact O-N 3.48Å; L27-A30 PolarHBondContact O-N 2.75Å; L27-P51 HydrophobicContact CD2-CB 3.81Å; L27-P51 HydrophobicContact CD2-CG 4.15Å; L27-P51 WeakPolarHBondContact CD2-O 3.39Å; L27-I53 HydrophobicContact CD1-CD1 3.65Å; L27-I53 HydrophobicContact CG-CD1 4.27Å; L27-I53 CarbonylContact O-C 3.59Å; L27-I53 WeakPolarHBondContact O-CA 3.49Å; L27-G54 PolarHBondContact O-N 3Å; L27-I508 HydrophobicContact CD1-CG1 4.05Å; L27-I511 HydrophobicContact CD1-CD1 4.2Å; L27-I511 HydrophobicContact CD1-CG2 4.19Å
28E98.2Very high97.4Very high62 Ų6234.5 Ų34.529%0.2918%0.184SC..Hα-helixtrans-67.2-21.1178.6-70.6-165.6164.500113.2K8 Q24 E25 G54K8-E28 IonicContact NZ-OE1 3.67Å; K8-E28 PolarHBondContact NZ-OE1 3.07Å; K8-E28 IonicContact NZ-OE2 3.76Å; K8-E28 PolarHBondContact NZ-OE2 3.36Å; Q24-E28 HydrophobicContact CG-CG 4.37Å; Q24-E28 WeakPolarHBondContact O-CG 3.49Å; Q24-E28 PolarHBondContact O-N 2.96Å; E25-E28 PolarHBondContact O-N 3.16Å; E28-G54 WeakPolarHBondContact O-CA 3.42Å
29N98.5Very high97.5Very high124 Ų12429.4 Ų29.466%0.66316%0.157SC*.Hα-helixtrans-93-9.7176.9-72.8-36000113.7E25 A26 L27E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 VanDerWaalsContact O-CG 3.29Å; E25-N29 PolarHBondContact O-N 3.04Å; E25-N29 PolarHBondContact O-ND2 3.15Å; A26-N29 PolarHBondContact O-N 3.21Å; L27-N29 PolarHBondContact O-N 3.48Å
30A98.8Very high97.7Very high4 Ų428.7 Ų28.73%0.03316%0.155CC..  trans-83.5150.5-176.200000113.3A26 L27 I53 G54 A55 T123 I511A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 2.89Å; L27-A30 PolarHBondContact O-N 2.75Å; A30-I53 HydrophobicContact CB-CD1 3.62Å; A30-G54 WeakPolarHBondContact O-CA 3.49Å; A30-G54 PolarHBondContact O-N 3.41Å; A30-A55 PolarHBondContact O-N 3.2Å; A30-T123 WeakPolarHBondContact CA-OG1 3.46Å; A30-T123 HydrophobicContact CB-CG2 4.05Å; A30-I511 HydrophobicContact CB-CB 4.43Å; A30-I511 HydrophobicContact CB-CD1 4.17Å; A30-I511 HydrophobicContact CB-CG1 4.05Å; A30-I511 HydrophobicContact CB-CG2 3.51Å
31H98.8Very high97.9Very high47 Ų4727.7 Ų27.722%0.21814%0.144CC..EExtended strand (participates in β ladder)trans-124.9112.6174.6-167.2172.7000110.2A55 T57 F122 T123H31-A55 WeakPolarHBondContact CA-O 3.42Å; H31-A55 HydrophobicContact CB-CB 4.35Å; H31-A55 PolarHBondContact CD2-O 3.14Å; H31-T57 PolarHBondContact NE2-OG1 3.41Å; H31-F122 HydrophobicContact CB-CD1 4.46Å; H31-F122 AromaticContact CD2-CD1 3.79Å; H31-F122 AromaticContact CD2-CE1 3.84Å; H31-F122 AromaticContact CE1-CE1 3.82Å; H31-F122 AromaticContact CG-CD1 3.88Å; H31-F122 AromaticContact NE2-CE1 3.61Å; H31-F122 CarbonylContact O-C 3.15Å; H31-F122 WeakPolarHBondContact O-CA 3.42Å; H31-F122 WeakPolarHBondContact O-CB 3.46Å; H31-T123 PolarHBondContact N-OG1 3.06Å; H31-T123 PolarHBondContact O-N 2.65Å
32V98.9Very high98.1Very high0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-97.6136.5-177.5177.10000111.3L48 I53 A55 F56 T57 I124 I126 I511V32-L48 HydrophobicContact CG1-CD1 4.09Å; V32-L48 HydrophobicContact CG2-CD1 4.36Å; V32-I53 HydrophobicContact CG2-CD1 3.71Å; V32-I53 HydrophobicContact CG2-CG1 3.82Å; V32-A55 PolarHBondContact N-O 2.97Å; V32-F56 CarbonylContact O-C 3.57Å; V32-F56 WeakPolarHBondContact O-CA 3.31Å; V32-T57 PolarHBondContact O-N 3.2Å; V32-I124 HydrophobicContact CB-CG2 4.49Å; V32-I124 HydrophobicContact CG1-CG2 4.27Å; V32-I124 HydrophobicContact CG2-CG2 3.8Å; V32-I126 HydrophobicContact CG1-CD1 3.8Å; V32-I126 HydrophobicContact CG1-CG1 4.18Å; V32-I511 HydrophobicContact CG2-CD1 4.03Å
33C98.9Very high98.4Very high0 Ų020.3 Ų20.30%011%0.106CC..EExtended strand (participates in β ladder)trans-101.7124.6167.4-178.10000110.3T57 F122 I124 V125 I126C33-T57 WeakPolarHBondContact CA-O 3.42Å; C33-F122 HydrophobicContact CB-CB 4.17Å; C33-F122 HydrophobicContact CB-CD1 3.68Å; C33-F122 HydrophobicContact CB-CD2 3.43Å; C33-F122 VanDerWaalsContact CB-CD2 3.43Å; C33-F122 HydrophobicContact CB-CE1 3.8Å; C33-F122 HydrophobicContact CB-CE2 3.57Å; C33-F122 HydrophobicContact CB-CG 3.48Å; C33-F122 VanDerWaalsContact CB-CG 3.48Å; C33-F122 HydrophobicContact CB-CZ 3.74Å; C33-I124 PolarHBondContact N-O 3.43Å; C33-I124 VanDerWaalsContact N-O 3.08Å; C33-V125 HydrophobicContact CB-CB 4.48Å; C33-V125 HydrophobicContact CB-CG1 4.27Å; C33-V125 HydrophobicContact CB-CG2 4.14Å; C33-V125 CarbonylContact O-C 3.5Å; C33-I126 PolarHBondContact O-N 3.45Å
34L98.9Very high98.5Very high0 Ų020.2 Ų20.20%011%0.106CC..EExtended strand (participates in β ladder)trans-103.8128.9170.2178.173.2000109.3G41 L45 T57 I58 V59 I126 V128L34-G41 WeakPolarHBondContact CD2-O 3.33Å; L34-L45 HydrophobicContact CB-CD2 4.23Å; L34-L45 HydrophobicContact CD2-CB 4.14Å; L34-L45 HydrophobicContact CD2-CD2 3.69Å; L34-L45 HydrophobicContact CD2-CG 4.47Å; L34-T57 PolarHBondContact N-O 3.05Å; L34-I58 HydrophobicContact CD2-CD1 4.48Å; L34-I58 HydrophobicContact CD2-CG1 4.42Å; L34-I58 HydrophobicContact CD2-CG2 4.4Å; L34-I58 CarbonylContact O-C 3.55Å; L34-I58 WeakPolarHBondContact O-CA 2.9Å; L34-V59 PolarHBondContact O-N 3.45Å; L34-I126 HydrophobicContact CD1-CB 4.26Å; L34-I126 HydrophobicContact CD1-CG2 4.18Å; L34-V128 HydrophobicContact CD1-CG2 3.71Å
35I98.8Very high98.6Very high0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-104.1125.2171.8-54.4172.2000109.1V59 P108 F119 V125 I126 V128 L130 L139I35-V59 WeakPolarHBondContact CA-O 2.91Å; I35-V59 HydrophobicContact CG1-CB 4.4Å; I35-P108 HydrophobicContact CD1-CB 4.42Å; I35-P108 HydrophobicContact CG2-CB 3.93Å; I35-P108 HydrophobicContact CG2-CG 3.76Å; I35-F119 HydrophobicContact CD1-CE1 3.99Å; I35-F119 HydrophobicContact CD1-CZ 4.46Å; I35-F119 HydrophobicContact CG1-CE1 4.42Å; I35-V125 HydrophobicContact CD1-CG1 3.86Å; I35-V125 HydrophobicContact CG1-CG1 4.32Å; I35-I126 PolarHBondContact N-O 2.94Å; I35-V128 WeakPolarHBondContact O-CB 3.47Å; I35-V128 PolarHBondContact O-N 3.43Å; I35-V128 VanDerWaalsContact O-N 3.07Å; I35-L130 HydrophobicContact CD1-CD1 4.49Å; I35-L130 HydrophobicContact CG2-CD1 4.48Å; I35-L130 HydrophobicContact CG2-CD2 3.81Å; I35-L139 HydrophobicContact CD1-CD2 3.18Å
36N98.5Very high98.7Very high9 Ų916.4 Ų16.45%0.0489%0.087CC..  trans67.1120.9-172.3-58.2-40.5000115.1T38 V59 D60 V128N36-T38 VanDerWaalsContact C-N 3.29Å; N36-T38 HydrophobicContact CB-CG2 4.23Å; N36-T38 PolarHBondContact O-N 2.82Å; N36-V59 PolarHBondContact N-O 3.32Å; N36-D60 VanDerWaalsContact CA-OD2 3.29Å; N36-D60 WeakPolarHBondContact CA-OD2 3.27Å; N36-V128 WeakPolarHBondContact CB-O 3.41Å; N36-V128 PolarHBondContact ND2-O 3Å
37A98.4Very high98.7Very high0 Ų017.2 Ų17.20%09%0.087CC..  trans-92.350.917800000111.7T42 I58 D60 N72 R84 A88A37-T42 HydrophobicContact CB-CG2 4.19Å; A37-I58 HydrophobicContact CB-CD1 4.45Å; A37-I58 HydrophobicContact CB-CG2 3.76Å; A37-D60 PolarHBondContact N-OD2 3.31Å; A37-N72 PolarHBondContact O-ND2 2.92Å; A37-R84 HydrophobicContact CB-CG 4.08Å; A37-R84 WeakPolarHBondContact O-CD 3.42Å; A37-A88 HydrophobicContact CB-CB 3.59Å
38T98.6Very high98.7Very high9 Ų917.1 Ų17.16%0.0559%0.086CC..SBendtrans-76179.1170.7730000110.8N36 T40 G41 T42 N72 Q129 E491N36-T38 VanDerWaalsContact C-N 3.29Å; N36-T38 HydrophobicContact CB-CG2 4.23Å; N36-T38 PolarHBondContact O-N 2.82Å; T38-T40 VanDerWaalsContact C-N 3.25Å; T38-T40 PolarHBondContact O-N 3.46Å; T38-G41 PolarHBondContact O-N 2.87Å; T38-G41 VanDerWaalsContact O-N 3.1Å; T38-T42 PolarHBondContact O-N 3.4Å; T38-T42 PolarHBondContact O-OG1 3.02Å; T38-N72 PolarHBondContact O-ND2 3.28Å; T38-Q129 HydrophobicContact CG2-CB 4.46Å; T38-Q129 HydrophobicContact CG2-CG 4.11Å; T38-E491 WeakPolarHBondContact CB-OE1 3.33Å; T38-E491 VanDerWaalsContact CB-OE2 3.26Å; T38-E491 WeakPolarHBondContact CB-OE2 3.45Å; T38-E491 PolarHBondContact OG1-OE1 3.19Å
39A98.6Very high98.8Very high0 Ų014.2 Ų14.20%07%0.073CC..Hα-helixtrans-55.8-43.1-179.600000111.8T42 E43 N71 E491A39-T42 PolarHBondContact O-OG1 3.04Å; A39-T42 VanDerWaalsContact O-OG1 3.06Å; A39-E43 VanDerWaalsContact O-CB 3.31Å; A39-E43 WeakPolarHBondContact O-CB 3.04Å; A39-E43 VanDerWaalsContact O-CG 3.28Å; A39-E43 WeakPolarHBondContact O-CG 3.41Å; A39-E43 PolarHBondContact O-N 3.24Å; A39-N71 VanDerWaalsContact CB-O 3.29Å; A39-N71 WeakPolarHBondContact CB-O 3.4Å; A39-E491 HydrophobicContact CB-CG 4.28Å; A39-E491 PolarHBondContact N-OE1 2.94Å; A39-E491 PolarHBondContact N-OE2 3.4Å; A39-E491 VanDerWaalsContact N-OE2 3.16Å
40T98.8Very high98.8Very high0 Ų012.1 Ų12.10%06%0.061CC..Hα-helixtrans-59.7-50.5175.3-55.70000111.2T38 T42 E43 I44 V128 C153 T155 E491 S496 L499T38-T40 VanDerWaalsContact C-N 3.25Å; T38-T40 PolarHBondContact O-N 3.46Å; T40-T42 PolarHBondContact O-N 3.34Å; T40-E43 PolarHBondContact O-N 3.37Å; T40-I44 HydrophobicContact CG2-CD1 4.07Å; T40-I44 VanDerWaalsContact O-CG1 3.3Å; T40-I44 WeakPolarHBondContact O-CG1 3.37Å; T40-I44 PolarHBondContact O-N 2.9Å; T40-V128 HydrophobicContact CG2-CG1 3.75Å; T40-C153 HydrophobicContact CG2-CB 4.33Å; T40-T155 WeakPolarHBondContact OG1-CB 3.42Å; T40-T155 PolarHBondContact OG1-OG1 2.98Å; T40-T155 VanDerWaalsContact OG1-OG1 3.11Å; T40-E491 WeakPolarHBondContact CB-OE1 3.44Å; T40-E491 PolarHBondContact N-OE1 2.95Å; T40-E491 PolarHBondContact OG1-OE1 3.39Å; T40-S496 WeakPolarHBondContact OG1-CB 3.43Å; T40-S496 PolarHBondContact OG1-OG 3.49Å; T40-L499 HydrophobicContact CG2-CD2 3.87Å; T40-L499 HydrophobicContact CG2-CG 4.38Å
41G98.8Very high98.8Very high0 Ų012.4 Ų12.40%06%0.063CC..Hα-helixtrans-62.5-43.8-176.400000112.5L34 T38 I44 L45L34-G41 WeakPolarHBondContact CD2-O 3.33Å; T38-G41 PolarHBondContact O-N 2.87Å; T38-G41 VanDerWaalsContact O-N 3.1Å; G41-I44 PolarHBondContact O-N 2.78Å; G41-L45 WeakPolarHBondContact O-CB 3.31Å; G41-L45 PolarHBondContact O-N 3.18Å
42T98.8Very high98.7Very high0 Ų010.3 Ų10.30%05%0.054CC..Hα-helixtrans-69.8-32.7177.753.30000112.8A37 T38 A39 T40 L45 K46 N72 F74 A88 L92A37-T42 HydrophobicContact CB-CG2 4.19Å; T38-T42 PolarHBondContact O-N 3.4Å; T38-T42 PolarHBondContact O-OG1 3.02Å; A39-T42 PolarHBondContact O-OG1 3.04Å; A39-T42 VanDerWaalsContact O-OG1 3.06Å; T40-T42 PolarHBondContact O-N 3.34Å; T42-L45 PolarHBondContact O-N 2.69Å; T42-K46 VanDerWaalsContact O-CB 3.3Å; T42-K46 WeakPolarHBondContact O-CB 3.44Å; T42-K46 PolarHBondContact O-N 3.14Å; T42-N72 WeakPolarHBondContact CG2-ND2 2.99Å; T42-N72 VanDerWaalsContact OG1-CG 3.3Å; T42-N72 PolarHBondContact OG1-ND2 3.49Å; T42-N72 PolarHBondContact OG1-OD1 2.88Å; T42-F74 HydrophobicContact CG2-CB 4.14Å; T42-A88 HydrophobicContact CG2-CB 3.95Å; T42-L92 HydrophobicContact CG2-CD1 4.33Å
43E98.9Very high98.7Very high8 Ų810.3 Ų10.34%0.0375%0.054CC..Hα-helixtrans-68.4-39.5174.1-80.3-68.4115.300112A39 T40 K46 N47 H493 A497A39-E43 VanDerWaalsContact O-CB 3.31Å; A39-E43 WeakPolarHBondContact O-CB 3.04Å; A39-E43 VanDerWaalsContact O-CG 3.28Å; A39-E43 WeakPolarHBondContact O-CG 3.41Å; A39-E43 PolarHBondContact O-N 3.24Å; T40-E43 PolarHBondContact O-N 3.37Å; E43-K46 IonicContact OE1-NZ 3.6Å; E43-K46 PolarHBondContact OE1-NZ 3.31Å; E43-K46 IonicContact OE2-NZ 2.7Å; E43-K46 PolarHBondContact OE2-NZ 3.41Å; E43-N47 PolarHBondContact O-N 3.22Å; E43-N47 PolarHBondContact O-ND2 3.35Å; E43-H493 IonicContact OE1-CE1 3.95Å; E43-A497 HydrophobicContact CG-CB 4.16Å; E43-A497 WeakPolarHBondContact OE2-CA 2.77Å; E43-A497 WeakPolarHBondContact OE2-CB 3.29Å
44I98.9Very high98.7Very high0 Ų011.3 Ų11.30%06%0.064CC..Hα-helixtrans-58.7-52.4170.4-64.6170.6000109.4T40 G41 K46 N47 L48 I126 V128 C153 A503 A504T40-I44 HydrophobicContact CG2-CD1 4.07Å; T40-I44 VanDerWaalsContact O-CG1 3.3Å; T40-I44 WeakPolarHBondContact O-CG1 3.37Å; T40-I44 PolarHBondContact O-N 2.9Å; G41-I44 PolarHBondContact O-N 2.78Å; I44-K46 PolarHBondContact O-N 3.28Å; I44-N47 PolarHBondContact O-N 2.85Å; I44-N47 VanDerWaalsContact O-N 3.07Å; I44-L48 HydrophobicContact CG2-CD1 4.14Å; I44-L48 PolarHBondContact O-N 3.47Å; I44-I126 HydrophobicContact CD1-CG2 3.94Å; I44-I126 HydrophobicContact CG2-CD1 3.81Å; I44-I126 HydrophobicContact CG2-CG2 4.43Å; I44-V128 HydrophobicContact CD1-CG2 4.02Å; I44-C153 HydrophobicContact CD1-CB 4.03Å; I44-A503 HydrophobicContact CD1-CB 3.88Å; I44-A503 HydrophobicContact CG1-CB 3.94Å; I44-A504 HydrophobicContact CG2-CB 4.37Å
45L98.9Very high98.7Very high1 Ų112 Ų121%0.0057%0.07CC..Hα-helixtrans-69.1-35.6-171.5-158.856000112.5L34 G41 T42 N47 L48 V49 F56 I58 L92L34-L45 HydrophobicContact CB-CD2 4.23Å; L34-L45 HydrophobicContact CD2-CB 4.14Å; L34-L45 HydrophobicContact CD2-CD2 3.69Å; L34-L45 HydrophobicContact CD2-CG 4.47Å; G41-L45 WeakPolarHBondContact O-CB 3.31Å; G41-L45 PolarHBondContact O-N 3.18Å; T42-L45 PolarHBondContact O-N 2.69Å; L45-N47 VanDerWaalsContact C-N 3.27Å; L45-N47 PolarHBondContact O-N 2.73Å; L45-L48 HydrophobicContact CD1-CD1 4.35Å; L45-L48 PolarHBondContact O-N 3.16Å; L45-V49 HydrophobicContact CG-CG2 4.28Å; L45-V49 WeakPolarHBondContact O-CB 3.36Å; L45-V49 VanDerWaalsContact O-CG2 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 3.16Å; L45-V49 PolarHBondContact O-N 3.09Å; L45-F56 HydrophobicContact CD1-CB 3.8Å; L45-F56 HydrophobicContact CD1-CD2 4.42Å; L45-F56 HydrophobicContact CD1-CG 4.04Å; L45-F56 HydrophobicContact CD2-CB 4.45Å; L45-F56 HydrophobicContact CD2-CD2 3.57Å; L45-F56 HydrophobicContact CD2-CE2 3.89Å; L45-F56 HydrophobicContact CD2-CG 4.01Å; L45-F56 HydrophobicContact CG-CD2 4.3Å; L45-F56 HydrophobicContact CG-CG 4.26Å; L45-I58 HydrophobicContact CD2-CD1 3.63Å; L45-I58 HydrophobicContact CD2-CG1 3.69Å; L45-L92 HydrophobicContact CB-CD1 4.1Å; L45-L92 HydrophobicContact CD2-CD1 3.61Å; L45-L92 HydrophobicContact CG-CD1 4.07Å
46K98.9Very high98.7Very high47 Ų4712 Ų1220%0.2047%0.07CC..Hα-helixtrans-51.1-48.4168.5175.2-167.272-168.20111.3T42 E43 I44 L48 V49 L50 F74 L92 L95T42-K46 VanDerWaalsContact O-CB 3.3Å; T42-K46 WeakPolarHBondContact O-CB 3.44Å; T42-K46 PolarHBondContact O-N 3.14Å; E43-K46 IonicContact OE1-NZ 3.6Å; E43-K46 PolarHBondContact OE1-NZ 3.31Å; E43-K46 IonicContact OE2-NZ 2.7Å; E43-K46 PolarHBondContact OE2-NZ 3.41Å; I44-K46 PolarHBondContact O-N 3.28Å; K46-L48 PolarHBondContact O-N 2.79Å; K46-V49 PolarHBondContact O-N 3.34Å; K46-L50 HydrophobicContact CD-CD1 4.45Å; K46-L50 HydrophobicContact CG-CD1 3.84Å; K46-L50 HydrophobicContact CG-CG 4.4Å; K46-L50 WeakPolarHBondContact O-CB 3.36Å; K46-L50 VanDerWaalsContact O-CG 3.32Å; K46-L50 WeakPolarHBondContact O-CG 3.49Å; K46-L50 PolarHBondContact O-N 3.46Å; K46-F74 HydrophobicContact CB-CE2 3.84Å; K46-F74 HydrophobicContact CB-CZ 3.76Å; K46-F74 HydrophobicContact CD-CE2 3.98Å; K46-F74 HydrophobicContact CD-CZ 3.76Å; K46-F74 HydrophobicContact CG-CE2 4.17Å; K46-F74 HydrophobicContact CG-CZ 3.73Å; K46-L92 HydrophobicContact CB-CD2 4.21Å; K46-L95 HydrophobicContact CB-CD1 4.11Å; K46-L95 HydrophobicContact CG-CD1 3.81Å
47N98.9Very high98.7Very high49 Ų4911.8 Ų11.826%0.2627%0.069SC..Hα-helixtrans-73.9-6-178.3-71.3-62.1000113.6E43 I44 L45 P51 A504E43-N47 PolarHBondContact O-N 3.22Å; E43-N47 PolarHBondContact O-ND2 3.35Å; I44-N47 PolarHBondContact O-N 2.85Å; I44-N47 VanDerWaalsContact O-N 3.07Å; L45-N47 VanDerWaalsContact C-N 3.27Å; L45-N47 PolarHBondContact O-N 2.73Å; N47-P51 WeakPolarHBondContact O-CD 3.41Å; N47-P51 WeakPolarHBondContact O-CG 3.46Å; N47-A504 HydrophobicContact CB-CB 3.37Å
48L98.9Very high98.7Very high0 Ų011.8 Ų11.80%07%0.069CC..Hα-helixtrans-101-35169.6-65.2173.7000112.4V32 I44 L45 K46 P51 G52 I53 I126 A504 A507 I508V32-L48 HydrophobicContact CG1-CD1 4.09Å; V32-L48 HydrophobicContact CG2-CD1 4.36Å; I44-L48 HydrophobicContact CG2-CD1 4.14Å; I44-L48 PolarHBondContact O-N 3.47Å; L45-L48 HydrophobicContact CD1-CD1 4.35Å; L45-L48 PolarHBondContact O-N 3.16Å; K46-L48 PolarHBondContact O-N 2.79Å; L48-P51 WeakPolarHBondContact O-CD 3.49Å; L48-P51 WeakPolarHBondContact O-CG 3.4Å; L48-G52 PolarHBondContact O-N 2.94Å; L48-I53 HydrophobicContact CB-CB 4.39Å; L48-I53 HydrophobicContact CB-CG2 4.28Å; L48-I53 WeakPolarHBondContact O-CB 3.41Å; L48-I53 WeakPolarHBondContact O-CG2 3.28Å; L48-I53 PolarHBondContact O-N 2.72Å; L48-I126 HydrophobicContact CD1-CD1 3.93Å; L48-A504 HydrophobicContact CD2-CB 4.09Å; L48-A504 HydrophobicContact CG-CB 4.04Å; L48-A507 HydrophobicContact CD1-CB 4.44Å; L48-A507 HydrophobicContact CD2-CB 4.17Å; L48-I508 HydrophobicContact CD2-CD1 4.27Å; L48-I508 HydrophobicContact CD2-CG1 3.79Å
49V98.8Very high98.7Very high0 Ų011.3 Ų11.30%07%0.066CC..Hα-helixtrans-69.8-44.3177.7174.70000111.3L45 K46 G52 F56 L95 N96 V99L45-V49 HydrophobicContact CG-CG2 4.28Å; L45-V49 WeakPolarHBondContact O-CB 3.36Å; L45-V49 VanDerWaalsContact O-CG2 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 3.16Å; L45-V49 PolarHBondContact O-N 3.09Å; K46-V49 PolarHBondContact O-N 3.34Å; V49-G52 PolarHBondContact O-N 3.18Å; V49-F56 HydrophobicContact CG2-CD1 3.7Å; V49-F56 HydrophobicContact CG2-CE1 3.55Å; V49-F56 HydrophobicContact CG2-CZ 4.43Å; V49-L95 HydrophobicContact CB-CD1 4.41Å; V49-L95 HydrophobicContact CG1-CB 3.78Å; V49-L95 HydrophobicContact CG1-CD1 4.33Å; V49-N96 HydrophobicContact CG1-CB 3.65Å; V49-N96 WeakPolarHBondContact O-CB 3.37Å; V49-N96 PolarHBondContact O-ND2 2.96Å; V49-V99 HydrophobicContact CG1-CB 4.3Å; V49-V99 HydrophobicContact CG1-CG1 4.4Å; V49-V99 HydrophobicContact CG1-CG2 4.12Å; V49-V99 HydrophobicContact CG2-CG1 4.31Å
50L98.7Very high98.7Very high81 Ų8111.3 Ų11.342%0.4247%0.066SC..THydrogen-bonded Turntrans-56.3-48.2178.5-73.8171.2000113.6K46 G52 L95 N96K46-L50 HydrophobicContact CD-CD1 4.45Å; K46-L50 HydrophobicContact CG-CD1 3.84Å; K46-L50 HydrophobicContact CG-CG 4.4Å; K46-L50 WeakPolarHBondContact O-CB 3.36Å; K46-L50 VanDerWaalsContact O-CG 3.32Å; K46-L50 WeakPolarHBondContact O-CG 3.49Å; K46-L50 PolarHBondContact O-N 3.46Å; L50-G52 PolarHBondContact O-N 2.78Å; L50-L95 HydrophobicContact CD2-CB 4.27Å; L50-L95 HydrophobicContact CD2-CD2 4.48Å; L50-N96 PolarHBondContact O-ND2 3.11Å
51P98.2Very high98.7Very high10 Ų1013 Ų137%0.0658%0.083CC..THydrogen-bonded Turntrans-75.8-3176.431.3-37.3000114Q15 W19 Q24 L27 N47 L48 I508Q15-P51 PolarHBondContact NE2-O 2.63Å; W19-P51 HydrophobicContact CH2-CB 4.32Å; W19-P51 HydrophobicContact CZ2-CB 4.13Å; Q24-P51 PolarHBondContact NE2-O 3.24Å; L27-P51 HydrophobicContact CD2-CB 3.81Å; L27-P51 HydrophobicContact CD2-CG 4.15Å; L27-P51 WeakPolarHBondContact CD2-O 3.39Å; N47-P51 WeakPolarHBondContact O-CD 3.41Å; N47-P51 WeakPolarHBondContact O-CG 3.46Å; L48-P51 WeakPolarHBondContact O-CD 3.49Å; L48-P51 WeakPolarHBondContact O-CG 3.4Å; P51-I508 HydrophobicContact CG-CD1 4.2Å
52G97.9Very high98.6Very high3 Ų317.7 Ų17.73%0.03111%0.105CC..THydrogen-bonded Turntrans89.248.1170.800000114.5L48 V49 L50L48-G52 PolarHBondContact O-N 2.94Å; V49-G52 PolarHBondContact O-N 3.18Å; L50-G52 PolarHBondContact O-N 2.78Å
53I98.7Very high98.6Very high0 Ų022 Ų220%013%0.131CC..  trans-52.4140.1163.6-166.772.4000110.7L27 A30 V32 L48 A55 V99 I511L27-I53 HydrophobicContact CD1-CD1 3.65Å; L27-I53 HydrophobicContact CG-CD1 4.27Å; L27-I53 CarbonylContact O-C 3.59Å; L27-I53 WeakPolarHBondContact O-CA 3.49Å; A30-I53 HydrophobicContact CB-CD1 3.62Å; V32-I53 HydrophobicContact CG2-CD1 3.71Å; V32-I53 HydrophobicContact CG2-CG1 3.82Å; L48-I53 HydrophobicContact CB-CB 4.39Å; L48-I53 HydrophobicContact CB-CG2 4.28Å; L48-I53 WeakPolarHBondContact O-CB 3.41Å; L48-I53 WeakPolarHBondContact O-CG2 3.28Å; L48-I53 PolarHBondContact O-N 2.72Å; I53-A55 PolarHBondContact O-N 3.46Å; I53-V99 HydrophobicContact CG2-CG1 3.74Å; I53-V99 HydrophobicContact CG2-CG2 4.46Å; I53-V99 VanDerWaalsContact O-CG1 3.26Å; I53-V99 WeakPolarHBondContact O-CG1 3.19Å; I53-V99 WeakPolarHBondContact O-CG2 3.46Å; I53-I511 HydrophobicContact CD1-CD1 3.56Å
54G98.6Very high98.6Very high20 Ų2021.8 Ų21.821%0.20613%0.13CC..SBendtrans-56.9-54.4-178.200000113.4L27 E28 A30 S100L27-G54 PolarHBondContact O-N 3Å; E28-G54 WeakPolarHBondContact O-CA 3.42Å; A30-G54 WeakPolarHBondContact O-CA 3.49Å; A30-G54 PolarHBondContact O-N 3.41Å; G54-S100 PolarHBondContact O-N 2.83Å
55A98.8Very high98.4Very high15 Ų1523.7 Ų23.712%0.12415%0.146CC..EExtended strand (participates in β ladder)trans-147.215717800000112.4A30 H31 V32 I53 S100A30-A55 PolarHBondContact O-N 3.2Å; H31-A55 WeakPolarHBondContact CA-O 3.42Å; H31-A55 HydrophobicContact CB-CB 4.35Å; H31-A55 PolarHBondContact CD2-O 3.14Å; V32-A55 PolarHBondContact N-O 2.97Å; I53-A55 PolarHBondContact O-N 3.46Å; A55-S100 CarbonylContact C-O 3.57Å; A55-S100 WeakPolarHBondContact CA-O 3.38Å; A55-S100 WeakPolarHBondContact CB-O 3.39Å
56F98.9Very high98.2Very high0 Ų026 Ų260%017%0.17CC..EExtended strand (participates in β ladder)trans-134.5153.8166.568.1-94.2000112V32 L45 V49 I58 T89 L92 V99 S100 G101 N102V32-F56 CarbonylContact O-C 3.57Å; V32-F56 WeakPolarHBondContact O-CA 3.31Å; L45-F56 HydrophobicContact CD1-CB 3.8Å; L45-F56 HydrophobicContact CD1-CD2 4.42Å; L45-F56 HydrophobicContact CD1-CG 4.04Å; L45-F56 HydrophobicContact CD2-CB 4.45Å; L45-F56 HydrophobicContact CD2-CD2 3.57Å; L45-F56 HydrophobicContact CD2-CE2 3.89Å; L45-F56 HydrophobicContact CD2-CG 4.01Å; L45-F56 HydrophobicContact CG-CD2 4.3Å; L45-F56 HydrophobicContact CG-CG 4.26Å; V49-F56 HydrophobicContact CG2-CD1 3.7Å; V49-F56 HydrophobicContact CG2-CE1 3.55Å; V49-F56 HydrophobicContact CG2-CZ 4.43Å; F56-I58 HydrophobicContact CD2-CD1 4.45Å; F56-I58 HydrophobicContact CD2-CG1 3.91Å; F56-I58 HydrophobicContact CE2-CD1 4.08Å; F56-I58 HydrophobicContact CE2-CG1 3.98Å; F56-T89 HydrophobicContact CE2-CG2 3.92Å; F56-T89 HydrophobicContact CZ-CG2 4.2Å; F56-L92 HydrophobicContact CZ-CB 4.09Å; F56-V99 HydrophobicContact CD1-CG1 3.62Å; F56-V99 HydrophobicContact CE1-CG1 3.83Å; F56-S100 PolarHBondContact N-O 3.27Å; F56-G101 VanDerWaalsContact CE1-CA 3.47Å; F56-N102 PolarHBondContact O-N 3.22Å
57T98.9Very high98Very high4 Ų429.9 Ų29.93%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-128.8125.3169-59.50000109.8H31 V32 C33 L34 N102 V104 F118 F122H31-T57 PolarHBondContact NE2-OG1 3.41Å; V32-T57 PolarHBondContact O-N 3.2Å; C33-T57 WeakPolarHBondContact CA-O 3.42Å; L34-T57 PolarHBondContact N-O 3.05Å; T57-N102 CarbonylContact C-O 3.57Å; T57-N102 VanDerWaalsContact CA-O 3.27Å; T57-N102 WeakPolarHBondContact CA-O 3.4Å; T57-N102 HydrophobicContact CG2-CB 4.4Å; T57-V104 HydrophobicContact CG2-CG2 4.06Å; T57-F118 HydrophobicContact CG2-CZ 4.42Å; T57-F122 HydrophobicContact CG2-CZ 4.38Å
58I98.9Very high97.8Very high0 Ų028.1 Ų28.10%018%0.18CC..EExtended strand (participates in β ladder)trans-94.6125.4173.4-50.2-173.8000109.9L34 A37 L45 F56 A85 A88 T89 L92 N102 F103 V104L34-I58 HydrophobicContact CD2-CD1 4.48Å; L34-I58 HydrophobicContact CD2-CG1 4.42Å; L34-I58 HydrophobicContact CD2-CG2 4.4Å; L34-I58 CarbonylContact O-C 3.55Å; L34-I58 WeakPolarHBondContact O-CA 2.9Å; A37-I58 HydrophobicContact CB-CD1 4.45Å; A37-I58 HydrophobicContact CB-CG2 3.76Å; L45-I58 HydrophobicContact CD2-CD1 3.63Å; L45-I58 HydrophobicContact CD2-CG1 3.69Å; F56-I58 HydrophobicContact CD2-CD1 4.45Å; F56-I58 HydrophobicContact CD2-CG1 3.91Å; F56-I58 HydrophobicContact CE2-CD1 4.08Å; F56-I58 HydrophobicContact CE2-CG1 3.98Å; I58-A85 HydrophobicContact CB-CB 3.98Å; I58-A85 HydrophobicContact CG2-CB 3.66Å; I58-A88 HydrophobicContact CD1-CB 4.09Å; I58-T89 WeakPolarHBondContact CD1-OG1 3.3Å; I58-L92 HydrophobicContact CD1-CD1 3.9Å; I58-N102 PolarHBondContact N-O 2.99Å; I58-F103 HydrophobicContact CB-CB 4.5Å; I58-F103 CarbonylContact O-C 3.47Å; I58-F103 WeakPolarHBondContact O-CA 3.2Å; I58-V104 PolarHBondContact O-N 3.46Å
59V98.8Very high97.7Very high0 Ų029.7 Ų29.70%019%0.189CC..EExtended strand (participates in β ladder)trans-105.9110.3172.6176.30000108.4L34 I35 N36 V104 E106 L111 F118L34-V59 PolarHBondContact O-N 3.45Å; I35-V59 WeakPolarHBondContact CA-O 2.91Å; I35-V59 HydrophobicContact CG1-CB 4.4Å; N36-V59 PolarHBondContact N-O 3.32Å; V59-V104 HydrophobicContact CG2-CB 4.34Å; V59-E106 WeakPolarHBondContact CG1-O 3.2Å; V59-L111 HydrophobicContact CB-CD1 4.45Å; V59-L111 HydrophobicContact CG1-CD1 3.51Å; V59-L111 HydrophobicContact CG2-CD1 4.02Å; V59-F118 HydrophobicContact CG2-CE1 3.79Å; V59-F118 HydrophobicContact CG2-CZ 3.97Å
60D98.6Very high97.5Very high0 Ų033.1 Ų33.10%022%0.224CC..  trans-153.3119.1175.8-156.3-28.8000111.8N36 A37 H62 N83 R84 A85 V104 E106N36-D60 VanDerWaalsContact CA-OD2 3.29Å; N36-D60 WeakPolarHBondContact CA-OD2 3.27Å; A37-D60 PolarHBondContact N-OD2 3.31Å; D60-H62 VanDerWaalsContact OD1-CB 3.32Å; D60-H62 WeakPolarHBondContact OD1-CB 3.32Å; D60-H62 IonicContact OD1-CG 3.32Å; D60-H62 PolarHBondContact OD1-N 3.17Å; D60-H62 IonicContact OD1-ND1 3.18Å; D60-H62 PolarHBondContact OD1-ND1 3.5Å; D60-N83 PolarHBondContact O-ND2 3.2Å; D60-R84 IonicContact OD1-CZ 2.66Å; D60-R84 IonicContact OD1-NE 3.96Å; D60-R84 IonicContact OD1-NH2 3.73Å; D60-R84 PolarHBondContact OD1-NH2 3.45Å; D60-R84 VanDerWaalsContact OD1-NH2 3.16Å; D60-R84 IonicContact OD2-CZ 2.81Å; D60-R84 IonicContact OD2-NE 2.89Å; D60-R84 PolarHBondContact OD2-NE 3.11Å; D60-R84 IonicContact OD2-NH2 3.12Å; D60-R84 PolarHBondContact OD2-NH2 3.12Å; D60-A85 HydrophobicContact CB-CB 3.63Å; D60-V104 PolarHBondContact N-O 3.42Å; D60-V104 VanDerWaalsContact N-O 3.16Å; D60-E106 CarbonylContact C-O 3.02Å
61G97.4Very high97.4Very high35 Ų3530.9 Ų30.936%0.36121%0.213SC..  trans-86.6-3.8176.500000114.3E106G61-E106 PolarHBondContact N-O 3.01Å; G61-E106 VanDerWaalsContact N-O 3.16Å
62H97.8Very high97.4Very high98 Ų9830.7 Ų30.745%0.45421%0.211SC..PPolyproline II helixtrans-86.1153.4-175.8-58.285.3000112.3D60 R84D60-H62 VanDerWaalsContact OD1-CB 3.32Å; D60-H62 WeakPolarHBondContact OD1-CB 3.32Å; D60-H62 IonicContact OD1-CG 3.32Å; D60-H62 PolarHBondContact OD1-N 3.17Å; D60-H62 IonicContact OD1-ND1 3.18Å; D60-H62 PolarHBondContact OD1-ND1 3.5Å; H62-R84 PolarHBondContact ND1-NH2 3.35Å; H62-R84 WeakPolarHBondContact O-CB 3.46Å; H62-R84 PolarHBondContact O-N 2.81Å
63T98.1Very high97.4Very high91 Ų9138 Ų3856%0.55824%0.243SC*.BIsolated β-bridgetrans-90.8145.5169.255.20000110.6A65 K82T63-A65 PolarHBondContact O-N 3.14Å; T63-K82 CarbonylContact C-O 3.5Å; T63-K82 VanDerWaalsContact CA-O 3.24Å; T63-K82 WeakPolarHBondContact CA-O 3.32Å
64V98.1Very high97.4Very high3 Ų338.3 Ų38.32%0.01824%0.244CC..PPolyproline II helixtrans-61.4120.3176179.20000110.6D68 V69 L75 S79 I80 G81 K82 R84 A87V64-D68 HydrophobicContact CG1-CB 4.29Å; V64-V69 HydrophobicContact CG1-CG2 3.6Å; V64-L75 HydrophobicContact CG1-CD1 4.27Å; V64-L75 HydrophobicContact CG2-CD1 4.37Å; V64-L75 HydrophobicContact CG2-CD2 3.87Å; V64-S79 VanDerWaalsContact CB-O 3.29Å; V64-S79 WeakPolarHBondContact CB-O 3.45Å; V64-I80 HydrophobicContact CG1-CG1 4.43Å; V64-G81 PolarHBondContact O-N 3.07Å; V64-K82 PolarHBondContact N-O 3.32Å; V64-R84 HydrophobicContact CG2-CB 3.97Å; V64-R84 HydrophobicContact CG2-CG 4.15Å; V64-A87 HydrophobicContact CG2-CB 4.17Å
65A95.7Very high97.3Very high40 Ų4037.8 Ų37.833%0.33124%0.236SC..PPolyproline II helixtrans-96.3170.1172.100000111.6T63 E67 D68 V69T63-A65 PolarHBondContact O-N 3.14Å; A65-E67 VanDerWaalsContact C-N 3.29Å; A65-E67 HydrophobicContact CB-CG 4.28Å; A65-E67 PolarHBondContact O-N 3.41Å; A65-D68 WeakPolarHBondContact CA-OD2 3.4Å; A65-D68 WeakPolarHBondContact CB-OD2 3.37Å; A65-D68 PolarHBondContact N-OD2 2.69Å; A65-D68 PolarHBondContact O-N 2.91Å; A65-V69 PolarHBondContact O-N 3.35Å
66G95.1Very high97.1Very high50 Ų5039.1 Ų39.152%0.51525%0.245SC..Hα-helixtrans-63.1-34178.200000113.4V69 G70G66-V69 PolarHBondContact O-N 2.91Å; G66-G70 PolarHBondContact O-N 3.05Å
67E93.3Very high97Very high129 Ų12943.2 Ų43.260%0.60327%0.273SS*.Hα-helixtrans-66.1-38.917663.6-177.5-158.200112.3A65 V69 G70 N71 K445A65-E67 VanDerWaalsContact C-N 3.29Å; A65-E67 HydrophobicContact CB-CG 4.28Å; A65-E67 PolarHBondContact O-N 3.41Å; E67-V69 VanDerWaalsContact C-N 3.33Å; E67-V69 PolarHBondContact O-N 2.92Å; E67-G70 PolarHBondContact O-N 3.4Å; E67-N71 PolarHBondContact O-N 2.97Å; E67-N71 PolarHBondContact O-OD1 2.63Å; E67-K445 IonicContact OE1-NZ 3.09Å
68D96.1Very high96.8Very high12 Ų1249 Ų496%0.06430%0.304CS..Hα-helixtrans-61.5-41.9177.9-60.5-72.4000110.9V64 A65 G70 N71 N72 L75 R84V64-D68 HydrophobicContact CG1-CB 4.29Å; A65-D68 WeakPolarHBondContact CA-OD2 3.4Å; A65-D68 WeakPolarHBondContact CB-OD2 3.37Å; A65-D68 PolarHBondContact N-OD2 2.69Å; A65-D68 PolarHBondContact O-N 2.91Å; D68-G70 VanDerWaalsContact C-N 3.26Å; D68-G70 PolarHBondContact O-N 2.93Å; D68-N71 PolarHBondContact O-N 2.94Å; D68-N71 PolarHBondContact O-OD1 3.32Å; D68-N71 VanDerWaalsContact O-OD1 3.09Å; D68-N72 WeakPolarHBondContact O-CB 3.1Å; D68-N72 PolarHBondContact O-N 3.27Å; D68-L75 HydrophobicContact CB-CD1 3.7Å; D68-R84 IonicContact OD1-CZ 2.77Å; D68-R84 IonicContact OD1-NH1 3.39Å; D68-R84 PolarHBondContact OD1-NH1 2.92Å
69V95.9Very high96.7Very high33 Ų3349.3 Ų49.320%0.231%0.306CS..Hα-helixtrans-67.9-29.7176.7178.70000111.8V64 A65 G66 E67 N71 L75 S76 I80V64-V69 HydrophobicContact CG1-CG2 3.6Å; A65-V69 PolarHBondContact O-N 3.35Å; G66-V69 PolarHBondContact O-N 2.91Å; E67-V69 VanDerWaalsContact C-N 3.33Å; E67-V69 PolarHBondContact O-N 2.92Å; V69-N71 VanDerWaalsContact C-N 3.33Å; V69-L75 HydrophobicContact CG2-CB 4.34Å; V69-S76 VanDerWaalsContact CG2-O 3.26Å; V69-S76 WeakPolarHBondContact CG2-O 3.48Å; V69-I80 HydrophobicContact CG2-CD1 4.24Å; V69-I80 HydrophobicContact CG2-CG1 3.66Å
70G94.8Very high96.7Very high71 Ų7153.7 Ų53.773%0.73233%0.329SS*.Hα-helixtrans-71.8-25.2-179.300000114G66 E67 D68G66-G70 PolarHBondContact O-N 3.05Å; E67-G70 PolarHBondContact O-N 3.4Å; D68-G70 VanDerWaalsContact C-N 3.26Å; D68-G70 PolarHBondContact O-N 2.93Å
71N96.4Very high96.6Very high35 Ų3556.3 Ų56.319%0.18736%0.356CS..Hα-helixtrans-124.10.1-175.578.5-19.9000114.8A39 E67 D68 V69 E491 H493A39-N71 VanDerWaalsContact CB-O 3.29Å; A39-N71 WeakPolarHBondContact CB-O 3.4Å; E67-N71 PolarHBondContact O-N 2.97Å; E67-N71 PolarHBondContact O-OD1 2.63Å; D68-N71 PolarHBondContact O-N 2.94Å; D68-N71 PolarHBondContact O-OD1 3.32Å; D68-N71 VanDerWaalsContact O-OD1 3.09Å; V69-N71 VanDerWaalsContact C-N 3.33Å; N71-E491 PolarHBondContact ND2-O 3.47Å; N71-E491 PolarHBondContact ND2-OE2 3.11Å; N71-H493 PolarHBondContact O-ND1 2.89Å
72N98.3Very high96.6Very high6 Ų659.1 Ų59.13%0.03236%0.358CS..  trans-116.6119.9-178.4-165-33000111.8A37 T38 T42 D68 F74 L75A37-N72 PolarHBondContact O-ND2 2.92Å; T38-N72 PolarHBondContact O-ND2 3.28Å; T42-N72 WeakPolarHBondContact CG2-ND2 2.99Å; T42-N72 VanDerWaalsContact OG1-CG 3.3Å; T42-N72 PolarHBondContact OG1-ND2 3.49Å; T42-N72 PolarHBondContact OG1-OD1 2.88Å; D68-N72 WeakPolarHBondContact O-CB 3.1Å; D68-N72 PolarHBondContact O-N 3.27Å; N72-F74 PolarHBondContact O-N 3.28Å; N72-F74 WeakPolarHBondContact OD1-CA 3.5Å; N72-F74 PolarHBondContact OD1-N 2.75Å; N72-L75 HydrophobicContact CB-CB 4.2Å; N72-L75 HydrophobicContact CB-CD1 3.91Å; N72-L75 HydrophobicContact CB-CG 4.12Å; N72-L75 PolarHBondContact O-N 2.89Å
73F97.9Very high96.7Very high157 Ų15755.3 Ų55.369%0.68934%0.341SS*.THydrogen-bonded Turntrans-66.3-22178.5-170.5-99.3000113.3
74F98.3Very high96.7Very high5 Ų551.9 Ų51.92%0.02232%0.318CS..THydrogen-bonded Turntrans-103.424.1-177.9-59.3-82.5000112.4T42 K46 N72 L91 L92 L95T42-F74 HydrophobicContact CG2-CB 4.14Å; K46-F74 HydrophobicContact CB-CE2 3.84Å; K46-F74 HydrophobicContact CB-CZ 3.76Å; K46-F74 HydrophobicContact CD-CE2 3.98Å; K46-F74 HydrophobicContact CD-CZ 3.76Å; K46-F74 HydrophobicContact CG-CE2 4.17Å; K46-F74 HydrophobicContact CG-CZ 3.73Å; N72-F74 PolarHBondContact O-N 3.28Å; N72-F74 WeakPolarHBondContact OD1-CA 3.5Å; N72-F74 PolarHBondContact OD1-N 2.75Å; F74-L91 VanDerWaalsContact C-CD1 3.45Å; F74-L91 HydrophobicContact CB-CB 4.33Å; F74-L91 HydrophobicContact CD1-CB 4.14Å; F74-L91 WeakPolarHBondContact O-CD1 3.4Å; F74-L92 HydrophobicContact CB-CG 4.39Å; F74-L92 HydrophobicContact CD1-CD2 3.68Å; F74-L92 HydrophobicContact CD1-CG 3.86Å; F74-L92 HydrophobicContact CD2-CD2 4.11Å; F74-L92 HydrophobicContact CE1-CD2 3.7Å; F74-L92 HydrophobicContact CE1-CG 4.33Å; F74-L92 HydrophobicContact CE2-CD2 4.1Å; F74-L92 HydrophobicContact CG-CD2 3.89Å; F74-L92 HydrophobicContact CG-CG 4.04Å; F74-L92 HydrophobicContact CZ-CD2 3.9Å; F74-L95 HydrophobicContact CE1-CD1 3.7Å; F74-L95 HydrophobicContact CE1-CD2 4.08Å; F74-L95 HydrophobicContact CE1-CG 4.04Å; F74-L95 HydrophobicContact CZ-CD1 3.87Å; F74-L95 HydrophobicContact CZ-CD2 4.47Å
75L97.7Very high96.7Very high9 Ų951.8 Ų51.85%0.04732%0.317CS..  trans-135.5135.8169.3-64.1173.7000109.5V64 D68 V69 N72 R84 A87 A88V64-L75 HydrophobicContact CG1-CD1 4.27Å; V64-L75 HydrophobicContact CG2-CD1 4.37Å; V64-L75 HydrophobicContact CG2-CD2 3.87Å; D68-L75 HydrophobicContact CB-CD1 3.7Å; V69-L75 HydrophobicContact CG2-CB 4.34Å; N72-L75 HydrophobicContact CB-CB 4.2Å; N72-L75 HydrophobicContact CB-CD1 3.91Å; N72-L75 HydrophobicContact CB-CG 4.12Å; N72-L75 PolarHBondContact O-N 2.89Å; L75-R84 HydrophobicContact CD1-CG 4.04Å; L75-R84 HydrophobicContact CD2-CG 4.46Å; L75-A87 HydrophobicContact CD2-CB 3.72Å; L75-A88 HydrophobicContact CD2-CB 4.32Å
76S95.1Very high96.8Very high44 Ų4452.5 Ų52.531%0.30831%0.314SS..  trans-107.6164.6179.876.40000111.3V69 N78 S79V69-S76 VanDerWaalsContact CG2-O 3.26Å; V69-S76 WeakPolarHBondContact CG2-O 3.48Å; S76-N78 PolarHBondContact O-N 2.85Å; S76-N78 PolarHBondContact OG-N 2.89Å; S76-S79 PolarHBondContact N-OG 3.33Å; S76-S79 WeakPolarHBondContact O-CA 3.46Å; S76-S79 WeakPolarHBondContact O-CB 3.32Å; S76-S79 PolarHBondContact O-N 3.19Å; S76-S79 PolarHBondContact O-OG 3.37Å; S76-S79 PolarHBondContact OG-N 3.44Å; S76-S79 PolarHBondContact OG-OG 2.91Å; S76-S79 VanDerWaalsContact OG-OG 3.06Å
77S95.8Very high97Very high85 Ų8550.1 Ų50.159%0.59429%0.289SS*.G310 helixtrans-57.6-29.7172.552.60000113S79 I80S77-S79 PolarHBondContact O-N 3.06Å; S77-I80 WeakPolarHBondContact O-CG1 3.42Å; S77-I80 PolarHBondContact O-N 3.29Å
78N95.9Very high97.2Very high127 Ų12744 Ų4468%0.67926%0.261SS*.G310 helixtrans-73.9-10.9175.2-64.8-26.4000113.3S76 K82S76-N78 PolarHBondContact O-N 2.85Å; S76-N78 PolarHBondContact OG-N 2.89Å; N78-K82 WeakPolarHBondContact O-CE 3.47Å
79S95.9Very high97.4Very high6 Ų643.8 Ų43.84%0.04226%0.26CS..G310 helixtrans-84.9-16.1177.7-51.60000112.2V64 S76 S77 G81 K82V64-S79 VanDerWaalsContact CB-O 3.29Å; V64-S79 WeakPolarHBondContact CB-O 3.45Å; S76-S79 PolarHBondContact N-OG 3.33Å; S76-S79 WeakPolarHBondContact O-CA 3.46Å; S76-S79 WeakPolarHBondContact O-CB 3.32Å; S76-S79 PolarHBondContact O-N 3.19Å; S76-S79 PolarHBondContact O-OG 3.37Å; S76-S79 PolarHBondContact OG-N 3.44Å; S76-S79 PolarHBondContact OG-OG 2.91Å; S76-S79 VanDerWaalsContact OG-OG 3.06Å; S77-S79 PolarHBondContact O-N 3.06Å; S79-G81 PolarHBondContact O-N 3.4Å; S79-K82 VanDerWaalsContact O-CB 3.26Å; S79-K82 WeakPolarHBondContact O-CB 3.46Å; S79-K82 PolarHBondContact O-N 3.12Å
80I97.8Very high97.4Very high92 Ų9246.5 Ų46.547%0.47227%0.27SS..THydrogen-bonded Turntrans-54.5128.1-178.9-62.6174.7000110.4V64 V69 S77 K82V64-I80 HydrophobicContact CG1-CG1 4.43Å; V69-I80 HydrophobicContact CG2-CD1 4.24Å; V69-I80 HydrophobicContact CG2-CG1 3.66Å; S77-I80 WeakPolarHBondContact O-CG1 3.42Å; S77-I80 PolarHBondContact O-N 3.29Å; I80-K82 VanDerWaalsContact C-N 3.3Å; I80-K82 PolarHBondContact O-N 2.71Å
81G97.3Very high97.6Very high55 Ų5545.6 Ų45.657%0.56725%0.248SC*.THydrogen-bonded Turntrans83.6-9.4-177.600000115.4V64 S79V64-G81 PolarHBondContact O-N 3.07Å; S79-G81 PolarHBondContact O-N 3.4Å
82K97.9Very high97.7Very high93 Ų9343.9 Ų43.940%0.40424%0.239SC..SBendtrans-81.2165.8170-57.2-174.5-176.6176.50111.1T63 V64 N78 S79 I80 R84T63-K82 CarbonylContact C-O 3.5Å; T63-K82 VanDerWaalsContact CA-O 3.24Å; T63-K82 WeakPolarHBondContact CA-O 3.32Å; V64-K82 PolarHBondContact N-O 3.32Å; N78-K82 WeakPolarHBondContact O-CE 3.47Å; S79-K82 VanDerWaalsContact O-CB 3.26Å; S79-K82 WeakPolarHBondContact O-CB 3.46Å; S79-K82 PolarHBondContact O-N 3.12Å; I80-K82 VanDerWaalsContact C-N 3.3Å; I80-K82 PolarHBondContact O-N 2.71Å; K82-R84 PolarHBondContact O-N 3.14Å
83N98.5Very high97.6Very high18 Ų1846.4 Ų46.410%0.09625%0.251CS..BIsolated β-bridgetrans-62.5134.3170.5177.9-83.3000110.6D60 A85 Q86 A87 E105D60-N83 PolarHBondContact O-ND2 3.2Å; N83-A85 WeakPolarHBondContact OD1-CA 3.48Å; N83-A85 WeakPolarHBondContact OD1-CB 3.47Å; N83-A85 PolarHBondContact OD1-N 3.16Å; N83-Q86 HydrophobicContact CB-CB 4.14Å; N83-Q86 PolarHBondContact OD1-N 3.36Å; N83-A87 WeakPolarHBondContact O-CB 3.31Å; N83-A87 PolarHBondContact O-N 2.8Å; N83-A87 VanDerWaalsContact O-N 3.07Å; N83-E105 HydrophobicContact CB-CG 4.07Å
84R98.4Very high97.7Very high20 Ų2046.2 Ų46.28%0.07525%0.252CS..Hα-helixtrans-71.7-36.9-175-169.8168.662-170.2-4112.8A37 D60 H62 V64 D68 L75 K82 A88A37-R84 HydrophobicContact CB-CG 4.08Å; A37-R84 WeakPolarHBondContact O-CD 3.42Å; D60-R84 IonicContact OD1-CZ 2.66Å; D60-R84 IonicContact OD1-NE 3.96Å; D60-R84 IonicContact OD1-NH2 3.73Å; D60-R84 PolarHBondContact OD1-NH2 3.45Å; D60-R84 VanDerWaalsContact OD1-NH2 3.16Å; D60-R84 IonicContact OD2-CZ 2.81Å; D60-R84 IonicContact OD2-NE 2.89Å; D60-R84 PolarHBondContact OD2-NE 3.11Å; D60-R84 IonicContact OD2-NH2 3.12Å; D60-R84 PolarHBondContact OD2-NH2 3.12Å; H62-R84 PolarHBondContact ND1-NH2 3.35Å; H62-R84 WeakPolarHBondContact O-CB 3.46Å; H62-R84 PolarHBondContact O-N 2.81Å; V64-R84 HydrophobicContact CG2-CB 3.97Å; V64-R84 HydrophobicContact CG2-CG 4.15Å; D68-R84 IonicContact OD1-CZ 2.77Å; D68-R84 IonicContact OD1-NH1 3.39Å; D68-R84 PolarHBondContact OD1-NH1 2.92Å; L75-R84 HydrophobicContact CD1-CG 4.04Å; L75-R84 HydrophobicContact CD2-CG 4.46Å; K82-R84 PolarHBondContact O-N 3.14Å; R84-A88 VanDerWaalsContact O-CB 3.29Å; R84-A88 WeakPolarHBondContact O-CB 3.41Å; R84-A88 PolarHBondContact O-N 3.22Å
85A98.6Very high97.6Very high0 Ų048.8 Ų48.80%027%0.266CS..Hα-helixtrans-64.6-45.5175.500000111.6I58 D60 N83 T89 F103I58-A85 HydrophobicContact CB-CB 3.98Å; I58-A85 HydrophobicContact CG2-CB 3.66Å; D60-A85 HydrophobicContact CB-CB 3.63Å; N83-A85 WeakPolarHBondContact OD1-CA 3.48Å; N83-A85 WeakPolarHBondContact OD1-CB 3.47Å; N83-A85 PolarHBondContact OD1-N 3.16Å; A85-T89 VanDerWaalsContact O-CB 3.3Å; A85-T89 WeakPolarHBondContact O-CB 3.45Å; A85-T89 PolarHBondContact O-N 3.18Å; A85-T89 PolarHBondContact O-OG1 3.11Å; A85-F103 HydrophobicContact CB-CB 3.86Å
86Q98.6Very high97.7Very high56 Ų5648.5 Ų48.526%0.26226%0.264SS..Hα-helixtrans-57.3-57175.6-180-174.511.200110.7N83 A88 T89 E90 F103 E105N83-Q86 HydrophobicContact CB-CB 4.14Å; N83-Q86 PolarHBondContact OD1-N 3.36Å; Q86-A88 VanDerWaalsContact C-N 3.34Å; Q86-A88 PolarHBondContact O-N 3.26Å; Q86-T89 PolarHBondContact O-N 2.92Å; Q86-T89 VanDerWaalsContact O-N 3.17Å; Q86-E90 PolarHBondContact NE2-OE1 3.48Å; Q86-E90 VanDerWaalsContact NE2-OE1 3.16Å; Q86-E90 WeakPolarHBondContact O-CG 3.39Å; Q86-E90 PolarHBondContact O-N 2.97Å; Q86-E90 VanDerWaalsContact O-N 3.09Å; Q86-F103 HydrophobicContact CB-CD1 4.49Å; Q86-F103 HydrophobicContact CB-CD2 3.94Å; Q86-F103 HydrophobicContact CB-CE1 4.26Å; Q86-F103 HydrophobicContact CB-CE2 3.69Å; Q86-F103 HydrophobicContact CB-CG 4.34Å; Q86-F103 HydrophobicContact CB-CZ 3.87Å; Q86-F103 HydrophobicContact CG-CE1 3.97Å; Q86-F103 HydrophobicContact CG-CE2 3.94Å; Q86-F103 HydrophobicContact CG-CZ 3.6Å; Q86-E105 PolarHBondContact OE1-OE1 2.97Å
87A98.3Very high97.7Very high0 Ų051.4 Ų51.40%029%0.285CS..Hα-helixtrans-61.5-40.3-174.300000112.9V64 L75 N83V64-A87 HydrophobicContact CG2-CB 4.17Å; L75-A87 HydrophobicContact CD2-CB 3.72Å; N83-A87 WeakPolarHBondContact O-CB 3.31Å; N83-A87 PolarHBondContact O-N 2.8Å; N83-A87 VanDerWaalsContact O-N 3.07Å
88A98.5Very high97.7Very high0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-68.5-39.5176.700000112A37 T42 I58 L75 R84 Q86 E90 L91 L92A37-A88 HydrophobicContact CB-CB 3.59Å; T42-A88 HydrophobicContact CG2-CB 3.95Å; I58-A88 HydrophobicContact CD1-CB 4.09Å; L75-A88 HydrophobicContact CD2-CB 4.32Å; R84-A88 VanDerWaalsContact O-CB 3.29Å; R84-A88 WeakPolarHBondContact O-CB 3.41Å; R84-A88 PolarHBondContact O-N 3.22Å; Q86-A88 VanDerWaalsContact C-N 3.34Å; Q86-A88 PolarHBondContact O-N 3.26Å; A88-E90 VanDerWaalsContact C-N 3.34Å; A88-E90 PolarHBondContact O-N 2.86Å; A88-L91 PolarHBondContact O-N 3.4Å; A88-L92 WeakPolarHBondContact O-CB 3.41Å; A88-L92 WeakPolarHBondContact O-CG 3.34Å; A88-L92 PolarHBondContact O-N 3.39Å
89T98.7Very high97.8Very high8 Ų843.5 Ų43.55%0.04924%0.236CC..Hα-helixtrans-61.5-43178.6-60.50000111.3F56 I58 A85 Q86 L91 L92 Q93 F103F56-T89 HydrophobicContact CE2-CG2 3.92Å; F56-T89 HydrophobicContact CZ-CG2 4.2Å; I58-T89 WeakPolarHBondContact CD1-OG1 3.3Å; A85-T89 VanDerWaalsContact O-CB 3.3Å; A85-T89 WeakPolarHBondContact O-CB 3.45Å; A85-T89 PolarHBondContact O-N 3.18Å; A85-T89 PolarHBondContact O-OG1 3.11Å; Q86-T89 PolarHBondContact O-N 2.92Å; Q86-T89 VanDerWaalsContact O-N 3.17Å; T89-L91 VanDerWaalsContact C-N 3.35Å; T89-L91 PolarHBondContact O-N 3.1Å; T89-L92 PolarHBondContact O-N 3.07Å; T89-Q93 WeakPolarHBondContact O-CB 3.2Å; T89-Q93 PolarHBondContact O-N 2.91Å; T89-F103 HydrophobicContact CG2-CD1 4.06Å
90E97.6Very high98Very high90 Ų9046 Ų4642%0.42125%0.254SS..Hα-helixtrans-54.2-48.9178.4-72.2171.8-174.800111.7Q86 A88Q86-E90 PolarHBondContact NE2-OE1 3.48Å; Q86-E90 VanDerWaalsContact NE2-OE1 3.16Å; Q86-E90 WeakPolarHBondContact O-CG 3.39Å; Q86-E90 PolarHBondContact O-N 2.97Å; Q86-E90 VanDerWaalsContact O-N 3.09Å; A88-E90 VanDerWaalsContact C-N 3.34Å; A88-E90 PolarHBondContact O-N 2.86Å
91L97.8Very high98Very high51 Ų5142.4 Ų42.427%0.26724%0.239SC..Hα-helixtrans-78.4-36.2-177.7-66.9178000113.2F74 A88 T89 Q93 E94F74-L91 VanDerWaalsContact C-CD1 3.45Å; F74-L91 HydrophobicContact CB-CB 4.33Å; F74-L91 HydrophobicContact CD1-CB 4.14Å; F74-L91 WeakPolarHBondContact O-CD1 3.4Å; A88-L91 PolarHBondContact O-N 3.4Å; T89-L91 VanDerWaalsContact C-N 3.35Å; T89-L91 PolarHBondContact O-N 3.1Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 3.42Å; L91-E94 WeakPolarHBondContact CD2-OE1 3.41Å; L91-E94 WeakPolarHBondContact O-CB 3.4Å; L91-E94 PolarHBondContact O-N 3.31Å
92L98.4Very high98.1Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-65.2-34.6175.7-77.3165.7000111.8T42 L45 K46 F56 I58 F74 A88 T89 E94 L95T42-L92 HydrophobicContact CG2-CD1 4.33Å; L45-L92 HydrophobicContact CB-CD1 4.1Å; L45-L92 HydrophobicContact CD2-CD1 3.61Å; L45-L92 HydrophobicContact CG-CD1 4.07Å; K46-L92 HydrophobicContact CB-CD2 4.21Å; F56-L92 HydrophobicContact CZ-CB 4.09Å; I58-L92 HydrophobicContact CD1-CD1 3.9Å; F74-L92 HydrophobicContact CB-CG 4.39Å; F74-L92 HydrophobicContact CD1-CD2 3.68Å; F74-L92 HydrophobicContact CD1-CG 3.86Å; F74-L92 HydrophobicContact CD2-CD2 4.11Å; F74-L92 HydrophobicContact CE1-CD2 3.7Å; F74-L92 HydrophobicContact CE1-CG 4.33Å; F74-L92 HydrophobicContact CE2-CD2 4.1Å; F74-L92 HydrophobicContact CG-CD2 3.89Å; F74-L92 HydrophobicContact CG-CG 4.04Å; F74-L92 HydrophobicContact CZ-CD2 3.9Å; A88-L92 WeakPolarHBondContact O-CB 3.41Å; A88-L92 WeakPolarHBondContact O-CG 3.34Å; A88-L92 PolarHBondContact O-N 3.39Å; T89-L92 PolarHBondContact O-N 3.07Å; L92-E94 PolarHBondContact O-N 3.44Å; L92-L95 HydrophobicContact CD2-CD1 3.88Å; L92-L95 VanDerWaalsContact O-CB 3.31Å; L92-L95 WeakPolarHBondContact O-CB 3.41Å; L92-L95 WeakPolarHBondContact O-CG 3.34Å; L92-L95 PolarHBondContact O-N 3.08Å; L92-L95 VanDerWaalsContact O-N 3.13Å
93Q97.6Very high98.1Very high58 Ų5842.5 Ų42.527%0.27123%0.227SC..Hα-helixtrans-62.6-27.1178.3-174.662.17800112.8T89 L91 L95 N96 V99 G101T89-Q93 WeakPolarHBondContact O-CB 3.2Å; T89-Q93 PolarHBondContact O-N 2.91Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 3.42Å; Q93-L95 VanDerWaalsContact C-N 3.25Å; Q93-L95 PolarHBondContact O-N 3.24Å; Q93-N96 PolarHBondContact NE2-O 2.81Å; Q93-V99 PolarHBondContact NE2-O 3.38Å; Q93-V99 PolarHBondContact OE1-O 3.17Å; Q93-G101 VanDerWaalsContact OE1-CA 3.26Å
94E98Very high98.1Very high153 Ų15343.1 Ų43.172%0.71523%0.231SC*.THydrogen-bonded Turntrans-67.8-24.7176.8-62-175-144.900112.9L91 L92 N96L91-E94 WeakPolarHBondContact CD2-OE1 3.41Å; L91-E94 WeakPolarHBondContact O-CB 3.4Å; L91-E94 PolarHBondContact O-N 3.31Å; L92-E94 PolarHBondContact O-N 3.44Å; E94-N96 VanDerWaalsContact C-N 3.29Å; E94-N96 PolarHBondContact O-N 3.08Å
95L98.1Very high98.1Very high60 Ų6047.1 Ų47.131%0.31425%0.251SS..THydrogen-bonded Turntrans-65.3-34-177.9-64.7178000112.6K46 V49 L50 F74 L92 Q93K46-L95 HydrophobicContact CB-CD1 4.11Å; K46-L95 HydrophobicContact CG-CD1 3.81Å; V49-L95 HydrophobicContact CB-CD1 4.41Å; V49-L95 HydrophobicContact CG1-CB 3.78Å; V49-L95 HydrophobicContact CG1-CD1 4.33Å; L50-L95 HydrophobicContact CD2-CB 4.27Å; L50-L95 HydrophobicContact CD2-CD2 4.48Å; F74-L95 HydrophobicContact CE1-CD1 3.7Å; F74-L95 HydrophobicContact CE1-CD2 4.08Å; F74-L95 HydrophobicContact CE1-CG 4.04Å; F74-L95 HydrophobicContact CZ-CD1 3.87Å; F74-L95 HydrophobicContact CZ-CD2 4.47Å; L92-L95 HydrophobicContact CD2-CD1 3.88Å; L92-L95 VanDerWaalsContact O-CB 3.31Å; L92-L95 WeakPolarHBondContact O-CB 3.41Å; L92-L95 WeakPolarHBondContact O-CG 3.34Å; L92-L95 PolarHBondContact O-N 3.08Å; L92-L95 VanDerWaalsContact O-N 3.13Å; Q93-L95 VanDerWaalsContact C-N 3.25Å; Q93-L95 PolarHBondContact O-N 3.24Å
96N97.8Very high97.9Very high3 Ų350.6 Ų50.62%0.01627%0.267CS..  trans-156.2107-174.8-166.5-15.3000112K11 Y12 V49 L50 Q93 E94 D98 V99K11-N96 PolarHBondContact NZ-ND2 2.98Å; K11-N96 PolarHBondContact NZ-OD1 2.98Å; Y12-N96 PolarHBondContact OH-ND2 3.38Å; V49-N96 HydrophobicContact CG1-CB 3.65Å; V49-N96 WeakPolarHBondContact O-CB 3.37Å; V49-N96 PolarHBondContact O-ND2 2.96Å; L50-N96 PolarHBondContact O-ND2 3.11Å; Q93-N96 PolarHBondContact NE2-O 2.81Å; E94-N96 VanDerWaalsContact C-N 3.29Å; E94-N96 PolarHBondContact O-N 3.08Å; N96-D98 PolarHBondContact O-N 2.64Å; N96-D98 WeakPolarHBondContact OD1-CB 3.49Å; N96-D98 PolarHBondContact OD1-N 3.13Å; N96-D98 PolarHBondContact OD1-OD2 3.18Å; N96-V99 HydrophobicContact CB-CB 4.44Å; N96-V99 HydrophobicContact CB-CG2 3.76Å; N96-V99 PolarHBondContact O-N 3.23Å
97S96.2Very high97.8Very high105 Ų10549.3 Ų49.373%0.73426%0.264SS*.THydrogen-bonded Turntrans-68.2-10.3177.357.30000115.1V99S97-V99 VanDerWaalsContact C-N 3.31Å
98D96.3Very high97.6Very high40 Ų4049.6 Ų49.621%0.21427%0.266CS..THydrogen-bonded Turntrans-84-9.1175.7-58.3-51.1000112.4A3 K11 Y12 N96A3-D98 WeakPolarHBondContact CB-OD1 3.49Å; K11-D98 IonicContact NZ-OD2 2.66Å; K11-D98 PolarHBondContact NZ-OD2 3.11Å; Y12-D98 PolarHBondContact OH-OD2 3.01Å; N96-D98 PolarHBondContact O-N 2.64Å; N96-D98 WeakPolarHBondContact OD1-CB 3.49Å; N96-D98 PolarHBondContact OD1-N 3.13Å; N96-D98 PolarHBondContact OD1-OD2 3.18Å
99V98.3Very high97.4Very high5 Ų551.8 Ų51.83%0.0328%0.278CS..SBendtrans-101.3139.2-176.9178.50000109.9V49 I53 F56 Q93 N96 S97V49-V99 HydrophobicContact CG1-CB 4.3Å; V49-V99 HydrophobicContact CG1-CG1 4.4Å; V49-V99 HydrophobicContact CG1-CG2 4.12Å; V49-V99 HydrophobicContact CG2-CG1 4.31Å; I53-V99 HydrophobicContact CG2-CG1 3.74Å; I53-V99 HydrophobicContact CG2-CG2 4.46Å; I53-V99 VanDerWaalsContact O-CG1 3.26Å; I53-V99 WeakPolarHBondContact O-CG1 3.19Å; I53-V99 WeakPolarHBondContact O-CG2 3.46Å; F56-V99 HydrophobicContact CD1-CG1 3.62Å; F56-V99 HydrophobicContact CE1-CG1 3.83Å; Q93-V99 PolarHBondContact NE2-O 3.38Å; Q93-V99 PolarHBondContact OE1-O 3.17Å; N96-V99 HydrophobicContact CB-CB 4.44Å; N96-V99 HydrophobicContact CB-CG2 3.76Å; N96-V99 PolarHBondContact O-N 3.23Å; S97-V99 VanDerWaalsContact C-N 3.31Å
100S98.6Very high97.3Very high60 Ų6057.1 Ų57.142%0.4230%0.3SS..EExtended strand (participates in β ladder)trans-96.8108.7174-174.20000112G54 A55 F56G54-S100 PolarHBondContact O-N 2.83Å; A55-S100 CarbonylContact C-O 3.57Å; A55-S100 WeakPolarHBondContact CA-O 3.38Å; A55-S100 WeakPolarHBondContact CB-O 3.39Å; F56-S100 PolarHBondContact N-O 3.27Å
101G98.5Very high97.2Very high15 Ų1553.3 Ų53.316%0.15528%0.283CS..EExtended strand (participates in β ladder)trans-92.3133.5174.800000113.2F56 Q93F56-G101 VanDerWaalsContact CE1-CA 3.47Å; Q93-G101 VanDerWaalsContact OE1-CA 3.26Å
102N98.6Very high97.1Very high71 Ų7151.2 Ų51.238%0.3827%0.272SS..EExtended strand (participates in β ladder)trans-134164.6175.4-63.6-82.5000110.3F56 T57 I58F56-N102 PolarHBondContact O-N 3.22Å; T57-N102 CarbonylContact C-O 3.57Å; T57-N102 VanDerWaalsContact CA-O 3.27Å; T57-N102 WeakPolarHBondContact CA-O 3.4Å; T57-N102 HydrophobicContact CG2-CB 4.4Å; I58-N102 PolarHBondContact N-O 2.99Å
103F98.6Very high97Very high80 Ų8056.2 Ų56.235%0.35130%0.298SS..EExtended strand (participates in β ladder)trans-144.9160.5174.861.8-89.8000112.9I58 A85 Q86 T89 E105I58-F103 HydrophobicContact CB-CB 4.5Å; I58-F103 CarbonylContact O-C 3.47Å; I58-F103 WeakPolarHBondContact O-CA 3.2Å; A85-F103 HydrophobicContact CB-CB 3.86Å; Q86-F103 HydrophobicContact CB-CD1 4.49Å; Q86-F103 HydrophobicContact CB-CD2 3.94Å; Q86-F103 HydrophobicContact CB-CE1 4.26Å; Q86-F103 HydrophobicContact CB-CE2 3.69Å; Q86-F103 HydrophobicContact CB-CG 4.34Å; Q86-F103 HydrophobicContact CB-CZ 3.87Å; Q86-F103 HydrophobicContact CG-CE1 3.97Å; Q86-F103 HydrophobicContact CG-CE2 3.94Å; Q86-F103 HydrophobicContact CG-CZ 3.6Å; T89-F103 HydrophobicContact CG2-CD1 4.06Å; F103-E105 HydrophobicContact CD2-CG 3.84Å; F103-E105 HydrophobicContact CE2-CG 3.82Å; F103-E105 WeakPolarHBondContact CE2-OE1 3.1Å
104V98.4Very high96.9Very high31 Ų3159.2 Ų59.219%0.18832%0.317CS..EExtended strand (participates in β ladder)trans-131.8122.7172.4-178.40000108.6T57 I58 V59 D60 E106 L111 F118T57-V104 HydrophobicContact CG2-CG2 4.06Å; I58-V104 PolarHBondContact O-N 3.46Å; V59-V104 HydrophobicContact CG2-CB 4.34Å; D60-V104 PolarHBondContact N-O 3.42Å; D60-V104 VanDerWaalsContact N-O 3.16Å; V104-E106 HydrophobicContact CG1-CB 3.99Å; V104-E106 HydrophobicContact CG1-CG 4.2Å; V104-E106 PolarHBondContact O-N 2.82Å; V104-E106 VanDerWaalsContact O-N 3.07Å; V104-L111 HydrophobicContact CG1-CD1 4.24Å; V104-L111 HydrophobicContact CG1-CD2 4.34Å; V104-F118 HydrophobicContact CG2-CE2 3.95Å; V104-F118 HydrophobicContact CG2-CZ 3.78Å
105E97.7Very high96.8Very high103 Ų10355.5 Ų55.548%0.48130%0.301SS..  trans-8438.6-177.8-53.8-170.617500112.8N83 Q86 F103N83-E105 HydrophobicContact CB-CG 4.07Å; Q86-E105 PolarHBondContact OE1-OE1 2.97Å; F103-E105 HydrophobicContact CD2-CG 3.84Å; F103-E105 HydrophobicContact CE2-CG 3.82Å; F103-E105 WeakPolarHBondContact CE2-OE1 3.1Å
106E95.8Very high96.6Very high74 Ų7455 Ų5535%0.34630%0.302SS..SBendtrans-124.5153.9179.6-65.5-166.3-142.500111.2V59 D60 G61 V104 L111V59-E106 WeakPolarHBondContact CG1-O 3.2Å; D60-E106 CarbonylContact C-O 3.02Å; G61-E106 PolarHBondContact N-O 3.01Å; G61-E106 VanDerWaalsContact N-O 3.16Å; V104-E106 HydrophobicContact CG1-CB 3.99Å; V104-E106 HydrophobicContact CG1-CG 4.2Å; V104-E106 PolarHBondContact O-N 2.82Å; V104-E106 VanDerWaalsContact O-N 3.07Å; E106-L111 HydrophobicContact CB-CD2 4.43Å; E106-L111 HydrophobicContact CB-CG 4.25Å
107S95.2Very high96.5Very high29 Ų2961.3 Ų61.320%0.20333%0.331CS..  trans-73.3149.8171.465.90000110.3D109 K110 L111S107-D109 PolarHBondContact O-N 3.43Å; S107-K110 PolarHBondContact O-N 3.26Å; S107-K110 VanDerWaalsContact O-N 3.14Å; S107-K110 WeakPolarHBondContact OG-CG 3.26Å; S107-K110 PolarHBondContact OG-N 3.49Å; S107-L111 PolarHBondContact O-N 3.38Å
108P94.8Very high96.6Very high5 Ų557.3 Ų57.33%0.03230%0.301CS..Hα-helixtrans-54.8-35.8174.223.1-36.1000112.7I35 K110 L111 L112 L130 T135I35-P108 HydrophobicContact CD1-CB 4.42Å; I35-P108 HydrophobicContact CG2-CB 3.93Å; I35-P108 HydrophobicContact CG2-CG 3.76Å; P108-K110 PolarHBondContact O-N 2.99Å; P108-L111 PolarHBondContact O-N 3.24Å; P108-L112 WeakPolarHBondContact O-CB 3.5Å; P108-L112 VanDerWaalsContact O-CG 3.25Å; P108-L112 WeakPolarHBondContact O-CG 3.47Å; P108-L112 PolarHBondContact O-N 3.33Å; P108-L130 HydrophobicContact CG-CD2 4.16Å; P108-T135 HydrophobicContact CB-CG2 3.86Å; P108-T135 HydrophobicContact CG-CG2 3.62Å
109D95.3Very high96.7Very high47 Ų4755.4 Ų55.425%0.25129%0.291SS..Hα-helixtrans-62.9-41.5178.3-54.9-70.2000112.7S107 L112 D113 T135S107-D109 PolarHBondContact O-N 3.43Å; D109-L112 PolarHBondContact O-N 2.92Å; D109-D113 PolarHBondContact O-N 3.39Å; D109-T135 WeakPolarHBondContact OD1-CB 3.15Å; D109-T135 WeakPolarHBondContact OD1-CG2 3.39Å; D109-T135 PolarHBondContact OD1-OG1 3.41Å; D109-T135 PolarHBondContact OD2-OG1 2.81Å
110K95.6Very high96.7Very high120 Ų12059 Ų5952%0.52231%0.307SS..Hα-helixtrans-65.4-40.3177-75.8-178179.3-178.60111.8S107 P108 D113 N114S107-K110 PolarHBondContact O-N 3.26Å; S107-K110 VanDerWaalsContact O-N 3.14Å; S107-K110 WeakPolarHBondContact OG-CG 3.26Å; S107-K110 PolarHBondContact OG-N 3.49Å; P108-K110 PolarHBondContact O-N 2.99Å; K110-D113 PolarHBondContact O-N 3.32Å; K110-N114 WeakPolarHBondContact O-CB 3.48Å; K110-N114 VanDerWaalsContact O-CG 3.29Å; K110-N114 PolarHBondContact O-N 3.35Å; K110-N114 PolarHBondContact O-ND2 3.43Å
111L95.5Very high96.6Very high10 Ų1062.7 Ų62.75%0.05231%0.312CS..Hα-helixtrans-64.4-43.3174.5-69.9176.3000110.9V59 V104 E106 S107 P108 D113 N114 D115 F118 F119V59-L111 HydrophobicContact CB-CD1 4.45Å; V59-L111 HydrophobicContact CG1-CD1 3.51Å; V59-L111 HydrophobicContact CG2-CD1 4.02Å; V104-L111 HydrophobicContact CG1-CD1 4.24Å; V104-L111 HydrophobicContact CG1-CD2 4.34Å; E106-L111 HydrophobicContact CB-CD2 4.43Å; E106-L111 HydrophobicContact CB-CG 4.25Å; S107-L111 PolarHBondContact O-N 3.38Å; P108-L111 PolarHBondContact O-N 3.24Å; L111-D113 PolarHBondContact O-N 3.22Å; L111-N114 PolarHBondContact O-N 3.37Å; L111-D115 CarbonylContact O-C 3.46Å; L111-D115 WeakPolarHBondContact O-CA 3.43Å; L111-D115 PolarHBondContact O-N 2.86Å; L111-D115 VanDerWaalsContact O-O 3.11Å; L111-F118 HydrophobicContact CD1-CD1 4.13Å; L111-F118 HydrophobicContact CD1-CE1 3.97Å; L111-F118 HydrophobicContact CD1-CZ 4.17Å; L111-F119 HydrophobicContact CB-CE2 4.16Å; L111-F119 HydrophobicContact CB-CZ 4.19Å; L111-F119 HydrophobicContact CD1-CZ 4.15Å
112L95.4Very high96.6Very high6 Ų662.3 Ų62.33%0.03131%0.306CS..Hα-helixtrans-63.6-28.6176-70.6167.4000113.1P108 D109 F119 R138 L139 V142P108-L112 WeakPolarHBondContact O-CB 3.5Å; P108-L112 VanDerWaalsContact O-CG 3.25Å; P108-L112 WeakPolarHBondContact O-CG 3.47Å; P108-L112 PolarHBondContact O-N 3.33Å; D109-L112 PolarHBondContact O-N 2.92Å; L112-F119 HydrophobicContact CD2-CD2 4.22Å; L112-F119 HydrophobicContact CD2-CE2 3.91Å; L112-F119 HydrophobicContact CG-CE2 4.11Å; L112-R138 VanDerWaalsContact CB-CZ 3.49Å; L112-R138 HydrophobicContact CD1-CB 4.47Å; L112-R138 HydrophobicContact CD1-CG 4.15Å; L112-R138 PolarHBondContact O-NH2 2.87Å; L112-L139 HydrophobicContact CD1-CB 4.16Å; L112-L139 HydrophobicContact CD2-CD1 3.96Å; L112-V142 HydrophobicContact CD2-CB 4.42Å; L112-V142 HydrophobicContact CD2-CG2 4Å
113D95.9Very high96.6Very high105 Ų10561.5 Ų61.556%0.56130%0.304SS*.Hα-helixtrans-75.8-41.5175.4-69.9-23.5000112.1D109 K110 L111 R138D109-D113 PolarHBondContact O-N 3.39Å; K110-D113 PolarHBondContact O-N 3.32Å; L111-D113 PolarHBondContact O-N 3.22Å; D113-R138 IonicContact OD1-CZ 3.57Å; D113-R138 IonicContact OD1-NH1 3.43Å; D113-R138 PolarHBondContact OD1-NH1 3.33Å; D113-R138 IonicContact OD1-NH2 3.38Å; D113-R138 PolarHBondContact OD1-NH2 3.26Å
114N96.3Very high96.6Very high122 Ų12257.7 Ų57.765%0.65229%0.287SS*.Hα-helixtrans-95.2-40.8-169.8-64.9-30.7000113.7K110 L111K110-N114 WeakPolarHBondContact O-CB 3.48Å; K110-N114 VanDerWaalsContact O-CG 3.29Å; K110-N114 PolarHBondContact O-N 3.35Å; K110-N114 PolarHBondContact O-ND2 3.43Å; L111-N114 PolarHBondContact O-N 3.37Å
115D95.9Very high96.6Very high74 Ų7456.2 Ų56.240%0.39628%0.278SS..  trans-15175.3-174.4-177.413.3000110.6L111 E117 F118L111-D115 CarbonylContact O-C 3.46Å; L111-D115 WeakPolarHBondContact O-CA 3.43Å; L111-D115 PolarHBondContact O-N 2.86Å; L111-D115 VanDerWaalsContact O-O 3.11Å; D115-E117 PolarHBondContact O-N 3.21Å; D115-E117 PolarHBondContact OD1-N 3.17Å; D115-F118 HydrophobicContact CB-CB 4.46Å; D115-F118 WeakPolarHBondContact O-CB 3.3Å; D115-F118 PolarHBondContact O-N 2.86Å; D115-F118 VanDerWaalsContact O-N 3.17Å; D115-F118 PolarHBondContact OD1-N 2.89Å
116P93.6Very high96.7Very high51 Ų5151.4 Ų51.433%0.33126%0.255SS..G310 helixtrans-62.9-25.2178.625.3-34.2000112.9F118 V142P116-F118 PolarHBondContact O-N 3.47Å; P116-V142 HydrophobicContact CB-CG1 4.23Å; P116-V142 HydrophobicContact CB-CG2 4.44Å
117E96.6Very high96.8Very high134 Ų13447.9 Ų47.963%0.62624%0.239SC*.G310 helixtrans-73.2-13.7179.3-57.2-169.6162.500112.8D115 F119 H120D115-E117 PolarHBondContact O-N 3.21Å; D115-E117 PolarHBondContact OD1-N 3.17Å; E117-F119 PolarHBondContact O-N 3.44Å; E117-H120 VanDerWaalsContact O-CB 3.31Å; E117-H120 WeakPolarHBondContact O-CB 3.46Å; E117-H120 PolarHBondContact O-N 3.24Å
118F97.8Very high97Very high22 Ų2246.5 Ų46.510%0.09623%0.229CC..G310 helixtrans-44.6-38.2171.8172.7-88.9000112.8T57 V59 V104 L111 D115 P116 R121 F122T57-F118 HydrophobicContact CG2-CZ 4.42Å; V59-F118 HydrophobicContact CG2-CE1 3.79Å; V59-F118 HydrophobicContact CG2-CZ 3.97Å; V104-F118 HydrophobicContact CG2-CE2 3.95Å; V104-F118 HydrophobicContact CG2-CZ 3.78Å; L111-F118 HydrophobicContact CD1-CD1 4.13Å; L111-F118 HydrophobicContact CD1-CE1 3.97Å; L111-F118 HydrophobicContact CD1-CZ 4.17Å; D115-F118 HydrophobicContact CB-CB 4.46Å; D115-F118 WeakPolarHBondContact O-CB 3.3Å; D115-F118 PolarHBondContact O-N 2.86Å; D115-F118 VanDerWaalsContact O-N 3.17Å; D115-F118 PolarHBondContact OD1-N 2.89Å; P116-F118 PolarHBondContact O-N 3.47Å; F118-R121 WeakPolarHBondContact O-CD 3.5Å; F118-R121 WeakPolarHBondContact O-CG 3.35Å; F118-R121 PolarHBondContact O-NE 3.33Å; F118-F122 AromaticContact CD1-CE2 3.91Å; F118-F122 HydrophobicContact CD1-CE2 3.91Å; F118-F122 AromaticContact CE1-CE2 3.57Å; F118-F122 HydrophobicContact CE1-CE2 3.57Å; F118-F122 AromaticContact CE1-CZ 3.81Å; F118-F122 HydrophobicContact CE1-CZ 3.81Å; F118-F122 HydrophobicContact CZ-CE2 4.26Å; F118-F122 HydrophobicContact CZ-CZ 4.06Å; F118-F122 WeakPolarHBondContact O-CE2 3.46Å
119F98.1Very high97.1Very high0 Ų048.1 Ų48.10%024%0.236CC..G310 helixtrans-82.3-11.8-176.2-59.1-78.5000114.2I35 L111 L112 E117 R121 F122 V125 L139 L143I35-F119 HydrophobicContact CD1-CE1 3.99Å; I35-F119 HydrophobicContact CD1-CZ 4.46Å; I35-F119 HydrophobicContact CG1-CE1 4.42Å; L111-F119 HydrophobicContact CB-CE2 4.16Å; L111-F119 HydrophobicContact CB-CZ 4.19Å; L111-F119 HydrophobicContact CD1-CZ 4.15Å; L112-F119 HydrophobicContact CD2-CD2 4.22Å; L112-F119 HydrophobicContact CD2-CE2 3.91Å; L112-F119 HydrophobicContact CG-CE2 4.11Å; E117-F119 PolarHBondContact O-N 3.44Å; F119-R121 PolarHBondContact O-N 3.18Å; F119-F122 HydrophobicContact CD1-CE2 4.31Å; F119-F122 WeakPolarHBondContact O-CD2 3.46Å; F119-F122 PolarHBondContact O-N 3.48Å; F119-V125 HydrophobicContact CB-CG2 4.32Å; F119-V125 HydrophobicContact CD1-CG1 4.34Å; F119-V125 HydrophobicContact CD1-CG2 4.35Å; F119-L139 HydrophobicContact CD1-CD1 4.27Å; F119-L139 HydrophobicContact CD2-CD1 3.77Å; F119-L139 HydrophobicContact CE1-CD1 4.37Å; F119-L139 HydrophobicContact CE2-CD1 3.89Å; F119-L139 HydrophobicContact CG-CD1 3.98Å; F119-L139 HydrophobicContact CZ-CD1 4.19Å; F119-L143 HydrophobicContact CB-CD2 3.54Å; F119-L143 HydrophobicContact CG-CD2 4.4Å
120H97.8Very high97.2Very high80 Ų8046.3 Ų46.337%0.3723%0.227SC..G310 helixtrans-68.4-19.8-177.8-61.5174.5000113.3E117 F122 A146E117-H120 VanDerWaalsContact O-CB 3.31Å; E117-H120 WeakPolarHBondContact O-CB 3.46Å; E117-H120 PolarHBondContact O-N 3.24Å; H120-F122 VanDerWaalsContact C-N 3.35Å; H120-A146 WeakPolarHBondContact CD2-CB 3.46Å; H120-A146 WeakPolarHBondContact NE2-CB 3.45Å
121R96.8Very high97Very high137 Ų13742.2 Ų42.252%0.51721%0.212SC..G310 helixtrans-81.4-8.7-175.971.7-167.3171.4158.33115F118 F119F118-R121 WeakPolarHBondContact O-CD 3.5Å; F118-R121 WeakPolarHBondContact O-CG 3.35Å; F118-R121 PolarHBondContact O-NE 3.33Å; F119-R121 PolarHBondContact O-N 3.18Å
122F98.6Very high96.7Very high8 Ų842.6 Ų42.64%0.03521%0.214CC..  trans-94.3145.3-174.2-58.7-71.6000111.3H31 C33 T57 F118 F119 H120 I124 V125H31-F122 HydrophobicContact CB-CD1 4.46Å; H31-F122 AromaticContact CD2-CD1 3.79Å; H31-F122 AromaticContact CD2-CE1 3.84Å; H31-F122 AromaticContact CE1-CE1 3.82Å; H31-F122 AromaticContact CG-CD1 3.88Å; H31-F122 AromaticContact NE2-CE1 3.61Å; H31-F122 CarbonylContact O-C 3.15Å; H31-F122 WeakPolarHBondContact O-CA 3.42Å; H31-F122 WeakPolarHBondContact O-CB 3.46Å; C33-F122 HydrophobicContact CB-CB 4.17Å; C33-F122 HydrophobicContact CB-CD1 3.68Å; C33-F122 HydrophobicContact CB-CD2 3.43Å; C33-F122 VanDerWaalsContact CB-CD2 3.43Å; C33-F122 HydrophobicContact CB-CE1 3.8Å; C33-F122 HydrophobicContact CB-CE2 3.57Å; C33-F122 HydrophobicContact CB-CG 3.48Å; C33-F122 VanDerWaalsContact CB-CG 3.48Å; C33-F122 HydrophobicContact CB-CZ 3.74Å; T57-F122 HydrophobicContact CG2-CZ 4.38Å; F118-F122 AromaticContact CD1-CE2 3.91Å; F118-F122 HydrophobicContact CD1-CE2 3.91Å; F118-F122 AromaticContact CE1-CE2 3.57Å; F118-F122 HydrophobicContact CE1-CE2 3.57Å; F118-F122 AromaticContact CE1-CZ 3.81Å; F118-F122 HydrophobicContact CE1-CZ 3.81Å; F118-F122 HydrophobicContact CZ-CE2 4.26Å; F118-F122 HydrophobicContact CZ-CZ 4.06Å; F118-F122 WeakPolarHBondContact O-CE2 3.46Å; F119-F122 HydrophobicContact CD1-CE2 4.31Å; F119-F122 WeakPolarHBondContact O-CD2 3.46Å; F119-F122 PolarHBondContact O-N 3.48Å; H120-F122 VanDerWaalsContact C-N 3.35Å; F122-I124 VanDerWaalsContact C-N 3.29Å; F122-V125 HydrophobicContact CB-CG2 4.19Å; F122-V125 HydrophobicContact CD2-CG2 4.24Å
123T98.8Very high95.9Very high54 Ų5444.8 Ų44.833%0.33123%0.229SC..SBendtrans-65.9-36.6173.5-47.80000111.2A30 H31 P149 I511A30-T123 WeakPolarHBondContact CA-OG1 3.46Å; A30-T123 HydrophobicContact CB-CG2 4.05Å; H31-T123 PolarHBondContact N-OG1 3.06Å; H31-T123 PolarHBondContact O-N 2.65Å; T123-P149 WeakPolarHBondContact O-CD 3.44Å; T123-I511 HydrophobicContact CG2-CG1 3.96Å
124I98.8Very high95.3Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-153.6142.9173.9-179168.1000109.3V32 C33 F122 I126 P149 L151 A507 I510 I511V32-I124 HydrophobicContact CB-CG2 4.49Å; V32-I124 HydrophobicContact CG1-CG2 4.27Å; V32-I124 HydrophobicContact CG2-CG2 3.8Å; C33-I124 PolarHBondContact N-O 3.43Å; C33-I124 VanDerWaalsContact N-O 3.08Å; F122-I124 VanDerWaalsContact C-N 3.29Å; I124-I126 HydrophobicContact CG1-CG1 4.39Å; I124-P149 HydrophobicContact CB-CB 4.23Å; I124-P149 HydrophobicContact CD1-CB 4.34Å; I124-P149 HydrophobicContact CG1-CB 4.03Å; I124-L151 HydrophobicContact CD1-CB 4.22Å; I124-A507 HydrophobicContact CD1-CB 4.09Å; I124-A507 HydrophobicContact CG2-CB 4.49Å; I124-I510 HydrophobicContact CD1-CB 4.28Å; I124-I510 HydrophobicContact CD1-CG1 4.31Å; I124-I510 HydrophobicContact CD1-CG2 4.27Å; I124-I511 HydrophobicContact CG2-CD1 4.26Å; I124-I511 HydrophobicContact CG2-CG1 4.34Å
125V98.9Very high95.2Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-105.5134.2171-177.40000109C33 I35 F119 F122 L139 L143 V148 P149 Y150 L151C33-V125 HydrophobicContact CB-CB 4.48Å; C33-V125 HydrophobicContact CB-CG1 4.27Å; C33-V125 HydrophobicContact CB-CG2 4.14Å; C33-V125 CarbonylContact O-C 3.5Å; I35-V125 HydrophobicContact CD1-CG1 3.86Å; I35-V125 HydrophobicContact CG1-CG1 4.32Å; F119-V125 HydrophobicContact CB-CG2 4.32Å; F119-V125 HydrophobicContact CD1-CG1 4.34Å; F119-V125 HydrophobicContact CD1-CG2 4.35Å; F122-V125 HydrophobicContact CB-CG2 4.19Å; F122-V125 HydrophobicContact CD2-CG2 4.24Å; V125-L139 HydrophobicContact CG1-CD2 4.33Å; V125-L143 HydrophobicContact CB-CD1 3.74Å; V125-L143 HydrophobicContact CG1-CD1 4.03Å; V125-L143 HydrophobicContact CG2-CD1 4Å; V125-L143 HydrophobicContact CG2-CD2 3.84Å; V125-V148 HydrophobicContact CG2-CG1 4.04Å; V125-P149 PolarHBondContact N-O 3.41Å; V125-Y150 HydrophobicContact CB-CD2 4.18Å; V125-Y150 HydrophobicContact CG1-CD2 4.19Å; V125-Y150 HydrophobicContact CG1-CE2 4.36Å; V125-Y150 CarbonylContact O-C 3.59Å; V125-Y150 WeakPolarHBondContact O-CA 3.19Å; V125-Y150 WeakPolarHBondContact O-CD2 3.27Å; V125-L151 PolarHBondContact O-N 2.77Å
126I98.9Very high95.3Very high1 Ų133.7 Ų33.71%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-118.1110.9179.7-53.4179000108.3V32 C33 L34 I35 I44 L48 I124 V128 L151 A507V32-I126 HydrophobicContact CG1-CD1 3.8Å; V32-I126 HydrophobicContact CG1-CG1 4.18Å; C33-I126 PolarHBondContact O-N 3.45Å; L34-I126 HydrophobicContact CD1-CB 4.26Å; L34-I126 HydrophobicContact CD1-CG2 4.18Å; I35-I126 PolarHBondContact N-O 2.94Å; I44-I126 HydrophobicContact CD1-CG2 3.94Å; I44-I126 HydrophobicContact CG2-CD1 3.81Å; I44-I126 HydrophobicContact CG2-CG2 4.43Å; L48-I126 HydrophobicContact CD1-CD1 3.93Å; I124-I126 HydrophobicContact CG1-CG1 4.39Å; I126-V128 HydrophobicContact CG2-CG2 4.05Å; I126-L151 CarbonylContact C-O 3.42Å; I126-L151 VanDerWaalsContact CA-O 3.3Å; I126-L151 WeakPolarHBondContact CA-O 3.45Å; I126-L151 HydrophobicContact CG1-CB 4.34Å; I126-A507 HydrophobicContact CD1-CB 4.12Å
127G98.6Very high95.4Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-97.2117.2-178.300000111.9L151 V152 C153G127-L151 PolarHBondContact N-O 2.98Å; G127-V152 CarbonylContact O-C 3.59Å; G127-V152 WeakPolarHBondContact O-CA 3.43Å; G127-C153 PolarHBondContact O-N 3.45Å
128V98.7Very high95.4Very high0 Ų031.4 Ų31.40%016%0.158CC..EExtended strand (participates in β ladder)trans-117.2133.8-174-174.50000111.7L34 I35 N36 T40 I44 I126 L130 C153L34-V128 HydrophobicContact CD1-CG2 3.71Å; I35-V128 WeakPolarHBondContact O-CB 3.47Å; I35-V128 PolarHBondContact O-N 3.43Å; I35-V128 VanDerWaalsContact O-N 3.07Å; N36-V128 WeakPolarHBondContact CB-O 3.41Å; N36-V128 PolarHBondContact ND2-O 3Å; T40-V128 HydrophobicContact CG2-CG1 3.75Å; I44-V128 HydrophobicContact CD1-CG2 4.02Å; I126-V128 HydrophobicContact CG2-CG2 4.05Å; V128-L130 PolarHBondContact O-N 3.13Å; V128-C153 WeakPolarHBondContact CA-O 3.13Å; V128-C153 HydrophobicContact CG2-CB 4.26Å
129Q97.4Very high95.4Very high40 Ų4030.4 Ų30.419%0.18715%0.153CC..SBendtrans52.136.4-179.7-57.6-60.185.200113.8T38 C153 K154 T155T38-Q129 HydrophobicContact CG2-CB 4.46Å; T38-Q129 HydrophobicContact CG2-CG 4.11Å; Q129-C153 PolarHBondContact N-O 3.16Å; Q129-C153 VanDerWaalsContact N-O 3.1Å; Q129-K154 VanDerWaalsContact OE1-CG 3.29Å; Q129-T155 PolarHBondContact NE2-O 2.8Å; Q129-T155 PolarHBondContact OE1-O 3.48Å
130L96.1Very high95.4Very high9 Ų930.6 Ų30.65%0.04716%0.156CC..  trans-82.6135.7-178.2-69.2178000112I35 P108 V128 E132 T135 C136 L139 Y150I35-L130 HydrophobicContact CD1-CD1 4.49Å; I35-L130 HydrophobicContact CG2-CD1 4.48Å; I35-L130 HydrophobicContact CG2-CD2 3.81Å; P108-L130 HydrophobicContact CG-CD2 4.16Å; V128-L130 PolarHBondContact O-N 3.13Å; L130-E132 PolarHBondContact O-N 2.72Å; L130-T135 HydrophobicContact CD2-CG2 3.92Å; L130-C136 HydrophobicContact CB-CB 4.09Å; L130-L139 HydrophobicContact CD1-CD2 4.33Å; L130-Y150 VanDerWaalsContact CD1-OH 3.26Å; L130-Y150 WeakPolarHBondContact CD1-OH 3.22Å
131P92.2Very high95.4Very high33 Ų3330.3 Ų30.321%0.21416%0.163CC..  trans-62.3135.6168.8-19.331.4000111.1S134 T135 C136P131-S134 WeakPolarHBondContact CB-OG 3.17Å; P131-T135 PolarHBondContact O-N 3.24Å; P131-C136 WeakPolarHBondContact O-CB 3.48Å; P131-C136 PolarHBondContact O-N 3.44Å
132E89Confident95.4Very high19 Ų1925.3 Ų25.39%0.08915%0.147CC..Iπ-helixtrans-52.2-66.6-175.1175.5171.8137.900113L130 L137 Y402 R430 D433L130-E132 PolarHBondContact O-N 2.72Å; E132-L137 HydrophobicContact CG-CD1 4.47Å; E132-L137 WeakPolarHBondContact O-CG 3.42Å; E132-L137 PolarHBondContact O-N 3.45Å; E132-L137 VanDerWaalsContact O-N 3.14Å; E132-Y402 HydrophobicContact CG-CD1 4.04Å; E132-Y402 HydrophobicContact CG-CE1 3.45Å; E132-Y402 VanDerWaalsContact CG-CE1 3.45Å; E132-Y402 WeakPolarHBondContact OE1-CD1 3.48Å; E132-Y402 WeakPolarHBondContact OE1-CE1 3.45Å; E132-Y402 WeakPolarHBondContact OE2-CE1 3.39Å; E132-R430 IonicContact OE1-CZ 3.9Å; E132-R430 IonicContact OE1-NE 2.74Å; E132-R430 PolarHBondContact OE1-NE 3.1Å; E132-R430 IonicContact OE1-NH2 2.67Å; E132-R430 PolarHBondContact OE1-NH2 3.23Å; E132-R430 WeakPolarHBondContact OE2-CD 3.42Å; E132-R430 IonicContact OE2-CZ 3.25Å; E132-R430 IonicContact OE2-NE 2.72Å; E132-R430 PolarHBondContact OE2-NE 2.95Å; E132-R430 IonicContact OE2-NH2 3.15Å; E132-D433 HydrophobicContact CB-CB 3.62Å; E132-D433 HydrophobicContact CG-CB 4.4Å
133S79.9Confident95.4Very high51 Ų5125 Ų2536%0.35715%0.146SC..Iπ-helixtrans-81.3-32.5-164.9-43.20000114.1
134S83.1Confident95.4Very high63 Ų6325.9 Ų25.944%0.44114%0.143SC..Iπ-helixtrans-79.7-40.8-175.158.50000112.5P131P131-S134 WeakPolarHBondContact CB-OG 3.17Å
135T94.1Very high95.3Very high2 Ų230.4 Ų30.41%0.01218%0.175CC..Iπ-helixtrans-126.2-48.9-162.4-44.40000111.7P108 D109 L130 P131 R138 L139P108-T135 HydrophobicContact CB-CG2 3.86Å; P108-T135 HydrophobicContact CG-CG2 3.62Å; D109-T135 WeakPolarHBondContact OD1-CB 3.15Å; D109-T135 WeakPolarHBondContact OD1-CG2 3.39Å; D109-T135 PolarHBondContact OD1-OG1 3.41Å; D109-T135 PolarHBondContact OD2-OG1 2.81Å; L130-T135 HydrophobicContact CD2-CG2 3.92Å; P131-T135 PolarHBondContact O-N 3.24Å; T135-R138 PolarHBondContact O-N 2.66Å; T135-L139 VanDerWaalsContact O-CB 3.24Å; T135-L139 WeakPolarHBondContact O-CB 3.16Å; T135-L139 PolarHBondContact O-N 3.23Å
136C96.6Very high95.2Very high4 Ų432.1 Ų32.13%0.02719%0.189CC..Iπ-helixtrans-62.8-51.5-175.1-173.40000112.4L130 P131 G140L130-C136 HydrophobicContact CB-CB 4.09Å; P131-C136 WeakPolarHBondContact O-CB 3.48Å; P131-C136 PolarHBondContact O-N 3.44Å; C136-G140 PolarHBondContact O-N 3.5Å
137L96.6Very high95.1Very high48 Ų4835.9 Ų35.925%0.25122%0.215SC..Hα-helixtrans-66.8-39.3179.2-67.5179.6000112.5E132 G140 S141 L398 Y402E132-L137 HydrophobicContact CG-CD1 4.47Å; E132-L137 WeakPolarHBondContact O-CG 3.42Å; E132-L137 PolarHBondContact O-N 3.45Å; E132-L137 VanDerWaalsContact O-N 3.14Å; L137-G140 PolarHBondContact O-N 2.63Å; L137-S141 PolarHBondContact O-N 2.73Å; L137-L398 HydrophobicContact CD2-CB 3.79Å; L137-Y402 HydrophobicContact CD1-CD1 3.84Å; L137-Y402 HydrophobicContact CD1-CE1 4.45Å; L137-Y402 HydrophobicContact CD1-CG 4.26Å; L137-Y402 HydrophobicContact CD2-CD1 3.79Å; L137-Y402 HydrophobicContact CD2-CD2 3.89Å; L137-Y402 HydrophobicContact CD2-CE1 4.05Å; L137-Y402 HydrophobicContact CD2-CE2 4.11Å; L137-Y402 HydrophobicContact CD2-CG 3.71Å; L137-Y402 HydrophobicContact CG-CD1 4.25Å; L137-Y402 HydrophobicContact CG-CE1 4.5Å
138R96.8Very high95.1Very high89 Ų8936.5 Ų36.534%0.33622%0.219SC..Hα-helixtrans-63.5-49.2178.8-175-176.2168.1-173.61.4111.2L112 D113 T135 G140 S141 V142L112-R138 VanDerWaalsContact CB-CZ 3.49Å; L112-R138 HydrophobicContact CD1-CB 4.47Å; L112-R138 HydrophobicContact CD1-CG 4.15Å; L112-R138 PolarHBondContact O-NH2 2.87Å; D113-R138 IonicContact OD1-CZ 3.57Å; D113-R138 IonicContact OD1-NH1 3.43Å; D113-R138 PolarHBondContact OD1-NH1 3.33Å; D113-R138 IonicContact OD1-NH2 3.38Å; D113-R138 PolarHBondContact OD1-NH2 3.26Å; T135-R138 PolarHBondContact O-N 2.66Å; R138-G140 VanDerWaalsContact C-N 3.35Å; R138-S141 PolarHBondContact O-N 3.27Å; R138-V142 PolarHBondContact O-N 3.49Å
139L97.9Very high95.1Very high0 Ų037.6 Ų37.60%023%0.226CC..Hα-helixtrans-61-45.2174.9179.362.6000111I35 L112 F119 V125 L130 T135 S141 V142 L143 Y150I35-L139 HydrophobicContact CD1-CD2 3.18Å; L112-L139 HydrophobicContact CD1-CB 4.16Å; L112-L139 HydrophobicContact CD2-CD1 3.96Å; F119-L139 HydrophobicContact CD1-CD1 4.27Å; F119-L139 HydrophobicContact CD2-CD1 3.77Å; F119-L139 HydrophobicContact CE1-CD1 4.37Å; F119-L139 HydrophobicContact CE2-CD1 3.89Å; F119-L139 HydrophobicContact CG-CD1 3.98Å; F119-L139 HydrophobicContact CZ-CD1 4.19Å; V125-L139 HydrophobicContact CG1-CD2 4.33Å; L130-L139 HydrophobicContact CD1-CD2 4.33Å; T135-L139 VanDerWaalsContact O-CB 3.24Å; T135-L139 WeakPolarHBondContact O-CB 3.16Å; T135-L139 PolarHBondContact O-N 3.23Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 2.9Å; L139-V142 PolarHBondContact O-N 3.38Å; L139-V142 VanDerWaalsContact O-N 3.12Å; L139-L143 HydrophobicContact CD1-CD1 3.89Å; L139-L143 HydrophobicContact CD1-CD2 4.29Å; L139-L143 HydrophobicContact CD1-CG 3.91Å; L139-L143 HydrophobicContact CD2-CD1 4.27Å; L139-L143 HydrophobicContact CG-CD1 3.72Å; L139-L143 HydrophobicContact CG-CG 4.13Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 3.46Å; L139-Y150 HydrophobicContact CD2-CE2 3.77Å; L139-Y150 HydrophobicContact CG-CE2 4.46Å
140G97.5Very high95.2Very high5 Ų535.8 Ų35.85%0.05222%0.218CC..Hα-helixtrans-56-39.4177.800000113.3C136 L137 R138 W144C136-G140 PolarHBondContact O-N 3.5Å; L137-G140 PolarHBondContact O-N 2.63Å; R138-G140 VanDerWaalsContact C-N 3.35Å; G140-W144 WeakPolarHBondContact O-CB 3.49Å; G140-W144 PolarHBondContact O-N 3.35Å
141S97.3Very high95.3Very high74 Ų7435.3 Ų35.352%0.51722%0.215SC..Hα-helixtrans-66.4-40.4176.4179.50000113L137 R138 L139 S145L137-S141 PolarHBondContact O-N 2.73Å; R138-S141 PolarHBondContact O-N 3.27Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 2.9Å; S141-S145 WeakPolarHBondContact O-CB 3.36Å; S141-S145 PolarHBondContact O-N 3.37Å; S141-S145 VanDerWaalsContact O-N 3.13Å; S141-S145 PolarHBondContact O-OG 2.93Å
142V97.9Very high95.6Very high32 Ų3234.1 Ų34.119%0.19421%0.207CC..Hα-helixtrans-64.2-51.4176.1173.70000110.3L112 P116 R138 L139 W144 S145 A146L112-V142 HydrophobicContact CD2-CB 4.42Å; L112-V142 HydrophobicContact CD2-CG2 4Å; P116-V142 HydrophobicContact CB-CG1 4.23Å; P116-V142 HydrophobicContact CB-CG2 4.44Å; R138-V142 PolarHBondContact O-N 3.49Å; L139-V142 PolarHBondContact O-N 3.38Å; L139-V142 VanDerWaalsContact O-N 3.12Å; V142-W144 PolarHBondContact O-N 2.93Å; V142-S145 PolarHBondContact O-N 3.18Å; V142-A146 PolarHBondContact O-N 2.65Å
143L98.4Very high96.1Very high0 Ų033.2 Ų33.20%020%0.203CC..Hα-helixtrans-64.8-39.8-178.3-62.4178.8000112.5F119 V125 L139 S145 A146 S147 V148 Y150F119-L143 HydrophobicContact CB-CD2 3.54Å; F119-L143 HydrophobicContact CG-CD2 4.4Å; V125-L143 HydrophobicContact CB-CD1 3.74Å; V125-L143 HydrophobicContact CG1-CD1 4.03Å; V125-L143 HydrophobicContact CG2-CD1 4Å; V125-L143 HydrophobicContact CG2-CD2 3.84Å; L139-L143 HydrophobicContact CD1-CD1 3.89Å; L139-L143 HydrophobicContact CD1-CD2 4.29Å; L139-L143 HydrophobicContact CD1-CG 3.91Å; L139-L143 HydrophobicContact CD2-CD1 4.27Å; L139-L143 HydrophobicContact CG-CD1 3.72Å; L139-L143 HydrophobicContact CG-CG 4.13Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 3.46Å; L143-S145 PolarHBondContact O-N 2.97Å; L143-A146 CarbonylContact O-C 3.48Å; L143-A146 PolarHBondContact O-N 3.48Å; L143-S147 PolarHBondContact O-N 3.06Å; L143-V148 HydrophobicContact CB-CB 4.32Å; L143-V148 HydrophobicContact CD2-CB 3.97Å; L143-V148 HydrophobicContact CD2-CG1 4.01Å; L143-V148 PolarHBondContact O-N 3.38Å; L143-Y150 HydrophobicContact CD1-CD1 4.17Å; L143-Y150 HydrophobicContact CD1-CD2 3.56Å; L143-Y150 HydrophobicContact CD1-CE2 4.25Å; L143-Y150 HydrophobicContact CD1-CG 3.53Å
144W98.2Very high97Very high74 Ų7431.3 Ų31.328%0.2819%0.188SC..Hα-helixtrans-59.4-46.7174.4-176.3-93.5000111.2G140 V142 A146 S147 V165 Q167 C395G140-W144 WeakPolarHBondContact O-CB 3.49Å; G140-W144 PolarHBondContact O-N 3.35Å; V142-W144 PolarHBondContact O-N 2.93Å; W144-A146 PolarHBondContact O-N 2.89Å; W144-S147 PolarHBondContact O-N 3.18Å; W144-S147 VanDerWaalsContact O-N 3.07Å; W144-V165 HydrophobicContact CE3-CG1 3.8Å; W144-V165 HydrophobicContact CZ3-CG1 4.06Å; W144-Q167 HydrophobicContact CD2-CG 3.71Å; W144-Q167 HydrophobicContact CE3-CG 3.64Å; W144-Q167 HydrophobicContact CH2-CB 4.26Å; W144-Q167 HydrophobicContact CH2-CG 3.51Å; W144-Q167 HydrophobicContact CZ2-CG 3.56Å; W144-Q167 HydrophobicContact CZ3-CB 4.35Å; W144-Q167 HydrophobicContact CZ3-CG 3.54Å; W144-Q167 PolarHBondContact O-NE2 3.11Å; W144-C395 WeakPolarHBondContact CH2-O 3.4Å
145S97.3Very high97.7Very high95 Ų9528.3 Ų28.366%0.66417%0.167SC*.Hα-helixtrans-64.1-26.7-179.5-55.60000113S141 V142 L143S141-S145 WeakPolarHBondContact O-CB 3.36Å; S141-S145 PolarHBondContact O-N 3.37Å; S141-S145 VanDerWaalsContact O-N 3.13Å; S141-S145 PolarHBondContact O-OG 2.93Å; V142-S145 PolarHBondContact O-N 3.18Å; L143-S145 PolarHBondContact O-N 2.97Å
146A97.1Very high97.9Very high35 Ų3528.3 Ų28.329%0.28917%0.167SC..THydrogen-bonded Turntrans-95.83.5177.100000114.1H120 V142 L143 W144 V148H120-A146 WeakPolarHBondContact CD2-CB 3.46Å; H120-A146 WeakPolarHBondContact NE2-CB 3.45Å; V142-A146 PolarHBondContact O-N 2.65Å; L143-A146 CarbonylContact O-C 3.48Å; L143-A146 PolarHBondContact O-N 3.48Å; W144-A146 PolarHBondContact O-N 2.89Å; A146-V148 HydrophobicContact CB-CG2 4.05Å; A146-V148 PolarHBondContact O-N 3.08Å
147S97Very high97.9Very high80 Ų8028.2 Ų28.256%0.55917%0.167SC*.THydrogen-bonded Turntrans53.833.4-175-54.90000113.8L143 W144 Q167L143-S147 PolarHBondContact O-N 3.06Å; W144-S147 PolarHBondContact O-N 3.18Å; W144-S147 VanDerWaalsContact O-N 3.07Å; S147-Q167 PolarHBondContact OG-OE1 3.24Å
148V98.4Very high98Very high14 Ų1428.6 Ų28.69%0.08517%0.169CC..  trans-90.3125.2174.7179.60000109.7V125 L143 A146 Y150V125-V148 HydrophobicContact CG2-CG1 4.04Å; L143-V148 HydrophobicContact CB-CB 4.32Å; L143-V148 HydrophobicContact CD2-CB 3.97Å; L143-V148 HydrophobicContact CD2-CG1 4.01Å; L143-V148 PolarHBondContact O-N 3.38Å; A146-V148 HydrophobicContact CB-CG2 4.05Å; A146-V148 PolarHBondContact O-N 3.08Å; V148-Y150 PolarHBondContact O-N 2.79Å
149P98.7Very high98.1Very high23 Ų2324.4 Ų24.415%0.14915%0.153CC..  trans-57.8137.1175.4-24.934.1000112.4T123 I124 V125 I510T123-P149 WeakPolarHBondContact O-CD 3.44Å; I124-P149 HydrophobicContact CB-CB 4.23Å; I124-P149 HydrophobicContact CD1-CB 4.34Å; I124-P149 HydrophobicContact CG1-CB 4.03Å; V125-P149 PolarHBondContact N-O 3.41Å; P149-I510 HydrophobicContact CB-CG2 3.82Å; P149-I510 HydrophobicContact CG-CG2 3.81Å
150Y98.8Very high98.2Very high1 Ų124.4 Ų24.40%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-129.8127.4-179.8-179.2-141.3000111.2V125 L130 L139 L143 V148 V152 V165 L398V125-Y150 HydrophobicContact CB-CD2 4.18Å; V125-Y150 HydrophobicContact CG1-CD2 4.19Å; V125-Y150 HydrophobicContact CG1-CE2 4.36Å; V125-Y150 CarbonylContact O-C 3.59Å; V125-Y150 WeakPolarHBondContact O-CA 3.19Å; V125-Y150 WeakPolarHBondContact O-CD2 3.27Å; L130-Y150 VanDerWaalsContact CD1-OH 3.26Å; L130-Y150 WeakPolarHBondContact CD1-OH 3.22Å; L139-Y150 HydrophobicContact CD2-CE2 3.77Å; L139-Y150 HydrophobicContact CG-CE2 4.46Å; L143-Y150 HydrophobicContact CD1-CD1 4.17Å; L143-Y150 HydrophobicContact CD1-CD2 3.56Å; L143-Y150 HydrophobicContact CD1-CE2 4.25Å; L143-Y150 HydrophobicContact CD1-CG 3.53Å; V148-Y150 PolarHBondContact O-N 2.79Å; Y150-V152 HydrophobicContact CD1-CG2 3.97Å; Y150-V152 HydrophobicContact CE1-CG2 3.44Å; Y150-V152 VanDerWaalsContact CE1-CG2 3.44Å; Y150-V152 HydrophobicContact CE2-CG2 4.32Å; Y150-V165 HydrophobicContact CD1-CG2 4.32Å; Y150-V165 PolarHBondContact N-O 3.48Å; Y150-V165 PolarHBondContact O-N 2.99Å; Y150-L398 HydrophobicContact CD1-CD1 4.05Å; Y150-L398 HydrophobicContact CE1-CD1 3.79Å
151L98.9Very high98.2Very high0 Ų024.8 Ų24.80%015%0.153CC..EExtended strand (participates in β ladder)trans-116.3112.6176-171.764.8000109.6I124 V125 I126 G127 M162 R163 L164 A503 F518I124-L151 HydrophobicContact CD1-CB 4.22Å; V125-L151 PolarHBondContact O-N 2.77Å; I126-L151 CarbonylContact C-O 3.42Å; I126-L151 VanDerWaalsContact CA-O 3.3Å; I126-L151 WeakPolarHBondContact CA-O 3.45Å; I126-L151 HydrophobicContact CG1-CB 4.34Å; G127-L151 PolarHBondContact N-O 2.98Å; L151-M162 HydrophobicContact CD1-CG 3.52Å; L151-M162 HydrophobicContact CD1-SD 3.92Å; L151-M162 HydrophobicContact CD2-SD 4.17Å; L151-M162 HydrophobicContact CG-CG 4.13Å; L151-M162 HydrophobicContact CG-SD 4.4Å; L151-R163 WeakPolarHBondContact CA-O 3.41Å; L151-L164 HydrophobicContact CD1-CB 4.04Å; L151-L164 HydrophobicContact CD1-CD1 4.2Å; L151-A503 HydrophobicContact CD2-CB 3.84Å; L151-A503 WeakPolarHBondContact CD2-O 3.42Å; L151-F518 HydrophobicContact CD1-CE1 4.26Å; L151-F518 HydrophobicContact CD1-CZ 4.27Å
152V98.8Very high98.3Very high7 Ų721.4 Ų21.44%0.04213%0.129CC..EExtended strand (participates in β ladder)trans-90.6131175-162.90000108.8G127 Y150 Y161 M162 R163 L398G127-V152 CarbonylContact O-C 3.59Å; G127-V152 WeakPolarHBondContact O-CA 3.43Å; Y150-V152 HydrophobicContact CD1-CG2 3.97Å; Y150-V152 HydrophobicContact CE1-CG2 3.44Å; Y150-V152 VanDerWaalsContact CE1-CG2 3.44Å; Y150-V152 HydrophobicContact CE2-CG2 4.32Å; V152-Y161 HydrophobicContact CB-CE1 4.26Å; V152-Y161 HydrophobicContact CG1-CE1 4.16Å; V152-M162 CarbonylContact O-C 3.33Å; V152-M162 VanDerWaalsContact O-CA 3.23Å; V152-M162 WeakPolarHBondContact O-CA 3.49Å; V152-R163 HydrophobicContact CB-CB 4.02Å; V152-R163 HydrophobicContact CG2-CB 4.25Å; V152-R163 PolarHBondContact N-O 2.86Å; V152-R163 PolarHBondContact O-N 2.85Å; V152-L398 HydrophobicContact CG2-CD1 4.27Å
153C98.8Very high98.3Very high0 Ų019.9 Ų19.90%012%0.12CC..EExtended strand (participates in β ladder)trans-128137.4176.2-61.20000110.4T40 I44 G127 V128 Q129 Y161 L499T40-C153 HydrophobicContact CG2-CB 4.33Å; I44-C153 HydrophobicContact CD1-CB 4.03Å; G127-C153 PolarHBondContact O-N 3.45Å; V128-C153 WeakPolarHBondContact CA-O 3.13Å; V128-C153 HydrophobicContact CG2-CB 4.26Å; Q129-C153 PolarHBondContact N-O 3.16Å; Q129-C153 VanDerWaalsContact N-O 3.1Å; C153-Y161 CarbonylContact C-O 3.52Å; C153-Y161 WeakPolarHBondContact CA-O 3.48Å; C153-L499 HydrophobicContact CB-CD2 4.1Å
154K98.4Very high98.3Very high11 Ų1119.9 Ų19.95%0.04812%0.12CC..EExtended strand (participates in β ladder)trans-141.1133.6174.8-164.1177-174.3-177.40110.8Q129 Y161 L429 D433 L499Q129-K154 VanDerWaalsContact OE1-CG 3.29Å; K154-Y161 HydrophobicContact CB-CD1 3.92Å; K154-Y161 HydrophobicContact CB-CG 4.44Å; K154-Y161 PolarHBondContact N-O 3.41Å; K154-Y161 PolarHBondContact O-N 2.97Å; K154-L429 HydrophobicContact CD-CD2 4.27Å; K154-D433 IonicContact NZ-OD1 2.72Å; K154-D433 PolarHBondContact NZ-OD1 2.78Å; K154-D433 IonicContact NZ-OD2 2.6Å; K154-D433 PolarHBondContact NZ-OD2 2.7Å; K154-L499 WeakPolarHBondContact O-CD2 3.33Å
155T98.7Very high98.4Very high0 Ų016.7 Ų16.70%011%0.108CC..EExtended strand (participates in β ladder)trans-112.7121.9167.8-68.10000108.2T40 Q129 I159 E491 V495T40-T155 WeakPolarHBondContact OG1-CB 3.42Å; T40-T155 PolarHBondContact OG1-OG1 2.98Å; T40-T155 VanDerWaalsContact OG1-OG1 3.11Å; Q129-T155 PolarHBondContact NE2-O 2.8Å; Q129-T155 PolarHBondContact OE1-O 3.48Å; T155-I159 WeakPolarHBondContact CA-O 3.49Å; T155-E491 HydrophobicContact CG2-CG 4.01Å; T155-V495 HydrophobicContact CG2-CB 3.9Å; T155-V495 HydrophobicContact CG2-CG1 3.73Å
156Y98Very high98.4Very high3 Ų312.6 Ų12.61%0.0128%0.08CC..EExtended strand (participates in β ladder)trans-134.499.6-179.2-166.5-84.2000109.4L158 I159 L429 V432 Y442 F484 Y487 A489Y156-L158 PolarHBondContact O-N 3.37Å; Y156-I159 PolarHBondContact N-O 3.43Å; Y156-I159 PolarHBondContact O-N 2.84Å; Y156-I159 VanDerWaalsContact O-N 3.08Å; Y156-L429 HydrophobicContact CG-CD2 4.08Å; Y156-V432 HydrophobicContact CD2-CG1 4.3Å; Y156-V432 HydrophobicContact CE1-CG2 4.34Å; Y156-V432 HydrophobicContact CE2-CG1 3.55Å; Y156-Y442 HydrophobicContact CE2-CD1 4.09Å; Y156-F484 AromaticContact CD1-CD1 3.7Å; Y156-F484 HydrophobicContact CD1-CD1 3.7Å; Y156-F484 AromaticContact CD1-CE1 3.87Å; Y156-F484 HydrophobicContact CD1-CE1 3.87Å; Y156-F484 HydrophobicContact CE1-CB 4.38Å; Y156-F484 AromaticContact CE1-CD1 3.56Å; Y156-F484 HydrophobicContact CE1-CD1 3.56Å; Y156-F484 HydrophobicContact CE1-CE1 4.22Å; Y156-F484 HydrophobicContact CE1-CG 4.26Å; Y156-F484 WeakPolarHBondContact CE1-O 3.5Å; Y156-F484 PolarHBondContact OH-O 3.18Å; Y156-Y487 AromaticContact CD1-CD2 3.89Å; Y156-Y487 HydrophobicContact CD1-CD2 3.89Å; Y156-Y487 HydrophobicContact CE1-CD2 4.09Å; Y156-A489 HydrophobicContact CD2-CB 4.1Å; Y156-A489 VanDerWaalsContact CE2-CA 3.44Å; Y156-A489 HydrophobicContact CE2-CB 3.4Å
157G97.4Very high98.3Very high2 Ų214.3 Ų14.32%0.0218%0.081CC..THydrogen-bonded Turntrans57.7-121.8-170.900000111.2I159 A490 P492G157-I159 VanDerWaalsContact C-N 3.3Å; G157-I159 PolarHBondContact O-N 3.45Å; G157-A490 PolarHBondContact N-O 3.04Å; G157-P492 WeakPolarHBondContact O-CD 3.34Å; G157-P492 VanDerWaalsContact O-CG 3.29Å; G157-P492 WeakPolarHBondContact O-CG 3.26Å
158L98.4Very high98.3Very high56 Ų5613.4 Ų13.429%0.2937%0.068SC..THydrogen-bonded Turntrans-9113.2-179.6-63178.9000113.9Y156 Y487 V495 A526 M527Y156-L158 PolarHBondContact O-N 3.37Å; L158-Y487 HydrophobicContact CB-CE1 4Å; L158-Y487 HydrophobicContact CD1-CE1 4.27Å; L158-Y487 HydrophobicContact CG-CE1 3.97Å; L158-V495 HydrophobicContact CD2-CG2 3.99Å; L158-A526 HydrophobicContact CB-CB 4.11Å; L158-A526 HydrophobicContact CD2-CB 4.35Å; L158-A526 WeakPolarHBondContact O-CB 3.44Å; L158-A526 PolarHBondContact O-N 2.92Å; L158-M527 HydrophobicContact CB-CG 3.81Å; L158-M527 HydrophobicContact CD1-CG 3.61Å; L158-M527 HydrophobicContact CG-CG 4.37Å
159I98.7Very high98.3Very high0 Ų013 Ų130%07%0.066CC..EExtended strand (participates in β ladder)trans-110129-180-52.8-54.8000110.6T155 Y156 G157 F425 L429 F484 Y487 I523 Y524 N525 M527T155-I159 WeakPolarHBondContact CA-O 3.49Å; Y156-I159 PolarHBondContact N-O 3.43Å; Y156-I159 PolarHBondContact O-N 2.84Å; Y156-I159 VanDerWaalsContact O-N 3.08Å; G157-I159 VanDerWaalsContact C-N 3.3Å; G157-I159 PolarHBondContact O-N 3.45Å; I159-F425 HydrophobicContact CD1-CB 4.32Å; I159-F425 HydrophobicContact CD1-CD1 3.56Å; I159-F425 HydrophobicContact CD1-CD2 4.02Å; I159-F425 HydrophobicContact CD1-CE1 3.78Å; I159-F425 HydrophobicContact CD1-CE2 4.25Å; I159-F425 HydrophobicContact CD1-CG 3.69Å; I159-F425 HydrophobicContact CD1-CZ 4.13Å; I159-F425 HydrophobicContact CG1-CB 4.44Å; I159-F425 HydrophobicContact CG1-CD1 4.06Å; I159-F425 HydrophobicContact CG1-CG 4.26Å; I159-F425 HydrophobicContact CG2-CB 3.96Å; I159-F425 HydrophobicContact CG2-CG 4.47Å; I159-L429 HydrophobicContact CG2-CD1 4.14Å; I159-F484 HydrophobicContact CG1-CE2 4.27Å; I159-F484 HydrophobicContact CG1-CZ 3.94Å; I159-Y487 HydrophobicContact CG1-CE2 4.01Å; I159-I523 HydrophobicContact CG2-CG2 4.39Å; I159-Y524 WeakPolarHBondContact CA-O 3.41Å; I159-N525 HydrophobicContact CD1-CB 4.31Å; I159-M527 HydrophobicContact CD1-CE 4.1Å
160G98.7Very high98.2Very high0 Ų013.1 Ų13.10%07%0.066CC..EExtended strand (participates in β ladder)trans-102.7134.816600000110.7I523 Y524G160-I523 WeakPolarHBondContact O-CA 3.46Å; G160-Y524 PolarHBondContact N-O 2.94Å; G160-Y524 PolarHBondContact O-N 3.05Å
161Y98.8Very high98.2Very high13 Ų1313 Ų135%0.0517%0.066CC..EExtended strand (participates in β ladder)trans-126.4134177.2164.6-87.7000109.1V152 C153 K154 R163 Y426 L429 T521 I523V152-Y161 HydrophobicContact CB-CE1 4.26Å; V152-Y161 HydrophobicContact CG1-CE1 4.16Å; C153-Y161 CarbonylContact C-O 3.52Å; C153-Y161 WeakPolarHBondContact CA-O 3.48Å; K154-Y161 HydrophobicContact CB-CD1 3.92Å; K154-Y161 HydrophobicContact CB-CG 4.44Å; K154-Y161 PolarHBondContact N-O 3.41Å; K154-Y161 PolarHBondContact O-N 2.97Å; Y161-R163 HydrophobicContact CE1-CB 3.83Å; Y161-R163 HydrophobicContact CE2-CB 4.49Å; Y161-R163 VanDerWaalsContact OH-CB 3.29Å; Y161-R163 WeakPolarHBondContact OH-CB 3.41Å; Y161-Y426 HydrophobicContact CE2-CD2 4.28Å; Y161-L429 HydrophobicContact CD2-CD1 3.99Å; Y161-L429 HydrophobicContact CG-CD1 4.06Å; Y161-T521 HydrophobicContact CD2-CG2 4.15Å; Y161-T521 HydrophobicContact CE2-CG2 3.71Å; Y161-I523 HydrophobicContact CD2-CD1 3.58Å; Y161-I523 HydrophobicContact CE2-CD1 4.42Å; Y161-I523 HydrophobicContact CG-CD1 4.42Å
162M98.7Very high98Very high4 Ų414.7 Ų14.72%0.027%0.074CC..EExtended strand (participates in β ladder)trans-137.8138.2174.2-172.417450.300110.5L151 V152 L499 A503 E506 F518 T521 F522L151-M162 HydrophobicContact CD1-CG 3.52Å; L151-M162 HydrophobicContact CD1-SD 3.92Å; L151-M162 HydrophobicContact CD2-SD 4.17Å; L151-M162 HydrophobicContact CG-CG 4.13Å; L151-M162 HydrophobicContact CG-SD 4.4Å; V152-M162 CarbonylContact O-C 3.33Å; V152-M162 VanDerWaalsContact O-CA 3.23Å; V152-M162 WeakPolarHBondContact O-CA 3.49Å; M162-L499 HydrophobicContact CB-CD1 4.1Å; M162-A503 WeakPolarHBondContact SD-CA 3.3Å; M162-A503 HydrophobicContact SD-CB 3.56Å; M162-A503 VanDerWaalsContact SD-CB 3.56Å; M162-E506 HydrophobicContact CE-CG 3.86Å; M162-E506 HydrophobicContact SD-CB 4.48Å; M162-E506 HydrophobicContact SD-CG 4.17Å; M162-F518 HydrophobicContact CB-CZ 4.32Å; M162-F518 HydrophobicContact CE-CD1 3.9Å; M162-F518 HydrophobicContact CE-CE1 3.4Å; M162-F518 VanDerWaalsContact CE-CE1 3.4Å; M162-F518 HydrophobicContact CE-CZ 3.81Å; M162-F518 HydrophobicContact CG-CE1 4.06Å; M162-F518 HydrophobicContact CG-CZ 3.75Å; M162-F518 HydrophobicContact SD-CE1 3.9Å; M162-F518 HydrophobicContact SD-CZ 4.21Å; M162-T521 CarbonylContact O-C 3.54Å; M162-T521 WeakPolarHBondContact O-CA 3.48Å; M162-F522 HydrophobicContact CB-CB 4.27Å; M162-F522 HydrophobicContact CB-CD1 4.34Å; M162-F522 HydrophobicContact CE-CB 3.96Å; M162-F522 HydrophobicContact CE-CD1 3.94Å; M162-F522 HydrophobicContact CE-CG 4.08Å; M162-F522 PolarHBondContact N-O 3.38Å; M162-F522 PolarHBondContact O-N 3.45Å
163R98.7Very high97.9Very high0 Ų015.7 Ų15.70%08%0.078CC..EExtended strand (participates in β ladder)trans-138113.4-178.2179.672.7-173.872.311.1110.8L151 V152 Y161 V165 R396 L398 E401 N520 T521L151-R163 WeakPolarHBondContact CA-O 3.41Å; V152-R163 HydrophobicContact CB-CB 4.02Å; V152-R163 HydrophobicContact CG2-CB 4.25Å; V152-R163 PolarHBondContact N-O 2.86Å; V152-R163 PolarHBondContact O-N 2.85Å; Y161-R163 HydrophobicContact CE1-CB 3.83Å; Y161-R163 HydrophobicContact CE2-CB 4.49Å; Y161-R163 VanDerWaalsContact OH-CB 3.29Å; Y161-R163 WeakPolarHBondContact OH-CB 3.41Å; R163-V165 HydrophobicContact CG-CG2 4.16Å; R163-R396 PolarHBondContact NH2-O 2.82Å; R163-L398 HydrophobicContact CG-CD2 3.74Å; R163-E401 IonicContact CZ-OE2 2.8Å; R163-E401 VanDerWaalsContact CZ-OE2 3.32Å; R163-E401 IonicContact NE-OE1 3.09Å; R163-E401 IonicContact NE-OE2 3.01Å; R163-E401 PolarHBondContact NE-OE2 3.26Å; R163-E401 IonicContact NH2-OE2 3.78Å; R163-E401 PolarHBondContact NH2-OE2 3.39Å; R163-E401 VanDerWaalsContact NH2-OE2 3.12Å; R163-N520 CarbonylContact C-O 3.56Å; R163-N520 WeakPolarHBondContact CA-O 3.19Å; R163-N520 VanDerWaalsContact CD-O 3.29Å; R163-N520 WeakPolarHBondContact CD-O 3.26Å; R163-N520 PolarHBondContact NE-ND2 3.13Å; R163-N520 PolarHBondContact NH1-O 2.86Å; R163-N520 VanDerWaalsContact NH1-O 3.13Å; R163-N520 PolarHBondContact NH1-OD1 3.25Å; R163-N520 VanDerWaalsContact NH1-OD1 3.17Å; R163-N520 PolarHBondContact NH2-OD1 2.93Å; R163-T521 WeakPolarHBondContact CD-OG1 3.48Å; R163-T521 PolarHBondContact NE-OG1 3.42Å
164L98.8Very high97.8Very high0 Ų016.3 Ų16.30%08%0.082CC..EExtended strand (participates in β ladder)trans-94.2118.1179.5175.667.3000111.1L151 V166 C395 I510 P517 F518 N520L151-L164 HydrophobicContact CD1-CB 4.04Å; L151-L164 HydrophobicContact CD1-CD1 4.2Å; L164-V166 HydrophobicContact CD2-CG1 4.29Å; L164-V166 HydrophobicContact CG-CG1 4.24Å; L164-C395 WeakPolarHBondContact O-CB 3.3Å; L164-C395 PolarHBondContact O-SG 3.49Å; L164-I510 HydrophobicContact CD1-CD1 4.08Å; L164-I510 HydrophobicContact CD1-CG1 4.09Å; L164-I510 HydrophobicContact CD2-CD1 4.15Å; L164-P517 HydrophobicContact CD2-CB 3.71Å; L164-P517 HydrophobicContact CD2-CG 4.2Å; L164-F518 HydrophobicContact CB-CE1 3.71Å; L164-F518 HydrophobicContact CB-CE2 4.11Å; L164-F518 HydrophobicContact CB-CZ 3.48Å; L164-F518 VanDerWaalsContact CB-CZ 3.48Å; L164-F518 WeakPolarHBondContact CD2-O 3.15Å; L164-N520 PolarHBondContact N-O 3.32Å
165V98.4Very high97.6Very high6 Ų618.7 Ų18.74%0.0369%0.094CC..EExtended strand (participates in β ladder)trans-113.7104.9-178.9-172.20000108.4W144 Y150 R163 L398W144-V165 HydrophobicContact CE3-CG1 3.8Å; W144-V165 HydrophobicContact CZ3-CG1 4.06Å; Y150-V165 HydrophobicContact CD1-CG2 4.32Å; Y150-V165 PolarHBondContact N-O 3.48Å; Y150-V165 PolarHBondContact O-N 2.99Å; R163-V165 HydrophobicContact CG-CG2 4.16Å; V165-L398 HydrophobicContact CG2-CD1 4.12Å; V165-L398 HydrophobicContact CG2-CD2 3.71Å; V165-L398 HydrophobicContact CG2-CG 3.67Å
166V97.7Very high97.4Very high10 Ų1021.4 Ų21.46%0.06111%0.111CC..  trans-144130.9176.764.60000109.4L164 H169 C395L164-V166 HydrophobicContact CD2-CG1 4.29Å; L164-V166 HydrophobicContact CG-CG1 4.24Å; V166-H169 HydrophobicContact CG1-CB 3.98Å; V166-H169 HydrophobicContact CG2-CB 3.96Å; V166-C395 HydrophobicContact CG1-CB 4.36Å; V166-C395 WeakPolarHBondContact O-CB 3.46Å; V166-C395 PolarHBondContact O-N 2.9Å
167Q95.8Very high97Very high70 Ų7028.7 Ų28.733%0.32715%0.15SC..SBendtrans-64-49.4-179.8-76.7177.2-10.100111.4W144 S147 C394W144-Q167 HydrophobicContact CD2-CG 3.71Å; W144-Q167 HydrophobicContact CE3-CG 3.64Å; W144-Q167 HydrophobicContact CH2-CB 4.26Å; W144-Q167 HydrophobicContact CH2-CG 3.51Å; W144-Q167 HydrophobicContact CZ2-CG 3.56Å; W144-Q167 HydrophobicContact CZ3-CB 4.35Å; W144-Q167 HydrophobicContact CZ3-CG 3.54Å; W144-Q167 PolarHBondContact O-NE2 3.11Å; S147-Q167 PolarHBondContact OG-OE1 3.24Å; Q167-C394 WeakPolarHBondContact O-CB 3.25Å
168E96.7Very high96.5Very high62 Ų6236.2 Ų36.229%0.2919%0.19SC..  trans-151.9122.1180-172.3-18090.400108.2T170 Q293 W305 V392E168-T170 HydrophobicContact CG-CG2 4.25Å; E168-Q293 PolarHBondContact OE2-NE2 3.29Å; E168-W305 PolarHBondContact OE1-NE1 3.2Å; E168-W305 WeakPolarHBondContact OE2-CZ2 3.42Å; E168-W305 PolarHBondContact OE2-NE1 3.39Å; E168-V392 HydrophobicContact CG-CG1 3.74Å
169H97.8Very high96.1Very high5 Ų535.2 Ų35.22%0.02319%0.19CC..EExtended strand (participates in β ladder)trans-122.7108.7173.7-17568.4000109.7V166 V392 V393 I510 H513V166-H169 HydrophobicContact CG1-CB 3.98Å; V166-H169 HydrophobicContact CG2-CB 3.96Å; H169-V392 WeakPolarHBondContact O-CA 3.32Å; H169-V393 HydrophobicContact CB-CB 4.48Å; H169-V393 PolarHBondContact N-O 3.22Å; H169-V393 PolarHBondContact O-N 2.85Å; H169-I510 HydrophobicContact CB-CD1 4.47Å; H169-I510 PolarHBondContact CE1-O 3.33Å; H169-H513 AromaticContact CE1-CE1 3.91Å; H169-H513 AromaticContact CE1-CG 3.99Å; H169-H513 AromaticContact CE1-ND1 3.51Å; H169-H513 AromaticContact ND1-ND1 3.93Å
170T97.6Very high95.8Very high25 Ų2539.9 Ų39.915%0.15322%0.215CC..EExtended strand (participates in β ladder)trans-91.7131.8-17961.80000110.9E168 F304 V392 H513E168-T170 HydrophobicContact CG-CG2 4.25Å; T170-F304 HydrophobicContact CG2-CB 4.06Å; T170-F304 HydrophobicContact CG2-CD1 3.5Å; T170-F304 VanDerWaalsContact CG2-CD1 3.5Å; T170-F304 HydrophobicContact CG2-CD2 4.23Å; T170-F304 HydrophobicContact CG2-CE1 3.95Å; T170-F304 HydrophobicContact CG2-CG 3.67Å; T170-F304 HydrophobicContact CG2-CZ 4.47Å; T170-V392 HydrophobicContact CG2-CG1 4.46Å; T170-V392 HydrophobicContact CG2-CG2 4.12Å; T170-H513 PolarHBondContact O-ND1 3.19Å; T170-H513 VanDerWaalsContact O-ND1 3.14Å
171V97.8Very high95.5Very high0 Ų043.8 Ų43.80%023%0.233CC..EExtended strand (participates in β ladder)trans-124.8122.7-177.8-179.50000109.4R391 F515V171-R391 HydrophobicContact CB-CB 4.28Å; V171-R391 PolarHBondContact N-O 3.49Å; V171-R391 PolarHBondContact O-N 3.32Å; V171-F515 WeakPolarHBondContact CG1-O 3.45Å; V171-F515 WeakPolarHBondContact CG2-O 3.39Å
172I95.6Very high95.4Very high35 Ų3544.3 Ų44.318%0.17924%0.237CC..SBendtrans-92.6-53.4175.1-61.7167.8000109.4S174 F304 M307 L382 F383 N386 L390I172-S174 PolarHBondContact O-N 3.24Å; I172-F304 HydrophobicContact CD1-CD2 4.46Å; I172-F304 HydrophobicContact CG1-CD2 3.88Å; I172-F304 HydrophobicContact CG1-CE2 4.14Å; I172-M307 HydrophobicContact CD1-CE 3.95Å; I172-L382 HydrophobicContact CG2-CG 4.35Å; I172-F383 HydrophobicContact CD1-CD2 3.78Å; I172-F383 HydrophobicContact CD1-CE2 4.34Å; I172-F383 HydrophobicContact CG1-CD2 3.84Å; I172-F383 HydrophobicContact CG1-CE2 4.12Å; I172-F383 HydrophobicContact CG2-CD2 4.26Å; I172-N386 HydrophobicContact CG2-CB 4.07Å; I172-N386 WeakPolarHBondContact O-CB 3.37Å; I172-L390 HydrophobicContact CB-CD2 4.43Å; I172-L390 HydrophobicContact CG1-CD2 4.44Å; I172-L390 HydrophobicContact CG2-CD2 4.19Å
173E96.2Very high95.3Very high28 Ų2844.5 Ų44.513%0.13124%0.238CC..BIsolated β-bridgetrans-93.280179.2-69174.811300110.3H22 H175 L382 Q514 F515H22-E173 IonicContact CD2-OE2 3.61Å; H22-E173 IonicContact CE1-OE1 2.87Å; H22-E173 IonicContact CE1-OE2 3.27Å; H22-E173 IonicContact NE2-OE1 3.13Å; H22-E173 IonicContact NE2-OE2 2.69Å; H22-E173 PolarHBondContact NE2-OE2 3.38Å; E173-H175 PolarHBondContact O-CD2 2.81Å; E173-H175 PolarHBondContact O-N 3.23Å; E173-L382 HydrophobicContact CG-CD1 3.94Å; E173-L382 HydrophobicContact CG-CD2 4.17Å; E173-L382 HydrophobicContact CG-CG 4.21Å; E173-Q514 HydrophobicContact CB-CG 4.13Å; E173-Q514 WeakPolarHBondContact O-CA 3.39Å; E173-F515 PolarHBondContact O-N 3.03Å
174S96.4Very high95.2Very high12 Ų1245.5 Ų45.58%0.08424%0.241CC..  trans-75.4-9.118060.80000114.2I172 F389I172-S174 PolarHBondContact O-N 3.24Å; S174-F389 WeakPolarHBondContact CB-O 3Å; S174-F389 WeakPolarHBondContact OG-CB 3.37Å; S174-F389 PolarHBondContact OG-O 3.28Å
175H95.2Very high95.1Very high62 Ų6246 Ų4629%0.28724%0.244SC..  trans47.563.8179.1-65.9-72000113.1E173 D177 Q514 F515E173-H175 PolarHBondContact O-CD2 2.81Å; E173-H175 PolarHBondContact O-N 3.23Å; H175-D177 PolarHBondContact O-N 3.07Å; H175-Q514 PolarHBondContact NE2-OE1 3.15Å; H175-F515 HydrophobicContact CB-CD1 3.6Å; H175-F515 HydrophobicContact CB-CE1 3.37Å; H175-F515 HydrophobicContact CB-CG 4.36Å; H175-F515 HydrophobicContact CB-CZ 3.96Å; H175-F515 AromaticContact CD2-CD1 3.98Å; H175-F515 AromaticContact CD2-CD2 3.75Å; H175-F515 AromaticContact CD2-CE1 3.74Å; H175-F515 AromaticContact CD2-CE2 3.48Å; H175-F515 VanDerWaalsContact CD2-CE2 3.48Å; H175-F515 WeakPolarHBondContact CD2-CE2 3.37Å; H175-F515 AromaticContact CD2-CG 3.97Å; H175-F515 AromaticContact CD2-CZ 3.47Å; H175-F515 VanDerWaalsContact CD2-CZ 3.47Å; H175-F515 WeakPolarHBondContact CD2-CZ 3.36Å; H175-F515 AromaticContact CG-CE1 3.72Å; H175-F515 AromaticContact CG-CZ 3.76Å; H175-F515 AromaticContact NE2-CE2 3.98Å
176P94Very high94.8Very high56 Ų5648.2 Ų48.236%0.36426%0.255SS..  trans-65.2130.1179.128.4-34.9000111.3N178 A179 F389P176-N178 VanDerWaalsContact C-N 3.34Å; P176-N178 PolarHBondContact O-N 3.23Å; P176-A179 HydrophobicContact CB-CB 4.42Å; P176-A179 HydrophobicContact CG-CB 4.05Å; P176-F389 HydrophobicContact CG-CD1 3.89Å; P176-F389 HydrophobicContact CG-CD2 4.13Å; P176-F389 HydrophobicContact CG-CE1 4.02Å; P176-F389 HydrophobicContact CG-CE2 4.25Å; P176-F389 HydrophobicContact CG-CG 3.93Å; P176-F389 HydrophobicContact CG-CZ 4.18Å
177D89.3Confident94.6Very high156 Ų15651.8 Ų51.883%0.83427%0.272SS*.SBendtrans-59.7-42.6-179-69.2-22.9000113.1H175H175-D177 PolarHBondContact O-N 3.07Å
178N88.2Confident94.6Very high160 Ų16050 Ų5086%0.85627%0.266SS*.SBendtrans-137.2101.2-179.7-64.9-73.3000109P176P176-N178 VanDerWaalsContact C-N 3.34Å; P176-N178 PolarHBondContact O-N 3.23Å
179A89.4Confident94.6Very high36 Ų3648.1 Ų48.130%0.29826%0.257SS..  trans-104.9145.817300000110.6P176 F389P176-A179 HydrophobicContact CB-CB 4.42Å; P176-A179 HydrophobicContact CG-CB 4.05Å; A179-F389 HydrophobicContact CB-CE1 3.57Å; A179-F389 HydrophobicContact CB-CZ 3.44Å; A179-F389 VanDerWaalsContact CB-CZ 3.44Å
180L91.4Very high94.6Very high98 Ų9852.8 Ų52.851%0.51328%0.282SS..  trans-66.8143.3166.4-67174.4000109.6T274 N277 R326L180-T274 HydrophobicContact CD2-CG2 4.37Å; L180-N277 HydrophobicContact CD1-CB 4.2Å; L180-N277 WeakPolarHBondContact CD1-ND2 3.49Å; L180-N277 WeakPolarHBondContact CD2-ND2 3.42Å; L180-R326 PolarHBondContact O-NH1 2.87Å; L180-R326 PolarHBondContact O-NH2 3Å
181E94Very high94.6Very high82 Ų8255.2 Ų55.238%0.38329%0.292SS..  trans-73.7143.2176.1-64.3-59.6160.700111.5L183 R326 P330E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 HydrophobicContact CB-CD1 4.35Å; E181-L183 HydrophobicContact CB-CD2 3.62Å; E181-L183 HydrophobicContact CB-CG 3.71Å; E181-L183 PolarHBondContact O-N 3.14Å; E181-L183 VanDerWaalsContact O-N 3.12Å; E181-R326 IonicContact OE2-NH1 3.75Å; E181-R326 PolarHBondContact OE2-NH1 2.9Å; E181-P330 HydrophobicContact CG-CG 4.16Å
182D96.3Very high94.6Very high24 Ų2455.2 Ų55.213%0.12829%0.292CS..  trans-88.365.2178.8-17423.4000110.5R184 V325 R326D182-R184 WeakPolarHBondContact OD1-CD 3.37Å; D182-R184 IonicContact OD1-CZ 2.65Å; D182-R184 IonicContact OD1-NE 2.82Å; D182-R184 PolarHBondContact OD1-NE 2.8Å; D182-R184 IonicContact OD1-NH2 3.05Å; D182-R184 IonicContact OD2-CZ 2.66Å; D182-R184 IonicContact OD2-NE 2.75Å; D182-R184 PolarHBondContact OD2-NE 2.9Å; D182-R184 IonicContact OD2-NH2 2.75Å; D182-R184 PolarHBondContact OD2-NH2 2.85Å; D182-R184 VanDerWaalsContact OD2-NH2 3.13Å; D182-V325 WeakPolarHBondContact OD2-CA 3.47Å; D182-R326 HydrophobicContact CB-CB 3.9Å; D182-R326 PolarHBondContact OD2-N 3.17Å
183L96.8Very high94.7Very high8 Ų857.7 Ų57.74%0.04230%0.301CS..  trans-81.1-12.3-171.9-55.5-176.4000114.1E181 L185 W214 I215 A275 I329 Y346E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 HydrophobicContact CB-CD1 4.35Å; E181-L183 HydrophobicContact CB-CD2 3.62Å; E181-L183 HydrophobicContact CB-CG 3.71Å; E181-L183 PolarHBondContact O-N 3.14Å; E181-L183 VanDerWaalsContact O-N 3.12Å; L183-L185 HydrophobicContact CB-CD1 4.23Å; L183-L185 HydrophobicContact CB-CG 4.09Å; L183-L185 HydrophobicContact CD1-CD1 4.21Å; L183-L185 PolarHBondContact O-N 3.45Å; L183-W214 HydrophobicContact CD1-CH2 3.48Å; L183-W214 VanDerWaalsContact CD1-CH2 3.48Å; L183-W214 HydrophobicContact CD1-CZ2 4.19Å; L183-W214 HydrophobicContact CD1-CZ3 4.31Å; L183-I215 HydrophobicContact CD2-CD1 3.76Å; L183-A275 HydrophobicContact CD1-CB 4.02Å; L183-I329 HydrophobicContact CD2-CG2 4.45Å; L183-Y346 PolarHBondContact O-OH 2.68Å
184R96.8Very high94.7Very high21 Ų2161.5 Ų61.58%0.07932%0.322CS..  trans4928.7178.5-58.4-66176110.86114.7D182 D186 Q187 P188 F189 L323 P324 V325D182-R184 WeakPolarHBondContact OD1-CD 3.37Å; D182-R184 IonicContact OD1-CZ 2.65Å; D182-R184 IonicContact OD1-NE 2.82Å; D182-R184 PolarHBondContact OD1-NE 2.8Å; D182-R184 IonicContact OD1-NH2 3.05Å; D182-R184 IonicContact OD2-CZ 2.66Å; D182-R184 IonicContact OD2-NE 2.75Å; D182-R184 PolarHBondContact OD2-NE 2.9Å; D182-R184 IonicContact OD2-NH2 2.75Å; D182-R184 PolarHBondContact OD2-NH2 2.85Å; D182-R184 VanDerWaalsContact OD2-NH2 3.13Å; R184-D186 VanDerWaalsContact C-N 3.31Å; R184-D186 PolarHBondContact O-N 3.15Å; R184-Q187 CarbonylContact O-C 3.55Å; R184-Q187 PolarHBondContact O-N 3.28Å; R184-P188 WeakPolarHBondContact O-CA 3.42Å; R184-P188 WeakPolarHBondContact O-CB 3.38Å; R184-P188 WeakPolarHBondContact O-CD 3.45Å; R184-F189 HydrophobicContact CB-CD1 4.26Å; R184-F189 HydrophobicContact CB-CE1 4.36Å; R184-F189 HydrophobicContact CG-CD1 4.3Å; R184-F189 HydrophobicContact CG-CE1 4.35Å; R184-L323 PolarHBondContact NH2-O 3.28Å; R184-P324 PolarHBondContact NH2-O 3.39Å; R184-V325 HydrophobicContact CG-CG2 4.36Å
185L95.6Very high94.8Very high10 Ų1062 Ų625%0.05232%0.324CS..SBendtrans-70.8-30.7-179.1-74.5171.3000112L183 F192 I215 V218 A219 L222 A275L183-L185 HydrophobicContact CB-CD1 4.23Å; L183-L185 HydrophobicContact CB-CG 4.09Å; L183-L185 HydrophobicContact CD1-CD1 4.21Å; L183-L185 PolarHBondContact O-N 3.45Å; L185-F192 HydrophobicContact CD2-CE1 3.95Å; L185-F192 HydrophobicContact CD2-CZ 3.89Å; L185-I215 HydrophobicContact CD2-CG2 4.1Å; L185-V218 HydrophobicContact CD1-CB 4.4Å; L185-V218 HydrophobicContact CD1-CG1 3.88Å; L185-A219 HydrophobicContact CD2-CB 3.67Å; L185-L222 HydrophobicContact CB-CD2 4.38Å; L185-L222 WeakPolarHBondContact O-CD2 3.08Å; L185-A275 HydrophobicContact CD1-CB 3.83Å
186D93.1Very high94.9Very high52 Ų5259.8 Ų59.828%0.27831%0.313SS..SBendtrans-77.8-29.8175.167.3-51.7000112.7R184 T279R184-D186 VanDerWaalsContact C-N 3.31Å; R184-D186 PolarHBondContact O-N 3.15Å; D186-T279 WeakPolarHBondContact OD1-CB 3.48Å; D186-T279 PolarHBondContact OD1-N 3.44Å; D186-T279 PolarHBondContact OD1-OG1 3.31Å; D186-T279 WeakPolarHBondContact OD2-CB 3.47Å; D186-T279 PolarHBondContact OD2-N 3.35Å
187Q93.6Very high95Very high86 Ų8662 Ų6240%0.40232%0.322SS..SBendtrans-135.668.4-179.3-65.8178.346.500111.2R184 T279 N322R184-Q187 CarbonylContact O-C 3.55Å; R184-Q187 PolarHBondContact O-N 3.28Å; Q187-T279 PolarHBondContact NE2-O 3.35Å; Q187-N322 PolarHBondContact OE1-ND2 2.99Å
188P95.7Very high95.3Very high32 Ų3258.6 Ų58.621%0.20831%0.311CS..  trans-70.7137-173.525.2-30.7000111.2R184 F192 K193R184-P188 WeakPolarHBondContact O-CA 3.42Å; R184-P188 WeakPolarHBondContact O-CB 3.38Å; R184-P188 WeakPolarHBondContact O-CD 3.45Å; P188-F192 HydrophobicContact CB-CD1 3.76Å; P188-F192 HydrophobicContact CB-CE1 4.33Å; P188-K193 HydrophobicContact CB-CG 3.8Å; P188-K193 HydrophobicContact CG-CD 4.44Å; P188-K193 HydrophobicContact CG-CG 3.83Å; P188-K193 WeakPolarHBondContact O-CE 3.35Å; P188-K193 PolarHBondContact O-NZ 2.82Å; P188-K193 VanDerWaalsContact O-NZ 3.09Å
189F96.8Very high95.6Very high22 Ų2251.9 Ų51.910%0.09627%0.273CS..  trans-77.3161.3171.654-87.8000110.9R184 E191 F192 K193 V325 I345 Y346 K349R184-F189 HydrophobicContact CB-CD1 4.26Å; R184-F189 HydrophobicContact CB-CE1 4.36Å; R184-F189 HydrophobicContact CG-CD1 4.3Å; R184-F189 HydrophobicContact CG-CE1 4.35Å; F189-E191 HydrophobicContact CD2-CB 4.06Å; F189-E191 WeakPolarHBondContact CD2-OE2 3.47Å; F189-E191 HydrophobicContact CE2-CB 4.12Å; F189-E191 PolarHBondContact O-N 2.91Å; F189-F192 HydrophobicContact CD1-CB 4.14Å; F189-F192 HydrophobicContact CD2-CB 3.8Å; F189-F192 HydrophobicContact CE1-CB 3.89Å; F189-F192 HydrophobicContact CE1-CD1 4.43Å; F189-F192 HydrophobicContact CE1-CG 4.44Å; F189-F192 HydrophobicContact CE2-CB 3.55Å; F189-F192 HydrophobicContact CG-CB 4.1Å; F189-F192 HydrophobicContact CZ-CB 3.6Å; F189-F192 HydrophobicContact CZ-CG 4.35Å; F189-F192 PolarHBondContact O-N 2.83Å; F189-K193 PolarHBondContact O-N 3.06Å; F189-V325 HydrophobicContact CD1-CG2 4.34Å; F189-V325 HydrophobicContact CE1-CG2 4.38Å; F189-I345 HydrophobicContact CE2-CG2 3.56Å; F189-I345 HydrophobicContact CZ-CG2 3.89Å; F189-Y346 HydrophobicContact CE1-CD1 4.32Å; F189-Y346 HydrophobicContact CE1-CE1 4.14Å; F189-Y346 HydrophobicContact CZ-CD1 4.34Å; F189-Y346 HydrophobicContact CZ-CE1 4.44Å; F189-Y346 HydrophobicContact CZ-CG 4.39Å; F189-K349 HydrophobicContact CD1-CG 4.16Å; F189-K349 HydrophobicContact CD2-CB 4.1Å; F189-K349 HydrophobicContact CD2-CD 4.08Å; F189-K349 HydrophobicContact CD2-CG 3.79Å; F189-K349 HydrophobicContact CE1-CG 4.18Å; F189-K349 HydrophobicContact CE2-CB 3.63Å; F189-K349 HydrophobicContact CE2-CD 4.48Å; F189-K349 HydrophobicContact CE2-CG 3.78Å; F189-K349 HydrophobicContact CG-CD 4.28Å; F189-K349 HydrophobicContact CG-CG 3.97Å; F189-K349 HydrophobicContact CZ-CB 3.87Å; F189-K349 HydrophobicContact CZ-CG 3.99Å
190D96.8Very high95.9Very high104 Ų10453.8 Ų53.856%0.55628%0.279SS*.Hα-helixtrans-63-41.1-164.9-67-24.1000113.3F192 K193 N194D190-F192 VanDerWaalsContact C-N 3.3Å; D190-F192 PolarHBondContact O-N 2.83Å; D190-K193 PolarHBondContact O-N 3.11Å; D190-K193 IonicContact OD1-NZ 3.04Å; D190-N194 WeakPolarHBondContact O-CB 3.31Å; D190-N194 PolarHBondContact O-N 2.89Å; D190-N194 PolarHBondContact O-ND2 3.38Å; D190-N194 VanDerWaalsContact O-ND2 3.15Å
191E97.8Very high96Very high76 Ų7650 Ų5036%0.35526%0.259SS..Hα-helixtrans-61.3-39.9175.3-62.384.5171.100111.6F189 N194 H195 I345F189-E191 HydrophobicContact CD2-CB 4.06Å; F189-E191 WeakPolarHBondContact CD2-OE2 3.47Å; F189-E191 HydrophobicContact CE2-CB 4.12Å; F189-E191 PolarHBondContact O-N 2.91Å; E191-N194 PolarHBondContact O-N 2.81Å; E191-H195 WeakPolarHBondContact O-CB 3.49Å; E191-H195 PolarHBondContact O-N 2.73Å; E191-I345 HydrophobicContact CB-CG2 4.24Å
192F97.8Very high95.8Very high0 Ų052.3 Ų52.30%028%0.279CS..Hα-helixtrans-70.7-41.1177-177.6-142.3000112L185 P188 F189 D190 N194 H195 I196 I215 I216 L342 I345 Y346L185-F192 HydrophobicContact CD2-CE1 3.95Å; L185-F192 HydrophobicContact CD2-CZ 3.89Å; P188-F192 HydrophobicContact CB-CD1 3.76Å; P188-F192 HydrophobicContact CB-CE1 4.33Å; F189-F192 HydrophobicContact CD1-CB 4.14Å; F189-F192 HydrophobicContact CD2-CB 3.8Å; F189-F192 HydrophobicContact CE1-CB 3.89Å; F189-F192 HydrophobicContact CE1-CD1 4.43Å; F189-F192 HydrophobicContact CE1-CG 4.44Å; F189-F192 HydrophobicContact CE2-CB 3.55Å; F189-F192 HydrophobicContact CG-CB 4.1Å; F189-F192 HydrophobicContact CZ-CB 3.6Å; F189-F192 HydrophobicContact CZ-CG 4.35Å; F189-F192 PolarHBondContact O-N 2.83Å; D190-F192 VanDerWaalsContact C-N 3.3Å; D190-F192 PolarHBondContact O-N 2.83Å; F192-N194 VanDerWaalsContact C-N 3.33Å; F192-N194 PolarHBondContact O-N 3.07Å; F192-H195 PolarHBondContact O-N 3.29Å; F192-I196 HydrophobicContact CD1-CD1 3.99Å; F192-I196 HydrophobicContact CD2-CD1 3.98Å; F192-I196 HydrophobicContact CD2-CG1 4Å; F192-I196 HydrophobicContact CE1-CD1 3.81Å; F192-I196 HydrophobicContact CE2-CD1 3.78Å; F192-I196 HydrophobicContact CE2-CG1 3.71Å; F192-I196 HydrophobicContact CG-CD1 4.06Å; F192-I196 HydrophobicContact CZ-CD1 3.69Å; F192-I196 HydrophobicContact CZ-CG1 4.05Å; F192-I196 WeakPolarHBondContact O-CD1 3.36Å; F192-I196 VanDerWaalsContact O-CG1 3.28Å; F192-I196 WeakPolarHBondContact O-CG1 3.44Å; F192-I196 PolarHBondContact O-N 2.8Å; F192-I215 HydrophobicContact CE2-CG2 4.22Å; F192-I215 HydrophobicContact CZ-CG2 3.7Å; F192-I216 HydrophobicContact CE2-CD1 4.16Å; F192-L342 HydrophobicContact CD2-CD1 4.19Å; F192-L342 HydrophobicContact CE2-CD1 3.79Å; F192-I345 HydrophobicContact CB-CG2 4.23Å; F192-Y346 HydrophobicContact CD2-CE2 4.17Å; F192-Y346 WeakPolarHBondContact CE1-OH 3.46Å; F192-Y346 HydrophobicContact CE2-CE2 4.15Å; F192-Y346 HydrophobicContact CG-CE2 4.49Å; F192-Y346 HydrophobicContact CZ-CE2 4.42Å; F192-Y346 WeakPolarHBondContact CZ-OH 3.37Å
193K97.1Very high95.5Very high86 Ų8655.4 Ų55.437%0.37430%0.302SS..Hα-helixtrans-56.8-47.3171.6-70.6176.8-177.9142.10111.4P188 F189 D190 H195 I196 N197P188-K193 HydrophobicContact CB-CG 3.8Å; P188-K193 HydrophobicContact CG-CD 4.44Å; P188-K193 HydrophobicContact CG-CG 3.83Å; P188-K193 WeakPolarHBondContact O-CE 3.35Å; P188-K193 PolarHBondContact O-NZ 2.82Å; P188-K193 VanDerWaalsContact O-NZ 3.09Å; F189-K193 PolarHBondContact O-N 3.06Å; D190-K193 PolarHBondContact O-N 3.11Å; D190-K193 IonicContact OD1-NZ 3.04Å; K193-H195 VanDerWaalsContact C-N 3.28Å; K193-H195 PolarHBondContact O-N 3.17Å; K193-I196 PolarHBondContact O-N 3.48Å; K193-N197 WeakPolarHBondContact O-CB 3.45Å; K193-N197 PolarHBondContact O-N 3.44Å; K193-N197 PolarHBondContact O-ND2 3.35Å
194N97.6Very high95.3Very high108 Ų10857.4 Ų57.458%0.57831%0.312SS*.Hα-helixtrans-60.8-40.6178.2-70.3-26.7000111.4D190 E191 F192 N197 S198D190-N194 WeakPolarHBondContact O-CB 3.31Å; D190-N194 PolarHBondContact O-N 2.89Å; D190-N194 PolarHBondContact O-ND2 3.38Å; D190-N194 VanDerWaalsContact O-ND2 3.15Å; E191-N194 PolarHBondContact O-N 2.81Å; F192-N194 VanDerWaalsContact C-N 3.33Å; F192-N194 PolarHBondContact O-N 3.07Å; N194-N197 PolarHBondContact O-N 3.21Å; N194-S198 PolarHBondContact O-N 2.95Å; N194-S198 VanDerWaalsContact O-N 3.12Å
195H97.4Very high95.1Very high24 Ų2463.3 Ų63.311%0.11134%0.34CS..Hα-helixtrans-66.4-46.1175.9-173.466.3000112.5E191 F192 K193 N197 S198 Y199 I345E191-H195 WeakPolarHBondContact O-CB 3.49Å; E191-H195 PolarHBondContact O-N 2.73Å; F192-H195 PolarHBondContact O-N 3.29Å; K193-H195 VanDerWaalsContact C-N 3.28Å; K193-H195 PolarHBondContact O-N 3.17Å; H195-N197 VanDerWaalsContact C-N 3.26Å; H195-N197 PolarHBondContact O-N 2.86Å; H195-S198 WeakPolarHBondContact O-CB 3.37Å; H195-S198 PolarHBondContact O-N 3.22Å; H195-S198 PolarHBondContact O-OG 3.31Å; H195-Y199 AromaticContact CE1-CE2 3.66Å; H195-Y199 AromaticContact NE2-CE2 3.6Å; H195-Y199 VanDerWaalsContact O-CD2 3.31Å; H195-Y199 WeakPolarHBondContact O-CD2 3.41Å; H195-I345 HydrophobicContact CB-CD1 3.37Å; H195-I345 WeakPolarHBondContact CD2-CD1 3.3Å; H195-I345 VanDerWaalsContact ND1-CD1 3.34Å; H195-I345 WeakPolarHBondContact ND1-CD1 3.34Å
196I96.9Very high94.9Very high14 Ų1468.1 Ų68.17%0.07236%0.361CS..Hα-helixtrans-54.2-47.3173.1-66.4157.4000109.4F192 K193 S198 Y199 I216 A219 K220F192-I196 HydrophobicContact CD1-CD1 3.99Å; F192-I196 HydrophobicContact CD2-CD1 3.98Å; F192-I196 HydrophobicContact CD2-CG1 4Å; F192-I196 HydrophobicContact CE1-CD1 3.81Å; F192-I196 HydrophobicContact CE2-CD1 3.78Å; F192-I196 HydrophobicContact CE2-CG1 3.71Å; F192-I196 HydrophobicContact CG-CD1 4.06Å; F192-I196 HydrophobicContact CZ-CD1 3.69Å; F192-I196 HydrophobicContact CZ-CG1 4.05Å; F192-I196 WeakPolarHBondContact O-CD1 3.36Å; F192-I196 VanDerWaalsContact O-CG1 3.28Å; F192-I196 WeakPolarHBondContact O-CG1 3.44Å; F192-I196 PolarHBondContact O-N 2.8Å; K193-I196 PolarHBondContact O-N 3.48Å; I196-S198 PolarHBondContact O-N 3.12Å; I196-Y199 PolarHBondContact O-N 2.91Å; I196-Y199 VanDerWaalsContact O-N 3.14Å; I196-I216 HydrophobicContact CG1-CD1 4.19Å; I196-A219 HydrophobicContact CD1-CB 3.66Å; I196-A219 HydrophobicContact CG1-CB 3.79Å; I196-A219 HydrophobicContact CG2-CB 4.02Å; I196-K220 HydrophobicContact CG2-CD 3.89Å; I196-K220 HydrophobicContact CG2-CG 4.32Å; I196-K220 WeakPolarHBondContact O-CE 3.44Å; I196-K220 PolarHBondContact O-NZ 3.41Å
197N95.9Very high94.9Very high102 Ų10272.6 Ų72.655%0.54538%0.378SS..Hα-helixtrans-62.4-25.1-179.6-70.2-20.2000114K193 N194 H195 Y199K193-N197 WeakPolarHBondContact O-CB 3.45Å; K193-N197 PolarHBondContact O-N 3.44Å; K193-N197 PolarHBondContact O-ND2 3.35Å; N194-N197 PolarHBondContact O-N 3.21Å; H195-N197 VanDerWaalsContact C-N 3.26Å; H195-N197 PolarHBondContact O-N 2.86Å; N197-Y199 PolarHBondContact O-N 3.49Å
198S95.8Very high94.9Very high85 Ų8571.6 Ų71.659%0.59438%0.375SS*.THydrogen-bonded Turntrans-69.9-16.1177.176.60000114.4N194 H195 I196N194-S198 PolarHBondContact O-N 2.95Å; N194-S198 VanDerWaalsContact O-N 3.12Å; H195-S198 WeakPolarHBondContact O-CB 3.37Å; H195-S198 PolarHBondContact O-N 3.22Å; H195-S198 PolarHBondContact O-OG 3.31Å; I196-S198 PolarHBondContact O-N 3.12Å
199Y95.6Very high94.9Very high19 Ų1970.3 Ų70.38%0.07537%0.366CS..  trans-89.5135.2177-73.4-105.5000111H195 I196 N197 M204 T212 I216 K220 K338H195-Y199 AromaticContact CE1-CE2 3.66Å; H195-Y199 AromaticContact NE2-CE2 3.6Å; H195-Y199 VanDerWaalsContact O-CD2 3.31Å; H195-Y199 WeakPolarHBondContact O-CD2 3.41Å; I196-Y199 PolarHBondContact O-N 2.91Å; I196-Y199 VanDerWaalsContact O-N 3.14Å; N197-Y199 PolarHBondContact O-N 3.49Å; Y199-M204 HydrophobicContact CD1-CE 3.6Å; Y199-M204 HydrophobicContact CD1-SD 4.47Å; Y199-M204 HydrophobicContact CE1-CE 4.12Å; Y199-M204 HydrophobicContact CG-CE 4.49Å; Y199-T212 HydrophobicContact CD1-CG2 3.97Å; Y199-T212 HydrophobicContact CE1-CG2 3.98Å; Y199-I216 HydrophobicContact CD1-CG2 3.82Å; Y199-I216 HydrophobicContact CD2-CG2 3.82Å; Y199-I216 HydrophobicContact CE1-CG2 4.27Å; Y199-I216 HydrophobicContact CE2-CD1 4.28Å; Y199-I216 HydrophobicContact CE2-CG1 4.25Å; Y199-I216 HydrophobicContact CE2-CG2 4.27Å; Y199-I216 HydrophobicContact CG-CG2 3.6Å; Y199-K220 WeakPolarHBondContact O-CE 3.46Å; Y199-K220 PolarHBondContact O-NZ 2.87Å; Y199-K338 HydrophobicContact CE1-CD 4.24Å
200D94.5Very high94.9Very high76 Ų7670.6 Ų70.641%0.40637%0.371SS..  trans-119.697.5165.8-175.9-7.5000109T202 S203 M204D200-T202 PolarHBondContact O-N 3.02Å; D200-T202 WeakPolarHBondContact OD1-CB 3.06Å; D200-T202 PolarHBondContact OD1-N 3.45Å; D200-T202 PolarHBondContact OD1-OG1 3.47Å; D200-S203 PolarHBondContact OD1-N 3.4Å; D200-S203 PolarHBondContact OD2-OG 3.45Å; D200-M204 WeakPolarHBondContact O-CG 3.38Å; D200-M204 PolarHBondContact O-N 3.19Å
201L93.3Very high94.8Very high19 Ų1968.9 Ų68.910%0.09936%0.36CS..THydrogen-bonded Turntrans-66.3-19.6-179.1-61.2-178.6000112.6M204 H209 T212 K220 Y221L201-M204 HydrophobicContact CD2-SD 4.17Å; L201-H209 PolarHBondContact O-CD2 3.33Å; L201-T212 HydrophobicContact CD2-CG2 4.05Å; L201-K220 HydrophobicContact CD1-CB 3.72Å; L201-K220 HydrophobicContact CD1-CG 3.9Å; L201-K220 HydrophobicContact CG-CG 4.22Å; L201-Y221 HydrophobicContact CD1-CE2 4.01Å
202T90.3Very high94.8Very high131 Ų13165.3 Ų65.380%0.80434%0.343SS*.THydrogen-bonded Turntrans-83.3-29.1-17568.60000112.9D200D200-T202 PolarHBondContact O-N 3.02Å; D200-T202 WeakPolarHBondContact OD1-CB 3.06Å; D200-T202 PolarHBondContact OD1-N 3.45Å; D200-T202 PolarHBondContact OD1-OG1 3.47Å
203S90.6Very high94.8Very high89 Ų8965.3 Ų65.362%0.62234%0.343SS*.THydrogen-bonded Turntrans-104.3-0.3-17776.80000113.8D200D200-S203 PolarHBondContact OD1-N 3.4Å; D200-S203 PolarHBondContact OD2-OG 3.45Å
204M92.1Very high94.8Very high49 Ų4961.3 Ų61.324%0.24133%0.326CS..  trans-69.5144.3-176.8-91.8178.2161.800112.5Y199 D200 L201 D208 H209Y199-M204 HydrophobicContact CD1-CE 3.6Å; Y199-M204 HydrophobicContact CD1-SD 4.47Å; Y199-M204 HydrophobicContact CE1-CE 4.12Å; Y199-M204 HydrophobicContact CG-CE 4.49Å; D200-M204 WeakPolarHBondContact O-CG 3.38Å; D200-M204 PolarHBondContact O-N 3.19Å; L201-M204 HydrophobicContact CD2-SD 4.17Å; M204-D208 HydrophobicContact CB-CB 4.45Å; M204-D208 HydrophobicContact CG-CB 4.33Å; M204-H209 HydrophobicContact CB-CB 4.26Å
205E93.3Very high94.9Very high145 Ų14556.2 Ų56.268%0.67830%0.298SS*.  trans-64.2150.4167.8-65-169173.600110.5K207 D208 H209E205-K207 PolarHBondContact O-N 3.41Å; E205-K207 VanDerWaalsContact O-N 3.11Å; E205-D208 WeakPolarHBondContact O-CA 3.14Å; E205-D208 PolarHBondContact O-N 2.84Å; E205-H209 PolarHBondContact O-N 3.18Å
206K91.3Very high94.9Very high112 Ų11255 Ų5549%0.48729%0.293SS..Hα-helixtrans-48.5-45.3-177.5-178.8179.5177.5178.70112.9D208 H209 S210 L252 E260K206-D208 PolarHBondContact O-N 2.94Å; K206-H209 PolarHBondContact O-N 3.17Å; K206-S210 PolarHBondContact O-N 3.04Å; K206-S210 PolarHBondContact O-OG 3.45Å; K206-L252 HydrophobicContact CB-CD1 4.19Å; K206-L252 HydrophobicContact CG-CD1 4.17Å; K206-E260 WeakPolarHBondContact CE-OE2 3.38Å; K206-E260 IonicContact NZ-OE1 2.86Å; K206-E260 PolarHBondContact NZ-OE1 3.39Å; K206-E260 IonicContact NZ-OE2 3.45Å; K206-E260 PolarHBondContact NZ-OE2 2.97Å
207K92.1Very high94.9Very high146 Ų14654.4 Ų54.464%0.63529%0.29SS*.Hα-helixtrans-64.6-40.6179.5-175.1-176.7175.3-170.70111.6E205 S210 H211E205-K207 PolarHBondContact O-N 3.41Å; E205-K207 VanDerWaalsContact O-N 3.11Å; K207-S210 PolarHBondContact O-OG 3.27Å; K207-H211 PolarHBondContact O-N 3.45Å; K207-H211 PolarHBondContact O-ND1 3.4Å
208D93.8Very high95Very high65 Ų6549.5 Ų49.535%0.34826%0.264SS..Hα-helixtrans-71.9-36.3-179.9-84.2-47.4000112.4M204 E205 K206 H211 T212 K338M204-D208 HydrophobicContact CB-CB 4.45Å; M204-D208 HydrophobicContact CG-CB 4.33Å; E205-D208 WeakPolarHBondContact O-CA 3.14Å; E205-D208 PolarHBondContact O-N 2.84Å; K206-D208 PolarHBondContact O-N 2.94Å; D208-H211 PolarHBondContact O-N 3.33Å; D208-T212 PolarHBondContact O-N 3.32Å; D208-T212 PolarHBondContact O-OG1 2.76Å; D208-K338 VanDerWaalsContact CA-NZ 3.33Å; D208-K338 PolarHBondContact O-NZ 2.91Å; D208-K338 IonicContact OD1-NZ 3.51Å; D208-K338 PolarHBondContact OD1-NZ 2.9Å
209H96.6Very high95.1Very high4 Ų445.9 Ų45.92%0.01924%0.238CC..Hα-helixtrans-61.3-50.6175-171.5-94.7000111.4L201 M204 E205 K206 H211 T212 G250 L252 E262 N264 F265L201-H209 PolarHBondContact O-CD2 3.33Å; M204-H209 HydrophobicContact CB-CB 4.26Å; E205-H209 PolarHBondContact O-N 3.18Å; K206-H209 PolarHBondContact O-N 3.17Å; H209-H211 PolarHBondContact O-N 2.99Å; H209-T212 WeakPolarHBondContact O-CB 3.4Å; H209-T212 PolarHBondContact O-N 3.42Å; H209-T212 PolarHBondContact O-OG1 3.19Å; H209-G250 PolarHBondContact CE1-O 3.32Å; H209-L252 HydrophobicContact CB-CD1 3.91Å; H209-E262 IonicContact CE1-OE1 2.85Å; H209-E262 IonicContact CE1-OE2 3.39Å; H209-E262 PolarHBondContact CE1-OE2 3.25Å; H209-E262 IonicContact CG-OE1 2.63Å; H209-E262 VanDerWaalsContact ND1-CD 3.25Å; H209-E262 IonicContact ND1-OE1 2.73Å; H209-E262 PolarHBondContact ND1-OE1 2.92Å; H209-E262 IonicContact ND1-OE2 3.48Å; H209-E262 PolarHBondContact ND1-OE2 2.79Å; H209-N264 PolarHBondContact O-ND2 3.35Å; H209-F265 AromaticContact CE1-CE2 3.08Å; H209-F265 WeakPolarHBondContact CE1-CE2 3.34Å; H209-F265 AromaticContact CE1-CZ 3.17Å; H209-F265 WeakPolarHBondContact CE1-CZ 3.24Å; H209-F265 AromaticContact ND1-CE2 3.58Å; H209-F265 AromaticContact NE2-CE2 3.6Å; H209-F265 AromaticContact NE2-CZ 3.32Å; H209-F265 VanDerWaalsContact NE2-CZ 3.32Å; H209-F265 WeakPolarHBondContact NE2-CZ 3.48Å
210S95.6Very high95.1Very high28 Ų2847 Ų4720%0.19624%0.244CC..Hα-helixtrans-72-10-17977.50000115K206 K207 N264K206-S210 PolarHBondContact O-N 3.04Å; K206-S210 PolarHBondContact O-OG 3.45Å; K207-S210 PolarHBondContact O-OG 3.27Å; S210-N264 VanDerWaalsContact C-ND2 3.33Å; S210-N264 PolarHBondContact O-ND2 2.91Å; S210-N264 PolarHBondContact O-OD1 3.42Å
211H95.6Very high95.3Very high69 Ų6944.7 Ų44.732%0.31923%0.229SC..THydrogen-bonded Turntrans-115.922.5176.8-64.8104.8000112K207 D208 H209 A334 D335 K338K207-H211 PolarHBondContact O-N 3.45Å; K207-H211 PolarHBondContact O-ND1 3.4Å; D208-H211 PolarHBondContact O-N 3.33Å; H209-H211 PolarHBondContact O-N 2.99Å; H211-A334 WeakPolarHBondContact O-CA 3.43Å; H211-D335 HydrophobicContact CB-CB 4Å; H211-D335 PolarHBondContact O-N 2.91Å; H211-K338 WeakPolarHBondContact O-CD 3.45Å
212T97.3Very high95.4Very high0 Ų044.1 Ų44.10%023%0.226CC..SBendtrans-84.2131.4174.1-670000110.1Y199 L201 D208 H209 W214 I216 I217 N264Y199-T212 HydrophobicContact CD1-CG2 3.97Å; Y199-T212 HydrophobicContact CE1-CG2 3.98Å; L201-T212 HydrophobicContact CD2-CG2 4.05Å; D208-T212 PolarHBondContact O-N 3.32Å; D208-T212 PolarHBondContact O-OG1 2.76Å; H209-T212 WeakPolarHBondContact O-CB 3.4Å; H209-T212 PolarHBondContact O-N 3.42Å; H209-T212 PolarHBondContact O-OG1 3.19Å; T212-W214 PolarHBondContact O-N 3.46Å; T212-I216 HydrophobicContact CG2-CB 3.97Å; T212-I216 HydrophobicContact CG2-CG2 3.94Å; T212-I217 HydrophobicContact CG2-CG1 4.15Å; T212-N264 PolarHBondContact N-ND2 3.46Å; T212-N264 PolarHBondContact O-ND2 3.3Å
213P98Very high95.6Very high0 Ų041.6 Ų41.60%021%0.208CC..  trans-51.2134.3176.4-27.733.7000112.8I215 I216 I217 M332 A334 K338 L342P213-I215 PolarHBondContact O-N 2.9Å; P213-I215 VanDerWaalsContact O-N 3.17Å; P213-I216 HydrophobicContact CB-CG1 4.12Å; P213-I216 HydrophobicContact CG-CG1 4.4Å; P213-I216 WeakPolarHBondContact O-CB 3.37Å; P213-I216 PolarHBondContact O-N 3.01Å; P213-I217 PolarHBondContact O-N 3.38Å; P213-M332 HydrophobicContact CB-CG 4.46Å; P213-M332 HydrophobicContact CB-SD 3.6Å; P213-M332 VanDerWaalsContact CB-SD 3.6Å; P213-A334 HydrophobicContact CB-CB 4.26Å; P213-A334 HydrophobicContact CG-CB 3.73Å; P213-K338 HydrophobicContact CG-CB 4.08Å; P213-L342 HydrophobicContact CB-CD2 3.79Å; P213-L342 HydrophobicContact CG-CD2 4.23Å
214W97.9Very high95.8Very high3 Ų343.2 Ų43.21%0.01120%0.201CC..Hα-helixtrans-61.2-29.9-177.375.7-106.4000112.8L183 T212 I216 I217 V218 N264 E267 A268 N271 A275 P330 M332L183-W214 HydrophobicContact CD1-CH2 3.48Å; L183-W214 VanDerWaalsContact CD1-CH2 3.48Å; L183-W214 HydrophobicContact CD1-CZ2 4.19Å; L183-W214 HydrophobicContact CD1-CZ3 4.31Å; T212-W214 PolarHBondContact O-N 3.46Å; W214-I216 VanDerWaalsContact C-N 3.27Å; W214-I216 PolarHBondContact O-N 3.24Å; W214-I217 WeakPolarHBondContact O-CB 3.36Å; W214-I217 PolarHBondContact O-N 3.08Å; W214-V218 HydrophobicContact CE3-CB 4.43Å; W214-V218 HydrophobicContact CE3-CG2 3.7Å; W214-V218 HydrophobicContact CZ3-CB 4.49Å; W214-V218 HydrophobicContact CZ3-CG2 3.96Å; W214-V218 WeakPolarHBondContact O-CG2 3.35Å; W214-V218 PolarHBondContact O-N 2.84Å; W214-N264 WeakPolarHBondContact CB-O 3.33Å; W214-E267 HydrophobicContact CB-CB 4.28Å; W214-E267 HydrophobicContact CB-CG 4.35Å; W214-E267 HydrophobicContact CG-CB 4.48Å; W214-E267 HydrophobicContact CG-CG 4.02Å; W214-E267 PolarHBondContact NE1-OE1 3.25Å; W214-A268 HydrophobicContact CB-CB 3.91Å; W214-N271 HydrophobicContact CD2-CB 4.13Å; W214-N271 HydrophobicContact CE3-CB 3.79Å; W214-N271 HydrophobicContact CH2-CB 3.51Å; W214-N271 HydrophobicContact CZ2-CB 3.84Å; W214-N271 HydrophobicContact CZ3-CB 3.49Å; W214-N271 VanDerWaalsContact CZ3-CB 3.49Å; W214-A275 HydrophobicContact CH2-CB 3.74Å; W214-A275 HydrophobicContact CZ3-CB 3.56Å; W214-P330 HydrophobicContact CZ2-CG 4.32Å; W214-M332 HydrophobicContact CG-SD 4.4Å
215I98Very high96Very high0 Ų041.2 Ų41.20%019%0.19CC..Hα-helixtrans-57.7-42.3173.8-68.3177.6000110.6L183 L185 F192 P213 V218 A219 I329 M332 L342L183-I215 HydrophobicContact CD2-CD1 3.76Å; L185-I215 HydrophobicContact CD2-CG2 4.1Å; F192-I215 HydrophobicContact CE2-CG2 4.22Å; F192-I215 HydrophobicContact CZ-CG2 3.7Å; P213-I215 PolarHBondContact O-N 2.9Å; P213-I215 VanDerWaalsContact O-N 3.17Å; I215-V218 PolarHBondContact O-N 2.69Å; I215-A219 VanDerWaalsContact O-CB 3.3Å; I215-A219 WeakPolarHBondContact O-CB 3.43Å; I215-A219 PolarHBondContact O-N 2.94Å; I215-I329 HydrophobicContact CD1-CB 4.24Å; I215-I329 HydrophobicContact CD1-CG2 4.24Å; I215-M332 HydrophobicContact CD1-CE 3.45Å; I215-M332 VanDerWaalsContact CD1-CE 3.45Å; I215-M332 HydrophobicContact CD1-SD 4.25Å; I215-M332 HydrophobicContact CG1-CE 3.87Å; I215-M332 HydrophobicContact CG1-SD 4.17Å; I215-L342 HydrophobicContact CB-CD2 4.09Å; I215-L342 HydrophobicContact CD1-CD2 4.28Å; I215-L342 HydrophobicContact CG2-CD2 4.32Å
216I97.9Very high96Very high0 Ų036.5 Ų36.50%017%0.17CC..Hα-helixtrans-69.1-39.5178.6-60.9-61000110.6F192 I196 Y199 T212 P213 W214 A219 K220 L342F192-I216 HydrophobicContact CE2-CD1 4.16Å; I196-I216 HydrophobicContact CG1-CD1 4.19Å; Y199-I216 HydrophobicContact CD1-CG2 3.82Å; Y199-I216 HydrophobicContact CD2-CG2 3.82Å; Y199-I216 HydrophobicContact CE1-CG2 4.27Å; Y199-I216 HydrophobicContact CE2-CD1 4.28Å; Y199-I216 HydrophobicContact CE2-CG1 4.25Å; Y199-I216 HydrophobicContact CE2-CG2 4.27Å; Y199-I216 HydrophobicContact CG-CG2 3.6Å; T212-I216 HydrophobicContact CG2-CB 3.97Å; T212-I216 HydrophobicContact CG2-CG2 3.94Å; P213-I216 HydrophobicContact CB-CG1 4.12Å; P213-I216 HydrophobicContact CG-CG1 4.4Å; P213-I216 WeakPolarHBondContact O-CB 3.37Å; P213-I216 PolarHBondContact O-N 3.01Å; W214-I216 VanDerWaalsContact C-N 3.27Å; W214-I216 PolarHBondContact O-N 3.24Å; I216-A219 PolarHBondContact O-N 3.22Å; I216-K220 HydrophobicContact CG2-CG 4.39Å; I216-K220 WeakPolarHBondContact O-CB 3.5Å; I216-K220 WeakPolarHBondContact O-CG 3.42Å; I216-K220 PolarHBondContact O-N 2.92Å; I216-L342 HydrophobicContact CD1-CD1 4.09Å; I216-L342 HydrophobicContact CG1-CD2 4.36Å
217I97.9Very high96.1Very high0 Ų037.1 Ų37.10%018%0.178CC..Hα-helixtrans-57.7-56.2174.1-65169.8000109.2T212 P213 W214 A219 K220 Y221 I247 N264 F265 A268T212-I217 HydrophobicContact CG2-CG1 4.15Å; P213-I217 PolarHBondContact O-N 3.38Å; W214-I217 WeakPolarHBondContact O-CB 3.36Å; W214-I217 PolarHBondContact O-N 3.08Å; I217-A219 VanDerWaalsContact C-N 3.3Å; I217-A219 PolarHBondContact O-N 3.23Å; I217-K220 PolarHBondContact O-N 3.49Å; I217-Y221 HydrophobicContact CG2-CD2 3.78Å; I217-Y221 HydrophobicContact CG2-CE2 3.95Å; I217-Y221 VanDerWaalsContact O-CD2 3.25Å; I217-Y221 WeakPolarHBondContact O-CD2 3.22Å; I217-Y221 PolarHBondContact O-N 3.42Å; I217-I247 HydrophobicContact CG2-CG2 3.9Å; I217-N264 HydrophobicContact CD1-CB 4.22Å; I217-N264 WeakPolarHBondContact CD1-ND2 3.41Å; I217-F265 HydrophobicContact CD1-CD1 4.48Å; I217-F265 HydrophobicContact CD1-CD2 3.58Å; I217-F265 HydrophobicContact CD1-CE1 4.46Å; I217-F265 HydrophobicContact CD1-CE2 3.52Å; I217-F265 HydrophobicContact CD1-CG 4.06Å; I217-F265 HydrophobicContact CD1-CZ 3.99Å; I217-F265 HydrophobicContact CG1-CE2 4.14Å; I217-F265 HydrophobicContact CG1-CZ 4.16Å; I217-F265 HydrophobicContact CG2-CD1 3.98Å; I217-F265 HydrophobicContact CG2-CE1 3.77Å; I217-F265 HydrophobicContact CG2-CZ 4.13Å; I217-A268 HydrophobicContact CB-CB 4.1Å; I217-A268 HydrophobicContact CG2-CB 3.77Å
218V97.8Very high96.3Very high0 Ų035 Ų350%017%0.171CC..Hα-helixtrans-57.6-43.7179.61750000111.1L185 W214 I215 K220 Y221 L222 F243 I247 A268 L276L185-V218 HydrophobicContact CD1-CB 4.4Å; L185-V218 HydrophobicContact CD1-CG1 3.88Å; W214-V218 HydrophobicContact CE3-CB 4.43Å; W214-V218 HydrophobicContact CE3-CG2 3.7Å; W214-V218 HydrophobicContact CZ3-CB 4.49Å; W214-V218 HydrophobicContact CZ3-CG2 3.96Å; W214-V218 WeakPolarHBondContact O-CG2 3.35Å; W214-V218 PolarHBondContact O-N 2.84Å; I215-V218 PolarHBondContact O-N 2.69Å; V218-K220 PolarHBondContact O-N 3.44Å; V218-Y221 PolarHBondContact O-N 2.95Å; V218-L222 WeakPolarHBondContact O-CB 3.4Å; V218-L222 PolarHBondContact O-N 3.22Å; V218-F243 HydrophobicContact CG1-CE1 4.19Å; V218-F243 HydrophobicContact CG1-CZ 4.33Å; V218-I247 HydrophobicContact CG2-CD1 4.34Å; V218-A268 HydrophobicContact CG2-CB 3.87Å; V218-L276 HydrophobicContact CG1-CD2 4Å
219A97.3Very high96.3Very high8 Ų835.3 Ų35.37%0.06617%0.17CC..Hα-helixtrans-60.1-44.5178.200000113L185 I196 I215 I216 I217 L222 D223L185-A219 HydrophobicContact CD2-CB 3.67Å; I196-A219 HydrophobicContact CD1-CB 3.66Å; I196-A219 HydrophobicContact CG1-CB 3.79Å; I196-A219 HydrophobicContact CG2-CB 4.02Å; I215-A219 VanDerWaalsContact O-CB 3.3Å; I215-A219 WeakPolarHBondContact O-CB 3.43Å; I215-A219 PolarHBondContact O-N 2.94Å; I216-A219 PolarHBondContact O-N 3.22Å; I217-A219 VanDerWaalsContact C-N 3.3Å; I217-A219 PolarHBondContact O-N 3.23Å; A219-L222 PolarHBondContact O-N 3.45Å; A219-D223 PolarHBondContact O-N 3.48Å
220K96.8Very high96Very high44 Ų4442.7 Ų42.719%0.19121%0.21CC..Hα-helixtrans-65.4-45.1178.9-76.4-63.2-162.8-176.80112.7I196 Y199 L201 I216 I217 V218 L222 D223 R224I196-K220 HydrophobicContact CG2-CD 3.89Å; I196-K220 HydrophobicContact CG2-CG 4.32Å; I196-K220 WeakPolarHBondContact O-CE 3.44Å; I196-K220 PolarHBondContact O-NZ 3.41Å; Y199-K220 WeakPolarHBondContact O-CE 3.46Å; Y199-K220 PolarHBondContact O-NZ 2.87Å; L201-K220 HydrophobicContact CD1-CB 3.72Å; L201-K220 HydrophobicContact CD1-CG 3.9Å; L201-K220 HydrophobicContact CG-CG 4.22Å; I216-K220 HydrophobicContact CG2-CG 4.39Å; I216-K220 WeakPolarHBondContact O-CB 3.5Å; I216-K220 WeakPolarHBondContact O-CG 3.42Å; I216-K220 PolarHBondContact O-N 2.92Å; I217-K220 PolarHBondContact O-N 3.49Å; V218-K220 PolarHBondContact O-N 3.44Å; K220-L222 VanDerWaalsContact C-N 3.31Å; K220-D223 PolarHBondContact O-N 3.33Å; K220-R224 PolarHBondContact O-N 3.22Å
221Y97Very high95.7Very high26 Ų2643.5 Ų43.510%0.10222%0.222CC..Hα-helixtrans-69.4-32.9176.6-77.7-79.8000111.5L201 I217 V218 R224 W225 F243 M246 I247 G250 F265L201-Y221 HydrophobicContact CD1-CE2 4.01Å; I217-Y221 HydrophobicContact CG2-CD2 3.78Å; I217-Y221 HydrophobicContact CG2-CE2 3.95Å; I217-Y221 VanDerWaalsContact O-CD2 3.25Å; I217-Y221 WeakPolarHBondContact O-CD2 3.22Å; I217-Y221 PolarHBondContact O-N 3.42Å; V218-Y221 PolarHBondContact O-N 2.95Å; Y221-R224 PolarHBondContact O-N 3.29Å; Y221-W225 WeakPolarHBondContact O-CB 3.42Å; Y221-W225 PolarHBondContact O-N 2.86Å; Y221-F243 VanDerWaalsContact C-CE2 3.48Å; Y221-F243 WeakPolarHBondContact O-CE2 3.43Å; Y221-M246 HydrophobicContact CD1-CG 3.85Å; Y221-M246 HydrophobicContact CD1-SD 4.17Å; Y221-M246 HydrophobicContact CE1-CG 4.38Å; Y221-M246 WeakPolarHBondContact CE1-O 3.45Å; Y221-I247 HydrophobicContact CD1-CG1 4.31Å; Y221-I247 HydrophobicContact CD2-CB 4.45Å; Y221-I247 HydrophobicContact CD2-CG1 3.91Å; Y221-I247 HydrophobicContact CD2-CG2 4.47Å; Y221-I247 HydrophobicContact CG-CB 4.45Å; Y221-I247 HydrophobicContact CG-CG1 3.69Å; Y221-G250 WeakPolarHBondContact OH-CA 3.45Å; Y221-F265 AromaticContact CE2-CE1 3.81Å; Y221-F265 HydrophobicContact CE2-CE1 3.81Å; Y221-F265 HydrophobicContact CE2-CZ 4.43Å
222L96.1Very high95.4Very high7 Ų745 Ų454%0.03723%0.229CC..Hα-helixtrans-64.4-45175.3-176.862.1000111.1L185 V218 A219 K220 R224 W225 L226 P233 F243 L276L185-L222 HydrophobicContact CB-CD2 4.38Å; L185-L222 WeakPolarHBondContact O-CD2 3.08Å; V218-L222 WeakPolarHBondContact O-CB 3.4Å; V218-L222 PolarHBondContact O-N 3.22Å; A219-L222 PolarHBondContact O-N 3.45Å; K220-L222 VanDerWaalsContact C-N 3.31Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.35Å; L222-W225 WeakPolarHBondContact O-CB 3.28Å; L222-W225 PolarHBondContact O-N 3.05Å; L222-W225 VanDerWaalsContact O-N 3.16Å; L222-L226 HydrophobicContact CD1-CD1 4.48Å; L222-L226 HydrophobicContact CD1-CG 4.3Å; L222-L226 HydrophobicContact CG-CD1 4.06Å; L222-L226 HydrophobicContact CG-CG 4.34Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 WeakPolarHBondContact O-CG 3.17Å; L222-L226 PolarHBondContact O-N 2.94Å; L222-P233 HydrophobicContact CD1-CB 4.31Å; L222-F243 HydrophobicContact CB-CE2 4.32Å; L222-F243 HydrophobicContact CB-CZ 4.04Å; L222-L276 HydrophobicContact CD1-CD2 4.08Å; L222-L276 HydrophobicContact CD2-CD2 3.86Å; L222-L276 HydrophobicContact CG-CD2 4.49Å
223D94.4Very high95.1Very high78 Ų7847.3 Ų47.342%0.41725%0.245SC..Hα-helixtrans-58.5-44175-173.841.7000111.6A219 K220 L226 N227A219-D223 PolarHBondContact O-N 3.48Å; K220-D223 PolarHBondContact O-N 3.33Å; D223-L226 PolarHBondContact O-N 3.26Å; D223-N227 PolarHBondContact O-N 2.73Å; D223-N227 VanDerWaalsContact O-N 3.07Å; D223-N227 PolarHBondContact O-ND2 3.33Å
224R94.6Very high94.9Very high123 Ų12347.6 Ų47.646%0.46425%0.246SC..Hα-helixtrans-59.7-48.3172.6-178.7179173.1-175.3-3.7112.3K220 Y221 L222 L226 N227 E228 M246K220-R224 PolarHBondContact O-N 3.22Å; Y221-R224 PolarHBondContact O-N 3.29Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.35Å; R224-L226 VanDerWaalsContact C-N 3.32Å; R224-L226 PolarHBondContact O-N 3.13Å; R224-N227 PolarHBondContact O-N 2.89Å; R224-E228 IonicContact CZ-OE1 3.77Å; R224-E228 IonicContact NE-OE1 3.52Å; R224-E228 PolarHBondContact NE-OE1 3.46Å; R224-E228 IonicContact NH2-OE1 2.82Å; R224-E228 PolarHBondContact NH2-OE1 3.43Å; R224-E228 WeakPolarHBondContact O-CG 3.36Å; R224-E228 PolarHBondContact O-N 3.43Å; R224-E228 VanDerWaalsContact O-N 3.08Å; R224-M246 HydrophobicContact CG-SD 4.28Å
225W95.8Very high94.5Very high7 Ų753.8 Ų53.83%0.02727%0.273CS..Hα-helixtrans-58.2-46.1178.9177.3-77.3000111.5Y221 L222 N227 E228 H229 Q232 P234 E239 F243 M246Y221-W225 WeakPolarHBondContact O-CB 3.42Å; Y221-W225 PolarHBondContact O-N 2.86Å; L222-W225 WeakPolarHBondContact O-CB 3.28Å; L222-W225 PolarHBondContact O-N 3.05Å; L222-W225 VanDerWaalsContact O-N 3.16Å; W225-N227 VanDerWaalsContact C-N 3.3Å; W225-N227 PolarHBondContact O-N 2.67Å; W225-E228 CarbonylContact O-C 3.4Å; W225-E228 PolarHBondContact O-N 3.03Å; W225-E228 VanDerWaalsContact O-N 3.08Å; W225-H229 AromaticContact CD1-ND1 3.9Å; W225-H229 AromaticContact CD2-CE1 3.78Å; W225-H229 AromaticContact CD2-ND1 3.68Å; W225-H229 AromaticContact CE2-CE1 3.72Å; W225-H229 AromaticContact CE2-CG 3.82Å; W225-H229 AromaticContact CE2-ND1 3.59Å; W225-H229 AromaticContact CE3-CE1 3.89Å; W225-H229 AromaticContact CG-ND1 3.89Å; W225-H229 AromaticContact CH2-CE1 3.94Å; W225-H229 AromaticContact CH2-NE2 3.86Å; W225-H229 AromaticContact CZ2-CD2 3.92Å; W225-H229 AromaticContact CZ2-CE1 3.82Å; W225-H229 AromaticContact CZ2-NE2 3.7Å; W225-H229 AromaticContact CZ3-CE1 3.97Å; W225-H229 AromaticContact NE1-CG 3.68Å; W225-H229 AromaticContact NE1-ND1 3.71Å; W225-H229 WeakPolarHBondContact O-CB 3.43Å; W225-H229 PolarHBondContact O-N 3.41Å; W225-H229 PolarHBondContact O-ND1 3.49Å; W225-Q232 VanDerWaalsContact CD1-O 3.31Å; W225-Q232 PolarHBondContact NE1-O 2.9Å; W225-Q232 VanDerWaalsContact NE1-O 3.13Å; W225-P234 HydrophobicContact CD2-CG 3.91Å; W225-P234 HydrophobicContact CG-CG 4.11Å; W225-P234 HydrophobicContact CZ2-CB 4.35Å; W225-P234 HydrophobicContact CZ2-CG 4.13Å; W225-E239 HydrophobicContact CH2-CB 4.33Å; W225-E239 WeakPolarHBondContact CH2-O 3.48Å; W225-E239 HydrophobicContact CZ2-CB 4.08Å; W225-E239 HydrophobicContact CZ2-CG 4.29Å; W225-F243 HydrophobicContact CB-CD2 3.93Å; W225-F243 HydrophobicContact CB-CE2 3.94Å; W225-F243 AromaticContact CD2-CD2 3.95Å; W225-F243 HydrophobicContact CD2-CD2 3.95Å; W225-F243 HydrophobicContact CE3-CB 3.95Å; W225-F243 AromaticContact CE3-CD2 3.69Å; W225-F243 HydrophobicContact CE3-CD2 3.69Å; W225-F243 HydrophobicContact CE3-CG 4.33Å; W225-F243 HydrophobicContact CG-CD2 4.06Å; W225-F243 HydrophobicContact CG-CE2 4.46Å; W225-F243 HydrophobicContact CZ3-CB 3.96Å; W225-M246 HydrophobicContact CB-CE 4.46Å; W225-M246 HydrophobicContact CB-SD 4.4Å; W225-M246 HydrophobicContact CE3-CE 3.62Å; W225-M246 HydrophobicContact CE3-SD 4.35Å; W225-M246 HydrophobicContact CZ3-CE 4.28Å
226L94.1Very high94.2Very high47 Ų4757.4 Ų57.425%0.24629%0.292CS..Hα-helixtrans-60.2-41179.2-69.8170.5000111.2L222 D223 R224 E228 H229 D230 G231 Q232 P233L222-L226 HydrophobicContact CD1-CD1 4.48Å; L222-L226 HydrophobicContact CD1-CG 4.3Å; L222-L226 HydrophobicContact CG-CD1 4.06Å; L222-L226 HydrophobicContact CG-CG 4.34Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 WeakPolarHBondContact O-CG 3.17Å; L222-L226 PolarHBondContact O-N 2.94Å; D223-L226 PolarHBondContact O-N 3.26Å; R224-L226 VanDerWaalsContact C-N 3.32Å; R224-L226 PolarHBondContact O-N 3.13Å; L226-E228 VanDerWaalsContact C-N 3.3Å; L226-E228 PolarHBondContact O-N 3.12Å; L226-H229 CarbonylContact O-C 3.59Å; L226-H229 PolarHBondContact O-N 3.29Å; L226-D230 PolarHBondContact O-N 2.9Å; L226-G231 WeakPolarHBondContact CD2-O 3.46Å; L226-G231 WeakPolarHBondContact O-CA 3.36Å; L226-G231 PolarHBondContact O-N 2.81Å; L226-Q232 VanDerWaalsContact CD2-C 3.5Å; L226-P233 HydrophobicContact CD2-CB 4.25Å
227N94.3Very high94Very high124 Ų12465.5 Ų65.566%0.66332%0.324SS*.Hα-helixtrans-65.1-32.3174.8-71.6-46.5000113D223 R224 W225D223-N227 PolarHBondContact O-N 2.73Å; D223-N227 VanDerWaalsContact O-N 3.07Å; D223-N227 PolarHBondContact O-ND2 3.33Å; R224-N227 PolarHBondContact O-N 2.89Å; W225-N227 VanDerWaalsContact C-N 3.3Å; W225-N227 PolarHBondContact O-N 2.67Å
228E95.1Very high93.8Very high102 Ų10273.7 Ų73.748%0.47736%0.36SS..Hα-helixtrans-82.6-15.6177.7-68.6176.2-17000113.4R224 W225 L226 M246R224-E228 IonicContact CZ-OE1 3.77Å; R224-E228 IonicContact NE-OE1 3.52Å; R224-E228 PolarHBondContact NE-OE1 3.46Å; R224-E228 IonicContact NH2-OE1 2.82Å; R224-E228 PolarHBondContact NH2-OE1 3.43Å; R224-E228 WeakPolarHBondContact O-CG 3.36Å; R224-E228 PolarHBondContact O-N 3.43Å; R224-E228 VanDerWaalsContact O-N 3.08Å; W225-E228 CarbonylContact O-C 3.4Å; W225-E228 PolarHBondContact O-N 3.03Å; W225-E228 VanDerWaalsContact O-N 3.08Å; L226-E228 VanDerWaalsContact C-N 3.3Å; L226-E228 PolarHBondContact O-N 3.12Å; E228-M246 WeakPolarHBondContact OE2-CE 3.37Å
229H93.4Very high93.7Very high72 Ų7276.8 Ų76.833%0.33337%0.374SS..THydrogen-bonded Turntrans-131.539.6-170.8-61.879.6000113.6W225 L226 G231 Q232W225-H229 AromaticContact CD1-ND1 3.9Å; W225-H229 AromaticContact CD2-CE1 3.78Å; W225-H229 AromaticContact CD2-ND1 3.68Å; W225-H229 AromaticContact CE2-CE1 3.72Å; W225-H229 AromaticContact CE2-CG 3.82Å; W225-H229 AromaticContact CE2-ND1 3.59Å; W225-H229 AromaticContact CE3-CE1 3.89Å; W225-H229 AromaticContact CG-ND1 3.89Å; W225-H229 AromaticContact CH2-CE1 3.94Å; W225-H229 AromaticContact CH2-NE2 3.86Å; W225-H229 AromaticContact CZ2-CD2 3.92Å; W225-H229 AromaticContact CZ2-CE1 3.82Å; W225-H229 AromaticContact CZ2-NE2 3.7Å; W225-H229 AromaticContact CZ3-CE1 3.97Å; W225-H229 AromaticContact NE1-CG 3.68Å; W225-H229 AromaticContact NE1-ND1 3.71Å; W225-H229 WeakPolarHBondContact O-CB 3.43Å; W225-H229 PolarHBondContact O-N 3.41Å; W225-H229 PolarHBondContact O-ND1 3.49Å; L226-H229 CarbonylContact O-C 3.59Å; L226-H229 PolarHBondContact O-N 3.29Å; H229-G231 PolarHBondContact O-N 3.26Å; H229-G231 VanDerWaalsContact O-N 3.11Å; H229-Q232 WeakPolarHBondContact O-CB 3.47Å; H229-Q232 PolarHBondContact O-N 2.91Å
230D90.7Very high93.6Very high159 Ų15977.9 Ų77.985%0.8538%0.378SS*.THydrogen-bonded Turntrans52.237.5174.3-60.2-45.3000114.1L226 Q232L226-D230 PolarHBondContact O-N 2.9Å; D230-Q232 VanDerWaalsContact C-N 3.29Å; D230-Q232 PolarHBondContact O-N 3.35Å
231G89.1Confident93.6Very high45 Ų4578.9 Ų78.946%0.46438%0.383SS..THydrogen-bonded Turntrans72.615-179.900000114.9L226 H229L226-G231 WeakPolarHBondContact CD2-O 3.46Å; L226-G231 WeakPolarHBondContact O-CA 3.36Å; L226-G231 PolarHBondContact O-N 2.81Å; H229-G231 PolarHBondContact O-N 3.26Å; H229-G231 VanDerWaalsContact O-N 3.11Å
232Q89.6Confident93.6Very high99 Ų9980.8 Ų80.846%0.46340%0.4SS..PPolyproline II helixtrans-95.6123.6177.9-63-62-50.100112W225 L226 H229 D230W225-Q232 VanDerWaalsContact CD1-O 3.31Å; W225-Q232 PolarHBondContact NE1-O 2.9Å; W225-Q232 VanDerWaalsContact NE1-O 3.13Å; L226-Q232 VanDerWaalsContact CD2-C 3.5Å; H229-Q232 WeakPolarHBondContact O-CB 3.47Å; H229-Q232 PolarHBondContact O-N 2.91Å; D230-Q232 VanDerWaalsContact C-N 3.29Å; D230-Q232 PolarHBondContact O-N 3.35Å
233P91.6Very high93.7Very high50 Ų5080.4 Ų80.433%0.32540%0.398SS..PPolyproline II helixtrans-72.9161.217730.8-35.4000111.4L222 L226 K235L222-P233 HydrophobicContact CD1-CB 4.31Å; L226-P233 HydrophobicContact CD2-CB 4.25Å; P233-K235 WeakPolarHBondContact O-CG 3.38Å; P233-K235 PolarHBondContact O-N 2.78Å
234P93Very high93.8Very high5 Ų577.5 Ų77.53%0.03238%0.381CS..PPolyproline II helixtrans-61119.7174-18.228.4000112.2W225 E239 K240 F243 L276W225-P234 HydrophobicContact CD2-CG 3.91Å; W225-P234 HydrophobicContact CG-CG 4.11Å; W225-P234 HydrophobicContact CZ2-CB 4.35Å; W225-P234 HydrophobicContact CZ2-CG 4.13Å; P234-E239 HydrophobicContact CB-CB 4.03Å; P234-K240 HydrophobicContact CB-CG 4Å; P234-F243 HydrophobicContact CB-CB 4.27Å; P234-F243 HydrophobicContact CG-CB 3.76Å; P234-F243 HydrophobicContact CG-CD1 4.32Å; P234-F243 HydrophobicContact CG-CD2 3.93Å; P234-F243 HydrophobicContact CG-CG 3.74Å; P234-L276 HydrophobicContact CB-CD1 4.22Å; P234-L276 HydrophobicContact CG-CD1 3.94Å
235K89.7Confident94Very high133 Ų13375.3 Ų75.358%0.57838%0.376SS*.  trans-104.4-55-176.1-62.3-179.5-172.5172.60112.4P233 E239P233-K235 WeakPolarHBondContact O-CG 3.38Å; P233-K235 PolarHBondContact O-N 2.78Å; K235-E239 PolarHBondContact N-OE2 3.23Å
236N92Very high94Very high76 Ų7675.7 Ų75.741%0.40638%0.379SS..SBendtrans-91.6168.5-173.962.957.2000112.4K238 E239 K240N236-K238 VanDerWaalsContact C-N 3.25Å; N236-K238 PolarHBondContact O-N 2.7Å; N236-K238 WeakPolarHBondContact OD1-CB 3.48Å; N236-K238 PolarHBondContact OD1-N 3.24Å; N236-K238 VanDerWaalsContact OD1-N 3.16Å; N236-E239 PolarHBondContact N-OE2 2.99Å; N236-E239 PolarHBondContact ND2-OE1 3.43Å; N236-E239 PolarHBondContact O-N 3.05Å; N236-E239 WeakPolarHBondContact OD1-CG 3.36Å; N236-E239 PolarHBondContact OD1-N 2.87Å; N236-K240 WeakPolarHBondContact O-CG 3.44Å; N236-K240 PolarHBondContact O-N 3.47Å
237Y92.7Very high94.2Very high171 Ų17173.5 Ų73.567%0.67137%0.367SS*.Hα-helixtrans-54.8-41.2-178.7179.6-91.1000112.8K240 E241Y237-K240 PolarHBondContact O-N 2.95Å; Y237-E241 WeakPolarHBondContact O-CB 3.4Å; Y237-E241 PolarHBondContact O-N 3.01Å
238K95.6Very high94.3Very high171 Ų17172.1 Ų72.174%0.74335%0.353SS*.Hα-helixtrans-66.6-44.5-178.4-175.2-176177.1-173.60111.5N236 E241 S242N236-K238 VanDerWaalsContact C-N 3.25Å; N236-K238 PolarHBondContact O-N 2.7Å; N236-K238 WeakPolarHBondContact OD1-CB 3.48Å; N236-K238 PolarHBondContact OD1-N 3.24Å; N236-K238 VanDerWaalsContact OD1-N 3.16Å; K238-E241 PolarHBondContact O-N 2.99Å; K238-S242 PolarHBondContact O-N 3.39Å
239E95.4Very high94.3Very high66 Ų6673.3 Ų73.331%0.30836%0.358SS..Hα-helixtrans-64.2-45.5175.4-73.2162.7-161.900111.3W225 P234 K235 N236 E241 S242 F243W225-E239 HydrophobicContact CH2-CB 4.33Å; W225-E239 WeakPolarHBondContact CH2-O 3.48Å; W225-E239 HydrophobicContact CZ2-CB 4.08Å; W225-E239 HydrophobicContact CZ2-CG 4.29Å; P234-E239 HydrophobicContact CB-CB 4.03Å; K235-E239 PolarHBondContact N-OE2 3.23Å; N236-E239 PolarHBondContact N-OE2 2.99Å; N236-E239 PolarHBondContact ND2-OE1 3.43Å; N236-E239 PolarHBondContact O-N 3.05Å; N236-E239 WeakPolarHBondContact OD1-CG 3.36Å; N236-E239 PolarHBondContact OD1-N 2.87Å; E239-E241 VanDerWaalsContact C-N 3.25Å; E239-E241 PolarHBondContact O-N 3.47Å; E239-S242 WeakPolarHBondContact O-CB 3.37Å; E239-S242 PolarHBondContact O-N 2.93Å; E239-F243 WeakPolarHBondContact O-CB 3.47Å; E239-F243 PolarHBondContact O-N 3.43Å
240K95Very high94.3Very high30 Ų3070.5 Ų70.513%0.1335%0.349CS..Hα-helixtrans-60.6-36.1176-71.2-174.5-179.9-169.20111.9P234 N236 Y237 F243 R244 V272P234-K240 HydrophobicContact CB-CG 4Å; N236-K240 WeakPolarHBondContact O-CG 3.44Å; N236-K240 PolarHBondContact O-N 3.47Å; Y237-K240 PolarHBondContact O-N 2.95Å; K240-F243 PolarHBondContact O-N 3.25Å; K240-R244 WeakPolarHBondContact O-CG 3.38Å; K240-R244 PolarHBondContact O-N 3.08Å; K240-V272 HydrophobicContact CB-CG1 4.32Å
241E96.6Very high94.6Very high65 Ų6563.7 Ų63.730%0.30431%0.312SS..Hα-helixtrans-70.2-40.7175.2-169.155.6-148.800112.5Y237 K238 E239 F243 R244 Q245Y237-E241 WeakPolarHBondContact O-CB 3.4Å; Y237-E241 PolarHBondContact O-N 3.01Å; K238-E241 PolarHBondContact O-N 2.99Å; E239-E241 VanDerWaalsContact C-N 3.25Å; E239-E241 PolarHBondContact O-N 3.47Å; E241-F243 VanDerWaalsContact C-N 3.26Å; E241-F243 PolarHBondContact O-N 3.32Å; E241-R244 WeakPolarHBondContact O-CB 3.5Å; E241-R244 PolarHBondContact O-N 3.49Å; E241-R244 WeakPolarHBondContact OE2-CD 3.43Å; E241-R244 IonicContact OE2-CZ 2.69Å; E241-R244 IonicContact OE2-NE 3.56Å; E241-R244 IonicContact OE2-NH1 3.52Å; E241-R244 PolarHBondContact OE2-NH1 3.06Å; E241-Q245 PolarHBondContact O-N 3.09Å
242S96.8Very high94.8Very high66 Ų6664.4 Ų64.446%0.46231%0.305SS..Hα-helixtrans-62-37.1172.6-166.20000111.6K238 E239 Q245 M246K238-S242 PolarHBondContact O-N 3.39Å; E239-S242 WeakPolarHBondContact O-CB 3.37Å; E239-S242 PolarHBondContact O-N 2.93Å; S242-Q245 PolarHBondContact O-N 3.49Å; S242-M246 PolarHBondContact O-N 3.44Å
243F97.5Very high94.9Very high0 Ų066.3 Ų66.30%031%0.312CS..Hα-helixtrans-67.1-42.4175.2-176.7-108.7000112.2V218 Y221 L222 W225 P234 E239 K240 E241 Q245 M246 I247 V272 L276V218-F243 HydrophobicContact CG1-CE1 4.19Å; V218-F243 HydrophobicContact CG1-CZ 4.33Å; Y221-F243 VanDerWaalsContact C-CE2 3.48Å; Y221-F243 WeakPolarHBondContact O-CE2 3.43Å; L222-F243 HydrophobicContact CB-CE2 4.32Å; L222-F243 HydrophobicContact CB-CZ 4.04Å; W225-F243 HydrophobicContact CB-CD2 3.93Å; W225-F243 HydrophobicContact CB-CE2 3.94Å; W225-F243 AromaticContact CD2-CD2 3.95Å; W225-F243 HydrophobicContact CD2-CD2 3.95Å; W225-F243 HydrophobicContact CE3-CB 3.95Å; W225-F243 AromaticContact CE3-CD2 3.69Å; W225-F243 HydrophobicContact CE3-CD2 3.69Å; W225-F243 HydrophobicContact CE3-CG 4.33Å; W225-F243 HydrophobicContact CG-CD2 4.06Å; W225-F243 HydrophobicContact CG-CE2 4.46Å; W225-F243 HydrophobicContact CZ3-CB 3.96Å; P234-F243 HydrophobicContact CB-CB 4.27Å; P234-F243 HydrophobicContact CG-CB 3.76Å; P234-F243 HydrophobicContact CG-CD1 4.32Å; P234-F243 HydrophobicContact CG-CD2 3.93Å; P234-F243 HydrophobicContact CG-CG 3.74Å; E239-F243 WeakPolarHBondContact O-CB 3.47Å; E239-F243 PolarHBondContact O-N 3.43Å; K240-F243 PolarHBondContact O-N 3.25Å; E241-F243 VanDerWaalsContact C-N 3.26Å; E241-F243 PolarHBondContact O-N 3.32Å; F243-Q245 VanDerWaalsContact C-N 3.27Å; F243-Q245 PolarHBondContact O-N 3.2Å; F243-M246 WeakPolarHBondContact O-CB 3.41Å; F243-M246 PolarHBondContact O-N 2.85Å; F243-I247 HydrophobicContact CD1-CD1 3.92Å; F243-I247 HydrophobicContact CE1-CD1 3.5Å; F243-I247 VanDerWaalsContact CE1-CD1 3.5Å; F243-I247 HydrophobicContact CE1-CG1 4.37Å; F243-I247 HydrophobicContact CZ-CD1 3.94Å; F243-I247 HydrophobicContact CZ-CG1 4.42Å; F243-I247 PolarHBondContact O-N 3.46Å; F243-V272 HydrophobicContact CD1-CB 4.47Å; F243-V272 HydrophobicContact CD1-CG1 3.72Å; F243-V272 HydrophobicContact CD1-CG2 3.85Å; F243-V272 HydrophobicContact CE1-CG1 4.29Å; F243-V272 HydrophobicContact CE1-CG2 3.96Å; F243-L276 HydrophobicContact CD1-CD1 3.91Å; F243-L276 HydrophobicContact CE1-CD1 3.88Å
244R97.9Very high94.8Very high17 Ų1766.5 Ų66.56%0.06431%0.31CS..Hα-helixtrans-58-41.8170.9-74.1-179.9-162.997.416.4111.9K240 E241 M246 I247 R248 I269 V272 N273K240-R244 WeakPolarHBondContact O-CG 3.38Å; K240-R244 PolarHBondContact O-N 3.08Å; E241-R244 WeakPolarHBondContact O-CB 3.5Å; E241-R244 PolarHBondContact O-N 3.49Å; E241-R244 WeakPolarHBondContact OE2-CD 3.43Å; E241-R244 IonicContact OE2-CZ 2.69Å; E241-R244 IonicContact OE2-NE 3.56Å; E241-R244 IonicContact OE2-NH1 3.52Å; E241-R244 PolarHBondContact OE2-NH1 3.06Å; R244-M246 VanDerWaalsContact C-N 3.33Å; R244-I247 PolarHBondContact O-N 3.23Å; R244-R248 WeakPolarHBondContact O-CB 3.35Å; R244-R248 PolarHBondContact O-N 3.35Å; R244-I269 HydrophobicContact CB-CG2 4.07Å; R244-I269 HydrophobicContact CG-CG2 3.91Å; R244-V272 HydrophobicContact CG-CB 4.14Å; R244-V272 HydrophobicContact CG-CG1 4.27Å; R244-V272 HydrophobicContact CG-CG2 3.91Å; R244-N273 PolarHBondContact NH2-ND2 3.02Å; R244-N273 PolarHBondContact NH2-OD1 2.97Å
245Q97.3Very high94.5Very high76 Ų7675 Ų7536%0.35535%0.354SS..Hα-helixtrans-64.7-39.9177.8-176.754.930.600111.5E241 S242 F243 I247 R248 E249E241-Q245 PolarHBondContact O-N 3.09Å; S242-Q245 PolarHBondContact O-N 3.49Å; F243-Q245 VanDerWaalsContact C-N 3.27Å; F243-Q245 PolarHBondContact O-N 3.2Å; Q245-I247 PolarHBondContact O-N 3.2Å; Q245-R248 WeakPolarHBondContact O-CB 3.43Å; Q245-R248 PolarHBondContact O-N 3.48Å; Q245-E249 WeakPolarHBondContact CG-OE1 2.96Å; Q245-E249 PolarHBondContact NE2-OE1 3.01Å; Q245-E249 WeakPolarHBondContact O-CG 3.34Å; Q245-E249 PolarHBondContact O-N 3.32Å
246M96.9Very high94.4Very high16 Ų1675.4 Ų75.48%0.07936%0.363CS..Hα-helixtrans-59.9-43.7173.5-172-170-77.300112.1Y221 R224 W225 E228 S242 F243 R244 E249Y221-M246 HydrophobicContact CD1-CG 3.85Å; Y221-M246 HydrophobicContact CD1-SD 4.17Å; Y221-M246 HydrophobicContact CE1-CG 4.38Å; Y221-M246 WeakPolarHBondContact CE1-O 3.45Å; R224-M246 HydrophobicContact CG-SD 4.28Å; W225-M246 HydrophobicContact CB-CE 4.46Å; W225-M246 HydrophobicContact CB-SD 4.4Å; W225-M246 HydrophobicContact CE3-CE 3.62Å; W225-M246 HydrophobicContact CE3-SD 4.35Å; W225-M246 HydrophobicContact CZ3-CE 4.28Å; E228-M246 WeakPolarHBondContact OE2-CE 3.37Å; S242-M246 PolarHBondContact O-N 3.44Å; F243-M246 WeakPolarHBondContact O-CB 3.41Å; F243-M246 PolarHBondContact O-N 2.85Å; R244-M246 VanDerWaalsContact C-N 3.33Å; M246-E249 PolarHBondContact O-N 3.14Å
247I97.3Very high94.1Very high0 Ų073.9 Ų73.90%037%0.365CS..Hα-helixtrans-63.4-43.5174.6-65.5167.8000110.7I217 V218 Y221 F243 R244 Q245 E249 G250 F265 A268 I269 V272I217-I247 HydrophobicContact CG2-CG2 3.9Å; V218-I247 HydrophobicContact CG2-CD1 4.34Å; Y221-I247 HydrophobicContact CD1-CG1 4.31Å; Y221-I247 HydrophobicContact CD2-CB 4.45Å; Y221-I247 HydrophobicContact CD2-CG1 3.91Å; Y221-I247 HydrophobicContact CD2-CG2 4.47Å; Y221-I247 HydrophobicContact CG-CB 4.45Å; Y221-I247 HydrophobicContact CG-CG1 3.69Å; F243-I247 HydrophobicContact CD1-CD1 3.92Å; F243-I247 HydrophobicContact CE1-CD1 3.5Å; F243-I247 VanDerWaalsContact CE1-CD1 3.5Å; F243-I247 HydrophobicContact CE1-CG1 4.37Å; F243-I247 HydrophobicContact CZ-CD1 3.94Å; F243-I247 HydrophobicContact CZ-CG1 4.42Å; F243-I247 PolarHBondContact O-N 3.46Å; R244-I247 PolarHBondContact O-N 3.23Å; Q245-I247 PolarHBondContact O-N 3.2Å; I247-E249 VanDerWaalsContact C-N 3.28Å; I247-E249 PolarHBondContact O-N 2.9Å; I247-G250 WeakPolarHBondContact O-CA 3.37Å; I247-G250 PolarHBondContact O-N 2.95Å; I247-F265 HydrophobicContact CG2-CD1 3.81Å; I247-F265 HydrophobicContact CG2-CE1 4.38Å; I247-A268 HydrophobicContact CG2-CB 4.24Å; I247-I269 HydrophobicContact CB-CG1 4.12Å; I247-I269 HydrophobicContact CG2-CD1 4.35Å; I247-I269 HydrophobicContact CG2-CG1 3.77Å; I247-V272 HydrophobicContact CD1-CG2 3.78Å
248R96.6Very high93.9Very high95 Ų9569.4 Ų69.436%0.35836%0.355SS..Hα-helixtrans-62.1-34.8-179.6-172178.4-69.6116.6-0.6112.8R244 Q245 G250 I251 I269R244-R248 WeakPolarHBondContact O-CB 3.35Å; R244-R248 PolarHBondContact O-N 3.35Å; Q245-R248 WeakPolarHBondContact O-CB 3.43Å; Q245-R248 PolarHBondContact O-N 3.48Å; R248-G250 PolarHBondContact O-N 3.3Å; R248-I251 HydrophobicContact CG-CD1 4.21Å; R248-I251 WeakPolarHBondContact O-CG1 3.35Å; R248-I251 PolarHBondContact O-N 3.25Å; R248-I269 HydrophobicContact CB-CD1 3.88Å; R248-I269 HydrophobicContact CG-CD1 4.35Å
249E95.2Very high93.6Very high127 Ų12765 Ų6559%0.59334%0.344SS*.THydrogen-bonded Turntrans-68.7-16.2174.6-74168.1-165.900113.2Q245 M246 I247 I251Q245-E249 WeakPolarHBondContact CG-OE1 2.96Å; Q245-E249 PolarHBondContact NE2-OE1 3.01Å; Q245-E249 WeakPolarHBondContact O-CG 3.34Å; Q245-E249 PolarHBondContact O-N 3.32Å; M246-E249 PolarHBondContact O-N 3.14Å; I247-E249 VanDerWaalsContact C-N 3.28Å; I247-E249 PolarHBondContact O-N 2.9Å; E249-I251 VanDerWaalsContact C-N 3.34Å
250G94.4Very high93.5Very high13 Ų1364.4 Ų64.413%0.13434%0.341CS..THydrogen-bonded Turntrans-73.9-16.6173.200000116.1H209 Y221 I247 R248 L252H209-G250 PolarHBondContact CE1-O 3.32Å; Y221-G250 WeakPolarHBondContact OH-CA 3.45Å; I247-G250 WeakPolarHBondContact O-CA 3.37Å; I247-G250 PolarHBondContact O-N 2.95Å; R248-G250 PolarHBondContact O-N 3.3Å; G250-L252 PolarHBondContact O-N 2.96Å
251I95.6Very high93.4Very high17 Ų1769.3 Ų69.39%0.08737%0.369CS..SBendtrans-66.8130.3-178.1-62172000109.2R248 E249 P259 E260 E262 F265R248-I251 HydrophobicContact CG-CD1 4.21Å; R248-I251 WeakPolarHBondContact O-CG1 3.35Å; R248-I251 PolarHBondContact O-N 3.25Å; E249-I251 VanDerWaalsContact C-N 3.34Å; I251-P259 HydrophobicContact CG2-CB 4.06Å; I251-E260 WeakPolarHBondContact CG2-O 3.48Å; I251-E262 HydrophobicContact CG2-CB 4.35Å; I251-E262 HydrophobicContact CG2-CG 4.28Å; I251-F265 HydrophobicContact CD1-CB 4.08Å; I251-F265 HydrophobicContact CG1-CB 3.74Å; I251-F265 HydrophobicContact CG1-CD1 3.87Å; I251-F265 HydrophobicContact CG1-CG 3.87Å
252L93.5Very high93.3Very high59 Ų5966.4 Ų66.431%0.30936%0.356SS..  trans-60147.2179.8-68.5176.6000110.9K206 H209 G250 E260 E262K206-L252 HydrophobicContact CB-CD1 4.19Å; K206-L252 HydrophobicContact CG-CD1 4.17Å; H209-L252 HydrophobicContact CB-CD1 3.91Å; G250-L252 PolarHBondContact O-N 2.96Å; L252-E260 HydrophobicContact CB-CG 4.43Å; L252-E260 WeakPolarHBondContact O-CB 3.4Å; L252-E260 WeakPolarHBondContact O-CG 3.36Å; L252-E260 PolarHBondContact O-N 2.94Å; L252-E262 PolarHBondContact N-OE2 3.16Å
253K92.3Very high93.3Very high140 Ų14069.1 Ų69.161%0.60936%0.361SS*.BIsolated β-bridgetrans-108.3141.3177.4-65176.3-177.31770110.4V258K253-V258 CarbonylContact C-O 3.33Å; K253-V258 WeakPolarHBondContact CA-O 3.48Å
254N89.6Confident93.2Very high53 Ų5369.1 Ų69.128%0.28336%0.361SS..  trans-72.8177.7173.668.621.4000111.8N256 G257 V258 E260N254-N256 PolarHBondContact O-N 2.61Å; N254-N256 WeakPolarHBondContact OD1-CA 3.43Å; N254-N256 WeakPolarHBondContact OD1-CB 3.46Å; N254-N256 PolarHBondContact OD1-N 3.34Å; N254-G257 PolarHBondContact O-N 3.12Å; N254-G257 PolarHBondContact OD1-N 2.65Å; N254-V258 VanDerWaalsContact CG-O 3.31Å; N254-V258 PolarHBondContact N-O 3.2Å; N254-V258 PolarHBondContact OD1-N 3.24Å; N254-V258 PolarHBondContact OD1-O 3.27Å; N254-E260 HydrophobicContact CB-CG 4.43Å; N254-E260 VanDerWaalsContact CB-OE1 3.25Å; N254-E260 WeakPolarHBondContact CB-OE1 3.11Å
255L85.8Confident93.2Very high184 Ų18468.3 Ų68.396%0.96336%0.358SS*.THydrogen-bonded Turntrans-57.2-21.5179.3-66171.4000114
256N87.8Confident93.2Very high141 Ų14167.7 Ų67.775%0.75436%0.357SS*.THydrogen-bonded Turntrans-93.34.5179.2-58.8-19.3000112.5N254 V258N254-N256 PolarHBondContact O-N 2.61Å; N254-N256 WeakPolarHBondContact OD1-CA 3.43Å; N254-N256 WeakPolarHBondContact OD1-CB 3.46Å; N254-N256 PolarHBondContact OD1-N 3.34Å; N256-V258 VanDerWaalsContact C-N 3.26Å; N256-V258 HydrophobicContact CB-CG2 4.38Å; N256-V258 PolarHBondContact O-N 2.7Å
257G85.7Confident93.3Very high44 Ų4468.7 Ų68.745%0.45436%0.361SS..SBendtrans75.99.4-178.600000114.6N254N254-G257 PolarHBondContact O-N 3.12Å; N254-G257 PolarHBondContact OD1-N 2.65Å
258V89.1Confident93.3Very high78 Ų7868.7 Ų68.747%0.47336%0.361SS..PPolyproline II helixtrans-87134.3177.3-176.70000108.7K253 N254 N256 E260K253-V258 CarbonylContact C-O 3.33Å; K253-V258 WeakPolarHBondContact CA-O 3.48Å; N254-V258 VanDerWaalsContact CG-O 3.31Å; N254-V258 PolarHBondContact N-O 3.2Å; N254-V258 PolarHBondContact OD1-N 3.24Å; N254-V258 PolarHBondContact OD1-O 3.27Å; N256-V258 VanDerWaalsContact C-N 3.26Å; N256-V258 HydrophobicContact CB-CG2 4.38Å; N256-V258 PolarHBondContact O-N 2.7Å; V258-E260 PolarHBondContact O-N 2.93Å
259P90.3Very high93.3Very high78 Ų7864.8 Ų64.851%0.50635%0.347SS..BIsolated β-bridgetrans-53.7135.9172.9-24.534.3000111.3I251I251-P259 HydrophobicContact CG2-CB 4.06Å
260E92.1Very high93.4Very high54 Ų5466.1 Ų66.125%0.25235%0.351SS..PPolyproline II helixtrans-69.7160.2170.6-68-79.2-17400110.3K206 I251 L252 N254 V258 E262K206-E260 WeakPolarHBondContact CE-OE2 3.38Å; K206-E260 IonicContact NZ-OE1 2.86Å; K206-E260 PolarHBondContact NZ-OE1 3.39Å; K206-E260 IonicContact NZ-OE2 3.45Å; K206-E260 PolarHBondContact NZ-OE2 2.97Å; I251-E260 WeakPolarHBondContact CG2-O 3.48Å; L252-E260 HydrophobicContact CB-CG 4.43Å; L252-E260 WeakPolarHBondContact O-CB 3.4Å; L252-E260 WeakPolarHBondContact O-CG 3.36Å; L252-E260 PolarHBondContact O-N 2.94Å; N254-E260 HydrophobicContact CB-CG 4.43Å; N254-E260 VanDerWaalsContact CB-OE1 3.25Å; N254-E260 WeakPolarHBondContact CB-OE1 3.11Å; V258-E260 PolarHBondContact O-N 2.93Å; E260-E262 HydrophobicContact CB-CG 4.35Å; E260-E262 PolarHBondContact O-N 3.44Å
261D92.1Very high93.5Very high133 Ų13367.6 Ų67.671%0.71136%0.356SS*.  trans-87.2100.8176.4-1649.3000109
262E95.5Very high93.4Very high4 Ų466.8 Ų66.82%0.01935%0.352CS..  trans-119.789.9-176.6-68.4-166.3137.200110.5H209 I251 L252 E260 N264 F265 D266H209-E262 IonicContact CE1-OE1 2.85Å; H209-E262 IonicContact CE1-OE2 3.39Å; H209-E262 PolarHBondContact CE1-OE2 3.25Å; H209-E262 IonicContact CG-OE1 2.63Å; H209-E262 VanDerWaalsContact ND1-CD 3.25Å; H209-E262 IonicContact ND1-OE1 2.73Å; H209-E262 PolarHBondContact ND1-OE1 2.92Å; H209-E262 IonicContact ND1-OE2 3.48Å; H209-E262 PolarHBondContact ND1-OE2 2.79Å; I251-E262 HydrophobicContact CG2-CB 4.35Å; I251-E262 HydrophobicContact CG2-CG 4.28Å; L252-E262 PolarHBondContact N-OE2 3.16Å; E260-E262 HydrophobicContact CB-CG 4.35Å; E260-E262 PolarHBondContact O-N 3.44Å; E262-N264 PolarHBondContact O-N 2.96Å; E262-N264 VanDerWaalsContact O-N 3.15Å; E262-F265 HydrophobicContact CB-CB 4.28Å; E262-F265 HydrophobicContact CB-CD2 4.08Å; E262-F265 WeakPolarHBondContact O-CB 3.46Å; E262-F265 PolarHBondContact O-N 3.04Å; E262-D266 PolarHBondContact O-N 3.43Å
263E96.2Very high93.2Very high122 Ų12267.7 Ų67.757%0.5736%0.357SS*.Hα-helixtrans-58-31.3-174.7-62-176.3-151.300113.2D266 E267 I333E263-D266 PolarHBondContact O-N 2.9Å; E263-E267 WeakPolarHBondContact O-CB 3.1Å; E263-E267 PolarHBondContact O-N 3.25Å; E263-I333 HydrophobicContact CB-CD1 3.44Å; E263-I333 VanDerWaalsContact CB-CD1 3.44Å; E263-I333 HydrophobicContact CB-CG2 4.5Å; E263-I333 HydrophobicContact CG-CD1 4.42Å; E263-I333 VanDerWaalsContact OE2-CD1 3.29Å; E263-I333 WeakPolarHBondContact OE2-CD1 3.19Å
264N97Very high93.2Very high0 Ų064.3 Ų64.30%035%0.348CS..Hα-helixtrans-67.5-32.7176.864.8-33.1000113.1H209 S210 T212 W214 I217 E262 A268 I333H209-N264 PolarHBondContact O-ND2 3.35Å; S210-N264 VanDerWaalsContact C-ND2 3.33Å; S210-N264 PolarHBondContact O-ND2 2.91Å; S210-N264 PolarHBondContact O-OD1 3.42Å; T212-N264 PolarHBondContact N-ND2 3.46Å; T212-N264 PolarHBondContact O-ND2 3.3Å; W214-N264 WeakPolarHBondContact CB-O 3.33Å; I217-N264 HydrophobicContact CD1-CB 4.22Å; I217-N264 WeakPolarHBondContact CD1-ND2 3.41Å; E262-N264 PolarHBondContact O-N 2.96Å; E262-N264 VanDerWaalsContact O-N 3.15Å; N264-A268 PolarHBondContact O-N 3.08Å; N264-I333 HydrophobicContact CB-CB 4.39Å; N264-I333 HydrophobicContact CB-CG2 4.36Å
265F97.9Very high93.3Very high0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-73.5-38.9172.3-85.8-101.6000111.5H209 I217 Y221 I247 I251 E262 E267 A268 I269H209-F265 AromaticContact CE1-CE2 3.08Å; H209-F265 WeakPolarHBondContact CE1-CE2 3.34Å; H209-F265 AromaticContact CE1-CZ 3.17Å; H209-F265 WeakPolarHBondContact CE1-CZ 3.24Å; H209-F265 AromaticContact ND1-CE2 3.58Å; H209-F265 AromaticContact NE2-CE2 3.6Å; H209-F265 AromaticContact NE2-CZ 3.32Å; H209-F265 VanDerWaalsContact NE2-CZ 3.32Å; H209-F265 WeakPolarHBondContact NE2-CZ 3.48Å; I217-F265 HydrophobicContact CD1-CD1 4.48Å; I217-F265 HydrophobicContact CD1-CD2 3.58Å; I217-F265 HydrophobicContact CD1-CE1 4.46Å; I217-F265 HydrophobicContact CD1-CE2 3.52Å; I217-F265 HydrophobicContact CD1-CG 4.06Å; I217-F265 HydrophobicContact CD1-CZ 3.99Å; I217-F265 HydrophobicContact CG1-CE2 4.14Å; I217-F265 HydrophobicContact CG1-CZ 4.16Å; I217-F265 HydrophobicContact CG2-CD1 3.98Å; I217-F265 HydrophobicContact CG2-CE1 3.77Å; I217-F265 HydrophobicContact CG2-CZ 4.13Å; Y221-F265 AromaticContact CE2-CE1 3.81Å; Y221-F265 HydrophobicContact CE2-CE1 3.81Å; Y221-F265 HydrophobicContact CE2-CZ 4.43Å; I247-F265 HydrophobicContact CG2-CD1 3.81Å; I247-F265 HydrophobicContact CG2-CE1 4.38Å; I251-F265 HydrophobicContact CD1-CB 4.08Å; I251-F265 HydrophobicContact CG1-CB 3.74Å; I251-F265 HydrophobicContact CG1-CD1 3.87Å; I251-F265 HydrophobicContact CG1-CG 3.87Å; E262-F265 HydrophobicContact CB-CB 4.28Å; E262-F265 HydrophobicContact CB-CD2 4.08Å; E262-F265 WeakPolarHBondContact O-CB 3.46Å; E262-F265 PolarHBondContact O-N 3.04Å; F265-E267 VanDerWaalsContact C-N 3.3Å; F265-E267 PolarHBondContact O-N 3.18Å; F265-A268 WeakPolarHBondContact O-CB 3.47Å; F265-A268 PolarHBondContact O-N 2.86Å; F265-I269 VanDerWaalsContact O-CG1 3.28Å; F265-I269 WeakPolarHBondContact O-CG1 3.37Å; F265-I269 PolarHBondContact O-N 3.04Å
266D96.9Very high93.5Very high63 Ų6354 Ų5434%0.33730%0.295SS..Hα-helixtrans-62.3-39.9172.5-83.2-15.1000111.8E262 E263 I269 K270E262-D266 PolarHBondContact O-N 3.43Å; E263-D266 PolarHBondContact O-N 2.9Å; D266-I269 PolarHBondContact O-N 2.85Å; D266-K270 VanDerWaalsContact O-CG 3.27Å; D266-K270 WeakPolarHBondContact O-CG 3.29Å; D266-K270 PolarHBondContact O-N 3.23Å
267E97.3Very high93.5Very high37 Ų3750 Ų5017%0.17327%0.273CS..Hα-helixtrans-62.9-43.3173.1-167177.2-175.300111.4W214 E263 F265 I269 K270 N271 I333W214-E267 HydrophobicContact CB-CB 4.28Å; W214-E267 HydrophobicContact CB-CG 4.35Å; W214-E267 HydrophobicContact CG-CB 4.48Å; W214-E267 HydrophobicContact CG-CG 4.02Å; W214-E267 PolarHBondContact NE1-OE1 3.25Å; E263-E267 WeakPolarHBondContact O-CB 3.1Å; E263-E267 PolarHBondContact O-N 3.25Å; F265-E267 VanDerWaalsContact C-N 3.3Å; F265-E267 PolarHBondContact O-N 3.18Å; E267-I269 PolarHBondContact O-N 3.22Å; E267-K270 PolarHBondContact O-N 2.85Å; E267-N271 WeakPolarHBondContact CG-ND2 3.25Å; E267-N271 WeakPolarHBondContact O-CB 3.36Å; E267-N271 PolarHBondContact O-N 3.2Å; E267-N271 PolarHBondContact O-ND2 2.88Å; E267-I333 PolarHBondContact OE2-N 3.48Å
268A97.6Very high93.7Very high0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-57.8-48.2174.600000111.8W214 I217 V218 I247 N264 F265 K270 N271 V272W214-A268 HydrophobicContact CB-CB 3.91Å; I217-A268 HydrophobicContact CB-CB 4.1Å; I217-A268 HydrophobicContact CG2-CB 3.77Å; V218-A268 HydrophobicContact CG2-CB 3.87Å; I247-A268 HydrophobicContact CG2-CB 4.24Å; N264-A268 PolarHBondContact O-N 3.08Å; F265-A268 WeakPolarHBondContact O-CB 3.47Å; F265-A268 PolarHBondContact O-N 2.86Å; A268-K270 PolarHBondContact O-N 3.33Å; A268-N271 PolarHBondContact O-N 3.14Å; A268-V272 WeakPolarHBondContact O-CG2 3.41Å; A268-V272 PolarHBondContact O-N 3.33Å; A268-V272 VanDerWaalsContact O-N 3.14Å
269I97.4Very high94Very high13 Ų1349.7 Ų49.77%0.06727%0.265CS..Hα-helixtrans-60.9-43.9-179.9-70.5165.7000111.4R244 I247 R248 F265 D266 E267 N271R244-I269 HydrophobicContact CB-CG2 4.07Å; R244-I269 HydrophobicContact CG-CG2 3.91Å; I247-I269 HydrophobicContact CB-CG1 4.12Å; I247-I269 HydrophobicContact CG2-CD1 4.35Å; I247-I269 HydrophobicContact CG2-CG1 3.77Å; R248-I269 HydrophobicContact CB-CD1 3.88Å; R248-I269 HydrophobicContact CG-CD1 4.35Å; F265-I269 VanDerWaalsContact O-CG1 3.28Å; F265-I269 WeakPolarHBondContact O-CG1 3.37Å; F265-I269 PolarHBondContact O-N 3.04Å; D266-I269 PolarHBondContact O-N 2.85Å; E267-I269 PolarHBondContact O-N 3.22Å; I269-N271 VanDerWaalsContact C-N 3.33Å
270K96.5Very high94.2Very high155 Ų15553.7 Ų53.767%0.67427%0.274SS*.Hα-helixtrans-62.9-40.9177.4-72.6167-172.7165.50111.3D266 E267 A268D266-K270 VanDerWaalsContact O-CG 3.27Å; D266-K270 WeakPolarHBondContact O-CG 3.29Å; D266-K270 PolarHBondContact O-N 3.23Å; E267-K270 PolarHBondContact O-N 2.85Å; A268-K270 PolarHBondContact O-N 3.33Å
271N96.4Very high94.5Very high44 Ų4452.2 Ų52.224%0.23527%0.268CS..Hα-helixtrans-80.9-9.3-176.1-78.1-70.8000115W214 E267 A268 I269 N273 T274 A275W214-N271 HydrophobicContact CD2-CB 4.13Å; W214-N271 HydrophobicContact CE3-CB 3.79Å; W214-N271 HydrophobicContact CH2-CB 3.51Å; W214-N271 HydrophobicContact CZ2-CB 3.84Å; W214-N271 HydrophobicContact CZ3-CB 3.49Å; W214-N271 VanDerWaalsContact CZ3-CB 3.49Å; E267-N271 WeakPolarHBondContact CG-ND2 3.25Å; E267-N271 WeakPolarHBondContact O-CB 3.36Å; E267-N271 PolarHBondContact O-N 3.2Å; E267-N271 PolarHBondContact O-ND2 2.88Å; A268-N271 PolarHBondContact O-N 3.14Å; I269-N271 VanDerWaalsContact C-N 3.33Å; N271-N273 PolarHBondContact O-N 2.78Å; N271-T274 PolarHBondContact O-N 3.28Å; N271-T274 PolarHBondContact O-OG1 3.17Å; N271-T274 VanDerWaalsContact O-OG1 3.08Å; N271-A275 WeakPolarHBondContact O-CB 3.36Å; N271-A275 PolarHBondContact O-N 3.3Å
272V94.9Very high94.7Very high0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-48.4-38.3177.81690000113.4K240 F243 R244 I247 A268 T274 L276K240-V272 HydrophobicContact CB-CG1 4.32Å; F243-V272 HydrophobicContact CD1-CB 4.47Å; F243-V272 HydrophobicContact CD1-CG1 3.72Å; F243-V272 HydrophobicContact CD1-CG2 3.85Å; F243-V272 HydrophobicContact CE1-CG1 4.29Å; F243-V272 HydrophobicContact CE1-CG2 3.96Å; R244-V272 HydrophobicContact CG-CB 4.14Å; R244-V272 HydrophobicContact CG-CG1 4.27Å; R244-V272 HydrophobicContact CG-CG2 3.91Å; I247-V272 HydrophobicContact CD1-CG2 3.78Å; A268-V272 WeakPolarHBondContact O-CG2 3.41Å; A268-V272 PolarHBondContact O-N 3.33Å; A268-V272 VanDerWaalsContact O-N 3.14Å; V272-T274 PolarHBondContact O-N 3.34Å; V272-L276 HydrophobicContact CG1-CD1 3.84Å; V272-L276 HydrophobicContact CG1-CG 4.48Å; V272-L276 WeakPolarHBondContact O-CG 3.45Å; V272-L276 PolarHBondContact O-N 3.5Å
273N89.5Confident94.7Very high78 Ų7851.9 Ų51.942%0.41728%0.275SS..Hα-helixtrans-66-39.1-177.1-87.5-27.5000113.3R244 N271R244-N273 PolarHBondContact NH2-ND2 3.02Å; R244-N273 PolarHBondContact NH2-OD1 2.97Å; N271-N273 PolarHBondContact O-N 2.78Å
274T91.1Very high94.7Very high70 Ų7047.9 Ų47.943%0.42926%0.263SS..Hα-helixtrans-92.5-33.1-176470000111.9L180 N271 V272 N277L180-T274 HydrophobicContact CD2-CG2 4.37Å; N271-T274 PolarHBondContact O-N 3.28Å; N271-T274 PolarHBondContact O-OG1 3.17Å; N271-T274 VanDerWaalsContact O-OG1 3.08Å; V272-T274 PolarHBondContact O-N 3.34Å; T274-N277 PolarHBondContact O-N 3.08Å; T274-N277 PolarHBondContact O-ND2 2.93Å
275A93.1Very high94.7Very high5 Ų548 Ų484%0.04126%0.263CS..Hα-helixtrans-72.3-29.9-175.800000114.2L183 L185 W214 N271 N277L183-A275 HydrophobicContact CD1-CB 4.02Å; L185-A275 HydrophobicContact CD1-CB 3.83Å; W214-A275 HydrophobicContact CH2-CB 3.74Å; W214-A275 HydrophobicContact CZ3-CB 3.56Å; N271-A275 WeakPolarHBondContact O-CB 3.36Å; N271-A275 PolarHBondContact O-N 3.3Å; A275-N277 VanDerWaalsContact C-N 3.31Å
276L89Confident94.7Very high16 Ų1652.5 Ų52.58%0.08429%0.285CS..THydrogen-bonded Turntrans-9418.2179.5-56.8-176.9000112.9V218 L222 P234 F243 V272V218-L276 HydrophobicContact CG1-CD2 4Å; L222-L276 HydrophobicContact CD1-CD2 4.08Å; L222-L276 HydrophobicContact CD2-CD2 3.86Å; L222-L276 HydrophobicContact CG-CD2 4.49Å; P234-L276 HydrophobicContact CB-CD1 4.22Å; P234-L276 HydrophobicContact CG-CD1 3.94Å; F243-L276 HydrophobicContact CD1-CD1 3.91Å; F243-L276 HydrophobicContact CE1-CD1 3.88Å; V272-L276 HydrophobicContact CG1-CD1 3.84Å; V272-L276 HydrophobicContact CG1-CG 4.48Å; V272-L276 WeakPolarHBondContact O-CG 3.45Å; V272-L276 PolarHBondContact O-N 3.5Å
277N87.4Confident94.8Very high56 Ų5654.8 Ų54.830%0.29930%0.297SS..  trans-71.1134.5173.6-81.1-37.8000109.8L180 T274 A275 T279L180-N277 HydrophobicContact CD1-CB 4.2Å; L180-N277 WeakPolarHBondContact CD1-ND2 3.49Å; L180-N277 WeakPolarHBondContact CD2-ND2 3.42Å; T274-N277 PolarHBondContact O-N 3.08Å; T274-N277 PolarHBondContact O-ND2 2.93Å; A275-N277 VanDerWaalsContact C-N 3.31Å; N277-T279 PolarHBondContact O-N 2.71Å
278P91.2Very high94.8Very high91 Ų9154 Ų5459%0.59129%0.294SS*.  trans-59.8132.3179.3-2433.5000112K280P278-K280 PolarHBondContact O-N 2.85Å
279T95.1Very high94.8Very high25 Ų2554.6 Ų54.615%0.15330%0.296CS..  trans-65.7115.9167.2-600000107.7D186 Q187 N277 N322D186-T279 WeakPolarHBondContact OD1-CB 3.48Å; D186-T279 PolarHBondContact OD1-N 3.44Å; D186-T279 PolarHBondContact OD1-OG1 3.31Å; D186-T279 WeakPolarHBondContact OD2-CB 3.47Å; D186-T279 PolarHBondContact OD2-N 3.35Å; Q187-T279 PolarHBondContact NE2-O 3.35Å; N277-T279 PolarHBondContact O-N 2.71Å; T279-N322 HydrophobicContact CG2-CB 4.44Å; T279-N322 WeakPolarHBondContact CG2-OD1 3.49Å
280K94.7Very high94.8Very high162 Ų16258.1 Ų58.170%0.70432%0.322SS*.  trans-150.1157.5-18067.9177.2-175.5172.50111.2P278P278-K280 PolarHBondContact O-N 2.85Å
281I97.2Very high94.8Very high23 Ų2351.8 Ų51.812%0.11830%0.297CS..  trans-72.6128.9172.8-49.3-174.5000108.3V285 E286 F289 V315 L323I281-V285 HydrophobicContact CG2-CB 3.93Å; I281-V285 HydrophobicContact CG2-CG1 3.97Å; I281-E286 HydrophobicContact CB-CG 3.96Å; I281-E286 HydrophobicContact CG2-CG 3.69Å; I281-F289 HydrophobicContact CD1-CE2 4.12Å; I281-F289 HydrophobicContact CG2-CE2 4.23Å; I281-V315 HydrophobicContact CD1-CG1 3.64Å; I281-V315 HydrophobicContact CD1-CG2 4.41Å; I281-L323 HydrophobicContact CG1-CG 4.28Å; I281-L323 HydrophobicContact CG2-CD1 4.33Å; I281-L323 HydrophobicContact CG2-CD2 4.4Å; I281-L323 HydrophobicContact CG2-CG 4.37Å
282P96.7Very high94.8Very high43 Ų4356.8 Ų56.828%0.27932%0.319SS..  trans-63.6142.6174.1-24.737000111.1A284 V285 E286 A388P282-A284 PolarHBondContact O-N 3.45Å; P282-V285 HydrophobicContact CB-CG2 4.32Å; P282-V285 HydrophobicContact CG-CG2 4.46Å; P282-V285 WeakPolarHBondContact O-CA 3.39Å; P282-V285 WeakPolarHBondContact O-CB 3.32Å; P282-V285 PolarHBondContact O-N 2.91Å; P282-E286 PolarHBondContact O-N 2.97Å; P282-A388 HydrophobicContact CG-CB 4.15Å; P282-A388 WeakPolarHBondContact CG-O 3.48Å
283S96.4Very high94.9Very high86 Ų8660.6 Ų60.660%0.60134%0.337SS*.Hα-helixtrans-55.2-39.8-177.858.80000112.6V285 E286 D287S283-V285 PolarHBondContact O-N 2.67Å; S283-E286 WeakPolarHBondContact O-CB 3.1Å; S283-E286 PolarHBondContact O-N 3.23Å; S283-E286 VanDerWaalsContact O-N 3.08Å; S283-D287 VanDerWaalsContact O-CG 3.25Å; S283-D287 PolarHBondContact O-N 3.45Å
284A95.5Very high95.2Very high39 Ų3956.9 Ų56.932%0.32232%0.317SS..Hα-helixtrans-57.8-33.917600000112.7P282 L288P282-A284 PolarHBondContact O-N 3.45Å; A284-L288 VanDerWaalsContact O-CG 3.26Å; A284-L288 WeakPolarHBondContact O-CG 3.48Å; A284-L288 PolarHBondContact O-N 2.88Å
285V97.7Very high95.5Very high1 Ų156.3 Ų56.31%0.00631%0.312CS..Hα-helixtrans-80.9-34.4177.2-178.30000111I281 P282 S283 D287 L288 F289 L323 A387I281-V285 HydrophobicContact CG2-CB 3.93Å; I281-V285 HydrophobicContact CG2-CG1 3.97Å; P282-V285 HydrophobicContact CB-CG2 4.32Å; P282-V285 HydrophobicContact CG-CG2 4.46Å; P282-V285 WeakPolarHBondContact O-CA 3.39Å; P282-V285 WeakPolarHBondContact O-CB 3.32Å; P282-V285 PolarHBondContact O-N 2.91Å; S283-V285 PolarHBondContact O-N 2.67Å; V285-D287 VanDerWaalsContact C-N 3.33Å; V285-D287 PolarHBondContact O-N 2.94Å; V285-L288 WeakPolarHBondContact O-CB 3.29Å; V285-L288 PolarHBondContact O-N 2.99Å; V285-F289 HydrophobicContact CG1-CD2 4.45Å; V285-F289 HydrophobicContact CG1-CE1 4.13Å; V285-F289 HydrophobicContact CG1-CE2 4.02Å; V285-F289 HydrophobicContact CG1-CZ 3.84Å; V285-F289 WeakPolarHBondContact O-CG 3.38Å; V285-F289 PolarHBondContact O-N 2.97Å; V285-L323 HydrophobicContact CG1-CD2 4.29Å; V285-A387 WeakPolarHBondContact CG2-O 3.39Å
286E97.8Very high95.6Very high96 Ų9661 Ų6145%0.44934%0.336SS..Hα-helixtrans-61.2-41.2172.2-64.7-175.1161.700111.9I281 P282 S283 L288 F289 S290I281-E286 HydrophobicContact CB-CG 3.96Å; I281-E286 HydrophobicContact CG2-CG 3.69Å; P282-E286 PolarHBondContact O-N 2.97Å; S283-E286 WeakPolarHBondContact O-CB 3.1Å; S283-E286 PolarHBondContact O-N 3.23Å; S283-E286 VanDerWaalsContact O-N 3.08Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 3.07Å; E286-F289 PolarHBondContact O-N 3.33Å; E286-S290 WeakPolarHBondContact O-CB 3.5Å; E286-S290 PolarHBondContact O-N 3.28Å; E286-S290 PolarHBondContact O-OG 3.37Å
287D97.7Very high96Very high111 Ų11161.6 Ų61.659%0.59434%0.339SS*.Hα-helixtrans-60.2-44.2174.3-65.5-28.4000110.5S283 V285 S290 S291S283-D287 VanDerWaalsContact O-CG 3.25Å; S283-D287 PolarHBondContact O-N 3.45Å; V285-D287 VanDerWaalsContact C-N 3.33Å; V285-D287 PolarHBondContact O-N 2.94Å; D287-S290 PolarHBondContact O-N 2.99Å; D287-S290 VanDerWaalsContact O-N 3.11Å; D287-S291 PolarHBondContact O-N 2.92Å; D287-S291 VanDerWaalsContact O-N 3.1Å
288L97.9Very high96.4Very high19 Ų1961.9 Ų61.910%0.09934%0.343CS..Hα-helixtrans-64.3-40.8175.9-66.3176.8000112.3A284 V285 E286 S290 S291 C294 F304 W305 L308 L390 V392A284-L288 VanDerWaalsContact O-CG 3.26Å; A284-L288 WeakPolarHBondContact O-CG 3.48Å; A284-L288 PolarHBondContact O-N 2.88Å; V285-L288 WeakPolarHBondContact O-CB 3.29Å; V285-L288 PolarHBondContact O-N 2.99Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 3.07Å; L288-S290 PolarHBondContact O-N 2.99Å; L288-S291 WeakPolarHBondContact O-CB 3.25Å; L288-S291 PolarHBondContact O-N 3.22Å; L288-S291 PolarHBondContact O-OG 2.77Å; L288-C294 VanDerWaalsContact O-CB 3.27Å; L288-C294 WeakPolarHBondContact O-CB 3.27Å; L288-F304 HydrophobicContact CD1-CZ 4.43Å; L288-W305 HydrophobicContact CD2-CH2 3.92Å; L288-W305 HydrophobicContact CD2-CZ3 4.3Å; L288-L308 HydrophobicContact CB-CD1 4.4Å; L288-L308 HydrophobicContact CB-CD2 3.73Å; L288-L390 HydrophobicContact CD1-CB 4.02Å; L288-V392 HydrophobicContact CD1-CG2 4.23Å; L288-V392 HydrophobicContact CD2-CB 3.79Å; L288-V392 HydrophobicContact CD2-CG2 3.39Å; L288-V392 HydrophobicContact CG-CG2 4.47Å
289F98.3Very high96.5Very high14 Ų1459.9 Ų59.96%0.06133%0.334CS..Hα-helixtrans-62.8-29.4173.2-72.7-17.7000112.7I281 V285 E286 N295 L308 V311 K312 V315 L323I281-F289 HydrophobicContact CD1-CE2 4.12Å; I281-F289 HydrophobicContact CG2-CE2 4.23Å; V285-F289 HydrophobicContact CG1-CD2 4.45Å; V285-F289 HydrophobicContact CG1-CE1 4.13Å; V285-F289 HydrophobicContact CG1-CE2 4.02Å; V285-F289 HydrophobicContact CG1-CZ 3.84Å; V285-F289 WeakPolarHBondContact O-CG 3.38Å; V285-F289 PolarHBondContact O-N 2.97Å; E286-F289 PolarHBondContact O-N 3.33Å; F289-N295 PolarHBondContact O-ND2 3.46Å; F289-L308 HydrophobicContact CD1-CD1 3.83Å; F289-L308 HydrophobicContact CD1-CD2 4.4Å; F289-L308 HydrophobicContact CD1-CG 3.92Å; F289-L308 HydrophobicContact CE1-CD1 3.54Å; F289-L308 HydrophobicContact CE1-CG 3.95Å; F289-V311 HydrophobicContact CE1-CG1 4.4Å; F289-V311 HydrophobicContact CZ-CG1 3.98Å; F289-K312 HydrophobicContact CB-CD 4.01Å; F289-K312 HydrophobicContact CB-CG 4.42Å; F289-K312 HydrophobicContact CD1-CB 3.8Å; F289-K312 HydrophobicContact CD1-CD 4.26Å; F289-K312 HydrophobicContact CD1-CG 4.12Å; F289-K312 HydrophobicContact CD2-CG 4.45Å; F289-K312 HydrophobicContact CE1-CB 3.81Å; F289-K312 HydrophobicContact CE1-CG 4.49Å; F289-K312 HydrophobicContact CG-CB 4.28Å; F289-K312 HydrophobicContact CG-CD 4.18Å; F289-K312 HydrophobicContact CG-CG 4.1Å; F289-K312 HydrophobicContact CZ-CB 4.3Å; F289-K312 PolarHBondContact O-NZ 2.89Å; F289-V315 HydrophobicContact CE2-CG2 4.08Å; F289-V315 HydrophobicContact CZ-CG2 4.13Å; F289-L323 HydrophobicContact CE2-CD2 4.16Å; F289-L323 HydrophobicContact CZ-CD2 3.87Å
290S97.3Very high96.5Very high87 Ų8766.1 Ų66.161%0.60836%0.362SS*.Hα-helixtrans-83.2-15.6-179.3-57.20000113E286 D287 L288 N295E286-S290 WeakPolarHBondContact O-CB 3.5Å; E286-S290 PolarHBondContact O-N 3.28Å; E286-S290 PolarHBondContact O-OG 3.37Å; D287-S290 PolarHBondContact O-N 2.99Å; D287-S290 VanDerWaalsContact O-N 3.11Å; L288-S290 PolarHBondContact O-N 2.99Å; S290-N295 PolarHBondContact O-ND2 2.72Å
291S96.8Very high96.5Very high22 Ų2259 Ų5915%0.15433%0.332CS..SBendtrans-60150.5179.4710000113.9D287 L288 Q293 C294 N295 W305D287-S291 PolarHBondContact O-N 2.92Å; D287-S291 VanDerWaalsContact O-N 3.1Å; L288-S291 WeakPolarHBondContact O-CB 3.25Å; L288-S291 PolarHBondContact O-N 3.22Å; L288-S291 PolarHBondContact O-OG 2.77Å; S291-Q293 VanDerWaalsContact C-N 3.3Å; S291-Q293 PolarHBondContact O-N 3.38Å; S291-C294 PolarHBondContact O-N 3.15Å; S291-C294 VanDerWaalsContact OG-CB 3.32Å; S291-C294 WeakPolarHBondContact OG-CB 3.21Å; S291-C294 PolarHBondContact OG-N 3.33Å; S291-N295 PolarHBondContact O-N 2.85Å; S291-N295 VanDerWaalsContact O-N 3.16Å; S291-N295 PolarHBondContact O-ND2 2.9Å; S291-W305 WeakPolarHBondContact OG-CZ3 2.98Å
292E96.2Very high96.5Very high148 Ų14861.2 Ų61.269%0.69235%0.348SS*.Hα-helixtrans-64.3-36.7175.7-66.2-165.6161.900111.7C294 N295 N296E292-C294 VanDerWaalsContact C-N 3.28Å; E292-C294 PolarHBondContact O-N 3.03Å; E292-N295 PolarHBondContact O-N 3.42Å; E292-N295 VanDerWaalsContact O-N 3.12Å; E292-N296 WeakPolarHBondContact O-CB 3.39Å; E292-N296 PolarHBondContact O-N 3.34Å
293Q96.1Very high96.5Very high81 Ų8161.8 Ų61.838%0.37935%0.353SS..Hα-helixtrans-60.8-36.5178.4-61.794.2-49.700112.4E168 S291 I297 W305E168-Q293 PolarHBondContact OE2-NE2 3.29Å; S291-Q293 VanDerWaalsContact C-N 3.3Å; S291-Q293 PolarHBondContact O-N 3.38Å; Q293-I297 WeakPolarHBondContact O-CD1 3.33Å; Q293-W305 HydrophobicContact CB-CD2 3.41Å; Q293-W305 VanDerWaalsContact CB-CD2 3.41Å; Q293-W305 VanDerWaalsContact CB-CE2 3.46Å; Q293-W305 HydrophobicContact CB-CE3 3.71Å; Q293-W305 HydrophobicContact CB-CG 3.87Å; Q293-W305 HydrophobicContact CB-CH2 4.09Å; Q293-W305 HydrophobicContact CB-CZ2 3.82Å; Q293-W305 HydrophobicContact CB-CZ3 4.06Å; Q293-W305 HydrophobicContact CG-CD2 4.38Å; Q293-W305 HydrophobicContact CG-CZ2 4.07Å
294C97.1Very high96.5Very high0 Ų058.1 Ų58.10%033%0.326CS..Hα-helixtrans-75.5-35.3174.8-173.10000112.2L288 S291 E292 W305 L308 R309L288-C294 VanDerWaalsContact O-CB 3.27Å; L288-C294 WeakPolarHBondContact O-CB 3.27Å; S291-C294 PolarHBondContact O-N 3.15Å; S291-C294 VanDerWaalsContact OG-CB 3.32Å; S291-C294 WeakPolarHBondContact OG-CB 3.21Å; S291-C294 PolarHBondContact OG-N 3.33Å; E292-C294 VanDerWaalsContact C-N 3.28Å; E292-C294 PolarHBondContact O-N 3.03Å; C294-W305 HydrophobicContact CB-CE3 4.01Å; C294-W305 HydrophobicContact CB-CZ3 4.17Å; C294-L308 HydrophobicContact CB-CD2 3.86Å; C294-R309 WeakPolarHBondContact O-CD 3.44Å
295N95.8Very high96.7Very high58 Ų5856.5 Ų56.531%0.3131%0.312SS..Hα-helixtrans-80.1-30.1-176-72.8-48.3000113.9F289 S290 S291 E292 R309 K312F289-N295 PolarHBondContact O-ND2 3.46Å; S290-N295 PolarHBondContact O-ND2 2.72Å; S291-N295 PolarHBondContact O-N 2.85Å; S291-N295 VanDerWaalsContact O-N 3.16Å; S291-N295 PolarHBondContact O-ND2 2.9Å; E292-N295 PolarHBondContact O-N 3.42Å; E292-N295 VanDerWaalsContact O-N 3.12Å; N295-R309 PolarHBondContact OD1-NH1 2.76Å; N295-K312 PolarHBondContact OD1-NZ 2.74Å
296N95.6Very high96.7Very high103 Ų10356.5 Ų56.555%0.55131%0.312SS*.SBendtrans-118.177.5-173.6-60.4-41.3000110.5E292E292-N296 WeakPolarHBondContact O-CB 3.39Å; E292-N296 PolarHBondContact O-N 3.34Å
297I97.1Very high96.7Very high28 Ų2852.2 Ų52.214%0.14429%0.292CS..  trans-74.5131.9177-55.5-60.5000110.2Q293 W305 V306 R309 V368Q293-I297 WeakPolarHBondContact O-CD1 3.33Å; I297-W305 HydrophobicContact CD1-CB 4.28Å; I297-V306 HydrophobicContact CG2-CG2 4.01Å; I297-R309 HydrophobicContact CD1-CB 3.92Å; I297-R309 HydrophobicContact CD1-CG 4.44Å; I297-R309 HydrophobicContact CG1-CB 3.88Å; I297-R309 HydrophobicContact CG1-CG 3.86Å; I297-V368 HydrophobicContact CG2-CG1 4.01Å
298T95.9Very high96.8Very high63 Ų6347 Ų4739%0.38726%0.264SS..  trans-129.2172.9179.968.30000110.7Q300 S301T298-Q300 PolarHBondContact O-N 3.29Å; T298-Q300 VanDerWaalsContact O-N 3.16Å; T298-Q300 PolarHBondContact OG1-N 3.13Å; T298-S301 PolarHBondContact N-OG 2.82Å; T298-S301 WeakPolarHBondContact O-CB 3.34Å; T298-S301 PolarHBondContact O-N 2.9Å; T298-S301 VanDerWaalsContact O-N 3.12Å; T298-S301 PolarHBondContact O-OG 3.12Å; T298-S301 PolarHBondContact OG1-N 3.17Å; T298-S301 PolarHBondContact OG1-OG 3.45Å
299A94.3Very high96.8Very high49 Ų4948.5 Ų48.541%0.40527%0.268SS..THydrogen-bonded Turntrans-63.3-16.9173.300000112.9K370A299-K370 WeakPolarHBondContact O-CE 3.39Å; A299-K370 PolarHBondContact O-NZ 3.28Å
300Q94.4Very high96.8Very high156 Ų15647.8 Ų47.873%0.72927%0.265SS*.THydrogen-bonded Turntrans-95.5-11.3178-65.573.123.700112.5T298 P302T298-Q300 PolarHBondContact O-N 3.29Å; T298-Q300 VanDerWaalsContact O-N 3.16Å; T298-Q300 PolarHBondContact OG1-N 3.13Å; Q300-P302 WeakPolarHBondContact O-CD 3.39Å
301S95.8Very high96.9Very high12 Ų1243.7 Ų43.78%0.08424%0.236CC..  trans-60.1129.6-177.3-65.20000111.7T298 K370T298-S301 PolarHBondContact N-OG 2.82Å; T298-S301 WeakPolarHBondContact O-CB 3.34Å; T298-S301 PolarHBondContact O-N 2.9Å; T298-S301 VanDerWaalsContact O-N 3.12Å; T298-S301 PolarHBondContact O-OG 3.12Å; T298-S301 PolarHBondContact OG1-N 3.17Å; T298-S301 PolarHBondContact OG1-OG 3.45Å; S301-K370 PolarHBondContact O-NZ 3.2Å
302P95.6Very high97Very high69 Ų6945.1 Ų45.145%0.44824%0.24SC..  trans-59.2153.1172.8-24.932.4000113Q300 F304 W305 V306Q300-P302 WeakPolarHBondContact O-CD 3.39Å; P302-F304 PolarHBondContact O-N 2.86Å; P302-W305 PolarHBondContact O-N 3.36Å; P302-W305 VanDerWaalsContact O-N 3.11Å; P302-V306 PolarHBondContact O-N 3.44Å
303S96.6Very high97.1Very high56 Ų5640.6 Ų40.639%0.39222%0.219SC..Hα-helixtrans-55.9-35.3-178.5-55.30000113.3W305 V306 M307S303-W305 PolarHBondContact O-N 3.01Å; S303-V306 PolarHBondContact O-N 2.76Å; S303-M307 WeakPolarHBondContact O-CG 3.4Å; S303-M307 PolarHBondContact O-N 3.26Å
304F97.8Very high97.2Very high8 Ų836.9 Ų36.94%0.03520%0.201CC..Hα-helixtrans-54.2-50.5175.7177.7-90.9000112.3T170 I172 L288 P302 V306 M307 L308 F383 L390 V392T170-F304 HydrophobicContact CG2-CB 4.06Å; T170-F304 HydrophobicContact CG2-CD1 3.5Å; T170-F304 VanDerWaalsContact CG2-CD1 3.5Å; T170-F304 HydrophobicContact CG2-CD2 4.23Å; T170-F304 HydrophobicContact CG2-CE1 3.95Å; T170-F304 HydrophobicContact CG2-CG 3.67Å; T170-F304 HydrophobicContact CG2-CZ 4.47Å; I172-F304 HydrophobicContact CD1-CD2 4.46Å; I172-F304 HydrophobicContact CG1-CD2 3.88Å; I172-F304 HydrophobicContact CG1-CE2 4.14Å; L288-F304 HydrophobicContact CD1-CZ 4.43Å; P302-F304 PolarHBondContact O-N 2.86Å; F304-V306 PolarHBondContact O-N 3.31Å; F304-M307 PolarHBondContact O-N 2.96Å; F304-L308 HydrophobicContact CE1-CD2 4.47Å; F304-L308 WeakPolarHBondContact O-CB 3.22Å; F304-L308 PolarHBondContact O-N 3.46Å; F304-F383 AromaticContact CD2-CE2 3.74Å; F304-F383 HydrophobicContact CD2-CE2 3.74Å; F304-F383 AromaticContact CE2-CE2 3.9Å; F304-F383 HydrophobicContact CE2-CE2 3.9Å; F304-F383 HydrophobicContact CE2-CZ 4.39Å; F304-F383 HydrophobicContact CG-CE2 4.38Å; F304-L390 HydrophobicContact CE2-CD2 4.25Å; F304-L390 HydrophobicContact CZ-CB 4.37Å; F304-V392 HydrophobicContact CE1-CG2 3.55Å; F304-V392 HydrophobicContact CZ-CG2 3.7Å
305W98.2Very high97.3Very high6 Ų637.6 Ų37.62%0.02321%0.205CC..Hα-helixtrans-69.9-33.7-177.7-67.5113.2000112.4E168 L288 S291 Q293 C294 I297 P302 S303 L308 R309 V392E168-W305 PolarHBondContact OE1-NE1 3.2Å; E168-W305 WeakPolarHBondContact OE2-CZ2 3.42Å; E168-W305 PolarHBondContact OE2-NE1 3.39Å; L288-W305 HydrophobicContact CD2-CH2 3.92Å; L288-W305 HydrophobicContact CD2-CZ3 4.3Å; S291-W305 WeakPolarHBondContact OG-CZ3 2.98Å; Q293-W305 HydrophobicContact CB-CD2 3.41Å; Q293-W305 VanDerWaalsContact CB-CD2 3.41Å; Q293-W305 VanDerWaalsContact CB-CE2 3.46Å; Q293-W305 HydrophobicContact CB-CE3 3.71Å; Q293-W305 HydrophobicContact CB-CG 3.87Å; Q293-W305 HydrophobicContact CB-CH2 4.09Å; Q293-W305 HydrophobicContact CB-CZ2 3.82Å; Q293-W305 HydrophobicContact CB-CZ3 4.06Å; Q293-W305 HydrophobicContact CG-CD2 4.38Å; Q293-W305 HydrophobicContact CG-CZ2 4.07Å; C294-W305 HydrophobicContact CB-CE3 4.01Å; C294-W305 HydrophobicContact CB-CZ3 4.17Å; I297-W305 HydrophobicContact CD1-CB 4.28Å; P302-W305 PolarHBondContact O-N 3.36Å; P302-W305 VanDerWaalsContact O-N 3.11Å; S303-W305 PolarHBondContact O-N 3.01Å; W305-L308 HydrophobicContact CE3-CD2 3.57Å; W305-L308 HydrophobicContact CZ3-CD2 3.46Å; W305-L308 VanDerWaalsContact CZ3-CD2 3.46Å; W305-L308 PolarHBondContact O-N 3.05Å; W305-R309 WeakPolarHBondContact O-CB 3.47Å; W305-R309 PolarHBondContact O-N 3.43Å; W305-V392 HydrophobicContact CH2-CG2 4.09Å; W305-V392 HydrophobicContact CZ2-CG1 4.39Å; W305-V392 HydrophobicContact CZ2-CG2 4.16Å
306V98.2Very high97.3Very high1 Ų142.4 Ų42.41%0.00623%0.226CC..Hα-helixtrans-64.8-46.6173.5-176.50000110.8I297 P302 S303 F304 R309 G310 V361 L364 L365 I375I297-V306 HydrophobicContact CG2-CG2 4.01Å; P302-V306 PolarHBondContact O-N 3.44Å; S303-V306 PolarHBondContact O-N 2.76Å; F304-V306 PolarHBondContact O-N 3.31Å; V306-R309 PolarHBondContact O-N 2.87Å; V306-G310 PolarHBondContact O-N 3.02Å; V306-V361 HydrophobicContact CG1-CG1 4.18Å; V306-L364 HydrophobicContact CG1-CB 4.25Å; V306-L365 HydrophobicContact CG1-CD2 3.93Å; V306-L365 HydrophobicContact CG1-CG 4.12Å; V306-I375 HydrophobicContact CB-CD1 4.02Å; V306-I375 HydrophobicContact CG1-CD1 4.06Å
307M98.6Very high97.4Very high6 Ų640 Ų403%0.0322%0.217CC..Hα-helixtrans-63.8-42.5176.2-70.4-174.2-71.400111.8I172 S303 F304 R309 G310 V311 I375 D379 I380 F383I172-M307 HydrophobicContact CD1-CE 3.95Å; S303-M307 WeakPolarHBondContact O-CG 3.4Å; S303-M307 PolarHBondContact O-N 3.26Å; F304-M307 PolarHBondContact O-N 2.96Å; M307-R309 VanDerWaalsContact C-N 3.31Å; M307-R309 PolarHBondContact O-N 2.89Å; M307-G310 PolarHBondContact O-N 3.02Å; M307-G310 VanDerWaalsContact O-N 3.14Å; M307-V311 WeakPolarHBondContact O-CG2 3.44Å; M307-V311 PolarHBondContact O-N 3.42Å; M307-I375 HydrophobicContact CG-CD1 4.16Å; M307-I375 HydrophobicContact CG-CG2 4.02Å; M307-I375 HydrophobicContact SD-CG2 3.73Å; M307-D379 HydrophobicContact SD-CB 4.29Å; M307-I380 HydrophobicContact CG-CG1 4.37Å; M307-I380 HydrophobicContact SD-CG1 4.18Å; M307-F383 HydrophobicContact CB-CD1 4Å; M307-F383 HydrophobicContact CB-CD2 3.68Å; M307-F383 HydrophobicContact CB-CE1 4.05Å; M307-F383 HydrophobicContact CB-CE2 3.73Å; M307-F383 HydrophobicContact CB-CG 3.82Å; M307-F383 HydrophobicContact CB-CZ 3.92Å; M307-F383 HydrophobicContact CE-CD2 3.66Å; M307-F383 HydrophobicContact CE-CE2 4.18Å; M307-F383 HydrophobicContact CE-CG 4.45Å; M307-F383 HydrophobicContact CG-CD2 4.4Å; M307-F383 HydrophobicContact SD-CB 3.96Å; M307-F383 HydrophobicContact SD-CD2 3.87Å; M307-F383 HydrophobicContact SD-CG 4.08Å
308L98.7Very high97.4Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-59.4-43.4175.6-17473.2000111.3L288 F289 C294 F304 W305 G310 V311 K312 F383 L390L288-L308 HydrophobicContact CB-CD1 4.4Å; L288-L308 HydrophobicContact CB-CD2 3.73Å; F289-L308 HydrophobicContact CD1-CD1 3.83Å; F289-L308 HydrophobicContact CD1-CD2 4.4Å; F289-L308 HydrophobicContact CD1-CG 3.92Å; F289-L308 HydrophobicContact CE1-CD1 3.54Å; F289-L308 HydrophobicContact CE1-CG 3.95Å; C294-L308 HydrophobicContact CB-CD2 3.86Å; F304-L308 HydrophobicContact CE1-CD2 4.47Å; F304-L308 WeakPolarHBondContact O-CB 3.22Å; F304-L308 PolarHBondContact O-N 3.46Å; W305-L308 HydrophobicContact CE3-CD2 3.57Å; W305-L308 HydrophobicContact CZ3-CD2 3.46Å; W305-L308 VanDerWaalsContact CZ3-CD2 3.46Å; W305-L308 PolarHBondContact O-N 3.05Å; L308-G310 VanDerWaalsContact C-N 3.34Å; L308-V311 PolarHBondContact O-N 3.16Å; L308-K312 PolarHBondContact O-N 3.05Å; L308-F383 HydrophobicContact CB-CE1 4.42Å; L308-F383 HydrophobicContact CB-CZ 3.84Å; L308-F383 HydrophobicContact CD1-CE1 4.44Å; L308-F383 HydrophobicContact CD1-CZ 4.15Å; L308-L390 HydrophobicContact CD1-CD1 3.57Å
309R98.4Very high97.4Very high51 Ų5140.3 Ų40.319%0.19222%0.216CC..Hα-helixtrans-64.4-40.2175.7-178.753.2-179.3-142.78.3111.5C294 N295 I297 W305 V306 M307 V311 K312 E313 L364C294-R309 WeakPolarHBondContact O-CD 3.44Å; N295-R309 PolarHBondContact OD1-NH1 2.76Å; I297-R309 HydrophobicContact CD1-CB 3.92Å; I297-R309 HydrophobicContact CD1-CG 4.44Å; I297-R309 HydrophobicContact CG1-CB 3.88Å; I297-R309 HydrophobicContact CG1-CG 3.86Å; W305-R309 WeakPolarHBondContact O-CB 3.47Å; W305-R309 PolarHBondContact O-N 3.43Å; V306-R309 PolarHBondContact O-N 2.87Å; M307-R309 VanDerWaalsContact C-N 3.31Å; M307-R309 PolarHBondContact O-N 2.89Å; R309-V311 VanDerWaalsContact C-N 3.34Å; R309-V311 PolarHBondContact O-N 3.44Å; R309-K312 WeakPolarHBondContact O-CB 3.32Å; R309-K312 PolarHBondContact O-N 3.28Å; R309-K312 VanDerWaalsContact O-N 3.14Å; R309-E313 IonicContact CZ-OE1 3.65Å; R309-E313 IonicContact NE-OE1 3.81Å; R309-E313 PolarHBondContact NE-OE1 3.41Å; R309-E313 IonicContact NH2-OE1 3.94Å; R309-E313 PolarHBondContact NH2-OE1 3.33Å; R309-E313 WeakPolarHBondContact O-CG 3.36Å; R309-E313 PolarHBondContact O-N 3.35Å; R309-L364 HydrophobicContact CB-CD1 3.94Å; R309-L364 HydrophobicContact CG-CD1 3.67Å; R309-L364 HydrophobicContact CG-CD2 3.92Å; R309-L364 HydrophobicContact CG-CG 4.48Å
310G98.3Very high97.4Very high0 Ų042.9 Ų42.90%023%0.231CC..Hα-helixtrans-58.3-43.2172.800000112.9V306 M307 L308 E313 F314V306-G310 PolarHBondContact O-N 3.02Å; M307-G310 PolarHBondContact O-N 3.02Å; M307-G310 VanDerWaalsContact O-N 3.14Å; L308-G310 VanDerWaalsContact C-N 3.34Å; G310-E313 PolarHBondContact O-N 3.42Å; G310-F314 PolarHBondContact O-N 3.4Å
311V98.7Very high97.5Very high1 Ų137.5 Ų37.51%0.00622%0.217CC..Hα-helixtrans-65.4-38.6173.8176.50000111.4F289 M307 L308 R309 E313 F314 V315 L323 P324 V357 F383 A387F289-V311 HydrophobicContact CE1-CG1 4.4Å; F289-V311 HydrophobicContact CZ-CG1 3.98Å; M307-V311 WeakPolarHBondContact O-CG2 3.44Å; M307-V311 PolarHBondContact O-N 3.42Å; L308-V311 PolarHBondContact O-N 3.16Å; R309-V311 VanDerWaalsContact C-N 3.34Å; R309-V311 PolarHBondContact O-N 3.44Å; V311-E313 PolarHBondContact O-N 3.17Å; V311-F314 WeakPolarHBondContact O-CB 3.4Å; V311-F314 PolarHBondContact O-N 2.72Å; V311-V315 HydrophobicContact CG1-CG2 4.31Å; V311-V315 WeakPolarHBondContact O-CG2 3.45Å; V311-V315 PolarHBondContact O-N 3.2Å; V311-L323 HydrophobicContact CG1-CD2 3.88Å; V311-P324 HydrophobicContact CG1-CG 4.31Å; V311-V357 HydrophobicContact CG2-CG1 3.83Å; V311-V357 HydrophobicContact CG2-CG2 4.35Å; V311-F383 HydrophobicContact CB-CE1 4.38Å; V311-F383 HydrophobicContact CG2-CD1 3.65Å; V311-F383 HydrophobicContact CG2-CE1 3.65Å; V311-A387 HydrophobicContact CG1-CB 4.37Å
312K98.6Very high97.6Very high51 Ų5137.5 Ų37.522%0.22222%0.217CC..Hα-helixtrans-61.9-41.8175.9-173.7178.8178173.10112.2F289 N295 L308 R309 V315 H316F289-K312 HydrophobicContact CB-CD 4.01Å; F289-K312 HydrophobicContact CB-CG 4.42Å; F289-K312 HydrophobicContact CD1-CB 3.8Å; F289-K312 HydrophobicContact CD1-CD 4.26Å; F289-K312 HydrophobicContact CD1-CG 4.12Å; F289-K312 HydrophobicContact CD2-CG 4.45Å; F289-K312 HydrophobicContact CE1-CB 3.81Å; F289-K312 HydrophobicContact CE1-CG 4.49Å; F289-K312 HydrophobicContact CG-CB 4.28Å; F289-K312 HydrophobicContact CG-CD 4.18Å; F289-K312 HydrophobicContact CG-CG 4.1Å; F289-K312 HydrophobicContact CZ-CB 4.3Å; F289-K312 PolarHBondContact O-NZ 2.89Å; N295-K312 PolarHBondContact OD1-NZ 2.74Å; L308-K312 PolarHBondContact O-N 3.05Å; R309-K312 WeakPolarHBondContact O-CB 3.32Å; R309-K312 PolarHBondContact O-N 3.28Å; R309-K312 VanDerWaalsContact O-N 3.14Å; K312-V315 PolarHBondContact O-N 2.95Å; K312-H316 PolarHBondContact O-N 3.17Å; K312-H316 VanDerWaalsContact O-N 3.16Å
313E98.4Very high97.8Very high54 Ų5435 Ų3525%0.25220%0.199SC..Hα-helixtrans-65-42.3174.5-65.5-58.115700111.6R309 G310 V311 V315 H316 S317 H360R309-E313 IonicContact CZ-OE1 3.65Å; R309-E313 IonicContact NE-OE1 3.81Å; R309-E313 PolarHBondContact NE-OE1 3.41Å; R309-E313 IonicContact NH2-OE1 3.94Å; R309-E313 PolarHBondContact NH2-OE1 3.33Å; R309-E313 WeakPolarHBondContact O-CG 3.36Å; R309-E313 PolarHBondContact O-N 3.35Å; G310-E313 PolarHBondContact O-N 3.42Å; V311-E313 PolarHBondContact O-N 3.17Å; E313-V315 PolarHBondContact O-N 2.88Å; E313-H316 PolarHBondContact O-N 2.93Å; E313-S317 PolarHBondContact O-N 2.71Å; E313-S317 PolarHBondContact O-OG 3.25Å; E313-H360 HydrophobicContact CB-CB 4.18Å
314F98.7Very high97.9Very high2 Ų232.5 Ų32.51%0.00918%0.182CC..Hα-helixtrans-56.7-48.8173170.1-89.2000111.4G310 V311 H316 S317 E318 G319 P324 D353 A356 V357G310-F314 PolarHBondContact O-N 3.4Å; V311-F314 WeakPolarHBondContact O-CB 3.4Å; V311-F314 PolarHBondContact O-N 2.72Å; F314-H316 PolarHBondContact O-N 2.81Å; F314-S317 CarbonylContact O-C 3.6Å; F314-S317 PolarHBondContact O-N 2.77Å; F314-E318 HydrophobicContact CD2-CB 3.9Å; F314-E318 HydrophobicContact CE2-CB 3.72Å; F314-E318 PolarHBondContact O-N 3.44Å; F314-E318 VanDerWaalsContact O-N 3.14Å; F314-G319 VanDerWaalsContact CE1-CA 3.44Å; F314-G319 WeakPolarHBondContact O-CA 3.37Å; F314-G319 PolarHBondContact O-N 3Å; F314-P324 HydrophobicContact CD1-CG 3.66Å; F314-P324 HydrophobicContact CE1-CB 4.14Å; F314-P324 HydrophobicContact CE1-CG 3.67Å; F314-P324 HydrophobicContact CG-CG 4.33Å; F314-P324 HydrophobicContact CZ-CB 4.46Å; F314-P324 HydrophobicContact CZ-CG 4.31Å; F314-D353 HydrophobicContact CE2-CB 3.85Å; F314-D353 HydrophobicContact CZ-CB 3.71Å; F314-A356 HydrophobicContact CD2-CB 3.81Å; F314-A356 HydrophobicContact CE2-CB 4.02Å; F314-V357 HydrophobicContact CB-CG2 3.64Å; F314-V357 HydrophobicContact CD1-CG2 4.34Å; F314-V357 HydrophobicContact CD2-CG2 3.87Å; F314-V357 HydrophobicContact CG-CG2 3.68Å
315V98.4Very high97.9Very high15 Ų1532.2 Ų32.29%0.09118%0.181CC..Hα-helixtrans-55.5-40.7178.4168.40000110.9I281 F289 V311 K312 E313 S320 G321 N322 L323I281-V315 HydrophobicContact CD1-CG1 3.64Å; I281-V315 HydrophobicContact CD1-CG2 4.41Å; F289-V315 HydrophobicContact CE2-CG2 4.08Å; F289-V315 HydrophobicContact CZ-CG2 4.13Å; V311-V315 HydrophobicContact CG1-CG2 4.31Å; V311-V315 WeakPolarHBondContact O-CG2 3.45Å; V311-V315 PolarHBondContact O-N 3.2Å; K312-V315 PolarHBondContact O-N 2.95Å; E313-V315 PolarHBondContact O-N 2.88Å; V315-S320 PolarHBondContact O-N 3.13Å; V315-G321 WeakPolarHBondContact O-CA 3.07Å; V315-G321 PolarHBondContact O-N 3.34Å; V315-N322 WeakPolarHBondContact CG2-O 3.31Å; V315-L323 HydrophobicContact CG2-CD2 3.88Å
316H97.3Very high97.8Very high160 Ų16033.7 Ų33.774%0.74119%0.186SC*.Hα-helixtrans-72.7-30.3178.7-174.465.1000113.5K312 E313 F314K312-H316 PolarHBondContact O-N 3.17Å; K312-H316 VanDerWaalsContact O-N 3.16Å; E313-H316 PolarHBondContact O-N 2.93Å; F314-H316 PolarHBondContact O-N 2.81Å
317S96.9Very high97.7Very high52 Ų5234.2 Ų34.236%0.36419%0.192SC..THydrogen-bonded Turntrans-105.8-95.2-174.553.70000112.1E313 F314 G319 S320 H360E313-S317 PolarHBondContact O-N 2.71Å; E313-S317 PolarHBondContact O-OG 3.25Å; F314-S317 CarbonylContact O-C 3.6Å; F314-S317 PolarHBondContact O-N 2.77Å; S317-G319 VanDerWaalsContact C-N 3.3Å; S317-G319 PolarHBondContact O-N 3.2Å; S317-S320 PolarHBondContact O-N 3.4Å; S317-H360 PolarHBondContact OG-NE2 3.41Å
318E97.6Very high97.5Very high88 Ų8836.6 Ų36.641%0.41121%0.207SC..THydrogen-bonded Turntrans-66.8-30.8-173.4-55.488.4175.400113.4F314 S320 A356 H360F314-E318 HydrophobicContact CD2-CB 3.9Å; F314-E318 HydrophobicContact CE2-CB 3.72Å; F314-E318 PolarHBondContact O-N 3.44Å; F314-E318 VanDerWaalsContact O-N 3.14Å; E318-S320 VanDerWaalsContact C-N 3.28Å; E318-S320 PolarHBondContact O-N 3.4Å; E318-A356 HydrophobicContact CG-CB 4.14Å; E318-H360 IonicContact OE1-CE1 3.95Å; E318-H360 IonicContact OE1-NE2 2.64Å; E318-H360 PolarHBondContact OE1-NE2 2.67Å; E318-H360 IonicContact OE2-CD2 3.78Å; E318-H360 IonicContact OE2-CE1 3.25Å; E318-H360 IonicContact OE2-NE2 3.84Å; E318-H360 PolarHBondContact OE2-NE2 2.89Å
319G95.8Very high97.4Very high10 Ų1037.3 Ų37.310%0.10321%0.21CC..THydrogen-bonded Turntrans-73.2-13.5-17800000114.7F314 S317 G321 N322F314-G319 VanDerWaalsContact CE1-CA 3.44Å; F314-G319 WeakPolarHBondContact O-CA 3.37Å; F314-G319 PolarHBondContact O-N 3Å; S317-G319 VanDerWaalsContact C-N 3.3Å; S317-G319 PolarHBondContact O-N 3.2Å; G319-G321 VanDerWaalsContact C-N 3.26Å; G319-G321 PolarHBondContact O-N 2.81Å; G319-N322 WeakPolarHBondContact O-CB 3.38Å; G319-N322 PolarHBondContact O-N 2.83Å
320S95Very high97.2Very high102 Ų10236.6 Ų36.671%0.71321%0.212SC*.THydrogen-bonded Turntrans49.943.5178.6-58.40000113.7V315 S317 E318V315-S320 PolarHBondContact O-N 3.13Å; S317-S320 PolarHBondContact O-N 3.4Å; E318-S320 VanDerWaalsContact C-N 3.28Å; E318-S320 PolarHBondContact O-N 3.4Å
321G96.6Very high97Very high43 Ų4342.9 Ų42.944%0.44325%0.246SC..THydrogen-bonded Turntrans88.31.9-177.700000115.2V315 G319V315-G321 WeakPolarHBondContact O-CA 3.07Å; V315-G321 PolarHBondContact O-N 3.34Å; G319-G321 VanDerWaalsContact C-N 3.26Å; G319-G321 PolarHBondContact O-N 2.81Å
322N98Very high96.9Very high13 Ų1343.4 Ų43.47%0.0725%0.248CC..SBendtrans-116.7155.8179.5-62.4-71.6000112.6Q187 T279 V315 G319Q187-N322 PolarHBondContact OE1-ND2 2.99Å; T279-N322 HydrophobicContact CG2-CB 4.44Å; T279-N322 WeakPolarHBondContact CG2-OD1 3.49Å; V315-N322 WeakPolarHBondContact CG2-O 3.31Å; G319-N322 WeakPolarHBondContact O-CB 3.38Å; G319-N322 PolarHBondContact O-N 2.83Å
323L98.5Very high96.7Very high15 Ų1544 Ų448%0.07925%0.254CS..PPolyproline II helixtrans-66.2160.4171-64.7173.7000111.2R184 I281 V285 F289 V311 V315 A387 A388R184-L323 PolarHBondContact NH2-O 3.28Å; I281-L323 HydrophobicContact CG1-CG 4.28Å; I281-L323 HydrophobicContact CG2-CD1 4.33Å; I281-L323 HydrophobicContact CG2-CD2 4.4Å; I281-L323 HydrophobicContact CG2-CG 4.37Å; V285-L323 HydrophobicContact CG1-CD2 4.29Å; F289-L323 HydrophobicContact CE2-CD2 4.16Å; F289-L323 HydrophobicContact CZ-CD2 3.87Å; V311-L323 HydrophobicContact CG1-CD2 3.88Å; V315-L323 HydrophobicContact CG2-CD2 3.88Å; L323-A387 HydrophobicContact CD1-CB 4.47Å; L323-A387 HydrophobicContact CD2-CB 4.33Å; L323-A388 HydrophobicContact CD1-CB 3.91Å
324P98.5Very high96.5Very high4 Ų442.6 Ų42.63%0.02625%0.251CS..PPolyproline II helixtrans-50.8143.8169.4-28.736.4000112.3R184 V311 F314 R326 D353 V357 C384R184-P324 PolarHBondContact NH2-O 3.39Å; V311-P324 HydrophobicContact CG1-CG 4.31Å; F314-P324 HydrophobicContact CD1-CG 3.66Å; F314-P324 HydrophobicContact CE1-CB 4.14Å; F314-P324 HydrophobicContact CE1-CG 3.67Å; F314-P324 HydrophobicContact CG-CG 4.33Å; F314-P324 HydrophobicContact CZ-CB 4.46Å; F314-P324 HydrophobicContact CZ-CG 4.31Å; P324-R326 PolarHBondContact O-N 3.36Å; P324-D353 HydrophobicContact CB-CB 3.91Å; P324-V357 HydrophobicContact CG-CG2 3.82Å; P324-C384 HydrophobicContact CB-CB 4.16Å; P324-C384 HydrophobicContact CG-CB 4.45Å
325V98.1Very high96.3Very high3 Ų345.4 Ų45.42%0.01827%0.266CS..PPolyproline II helixtrans-63.2132.6175.8173.70000110.2D182 R184 F189 G327 Y346 K349 A350 D353D182-V325 WeakPolarHBondContact OD2-CA 3.47Å; R184-V325 HydrophobicContact CG-CG2 4.36Å; F189-V325 HydrophobicContact CD1-CG2 4.34Å; F189-V325 HydrophobicContact CE1-CG2 4.38Å; V325-G327 VanDerWaalsContact C-N 3.29Å; V325-G327 PolarHBondContact O-N 3.01Å; V325-Y346 HydrophobicContact CG1-CD1 4.08Å; V325-K349 HydrophobicContact CB-CG 4Å; V325-K349 HydrophobicContact CG1-CG 4.37Å; V325-K349 HydrophobicContact CG2-CG 3.7Å; V325-A350 WeakPolarHBondContact O-CB 3.46Å; V325-D353 WeakPolarHBondContact CG2-OD2 3.44Å; V325-D353 PolarHBondContact N-OD2 2.68Å
326R96.7Very high96.1Very high37 Ų3749 Ų4914%0.1429%0.292CS..  trans-61.7-35.8-178.5-169.1-177-57.51598.4113.2L180 E181 D182 P324 T328 K385 F389L180-R326 PolarHBondContact O-NH1 2.87Å; L180-R326 PolarHBondContact O-NH2 3Å; E181-R326 IonicContact OE2-NH1 3.75Å; E181-R326 PolarHBondContact OE2-NH1 2.9Å; D182-R326 HydrophobicContact CB-CB 3.9Å; D182-R326 PolarHBondContact OD2-N 3.17Å; P324-R326 PolarHBondContact O-N 3.36Å; R326-T328 WeakPolarHBondContact CD-OG1 3.36Å; R326-K385 HydrophobicContact CG-CG 4.39Å; R326-F389 VanDerWaalsContact CZ-CZ 3.47Å; R326-F389 VanDerWaalsContact NH2-CZ 3.28Å
327G95.6Very high96.1Very high11 Ų1146.6 Ų46.611%0.11328%0.281CS..  trans86.84.9176.400000115.8V325 Y346 A350V325-G327 VanDerWaalsContact C-N 3.29Å; V325-G327 PolarHBondContact O-N 3.01Å; G327-Y346 WeakPolarHBondContact CA-O 3.36Å; G327-A350 VanDerWaalsContact CA-CB 3.47Å
328T94.9Very high96Very high57 Ų5745.2 Ų45.235%0.3527%0.268SS..  trans-119.1147.5176.557.70000110.5R326R326-T328 WeakPolarHBondContact CD-OG1 3.36Å
329I95.8Very high96Very high15 Ų1542.7 Ų42.78%0.07726%0.256CS..  trans-129.8151.917359176.9000108.7L183 I215 M332 F339 L342 Q343 Y346L183-I329 HydrophobicContact CD2-CG2 4.45Å; I215-I329 HydrophobicContact CD1-CB 4.24Å; I215-I329 HydrophobicContact CD1-CG2 4.24Å; I329-M332 HydrophobicContact CD1-CE 4.45Å; I329-F339 HydrophobicContact CD1-CE2 4.2Å; I329-F339 HydrophobicContact CG1-CE2 4.41Å; I329-L342 HydrophobicContact CD1-CB 4.32Å; I329-L342 HydrophobicContact CD1-CD2 4.01Å; I329-L342 HydrophobicContact CD1-CG 3.77Å; I329-Q343 HydrophobicContact CD1-CB 4Å; I329-Q343 HydrophobicContact CG1-CB 4.34Å; I329-Q343 HydrophobicContact CG1-CG 4.45Å; I329-Y346 HydrophobicContact CG2-CD1 3.92Å; I329-Y346 HydrophobicContact CG2-CD2 3.75Å; I329-Y346 HydrophobicContact CG2-CE1 4.09Å; I329-Y346 HydrophobicContact CG2-CE2 3.96Å; I329-Y346 HydrophobicContact CG2-CG 3.74Å
330P94.9Very high96Very high35 Ų3545.7 Ų45.723%0.22727%0.269CS..  trans-66.6162.5178.329.2-35.9000111.2E181 W214 M332 F339E181-P330 HydrophobicContact CG-CG 4.16Å; W214-P330 HydrophobicContact CZ2-CG 4.32Å; P330-M332 HydrophobicContact CG-CE 4.23Å; P330-M332 WeakPolarHBondContact O-CE 3.43Å; P330-F339 WeakPolarHBondContact O-CE2 3.32Å
331D94.6Very high96.2Very high132 Ų13243.9 Ų43.971%0.70625%0.251SS*.  trans-64.5153.8168-167.829.3000110.6
332M95.6Very high96.2Very high13 Ų1341.9 Ų41.96%0.06423%0.23CC..  trans-162.4159.9-179.757.4-164.277.200113.5P213 W214 I215 I329 P330 A334 F339 L342P213-M332 HydrophobicContact CB-CG 4.46Å; P213-M332 HydrophobicContact CB-SD 3.6Å; P213-M332 VanDerWaalsContact CB-SD 3.6Å; W214-M332 HydrophobicContact CG-SD 4.4Å; I215-M332 HydrophobicContact CD1-CE 3.45Å; I215-M332 VanDerWaalsContact CD1-CE 3.45Å; I215-M332 HydrophobicContact CD1-SD 4.25Å; I215-M332 HydrophobicContact CG1-CE 3.87Å; I215-M332 HydrophobicContact CG1-SD 4.17Å; I329-M332 HydrophobicContact CD1-CE 4.45Å; P330-M332 HydrophobicContact CG-CE 4.23Å; P330-M332 WeakPolarHBondContact O-CE 3.43Å; M332-A334 HydrophobicContact CG-CB 4.44Å; M332-A334 PolarHBondContact O-N 3.34Å; M332-F339 HydrophobicContact CE-CE2 4.17Å; M332-F339 HydrophobicContact CG-CD2 3.73Å; M332-F339 HydrophobicContact CG-CE2 3.9Å; M332-F339 HydrophobicContact SD-CD2 4.4Å; M332-L342 HydrophobicContact SD-CD2 4.48Å
333I93.9Very high96.2Very high64 Ų6444.7 Ų44.733%0.32824%0.243SC..SBendtrans-71.8104.2176.5-58.2172.9000109.5E263 N264 E267E263-I333 HydrophobicContact CB-CD1 3.44Å; E263-I333 VanDerWaalsContact CB-CD1 3.44Å; E263-I333 HydrophobicContact CB-CG2 4.5Å; E263-I333 HydrophobicContact CG-CD1 4.42Å; E263-I333 VanDerWaalsContact OE2-CD1 3.29Å; E263-I333 WeakPolarHBondContact OE2-CD1 3.19Å; N264-I333 HydrophobicContact CB-CB 4.39Å; N264-I333 HydrophobicContact CB-CG2 4.36Å; E267-I333 PolarHBondContact OE2-N 3.48Å
334A95.3Very high96.2Very high23 Ų2345.8 Ų45.819%0.1925%0.249CC..SBendtrans-156.9164.6179.200000112H211 P213 M332 F339H211-A334 WeakPolarHBondContact O-CA 3.43Å; P213-A334 HydrophobicContact CB-CB 4.26Å; P213-A334 HydrophobicContact CG-CB 3.73Å; M332-A334 HydrophobicContact CG-CB 4.44Å; M332-A334 PolarHBondContact O-N 3.34Å; A334-F339 HydrophobicContact CB-CB 4.21Å
335D95.3Very high96.2Very high62 Ų6246.8 Ų46.833%0.33225%0.254SS..  trans-63.6140.6165.7173.3-94000110H211 Q337 K338 F339H211-D335 HydrophobicContact CB-CB 4Å; H211-D335 PolarHBondContact O-N 2.91Å; D335-Q337 VanDerWaalsContact C-N 3.27Å; D335-Q337 PolarHBondContact O-N 2.93Å; D335-Q337 WeakPolarHBondContact OD1-CA 3.17Å; D335-Q337 VanDerWaalsContact OD1-CB 3.27Å; D335-Q337 WeakPolarHBondContact OD1-CB 3.26Å; D335-Q337 PolarHBondContact OD1-N 2.9Å; D335-K338 HydrophobicContact CB-CB 4.26Å; D335-K338 HydrophobicContact CB-CD 4.05Å; D335-K338 HydrophobicContact CB-CG 4.1Å; D335-K338 PolarHBondContact O-N 2.82Å; D335-K338 VanDerWaalsContact O-N 3.11Å; D335-K338 PolarHBondContact OD1-N 3.43Å; D335-F339 PolarHBondContact O-N 2.88Å
336S93.9Very high96.2Very high90 Ų9046.7 Ų46.763%0.62925%0.253SS*.Hα-helixtrans-56.7-39.3-175.8-54.20000112.7I340S336-I340 WeakPolarHBondContact O-CB 3.4Å; S336-I340 WeakPolarHBondContact O-CD1 3.4Å; S336-I340 WeakPolarHBondContact O-CG1 3.49Å; S336-I340 PolarHBondContact O-N 3.24Å
337Q95.9Very high96.3Very high110 Ų11051.1 Ų51.151%0.51427%0.27SS..Hα-helixtrans-71.9-40.9179.7-169.663.156.100111.2D335 I340 N341D335-Q337 VanDerWaalsContact C-N 3.27Å; D335-Q337 PolarHBondContact O-N 2.93Å; D335-Q337 WeakPolarHBondContact OD1-CA 3.17Å; D335-Q337 VanDerWaalsContact OD1-CB 3.27Å; D335-Q337 WeakPolarHBondContact OD1-CB 3.26Å; D335-Q337 PolarHBondContact OD1-N 2.9Å; Q337-I340 PolarHBondContact O-N 3.31Å; Q337-N341 PolarHBondContact NE2-OD1 2.97Å; Q337-N341 VanDerWaalsContact O-CB 3.3Å; Q337-N341 WeakPolarHBondContact O-CB 3.2Å; Q337-N341 PolarHBondContact O-N 2.91Å; Q337-N341 PolarHBondContact O-ND2 3.14Å; Q337-N341 PolarHBondContact O-OD1 3.46Å
338K95.8Very high96.4Very high23 Ų2355.6 Ų55.610%0.129%0.288CS..Hα-helixtrans-62.4-44.1176.4-67.2179.5-174.21670111.3Y199 D208 H211 P213 D335 L342Y199-K338 HydrophobicContact CE1-CD 4.24Å; D208-K338 VanDerWaalsContact CA-NZ 3.33Å; D208-K338 PolarHBondContact O-NZ 2.91Å; D208-K338 IonicContact OD1-NZ 3.51Å; D208-K338 PolarHBondContact OD1-NZ 2.9Å; H211-K338 WeakPolarHBondContact O-CD 3.45Å; P213-K338 HydrophobicContact CG-CB 4.08Å; D335-K338 HydrophobicContact CB-CB 4.26Å; D335-K338 HydrophobicContact CB-CD 4.05Å; D335-K338 HydrophobicContact CB-CG 4.1Å; D335-K338 PolarHBondContact O-N 2.82Å; D335-K338 VanDerWaalsContact O-N 3.11Å; D335-K338 PolarHBondContact OD1-N 3.43Å; K338-L342 WeakPolarHBondContact O-CB 3.37Å; K338-L342 PolarHBondContact O-N 3.03Å
339F96.9Very high96.6Very high34 Ų3454.6 Ų54.615%0.14928%0.279CS..Hα-helixtrans-63.5-49.3176.7-179.1-101.9000112.2I329 P330 M332 A334 D335 N341 L342 Q343I329-F339 HydrophobicContact CD1-CE2 4.2Å; I329-F339 HydrophobicContact CG1-CE2 4.41Å; P330-F339 WeakPolarHBondContact O-CE2 3.32Å; M332-F339 HydrophobicContact CE-CE2 4.17Å; M332-F339 HydrophobicContact CG-CD2 3.73Å; M332-F339 HydrophobicContact CG-CE2 3.9Å; M332-F339 HydrophobicContact SD-CD2 4.4Å; A334-F339 HydrophobicContact CB-CB 4.21Å; D335-F339 PolarHBondContact O-N 2.88Å; F339-N341 VanDerWaalsContact C-N 3.31Å; F339-N341 PolarHBondContact O-N 2.98Å; F339-L342 PolarHBondContact O-N 3.05Å; F339-Q343 WeakPolarHBondContact O-CB 3.38Å; F339-Q343 PolarHBondContact O-N 2.78Å
340I97.1Very high96.7Very high74 Ų7454.8 Ų54.838%0.37928%0.282SS..Hα-helixtrans-61.2-41179.2-70.8167.1000111.1S336 Q337 Q343 N344S336-I340 WeakPolarHBondContact O-CB 3.4Å; S336-I340 WeakPolarHBondContact O-CD1 3.4Å; S336-I340 WeakPolarHBondContact O-CG1 3.49Å; S336-I340 PolarHBondContact O-N 3.24Å; Q337-I340 PolarHBondContact O-N 3.31Å; I340-Q343 PolarHBondContact O-N 2.92Å; I340-N344 WeakPolarHBondContact O-CB 3.15Å; I340-N344 VanDerWaalsContact O-CG 3.24Å; I340-N344 PolarHBondContact O-N 3.45Å; I340-N344 PolarHBondContact O-ND2 3.24Å; I340-N344 VanDerWaalsContact O-ND2 3.17Å
341N97.4Very high96.9Very high64 Ų6457.1 Ų57.134%0.34229%0.292SS..Hα-helixtrans-62.1-47.3177-71.6-8.1000111.5Q337 F339 N344 I345Q337-N341 PolarHBondContact NE2-OD1 2.97Å; Q337-N341 VanDerWaalsContact O-CB 3.3Å; Q337-N341 WeakPolarHBondContact O-CB 3.2Å; Q337-N341 PolarHBondContact O-N 2.91Å; Q337-N341 PolarHBondContact O-ND2 3.14Å; Q337-N341 PolarHBondContact O-OD1 3.46Å; F339-N341 VanDerWaalsContact C-N 3.31Å; F339-N341 PolarHBondContact O-N 2.98Å; N341-N344 PolarHBondContact O-N 3.14Å; N341-I345 WeakPolarHBondContact O-CG1 3.37Å; N341-I345 PolarHBondContact O-N 3.32Å
342L97.9Very high97.1Very high0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-60.9-46.4176.5-179.159.7000111.4F192 P213 I215 I216 I329 M332 K338 F339 N344 I345 Y346F192-L342 HydrophobicContact CD2-CD1 4.19Å; F192-L342 HydrophobicContact CE2-CD1 3.79Å; P213-L342 HydrophobicContact CB-CD2 3.79Å; P213-L342 HydrophobicContact CG-CD2 4.23Å; I215-L342 HydrophobicContact CB-CD2 4.09Å; I215-L342 HydrophobicContact CD1-CD2 4.28Å; I215-L342 HydrophobicContact CG2-CD2 4.32Å; I216-L342 HydrophobicContact CD1-CD1 4.09Å; I216-L342 HydrophobicContact CG1-CD2 4.36Å; I329-L342 HydrophobicContact CD1-CB 4.32Å; I329-L342 HydrophobicContact CD1-CD2 4.01Å; I329-L342 HydrophobicContact CD1-CG 3.77Å; M332-L342 HydrophobicContact SD-CD2 4.48Å; K338-L342 WeakPolarHBondContact O-CB 3.37Å; K338-L342 PolarHBondContact O-N 3.03Å; F339-L342 PolarHBondContact O-N 3.05Å; L342-N344 VanDerWaalsContact C-N 3.32Å; L342-N344 PolarHBondContact O-N 3.47Å; L342-I345 WeakPolarHBondContact O-CB 3.43Å; L342-I345 PolarHBondContact O-N 2.78Å; L342-Y346 HydrophobicContact CD1-CD2 4.33Å; L342-Y346 HydrophobicContact CD1-CE2 3.84Å; L342-Y346 HydrophobicContact CG-CE2 4.43Å; L342-Y346 WeakPolarHBondContact O-CD2 3.42Å; L342-Y346 PolarHBondContact O-N 2.75Å
343Q97.9Very high97.2Very high72 Ų7254.7 Ų54.734%0.33628%0.277SS..Hα-helixtrans-59.4-42.3177.7-175.2-177.675.700112I329 F339 I340 I345 Y346 R347I329-Q343 HydrophobicContact CD1-CB 4Å; I329-Q343 HydrophobicContact CG1-CB 4.34Å; I329-Q343 HydrophobicContact CG1-CG 4.45Å; F339-Q343 WeakPolarHBondContact O-CB 3.38Å; F339-Q343 PolarHBondContact O-N 2.78Å; I340-Q343 PolarHBondContact O-N 2.92Å; Q343-I345 VanDerWaalsContact C-N 3.3Å; Q343-I345 PolarHBondContact O-N 3.03Å; Q343-Y346 PolarHBondContact O-N 3.2Å; Q343-R347 WeakPolarHBondContact O-CB 3.3Å; Q343-R347 PolarHBondContact O-N 3.27Å
344N98.2Very high97.4Very high38 Ų3851.8 Ų51.820%0.20326%0.263CS..Hα-helixtrans-62.9-35.1179.1-76.5-31.9000112.5I340 N341 L342 Y346 R347 E348I340-N344 WeakPolarHBondContact O-CB 3.15Å; I340-N344 VanDerWaalsContact O-CG 3.24Å; I340-N344 PolarHBondContact O-N 3.45Å; I340-N344 PolarHBondContact O-ND2 3.24Å; I340-N344 VanDerWaalsContact O-ND2 3.17Å; N341-N344 PolarHBondContact O-N 3.14Å; L342-N344 VanDerWaalsContact C-N 3.32Å; L342-N344 PolarHBondContact O-N 3.47Å; N344-Y346 PolarHBondContact O-N 2.89Å; N344-R347 PolarHBondContact O-N 3.28Å; N344-R347 VanDerWaalsContact OD1-CZ 3.29Å; N344-R347 PolarHBondContact OD1-NH2 2.88Å; N344-E348 WeakPolarHBondContact O-CB 3.38Å; N344-E348 VanDerWaalsContact O-CG 3.31Å; N344-E348 WeakPolarHBondContact O-CG 3.48Å; N344-E348 PolarHBondContact O-N 2.95Å
345I98.4Very high97.6Very high26 Ų2653.4 Ų53.413%0.13328%0.276CS..Hα-helixtrans-61.3-46177.4-70.5158.2000111.3F189 E191 F192 H195 N341 L342 Q343 K349F189-I345 HydrophobicContact CE2-CG2 3.56Å; F189-I345 HydrophobicContact CZ-CG2 3.89Å; E191-I345 HydrophobicContact CB-CG2 4.24Å; F192-I345 HydrophobicContact CB-CG2 4.23Å; H195-I345 HydrophobicContact CB-CD1 3.37Å; H195-I345 WeakPolarHBondContact CD2-CD1 3.3Å; H195-I345 VanDerWaalsContact ND1-CD1 3.34Å; H195-I345 WeakPolarHBondContact ND1-CD1 3.34Å; N341-I345 WeakPolarHBondContact O-CG1 3.37Å; N341-I345 PolarHBondContact O-N 3.32Å; L342-I345 WeakPolarHBondContact O-CB 3.43Å; L342-I345 PolarHBondContact O-N 2.78Å; Q343-I345 VanDerWaalsContact C-N 3.3Å; Q343-I345 PolarHBondContact O-N 3.03Å; I345-K349 WeakPolarHBondContact O-CB 3.24Å; I345-K349 PolarHBondContact O-N 3.26Å
346Y98.5Very high97.7Very high1 Ų151.3 Ų51.30%0.00427%0.267CS..Hα-helixtrans-66.4-41.8175.7-77.7-100.6000111.5L183 F189 F192 V325 G327 I329 L342 Q343 N344 K349 A350L183-Y346 PolarHBondContact O-OH 2.68Å; F189-Y346 HydrophobicContact CE1-CD1 4.32Å; F189-Y346 HydrophobicContact CE1-CE1 4.14Å; F189-Y346 HydrophobicContact CZ-CD1 4.34Å; F189-Y346 HydrophobicContact CZ-CE1 4.44Å; F189-Y346 HydrophobicContact CZ-CG 4.39Å; F192-Y346 HydrophobicContact CD2-CE2 4.17Å; F192-Y346 WeakPolarHBondContact CE1-OH 3.46Å; F192-Y346 HydrophobicContact CE2-CE2 4.15Å; F192-Y346 HydrophobicContact CG-CE2 4.49Å; F192-Y346 HydrophobicContact CZ-CE2 4.42Å; F192-Y346 WeakPolarHBondContact CZ-OH 3.37Å; V325-Y346 HydrophobicContact CG1-CD1 4.08Å; G327-Y346 WeakPolarHBondContact CA-O 3.36Å; I329-Y346 HydrophobicContact CG2-CD1 3.92Å; I329-Y346 HydrophobicContact CG2-CD2 3.75Å; I329-Y346 HydrophobicContact CG2-CE1 4.09Å; I329-Y346 HydrophobicContact CG2-CE2 3.96Å; I329-Y346 HydrophobicContact CG2-CG 3.74Å; L342-Y346 HydrophobicContact CD1-CD2 4.33Å; L342-Y346 HydrophobicContact CD1-CE2 3.84Å; L342-Y346 HydrophobicContact CG-CE2 4.43Å; L342-Y346 WeakPolarHBondContact O-CD2 3.42Å; L342-Y346 PolarHBondContact O-N 2.75Å; Q343-Y346 PolarHBondContact O-N 3.2Å; N344-Y346 PolarHBondContact O-N 2.89Å; Y346-K349 PolarHBondContact O-N 3.45Å; Y346-A350 WeakPolarHBondContact O-CB 3.44Å; Y346-A350 PolarHBondContact O-N 3.49Å
347R98.4Very high98Very high130 Ų13047 Ų4749%0.49124%0.237SC..Hα-helixtrans-61.8-46.1179.1-170.9-176.673.6-178.90.4111.9Q343 N344 A350 L351Q343-R347 WeakPolarHBondContact O-CB 3.3Å; Q343-R347 PolarHBondContact O-N 3.27Å; N344-R347 PolarHBondContact O-N 3.28Å; N344-R347 VanDerWaalsContact OD1-CZ 3.29Å; N344-R347 PolarHBondContact OD1-NH2 2.88Å; R347-A350 PolarHBondContact O-N 2.83Å; R347-L351 WeakPolarHBondContact O-CG 3.26Å; R347-L351 PolarHBondContact O-N 3.34Å
348E98.4Very high98.1Very high104 Ų10442.7 Ų42.749%0.48622%0.218SC..Hα-helixtrans-65.1-43.1178.5-74.6175.4-17200111N344 A350 L351 Q352N344-E348 WeakPolarHBondContact O-CB 3.38Å; N344-E348 VanDerWaalsContact O-CG 3.31Å; N344-E348 WeakPolarHBondContact O-CG 3.48Å; N344-E348 PolarHBondContact O-N 2.95Å; E348-A350 PolarHBondContact O-N 3.47Å; E348-L351 PolarHBondContact O-N 3.19Å; E348-Q352 WeakPolarHBondContact O-CG 3.4Å; E348-Q352 PolarHBondContact O-N 3.49Å
349K98.4Very high98.2Very high37 Ų3747.5 Ų47.516%0.16124%0.239CC..Hα-helixtrans-60.5-43.6175.1-178.655178.5157.50112.3F189 V325 I345 Y346 L351 Q352 D353F189-K349 HydrophobicContact CD1-CG 4.16Å; F189-K349 HydrophobicContact CD2-CB 4.1Å; F189-K349 HydrophobicContact CD2-CD 4.08Å; F189-K349 HydrophobicContact CD2-CG 3.79Å; F189-K349 HydrophobicContact CE1-CG 4.18Å; F189-K349 HydrophobicContact CE2-CB 3.63Å; F189-K349 HydrophobicContact CE2-CD 4.48Å; F189-K349 HydrophobicContact CE2-CG 3.78Å; F189-K349 HydrophobicContact CG-CD 4.28Å; F189-K349 HydrophobicContact CG-CG 3.97Å; F189-K349 HydrophobicContact CZ-CB 3.87Å; F189-K349 HydrophobicContact CZ-CG 3.99Å; V325-K349 HydrophobicContact CB-CG 4Å; V325-K349 HydrophobicContact CG1-CG 4.37Å; V325-K349 HydrophobicContact CG2-CG 3.7Å; I345-K349 WeakPolarHBondContact O-CB 3.24Å; I345-K349 PolarHBondContact O-N 3.26Å; Y346-K349 PolarHBondContact O-N 3.45Å; K349-L351 VanDerWaalsContact C-N 3.32Å; K349-L351 PolarHBondContact O-N 2.92Å; K349-Q352 WeakPolarHBondContact O-CB 3.45Å; K349-Q352 PolarHBondContact O-N 3.08Å; K349-D353 WeakPolarHBondContact CE-OD1 3.37Å; K349-D353 IonicContact NZ-OD1 3.1Å; K349-D353 PolarHBondContact NZ-OD1 2.85Å; K349-D353 PolarHBondContact O-N 3.05Å
350A98.4Very high98.2Very high18 Ų1847.3 Ų47.315%0.14924%0.239CC..Hα-helixtrans-62.5-37.3175.900000112.9V325 G327 Y346 R347 E348 A354V325-A350 WeakPolarHBondContact O-CB 3.46Å; G327-A350 VanDerWaalsContact CA-CB 3.47Å; Y346-A350 WeakPolarHBondContact O-CB 3.44Å; Y346-A350 PolarHBondContact O-N 3.49Å; R347-A350 PolarHBondContact O-N 2.83Å; E348-A350 PolarHBondContact O-N 3.47Å; A350-A354 VanDerWaalsContact O-CB 3.29Å; A350-A354 WeakPolarHBondContact O-CB 3.43Å; A350-A354 PolarHBondContact O-N 3.09Å
351L98.3Very high98.3Very high85 Ų8543.9 Ų43.945%0.44522%0.221SC..Hα-helixtrans-66.4-40.4174.5-72172.2000112R347 E348 K349 A355R347-L351 WeakPolarHBondContact O-CG 3.26Å; R347-L351 PolarHBondContact O-N 3.34Å; E348-L351 PolarHBondContact O-N 3.19Å; K349-L351 VanDerWaalsContact C-N 3.32Å; K349-L351 PolarHBondContact O-N 2.92Å; L351-A355 WeakPolarHBondContact O-CB 3.29Å; L351-A355 PolarHBondContact O-N 2.86Å
352Q98.3Very high98.3Very high88 Ų8844.5 Ų44.541%0.41122%0.222SC..Hα-helixtrans-63.8-46.6175.2-67.8171.49.900111.4E348 K349 A354 A355 A356E348-Q352 WeakPolarHBondContact O-CG 3.4Å; E348-Q352 PolarHBondContact O-N 3.49Å; K349-Q352 WeakPolarHBondContact O-CB 3.45Å; K349-Q352 PolarHBondContact O-N 3.08Å; Q352-A354 VanDerWaalsContact C-N 3.35Å; Q352-A354 PolarHBondContact O-N 3.47Å; Q352-A355 WeakPolarHBondContact O-CB 3.29Å; Q352-A355 PolarHBondContact O-N 3.47Å; Q352-A356 PolarHBondContact O-N 2.64Å
353D98.6Very high98.2Very high5 Ų548.2 Ų48.23%0.02724%0.242CC..Hα-helixtrans-63.2-42.4178.6-68.8-8.7000110.9F314 P324 V325 K349 A355 A356 V357F314-D353 HydrophobicContact CE2-CB 3.85Å; F314-D353 HydrophobicContact CZ-CB 3.71Å; P324-D353 HydrophobicContact CB-CB 3.91Å; V325-D353 WeakPolarHBondContact CG2-OD2 3.44Å; V325-D353 PolarHBondContact N-OD2 2.68Å; K349-D353 WeakPolarHBondContact CE-OD1 3.37Å; K349-D353 IonicContact NZ-OD1 3.1Å; K349-D353 PolarHBondContact NZ-OD1 2.85Å; K349-D353 PolarHBondContact O-N 3.05Å; D353-A355 VanDerWaalsContact C-N 3.32Å; D353-A355 PolarHBondContact O-N 3.43Å; D353-A356 WeakPolarHBondContact O-CB 3.35Å; D353-A356 PolarHBondContact O-N 2.79Å; D353-V357 WeakPolarHBondContact O-CG2 3Å; D353-V357 PolarHBondContact O-N 3.04Å
354A98.6Very high98.2Very high4 Ų446 Ų463%0.03323%0.232CC..Hα-helixtrans-63.4-35.3175.400000112.9A350 Q352 V357 T358 K381 C384A350-A354 VanDerWaalsContact O-CB 3.29Å; A350-A354 WeakPolarHBondContact O-CB 3.43Å; A350-A354 PolarHBondContact O-N 3.09Å; Q352-A354 VanDerWaalsContact C-N 3.35Å; Q352-A354 PolarHBondContact O-N 3.47Å; A354-V357 PolarHBondContact O-N 3.14Å; A354-T358 WeakPolarHBondContact O-CB 3.45Å; A354-T358 PolarHBondContact O-N 2.84Å; A354-T358 PolarHBondContact O-OG1 2.83Å; A354-K381 HydrophobicContact CB-CG 4.03Å; A354-C384 HydrophobicContact CB-CB 4.28Å
355A98.4Very high98.1Very high56 Ų5644.3 Ų44.346%0.46322%0.223SC..Hα-helixtrans-66.8-38.6174.400000112L351 Q352 D353 T358 K359L351-A355 WeakPolarHBondContact O-CB 3.29Å; L351-A355 PolarHBondContact O-N 2.86Å; Q352-A355 WeakPolarHBondContact O-CB 3.29Å; Q352-A355 PolarHBondContact O-N 3.47Å; D353-A355 VanDerWaalsContact C-N 3.32Å; D353-A355 PolarHBondContact O-N 3.43Å; A355-T358 WeakPolarHBondContact O-CB 3.41Å; A355-T358 PolarHBondContact O-N 2.9Å; A355-K359 PolarHBondContact O-N 2.66Å; A355-K359 VanDerWaalsContact O-N 3.12Å
356A98.5Very high98Very high18 Ų1848.9 Ų48.915%0.14924%0.244CC..Hα-helixtrans-63.4-46.9173.500000111.5F314 E318 Q352 D353 T358 K359 H360F314-A356 HydrophobicContact CD2-CB 3.81Å; F314-A356 HydrophobicContact CE2-CB 4.02Å; E318-A356 HydrophobicContact CG-CB 4.14Å; Q352-A356 PolarHBondContact O-N 2.64Å; D353-A356 WeakPolarHBondContact O-CB 3.35Å; D353-A356 PolarHBondContact O-N 2.79Å; A356-T358 VanDerWaalsContact C-N 3.29Å; A356-T358 PolarHBondContact O-N 3.47Å; A356-K359 WeakPolarHBondContact O-CB 3.5Å; A356-K359 PolarHBondContact O-N 2.75Å; A356-H360 PolarHBondContact O-CD2 3.46Å; A356-H360 PolarHBondContact O-N 3.31Å
357V98.6Very high97.8Very high1 Ų153 Ų531%0.00627%0.273CS..Hα-helixtrans-59.1-41.2174.1175.60000111.3V311 F314 P324 D353 A354 K359 H360 V361 I380V311-V357 HydrophobicContact CG2-CG1 3.83Å; V311-V357 HydrophobicContact CG2-CG2 4.35Å; F314-V357 HydrophobicContact CB-CG2 3.64Å; F314-V357 HydrophobicContact CD1-CG2 4.34Å; F314-V357 HydrophobicContact CD2-CG2 3.87Å; F314-V357 HydrophobicContact CG-CG2 3.68Å; P324-V357 HydrophobicContact CG-CG2 3.82Å; D353-V357 WeakPolarHBondContact O-CG2 3Å; D353-V357 PolarHBondContact O-N 3.04Å; A354-V357 PolarHBondContact O-N 3.14Å; V357-K359 VanDerWaalsContact C-N 3.33Å; V357-K359 PolarHBondContact O-N 2.93Å; V357-H360 WeakPolarHBondContact O-CB 3.45Å; V357-H360 PolarHBondContact O-N 3.07Å; V357-H360 VanDerWaalsContact O-N 3.13Å; V357-V361 HydrophobicContact CG1-CG2 4.31Å; V357-V361 WeakPolarHBondContact O-CG2 3.08Å; V357-V361 PolarHBondContact O-N 3.47Å; V357-I380 HydrophobicContact CB-CG2 4.39Å; V357-I380 HydrophobicContact CG1-CG2 3.87Å
358T98.4Very high97.7Very high18 Ų1848.2 Ų48.211%0.1126%0.258CS..Hα-helixtrans-57.5-46.6177.8-600000111.1A354 A355 A356 H360 V361 E362 I380A354-T358 WeakPolarHBondContact O-CB 3.45Å; A354-T358 PolarHBondContact O-N 2.84Å; A354-T358 PolarHBondContact O-OG1 2.83Å; A355-T358 WeakPolarHBondContact O-CB 3.41Å; A355-T358 PolarHBondContact O-N 2.9Å; A356-T358 VanDerWaalsContact C-N 3.29Å; A356-T358 PolarHBondContact O-N 3.47Å; T358-H360 VanDerWaalsContact C-N 3.31Å; T358-H360 PolarHBondContact O-N 3.4Å; T358-V361 PolarHBondContact O-N 2.99Å; T358-V361 VanDerWaalsContact O-N 3.16Å; T358-E362 HydrophobicContact CG2-CG 4.35Å; T358-E362 WeakPolarHBondContact O-CG 3.46Å; T358-E362 PolarHBondContact O-N 2.75Å; T358-I380 HydrophobicContact CG2-CD1 4.05Å
359K97.9Very high97.5Very high125 Ų12546.6 Ų46.654%0.54327%0.269SS..Hα-helixtrans-59.3-41.1176.5-174-177.4178-173.40112.3A355 A356 V357 N363A355-K359 PolarHBondContact O-N 2.66Å; A355-K359 VanDerWaalsContact O-N 3.12Å; A356-K359 WeakPolarHBondContact O-CB 3.5Å; A356-K359 PolarHBondContact O-N 2.75Å; V357-K359 VanDerWaalsContact C-N 3.33Å; V357-K359 PolarHBondContact O-N 2.93Å; K359-N363 WeakPolarHBondContact O-CB 3.21Å; K359-N363 PolarHBondContact O-N 3.46Å; K359-N363 PolarHBondContact O-ND2 2.89Å; K359-N363 VanDerWaalsContact O-ND2 3.1Å
360H98.2Very high97.2Very high30 Ų3047.3 Ų47.314%0.13927%0.272CS..Hα-helixtrans-63.9-44.2175.5-68.2-56.5000111.7E313 S317 E318 A356 V357 T358 N363 L364E313-H360 HydrophobicContact CB-CB 4.18Å; S317-H360 PolarHBondContact OG-NE2 3.41Å; E318-H360 IonicContact OE1-CE1 3.95Å; E318-H360 IonicContact OE1-NE2 2.64Å; E318-H360 PolarHBondContact OE1-NE2 2.67Å; E318-H360 IonicContact OE2-CD2 3.78Å; E318-H360 IonicContact OE2-CE1 3.25Å; E318-H360 IonicContact OE2-NE2 3.84Å; E318-H360 PolarHBondContact OE2-NE2 2.89Å; A356-H360 PolarHBondContact O-CD2 3.46Å; A356-H360 PolarHBondContact O-N 3.31Å; V357-H360 WeakPolarHBondContact O-CB 3.45Å; V357-H360 PolarHBondContact O-N 3.07Å; V357-H360 VanDerWaalsContact O-N 3.13Å; T358-H360 VanDerWaalsContact C-N 3.31Å; T358-H360 PolarHBondContact O-N 3.4Å; H360-N363 PolarHBondContact O-N 3.45Å; H360-L364 WeakPolarHBondContact O-CD1 3.34Å; H360-L364 VanDerWaalsContact O-CG 3.23Å; H360-L364 WeakPolarHBondContact O-CG 3.33Å; H360-L364 PolarHBondContact O-N 3.17Å
361V98.2Very high96.9Very high1 Ų150.5 Ų50.51%0.00629%0.292CS..Hα-helixtrans-61.4-46.1176.7171.30000111.6V306 V357 T358 N363 L364 L365 I375 I380V306-V361 HydrophobicContact CG1-CG1 4.18Å; V357-V361 HydrophobicContact CG1-CG2 4.31Å; V357-V361 WeakPolarHBondContact O-CG2 3.08Å; V357-V361 PolarHBondContact O-N 3.47Å; T358-V361 PolarHBondContact O-N 2.99Å; T358-V361 VanDerWaalsContact O-N 3.16Å; V361-N363 PolarHBondContact O-N 3.5Å; V361-L364 WeakPolarHBondContact O-CB 3.39Å; V361-L364 PolarHBondContact O-N 3.43Å; V361-L365 HydrophobicContact CG1-CD1 3.95Å; V361-L365 HydrophobicContact CG1-CG 4.35Å; V361-L365 WeakPolarHBondContact O-CG 3.24Å; V361-L365 PolarHBondContact O-N 2.99Å; V361-I375 HydrophobicContact CG1-CD1 4.04Å; V361-I380 HydrophobicContact CB-CD1 4.1Å; V361-I380 HydrophobicContact CG1-CD1 3.91Å; V361-I380 HydrophobicContact CG2-CD1 4.4Å
362E97.3Very high96.5Very high77 Ų7747.6 Ų47.636%0.3628%0.28SS..Hα-helixtrans-60.9-43.9177.9-71.6175.9168.200112T358 L364 L365 Q366 A372T358-E362 HydrophobicContact CG2-CG 4.35Å; T358-E362 WeakPolarHBondContact O-CG 3.46Å; T358-E362 PolarHBondContact O-N 2.75Å; E362-L364 VanDerWaalsContact C-N 3.33Å; E362-L364 PolarHBondContact O-N 3.17Å; E362-L365 PolarHBondContact O-N 2.97Å; E362-Q366 WeakPolarHBondContact O-CB 3.41Å; E362-Q366 VanDerWaalsContact O-CG 3.27Å; E362-Q366 WeakPolarHBondContact O-CG 3.44Å; E362-Q366 PolarHBondContact O-N 3.47Å; E362-A372 HydrophobicContact CG-CB 4.27Å
363N96.7Very high96Very high78 Ų7851.1 Ų51.142%0.41730%0.296SS..Hα-helixtrans-62.1-41.6176-69-26.5000111.6K359 H360 V361 Q366 S367K359-N363 WeakPolarHBondContact O-CB 3.21Å; K359-N363 PolarHBondContact O-N 3.46Å; K359-N363 PolarHBondContact O-ND2 2.89Å; K359-N363 VanDerWaalsContact O-ND2 3.1Å; H360-N363 PolarHBondContact O-N 3.45Å; V361-N363 PolarHBondContact O-N 3.5Å; N363-Q366 PolarHBondContact O-N 3.2Å; N363-S367 WeakPolarHBondContact O-CB 3.38Å; N363-S367 PolarHBondContact O-N 3.37Å
364L96.9Very high95.7Very high26 Ų2653.6 Ų53.614%0.13631%0.314CS..Hα-helixtrans-62.9-47.7176.4-72.2163.7000111.1V306 R309 H360 V361 E362 Q366 S367 V368V306-L364 HydrophobicContact CG1-CB 4.25Å; R309-L364 HydrophobicContact CB-CD1 3.94Å; R309-L364 HydrophobicContact CG-CD1 3.67Å; R309-L364 HydrophobicContact CG-CD2 3.92Å; R309-L364 HydrophobicContact CG-CG 4.48Å; H360-L364 WeakPolarHBondContact O-CD1 3.34Å; H360-L364 VanDerWaalsContact O-CG 3.23Å; H360-L364 WeakPolarHBondContact O-CG 3.33Å; H360-L364 PolarHBondContact O-N 3.17Å; V361-L364 WeakPolarHBondContact O-CB 3.39Å; V361-L364 PolarHBondContact O-N 3.43Å; E362-L364 VanDerWaalsContact C-N 3.33Å; E362-L364 PolarHBondContact O-N 3.17Å; L364-Q366 VanDerWaalsContact C-N 3.34Å; L364-Q366 PolarHBondContact O-N 2.99Å; L364-S367 WeakPolarHBondContact O-CB 3.21Å; L364-S367 PolarHBondContact O-N 3.49Å; L364-S367 VanDerWaalsContact O-N 3.14Å; L364-S367 PolarHBondContact O-OG 2.68Å; L364-V368 PolarHBondContact O-N 3.39Å
365L96.6Very high95.6Very high2 Ų253.9 Ų53.91%0.0132%0.315CS..Hα-helixtrans-58.4-46.1177.4-70.6170.7000111.4V306 V361 E362 S367 V368 G369 K370 S374 I375V306-L365 HydrophobicContact CG1-CD2 3.93Å; V306-L365 HydrophobicContact CG1-CG 4.12Å; V361-L365 HydrophobicContact CG1-CD1 3.95Å; V361-L365 HydrophobicContact CG1-CG 4.35Å; V361-L365 WeakPolarHBondContact O-CG 3.24Å; V361-L365 PolarHBondContact O-N 2.99Å; E362-L365 PolarHBondContact O-N 2.97Å; L365-S367 VanDerWaalsContact C-N 3.32Å; L365-S367 PolarHBondContact O-N 2.85Å; L365-V368 CarbonylContact O-C 3.59Å; L365-V368 WeakPolarHBondContact O-CG2 3.2Å; L365-V368 PolarHBondContact O-N 3.41Å; L365-G369 PolarHBondContact O-N 3.15Å; L365-G369 VanDerWaalsContact O-N 3.12Å; L365-K370 CarbonylContact C-O 3.5Å; L365-K370 HydrophobicContact CB-CB 4.14Å; L365-K370 HydrophobicContact CD2-CB 3.73Å; L365-K370 HydrophobicContact CD2-CD 3.81Å; L365-K370 HydrophobicContact CD2-CG 4.4Å; L365-K370 PolarHBondContact O-N 2.75Å; L365-S374 WeakPolarHBondContact CD2-OG 3.4Å; L365-I375 HydrophobicContact CD1-CD1 4.26Å; L365-I375 HydrophobicContact CD1-CG1 4.25Å; L365-I375 HydrophobicContact CD2-CD1 4.22Å
366Q95.8Very high95.4Very high122 Ų12253.5 Ų53.557%0.5731%0.309SS*.Hα-helixtrans-59.2-42.4175.6-72173.420.800111.8E362 N363 L364 V368 G369E362-Q366 WeakPolarHBondContact O-CB 3.41Å; E362-Q366 VanDerWaalsContact O-CG 3.27Å; E362-Q366 WeakPolarHBondContact O-CG 3.44Å; E362-Q366 PolarHBondContact O-N 3.47Å; N363-Q366 PolarHBondContact O-N 3.2Å; L364-Q366 VanDerWaalsContact C-N 3.34Å; L364-Q366 PolarHBondContact O-N 2.99Å; Q366-V368 PolarHBondContact O-N 2.82Å; Q366-G369 PolarHBondContact O-N 2.91Å; Q366-G369 VanDerWaalsContact O-N 3.14Å
367S95.5Very high95.2Very high89 Ų8957.8 Ų57.862%0.62233%0.326SS*.Hα-helixtrans-63-28.1-18078.80000114N363 L364 L365N363-S367 WeakPolarHBondContact O-CB 3.38Å; N363-S367 PolarHBondContact O-N 3.37Å; L364-S367 WeakPolarHBondContact O-CB 3.21Å; L364-S367 PolarHBondContact O-N 3.49Å; L364-S367 VanDerWaalsContact O-N 3.14Å; L364-S367 PolarHBondContact O-OG 2.68Å; L365-S367 VanDerWaalsContact C-N 3.32Å; L365-S367 PolarHBondContact O-N 2.85Å
368V95.4Very high95Very high28 Ų2865.6 Ų65.617%0.1736%0.355CS..THydrogen-bonded Turntrans-102.79.7178-58.30000113.3I297 L364 L365 Q366 K370I297-V368 HydrophobicContact CG2-CG1 4.01Å; L364-V368 PolarHBondContact O-N 3.39Å; L365-V368 CarbonylContact O-C 3.59Å; L365-V368 WeakPolarHBondContact O-CG2 3.2Å; L365-V368 PolarHBondContact O-N 3.41Å; Q366-V368 PolarHBondContact O-N 2.82Å; V368-K370 VanDerWaalsContact C-N 3.35Å; V368-K370 HydrophobicContact CG2-CB 4.37Å; V368-K370 HydrophobicContact CG2-CD 4.36Å; V368-K370 HydrophobicContact CG2-CG 4.14Å; V368-K370 PolarHBondContact O-N 3.14Å
369G93.6Very high94.9Very high70 Ų7068.1 Ų68.172%0.72237%0.368SS*.THydrogen-bonded Turntrans72.422.5176.700000114.8L365 Q366L365-G369 PolarHBondContact O-N 3.15Å; L365-G369 VanDerWaalsContact O-N 3.12Å; Q366-G369 PolarHBondContact O-N 2.91Å; Q366-G369 VanDerWaalsContact O-N 3.14Å
370K93.9Very high94.9Very high53 Ų5362.3 Ų62.323%0.2334%0.343CS..  trans-92.3145.5171.9-74.4-172.5178.7-175.60111.1A299 S301 L365 V368A299-K370 WeakPolarHBondContact O-CE 3.39Å; A299-K370 PolarHBondContact O-NZ 3.28Å; S301-K370 PolarHBondContact O-NZ 3.2Å; L365-K370 CarbonylContact C-O 3.5Å; L365-K370 HydrophobicContact CB-CB 4.14Å; L365-K370 HydrophobicContact CD2-CB 3.73Å; L365-K370 HydrophobicContact CD2-CD 3.81Å; L365-K370 HydrophobicContact CD2-CG 4.4Å; L365-K370 PolarHBondContact O-N 2.75Å; V368-K370 VanDerWaalsContact C-N 3.35Å; V368-K370 HydrophobicContact CG2-CB 4.37Å; V368-K370 HydrophobicContact CG2-CD 4.36Å; V368-K370 HydrophobicContact CG2-CG 4.14Å; V368-K370 PolarHBondContact O-N 3.14Å
371P92.3Very high94.9Very high85 Ų8564.7 Ų64.755%0.55235%0.353SS*.  trans-59.2141.9171.5-21.232.5000111.5E373 S374P371-E373 PolarHBondContact O-N 3.27Å; P371-S374 VanDerWaalsContact O-CB 3.27Å; P371-S374 WeakPolarHBondContact O-CB 3.27Å; P371-S374 PolarHBondContact O-N 2.89Å; P371-S374 VanDerWaalsContact O-N 3.14Å; P371-S374 PolarHBondContact O-OG 3.46Å
372A88.1Confident94.8Very high24 Ų2466.8 Ų66.820%0.19836%0.363CS..G310 helixtrans-61.3-31.2177.900000111.7E362 S374E362-A372 HydrophobicContact CG-CB 4.27Å; A372-S374 PolarHBondContact O-N 2.88Å
373E88.6Confident94.8Very high161 Ų16163.1 Ų63.175%0.75235%0.347SS*.G310 helixtrans-79.71.9-178.9-51.880.5-17700113.4P371 I375P371-E373 PolarHBondContact O-N 3.27Å; E373-I375 PolarHBondContact O-N 2.87Å
374S92.1Very high94.9Very high57 Ų5759.7 Ų59.740%0.39933%0.329SS..G310 helixtrans-69.9-17.8-179.460.70000113.9L365 P371 A372L365-S374 WeakPolarHBondContact CD2-OG 3.4Å; P371-S374 VanDerWaalsContact O-CB 3.27Å; P371-S374 WeakPolarHBondContact O-CB 3.27Å; P371-S374 PolarHBondContact O-N 2.89Å; P371-S374 VanDerWaalsContact O-N 3.14Å; P371-S374 PolarHBondContact O-OG 3.46Å; A372-S374 PolarHBondContact O-N 2.88Å
375I95.7Very high94.9Very high10 Ų1063.7 Ų63.75%0.05135%0.345CS..SBendtrans-126.3126173.5-55.9179.6000107.1V306 M307 V361 L365 E373 D379 I380V306-I375 HydrophobicContact CB-CD1 4.02Å; V306-I375 HydrophobicContact CG1-CD1 4.06Å; M307-I375 HydrophobicContact CG-CD1 4.16Å; M307-I375 HydrophobicContact CG-CG2 4.02Å; M307-I375 HydrophobicContact SD-CG2 3.73Å; V361-I375 HydrophobicContact CG1-CD1 4.04Å; L365-I375 HydrophobicContact CD1-CD1 4.26Å; L365-I375 HydrophobicContact CD1-CG1 4.25Å; L365-I375 HydrophobicContact CD2-CD1 4.22Å; E373-I375 PolarHBondContact O-N 2.87Å; I375-D379 HydrophobicContact CG2-CB 4.27Å; I375-I380 HydrophobicContact CG2-CD1 4.22Å; I375-I380 HydrophobicContact CG2-CG1 3.81Å
376S95.5Very high95Very high49 Ų4964.4 Ų64.434%0.34335%0.349SS..  trans-76.7149.8-175.980.30000111.8R378 D379 I380S376-R378 PolarHBondContact O-N 3.16Å; S376-D379 WeakPolarHBondContact CB-OD2 3.35Å; S376-D379 PolarHBondContact N-OD2 3.07Å; S376-D379 PolarHBondContact O-N 2.81Å; S376-D379 PolarHBondContact OG-N 3.37Å; S376-D379 VanDerWaalsContact OG-N 3.13Å; S376-D379 PolarHBondContact OG-OD2 3.33Å; S376-I380 PolarHBondContact O-N 2.83Å; S376-I380 VanDerWaalsContact O-N 3.11Å
377E94.5Very high95.1Very high108 Ų10858.7 Ų58.751%0.50532%0.322SS..Hα-helixtrans-59.1-29173.4-165.7-168.6158.600111.6K381E377-K381 HydrophobicContact CG-CD 4.47Å; E377-K381 WeakPolarHBondContact O-CB 3.35Å; E377-K381 VanDerWaalsContact O-CG 3.31Å; E377-K381 WeakPolarHBondContact O-CG 3.4Å; E377-K381 PolarHBondContact O-N 3.02Å; E377-K381 WeakPolarHBondContact OE1-CE 3.12Å; E377-K381 IonicContact OE1-NZ 3.71Å; E377-K381 PolarHBondContact OE1-NZ 3.22Å
378R94.8Very high95.2Very high165 Ų16555.8 Ų55.862%0.62330%0.303SS*.Hα-helixtrans-62.1-45.6173.6-180-176.4175.2-178.1-2.6110.9S376 K381 L382S376-R378 PolarHBondContact O-N 3.16Å; R378-K381 PolarHBondContact O-N 3.3Å; R378-L382 WeakPolarHBondContact O-CB 3.24Å; R378-L382 PolarHBondContact O-N 3.16Å
379D95.8Very high95.3Very high70 Ų7056.2 Ų56.237%0.37430%0.303SS..Hα-helixtrans-67.6-40.7-179.6-57.7-37.2000111M307 I375 S376 L382 F383M307-D379 HydrophobicContact SD-CB 4.29Å; I375-D379 HydrophobicContact CG2-CB 4.27Å; S376-D379 WeakPolarHBondContact CB-OD2 3.35Å; S376-D379 PolarHBondContact N-OD2 3.07Å; S376-D379 PolarHBondContact O-N 2.81Å; S376-D379 PolarHBondContact OG-N 3.37Å; S376-D379 VanDerWaalsContact OG-N 3.13Å; S376-D379 PolarHBondContact OG-OD2 3.33Å; D379-L382 PolarHBondContact O-N 2.92Å; D379-F383 WeakPolarHBondContact O-CB 3.48Å; D379-F383 PolarHBondContact O-N 3.44Å
380I97.8Very high95.5Very high4 Ų453 Ų532%0.02127%0.269CS..Hα-helixtrans-64.1-43.4176.8-60171.2000110.6M307 V357 T358 V361 I375 S376 L382 F383 C384M307-I380 HydrophobicContact CG-CG1 4.37Å; M307-I380 HydrophobicContact SD-CG1 4.18Å; V357-I380 HydrophobicContact CB-CG2 4.39Å; V357-I380 HydrophobicContact CG1-CG2 3.87Å; T358-I380 HydrophobicContact CG2-CD1 4.05Å; V361-I380 HydrophobicContact CB-CD1 4.1Å; V361-I380 HydrophobicContact CG1-CD1 3.91Å; V361-I380 HydrophobicContact CG2-CD1 4.4Å; I375-I380 HydrophobicContact CG2-CD1 4.22Å; I375-I380 HydrophobicContact CG2-CG1 3.81Å; S376-I380 PolarHBondContact O-N 2.83Å; S376-I380 VanDerWaalsContact O-N 3.11Å; I380-L382 VanDerWaalsContact C-N 3.34Å; I380-L382 PolarHBondContact O-N 2.82Å; I380-F383 WeakPolarHBondContact O-CB 3.48Å; I380-F383 PolarHBondContact O-N 2.83Å; I380-C384 PolarHBondContact O-N 3.07Å; I380-C384 PolarHBondContact O-SG 2.84Å
381K97.4Very high95.7Very high80 Ų8056 Ų5635%0.34828%0.279SS..Hα-helixtrans-60.6-43.1174.6-77.6172.2-178.3165.70112.1A354 E377 R378 F383 C384 K385A354-K381 HydrophobicContact CB-CG 4.03Å; E377-K381 HydrophobicContact CG-CD 4.47Å; E377-K381 WeakPolarHBondContact O-CB 3.35Å; E377-K381 VanDerWaalsContact O-CG 3.31Å; E377-K381 WeakPolarHBondContact O-CG 3.4Å; E377-K381 PolarHBondContact O-N 3.02Å; E377-K381 WeakPolarHBondContact OE1-CE 3.12Å; E377-K381 IonicContact OE1-NZ 3.71Å; E377-K381 PolarHBondContact OE1-NZ 3.22Å; R378-K381 PolarHBondContact O-N 3.3Å; K381-F383 VanDerWaalsContact C-N 3.31Å; K381-C384 PolarHBondContact O-N 3.03Å; K381-K385 WeakPolarHBondContact O-CB 3.39Å; K381-K385 PolarHBondContact O-N 3.01Å
382L96.4Very high96Very high44 Ų4453.4 Ų53.423%0.2326%0.262CS..Hα-helixtrans-63-40.7175.9-176.763.4000111.4I172 E173 R378 D379 I380 K385 N386I172-L382 HydrophobicContact CG2-CG 4.35Å; E173-L382 HydrophobicContact CG-CD1 3.94Å; E173-L382 HydrophobicContact CG-CD2 4.17Å; E173-L382 HydrophobicContact CG-CG 4.21Å; R378-L382 WeakPolarHBondContact O-CB 3.24Å; R378-L382 PolarHBondContact O-N 3.16Å; D379-L382 PolarHBondContact O-N 2.92Å; I380-L382 VanDerWaalsContact C-N 3.34Å; I380-L382 PolarHBondContact O-N 2.82Å; L382-K385 PolarHBondContact O-N 3.18Å; L382-N386 WeakPolarHBondContact CD1-ND2 3.15Å; L382-N386 PolarHBondContact O-N 3.07Å; L382-N386 VanDerWaalsContact O-N 3.15Å; L382-N386 PolarHBondContact O-ND2 3.1Å
383F98.2Very high96.4Very high1 Ų152.7 Ų52.70%0.00426%0.255CS..Hα-helixtrans-62.9-46.9176.4-162.3-81.9000111.6I172 F304 M307 L308 V311 D379 I380 K381 K385 N386 A387 L390I172-F383 HydrophobicContact CD1-CD2 3.78Å; I172-F383 HydrophobicContact CD1-CE2 4.34Å; I172-F383 HydrophobicContact CG1-CD2 3.84Å; I172-F383 HydrophobicContact CG1-CE2 4.12Å; I172-F383 HydrophobicContact CG2-CD2 4.26Å; F304-F383 AromaticContact CD2-CE2 3.74Å; F304-F383 HydrophobicContact CD2-CE2 3.74Å; F304-F383 AromaticContact CE2-CE2 3.9Å; F304-F383 HydrophobicContact CE2-CE2 3.9Å; F304-F383 HydrophobicContact CE2-CZ 4.39Å; F304-F383 HydrophobicContact CG-CE2 4.38Å; M307-F383 HydrophobicContact CB-CD1 4Å; M307-F383 HydrophobicContact CB-CD2 3.68Å; M307-F383 HydrophobicContact CB-CE1 4.05Å; M307-F383 HydrophobicContact CB-CE2 3.73Å; M307-F383 HydrophobicContact CB-CG 3.82Å; M307-F383 HydrophobicContact CB-CZ 3.92Å; M307-F383 HydrophobicContact CE-CD2 3.66Å; M307-F383 HydrophobicContact CE-CE2 4.18Å; M307-F383 HydrophobicContact CE-CG 4.45Å; M307-F383 HydrophobicContact CG-CD2 4.4Å; M307-F383 HydrophobicContact SD-CB 3.96Å; M307-F383 HydrophobicContact SD-CD2 3.87Å; M307-F383 HydrophobicContact SD-CG 4.08Å; L308-F383 HydrophobicContact CB-CE1 4.42Å; L308-F383 HydrophobicContact CB-CZ 3.84Å; L308-F383 HydrophobicContact CD1-CE1 4.44Å; L308-F383 HydrophobicContact CD1-CZ 4.15Å; V311-F383 HydrophobicContact CB-CE1 4.38Å; V311-F383 HydrophobicContact CG2-CD1 3.65Å; V311-F383 HydrophobicContact CG2-CE1 3.65Å; D379-F383 WeakPolarHBondContact O-CB 3.48Å; D379-F383 PolarHBondContact O-N 3.44Å; I380-F383 WeakPolarHBondContact O-CB 3.48Å; I380-F383 PolarHBondContact O-N 2.83Å; K381-F383 VanDerWaalsContact C-N 3.31Å; F383-K385 PolarHBondContact O-N 3.25Å; F383-N386 CarbonylContact O-C 3.41Å; F383-N386 PolarHBondContact O-N 3.4Å; F383-N386 VanDerWaalsContact O-N 3.17Å; F383-A387 WeakPolarHBondContact O-CA 3.42Å; F383-A387 PolarHBondContact O-N 2.97Å; F383-L390 HydrophobicContact CD1-CD1 4.34Å; F383-L390 HydrophobicContact CD2-CD2 4.21Å; F383-L390 HydrophobicContact CE1-CD1 3.45Å; F383-L390 VanDerWaalsContact CE1-CD1 3.45Å; F383-L390 HydrophobicContact CE1-CD2 4.25Å; F383-L390 HydrophobicContact CE1-CG 4.48Å; F383-L390 HydrophobicContact CE2-CD1 4.18Å; F383-L390 HydrophobicContact CE2-CD2 3.89Å; F383-L390 HydrophobicContact CZ-CD1 3.35Å; F383-L390 HydrophobicContact CZ-CD2 3.91Å; F383-L390 HydrophobicContact CZ-CG 4.28Å
384C98.4Very high96.8Very high6 Ų648.1 Ų48.14%0.04124%0.24CC..Hα-helixtrans-59.9-45.4176.1-69.20000112P324 A354 I380 K381 N386 A387P324-C384 HydrophobicContact CB-CB 4.16Å; P324-C384 HydrophobicContact CG-CB 4.45Å; A354-C384 HydrophobicContact CB-CB 4.28Å; I380-C384 PolarHBondContact O-N 3.07Å; I380-C384 PolarHBondContact O-SG 2.84Å; K381-C384 PolarHBondContact O-N 3.03Å; C384-N386 PolarHBondContact O-N 3.43Å; C384-A387 WeakPolarHBondContact O-CB 3.5Å; C384-A387 PolarHBondContact O-N 3.27Å
385K97.2Very high97Very high109 Ų10945.7 Ų45.747%0.47422%0.223SC..Hα-helixtrans-58.2-34.7177.1-176.4-179.4176.6-172.20112.1R326 K381 L382 F383R326-K385 HydrophobicContact CG-CG 4.39Å; K381-K385 WeakPolarHBondContact O-CB 3.39Å; K381-K385 PolarHBondContact O-N 3.01Å; L382-K385 PolarHBondContact O-N 3.18Å; F383-K385 PolarHBondContact O-N 3.25Å
386N97.9Very high97.1Very high18 Ų1848.1 Ų48.110%0.09623%0.232CC..THydrogen-bonded Turntrans-103.613.8-178.8-65.9-73.2000113.7I172 L382 F383 C384 A388 F389 L390I172-N386 HydrophobicContact CG2-CB 4.07Å; I172-N386 WeakPolarHBondContact O-CB 3.37Å; L382-N386 WeakPolarHBondContact CD1-ND2 3.15Å; L382-N386 PolarHBondContact O-N 3.07Å; L382-N386 VanDerWaalsContact O-N 3.15Å; L382-N386 PolarHBondContact O-ND2 3.1Å; F383-N386 CarbonylContact O-C 3.41Å; F383-N386 PolarHBondContact O-N 3.4Å; F383-N386 VanDerWaalsContact O-N 3.17Å; C384-N386 PolarHBondContact O-N 3.43Å; N386-A388 PolarHBondContact O-N 2.81Å; N386-F389 CarbonylContact O-C 3.6Å; N386-F389 WeakPolarHBondContact O-CA 3.36Å; N386-F389 PolarHBondContact O-N 3.14Å; N386-L390 PolarHBondContact O-N 3.13Å
387A98.1Very high97.2Very high1 Ų146.3 Ų46.31%0.00822%0.219CC..THydrogen-bonded Turntrans-58.8-30-171.500000113.3V285 V311 L323 F383 C384 F389V285-A387 WeakPolarHBondContact CG2-O 3.39Å; V311-A387 HydrophobicContact CG1-CB 4.37Å; L323-A387 HydrophobicContact CD1-CB 4.47Å; L323-A387 HydrophobicContact CD2-CB 4.33Å; F383-A387 WeakPolarHBondContact O-CA 3.42Å; F383-A387 PolarHBondContact O-N 2.97Å; C384-A387 WeakPolarHBondContact O-CB 3.5Å; C384-A387 PolarHBondContact O-N 3.27Å; A387-F389 VanDerWaalsContact C-N 3.31Å
388A97.6Very high97.3Very high28 Ų2841.5 Ų41.523%0.23120%0.197CC..THydrogen-bonded Turntrans-79.6-10.1176.300000113.9P282 L323 N386P282-A388 HydrophobicContact CG-CB 4.15Å; P282-A388 WeakPolarHBondContact CG-O 3.48Å; L323-A388 HydrophobicContact CD1-CB 3.91Å; N386-A388 PolarHBondContact O-N 2.81Å
389F97.4Very high97.4Very high38 Ų3836.9 Ų36.917%0.16719%0.194CC..SBendtrans-1218.3-169.6-48.8-49000113.2S174 P176 A179 R326 N386 A387S174-F389 WeakPolarHBondContact CB-O 3Å; S174-F389 WeakPolarHBondContact OG-CB 3.37Å; S174-F389 PolarHBondContact OG-O 3.28Å; P176-F389 HydrophobicContact CG-CD1 3.89Å; P176-F389 HydrophobicContact CG-CD2 4.13Å; P176-F389 HydrophobicContact CG-CE1 4.02Å; P176-F389 HydrophobicContact CG-CE2 4.25Å; P176-F389 HydrophobicContact CG-CG 3.93Å; P176-F389 HydrophobicContact CG-CZ 4.18Å; A179-F389 HydrophobicContact CB-CE1 3.57Å; A179-F389 HydrophobicContact CB-CZ 3.44Å; A179-F389 VanDerWaalsContact CB-CZ 3.44Å; R326-F389 VanDerWaalsContact CZ-CZ 3.47Å; R326-F389 VanDerWaalsContact NH2-CZ 3.28Å; N386-F389 CarbonylContact O-C 3.6Å; N386-F389 WeakPolarHBondContact O-CA 3.36Å; N386-F389 PolarHBondContact O-N 3.14Å; A387-F389 VanDerWaalsContact C-N 3.31Å
390L98.1Very high97.4Very high2 Ų237.3 Ų37.31%0.0119%0.194CC..  trans-60.6138.5178.4-56.8174.6000110.3I172 L288 F304 L308 F383 N386I172-L390 HydrophobicContact CB-CD2 4.43Å; I172-L390 HydrophobicContact CG1-CD2 4.44Å; I172-L390 HydrophobicContact CG2-CD2 4.19Å; L288-L390 HydrophobicContact CD1-CB 4.02Å; F304-L390 HydrophobicContact CE2-CD2 4.25Å; F304-L390 HydrophobicContact CZ-CB 4.37Å; L308-L390 HydrophobicContact CD1-CD1 3.57Å; F383-L390 HydrophobicContact CD1-CD1 4.34Å; F383-L390 HydrophobicContact CD2-CD2 4.21Å; F383-L390 HydrophobicContact CE1-CD1 3.45Å; F383-L390 VanDerWaalsContact CE1-CD1 3.45Å; F383-L390 HydrophobicContact CE1-CD2 4.25Å; F383-L390 HydrophobicContact CE1-CG 4.48Å; F383-L390 HydrophobicContact CE2-CD1 4.18Å; F383-L390 HydrophobicContact CE2-CD2 3.89Å; F383-L390 HydrophobicContact CZ-CD1 3.35Å; F383-L390 HydrophobicContact CZ-CD2 3.91Å; F383-L390 HydrophobicContact CZ-CG 4.28Å; N386-L390 PolarHBondContact O-N 3.13Å
391R98Very high97.3Very high115 Ų11537.1 Ų37.143%0.43419%0.193SC..EExtended strand (participates in β ladder)trans-135.8146.1177.5-61.8-67.9-73.2-85.2-2.2109.8V171 V516V171-R391 HydrophobicContact CB-CB 4.28Å; V171-R391 PolarHBondContact N-O 3.49Å; V171-R391 PolarHBondContact O-N 3.32Å; R391-V516 HydrophobicContact CB-CG2 4.25Å; R391-V516 HydrophobicContact CG-CG2 3.88Å
392V97.8Very high97.2Very high32 Ų3234.5 Ų34.519%0.19418%0.181CC..EExtended strand (participates in β ladder)trans-127.3130167.2-178.60000107E168 H169 T170 L288 F304 W305E168-V392 HydrophobicContact CG-CG1 3.74Å; H169-V392 WeakPolarHBondContact O-CA 3.32Å; T170-V392 HydrophobicContact CG2-CG1 4.46Å; T170-V392 HydrophobicContact CG2-CG2 4.12Å; L288-V392 HydrophobicContact CD1-CG2 4.23Å; L288-V392 HydrophobicContact CD2-CB 3.79Å; L288-V392 HydrophobicContact CD2-CG2 3.39Å; L288-V392 HydrophobicContact CG-CG2 4.47Å; F304-V392 HydrophobicContact CE1-CG2 3.55Å; F304-V392 HydrophobicContact CZ-CG2 3.7Å; W305-V392 HydrophobicContact CH2-CG2 4.09Å; W305-V392 HydrophobicContact CZ2-CG1 4.39Å; W305-V392 HydrophobicContact CZ2-CG2 4.16Å
393V97.1Very high97.1Very high8 Ų837.4 Ų37.45%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-111120.2174.7-179.70000107.7H169 V516 P517 N519H169-V393 HydrophobicContact CB-CB 4.48Å; H169-V393 PolarHBondContact N-O 3.22Å; H169-V393 PolarHBondContact O-N 2.85Å; V393-V516 HydrophobicContact CG2-CG1 3.89Å; V393-P517 HydrophobicContact CB-CG 4.34Å; V393-P517 HydrophobicContact CG2-CG 4.09Å; V393-N519 HydrophobicContact CG1-CB 4.19Å
394C96.4Very high96.8Very high65 Ų6539.6 Ų39.644%0.43921%0.206SC..  trans-116.6115.3173.4-56.50000107.7Q167 N519Q167-C394 WeakPolarHBondContact O-CB 3.25Å; C394-N519 PolarHBondContact O-OD1 3.1Å
395C97.6Very high96.6Very high7 Ų745.9 Ų45.95%0.04724%0.24CC..PPolyproline II helixtrans-93.6151.4176.1-61.40000109.9W144 L164 V166 N519W144-C395 WeakPolarHBondContact CH2-O 3.4Å; L164-C395 WeakPolarHBondContact O-CB 3.3Å; L164-C395 PolarHBondContact O-SG 3.49Å; V166-C395 HydrophobicContact CG1-CB 4.36Å; V166-C395 WeakPolarHBondContact O-CB 3.46Å; V166-C395 PolarHBondContact O-N 2.9Å; C395-N519 PolarHBondContact SG-OD1 2.64Å
396R97.3Very high96.5Very high61 Ų6142.7 Ų42.723%0.2323%0.231CC..PPolyproline II helixtrans-70.8151.2170.9-61.9-178.463.1-144.53.4109.8R163 E400 S406 N520 L536R163-R396 PolarHBondContact NH2-O 2.82Å; R396-E400 PolarHBondContact NH2-O 2.73Å; R396-S406 PolarHBondContact NH2-O 2.88Å; R396-N520 PolarHBondContact N-OD1 2.82Å; R396-L536 PolarHBondContact NH1-O 3.42Å; R396-L536 PolarHBondContact NH1-OXT 2.7Å
397S97.4Very high96.5Very high11 Ų1142.3 Ų42.38%0.07723%0.229CC..PPolyproline II helixtrans-69.1156.1172.669.40000110.8A399 E400 E401S397-A399 PolarHBondContact O-N 3.01Å; S397-E400 WeakPolarHBondContact CB-OE2 3.18Å; S397-E400 PolarHBondContact N-OE2 2.85Å; S397-E400 PolarHBondContact O-N 3.15Å; S397-E400 VanDerWaalsContact OG-CG 3.22Å; S397-E400 WeakPolarHBondContact OG-CG 3.19Å; S397-E400 PolarHBondContact OG-N 3.39Å; S397-E400 PolarHBondContact OG-OE2 3.36Å; S397-E401 PolarHBondContact O-N 2.92Å
398L96.9Very high96.4Very high6 Ų644.4 Ų44.43%0.03124%0.24CC..Hα-helixtrans-62.3-31.3172-64.5176.3000111.8L137 Y150 V152 R163 V165 E400 E401 Y402L137-L398 HydrophobicContact CD2-CB 3.79Å; Y150-L398 HydrophobicContact CD1-CD1 4.05Å; Y150-L398 HydrophobicContact CE1-CD1 3.79Å; V152-L398 HydrophobicContact CG2-CD1 4.27Å; R163-L398 HydrophobicContact CG-CD2 3.74Å; V165-L398 HydrophobicContact CG2-CD1 4.12Å; V165-L398 HydrophobicContact CG2-CD2 3.71Å; V165-L398 HydrophobicContact CG2-CG 3.67Å; L398-E400 VanDerWaalsContact C-N 3.31Å; L398-E400 PolarHBondContact O-N 3.33Å; L398-E401 PolarHBondContact O-N 3.02Å; L398-Y402 HydrophobicContact CD2-CE2 4.14Å; L398-Y402 WeakPolarHBondContact O-CB 3.47Å; L398-Y402 WeakPolarHBondContact O-CD2 3.49Å; L398-Y402 PolarHBondContact O-N 2.98Å; L398-Y402 VanDerWaalsContact O-N 3.16Å
399A95.6Very high96.3Very high68 Ų6846 Ų4656%0.56224%0.242SC*.Hα-helixtrans-61.4-43.2177.300000111.2S397 Y402 H403S397-A399 PolarHBondContact O-N 3.01Å; A399-Y402 PolarHBondContact O-N 3.33Å; A399-H403 WeakPolarHBondContact O-CB 3.33Å; A399-H403 PolarHBondContact O-N 3.4Å
400E96.4Very high96.2Very high80 Ų8050.6 Ų50.637%0.37427%0.268SS..Hα-helixtrans-69.2-36.7-179.6-69.5167.4102.200113.2R396 S397 L398 Y402 S406 V407R396-E400 PolarHBondContact NH2-O 2.73Å; S397-E400 WeakPolarHBondContact CB-OE2 3.18Å; S397-E400 PolarHBondContact N-OE2 2.85Å; S397-E400 PolarHBondContact O-N 3.15Å; S397-E400 VanDerWaalsContact OG-CG 3.22Å; S397-E400 WeakPolarHBondContact OG-CG 3.19Å; S397-E400 PolarHBondContact OG-N 3.39Å; S397-E400 PolarHBondContact OG-OE2 3.36Å; L398-E400 VanDerWaalsContact C-N 3.31Å; L398-E400 PolarHBondContact O-N 3.33Å; E400-Y402 VanDerWaalsContact C-N 3.33Å; E400-S406 WeakPolarHBondContact CA-OG 3.23Å; E400-S406 CarbonylContact O-C 3.55Å; E400-S406 WeakPolarHBondContact O-CB 3.4Å; E400-S406 PolarHBondContact O-OG 3.2Å; E400-V407 PolarHBondContact O-N 2.99Å
401E96.4Very high96.1Very high0 Ų053.7 Ų53.70%028%0.283CS..Hα-helixtrans-67.6-33.2176.4171.2-179.617100112.4R163 S397 L398 Y426 L536R163-E401 IonicContact CZ-OE2 2.8Å; R163-E401 VanDerWaalsContact CZ-OE2 3.32Å; R163-E401 IonicContact NE-OE1 3.09Å; R163-E401 IonicContact NE-OE2 3.01Å; R163-E401 PolarHBondContact NE-OE2 3.26Å; R163-E401 IonicContact NH2-OE2 3.78Å; R163-E401 PolarHBondContact NH2-OE2 3.39Å; R163-E401 VanDerWaalsContact NH2-OE2 3.12Å; S397-E401 PolarHBondContact O-N 2.92Å; L398-E401 PolarHBondContact O-N 3.02Å; E401-Y426 WeakPolarHBondContact OE1-CE2 3.41Å; E401-Y426 PolarHBondContact OE1-OH 2.97Å; E401-L536 HydrophobicContact CG-CB 4.01Å
402Y94.1Very high96.1Very high25 Ų2548.2 Ų48.210%0.09826%0.262CS..Hα-helixtrans-93.6-20-172.5-75-116.6000112.9E132 L137 L398 A399 E400 R430 Y470E132-Y402 HydrophobicContact CG-CD1 4.04Å; E132-Y402 HydrophobicContact CG-CE1 3.45Å; E132-Y402 VanDerWaalsContact CG-CE1 3.45Å; E132-Y402 WeakPolarHBondContact OE1-CD1 3.48Å; E132-Y402 WeakPolarHBondContact OE1-CE1 3.45Å; E132-Y402 WeakPolarHBondContact OE2-CE1 3.39Å; L137-Y402 HydrophobicContact CD1-CD1 3.84Å; L137-Y402 HydrophobicContact CD1-CE1 4.45Å; L137-Y402 HydrophobicContact CD1-CG 4.26Å; L137-Y402 HydrophobicContact CD2-CD1 3.79Å; L137-Y402 HydrophobicContact CD2-CD2 3.89Å; L137-Y402 HydrophobicContact CD2-CE1 4.05Å; L137-Y402 HydrophobicContact CD2-CE2 4.11Å; L137-Y402 HydrophobicContact CD2-CG 3.71Å; L137-Y402 HydrophobicContact CG-CD1 4.25Å; L137-Y402 HydrophobicContact CG-CE1 4.5Å; L398-Y402 HydrophobicContact CD2-CE2 4.14Å; L398-Y402 WeakPolarHBondContact O-CB 3.47Å; L398-Y402 WeakPolarHBondContact O-CD2 3.49Å; L398-Y402 PolarHBondContact O-N 2.98Å; L398-Y402 VanDerWaalsContact O-N 3.16Å; A399-Y402 PolarHBondContact O-N 3.33Å; E400-Y402 VanDerWaalsContact C-N 3.33Å; Y402-R430 VanDerWaalsContact CE1-NE 3.33Å; Y402-Y470 WeakPolarHBondContact O-CE1 3.44Å; Y402-Y470 PolarHBondContact O-OH 3.32Å
403H94.3Very high95.9Very high104 Ų10449.3 Ų49.348%0.48127%0.269SS..SBendtrans-78.7135.8-179-169.6-86.1000112A399 D405 S406 V407A399-H403 WeakPolarHBondContact O-CB 3.33Å; A399-H403 PolarHBondContact O-N 3.4Å; H403-D405 IonicContact CE1-OD2 3.63Å; H403-D405 PolarHBondContact CE1-OD2 2.94Å; H403-D405 VanDerWaalsContact CE1-OD2 3.25Å; H403-D405 PolarHBondContact ND1-N 3.27Å; H403-D405 IonicContact ND1-OD2 2.73Å; H403-D405 PolarHBondContact O-N 3.16Å; H403-D405 VanDerWaalsContact O-N 3.17Å; H403-S406 WeakPolarHBondContact CB-OG 3.28Å; H403-S406 PolarHBondContact O-N 3.44Å; H403-S406 VanDerWaalsContact O-N 3.12Å; H403-V407 PolarHBondContact O-N 3.16Å
404V93.4Very high95.9Very high47 Ų4752.6 Ų52.629%0.28529%0.292SS..THydrogen-bonded Turntrans-59.3-32.1-171.5177.60000113.6K409 E469 Y470V404-K409 WeakPolarHBondContact O-CE 3.3Å; V404-K409 PolarHBondContact O-NZ 3.1Å; V404-E469 WeakPolarHBondContact CG1-O 3.42Å; V404-E469 HydrophobicContact CG2-CG 3.9Å; V404-Y470 HydrophobicContact CB-CD1 4.38Å; V404-Y470 HydrophobicContact CG2-CD1 3.99Å; V404-Y470 HydrophobicContact CG2-CE1 3.9Å
405D93.7Very high95.8Very high139 Ų13950.8 Ų50.874%0.74328%0.28SS*.THydrogen-bonded Turntrans-84.6-19.4-177.5-62.5-33.1000113.6H403H403-D405 IonicContact CE1-OD2 3.63Å; H403-D405 PolarHBondContact CE1-OD2 2.94Å; H403-D405 VanDerWaalsContact CE1-OD2 3.25Å; H403-D405 PolarHBondContact ND1-N 3.27Å; H403-D405 IonicContact ND1-OD2 2.73Å; H403-D405 PolarHBondContact O-N 3.16Å; H403-D405 VanDerWaalsContact O-N 3.17Å
406S95.9Very high95.7Very high42 Ų4251.2 Ų51.229%0.29428%0.281SS..THydrogen-bonded Turntrans-116.9-12.7-174.553.90000113.9R396 E400 H403 N408R396-S406 PolarHBondContact NH2-O 2.88Å; E400-S406 WeakPolarHBondContact CA-OG 3.23Å; E400-S406 CarbonylContact O-C 3.55Å; E400-S406 WeakPolarHBondContact O-CB 3.4Å; E400-S406 PolarHBondContact O-OG 3.2Å; H403-S406 WeakPolarHBondContact CB-OG 3.28Å; H403-S406 PolarHBondContact O-N 3.44Å; H403-S406 VanDerWaalsContact O-N 3.12Å; S406-N408 PolarHBondContact O-N 3.44Å
407V95.9Very high95.5Very high9 Ų954.5 Ų54.56%0.05530%0.303CS..SBendtrans-49.3136.4175.362.30000111.6E400 H403 K409 I412 Y470E400-V407 PolarHBondContact O-N 2.99Å; H403-V407 PolarHBondContact O-N 3.16Å; V407-K409 VanDerWaalsContact C-N 3.3Å; V407-K409 HydrophobicContact CG1-CD 4.25Å; V407-K409 HydrophobicContact CG1-CG 3.75Å; V407-K409 PolarHBondContact O-N 3.44Å; V407-I412 HydrophobicContact CG2-CD1 3.89Å; V407-Y470 HydrophobicContact CG1-CD1 3.98Å; V407-Y470 HydrophobicContact CG1-CE1 4.48Å; V407-Y470 HydrophobicContact CG1-CG 4.24Å
408N96.6Very high95.3Very high46 Ų4657 Ų5725%0.24632%0.321CS..  trans-77.779-178.2-168.8-10.3000111.5S406 D410 E411 I412 Q535 L536S406-N408 PolarHBondContact O-N 3.44Å; N408-D410 VanDerWaalsContact C-N 3.28Å; N408-D410 PolarHBondContact O-N 3.04Å; N408-E411 HydrophobicContact CB-CB 4.28Å; N408-E411 VanDerWaalsContact CG-CB 3.48Å; N408-E411 WeakPolarHBondContact ND2-CB 3.43Å; N408-E411 PolarHBondContact OD1-N 3.21Å; N408-E411 VanDerWaalsContact OD1-N 3.17Å; N408-I412 WeakPolarHBondContact O-CG1 3.22Å; N408-I412 PolarHBondContact O-N 3.49Å; N408-Q535 PolarHBondContact ND2-O 2.91Å; N408-L536 WeakPolarHBondContact CB-OXT 3.25Å; N408-L536 PolarHBondContact N-OXT 2.99Å
409K95.9Very high94.9Very high61 Ų6159.5 Ų59.527%0.26534%0.338SS..Hα-helixtrans-65.2-32.2-176.7-57.2-178.1-169.7-1730112.6V404 V407 T413 Y470 L472V404-K409 WeakPolarHBondContact O-CE 3.3Å; V404-K409 PolarHBondContact O-NZ 3.1Å; V407-K409 VanDerWaalsContact C-N 3.3Å; V407-K409 HydrophobicContact CG1-CD 4.25Å; V407-K409 HydrophobicContact CG1-CG 3.75Å; V407-K409 PolarHBondContact O-N 3.44Å; K409-T413 WeakPolarHBondContact O-CB 3.41Å; K409-T413 PolarHBondContact O-N 2.96Å; K409-T413 PolarHBondContact O-OG1 3.43Å; K409-Y470 VanDerWaalsContact CD-O 3.31Å; K409-Y470 WeakPolarHBondContact CD-O 3.38Å; K409-Y470 WeakPolarHBondContact CE-O 3.15Å; K409-Y470 PolarHBondContact NZ-O 2.96Å; K409-L472 HydrophobicContact CB-CD2 4.01Å; K409-L472 HydrophobicContact CG-CD2 4.09Å
410D95.4Very high94.7Very high135 Ų13560.4 Ų60.472%0.72233%0.333SS*.Hα-helixtrans-67.3-48-178-65.8-20.4000110.4N408 T413 S414N408-D410 VanDerWaalsContact C-N 3.28Å; N408-D410 PolarHBondContact O-N 3.04Å; D410-T413 PolarHBondContact O-N 3.18Å; D410-S414 VanDerWaalsContact O-CB 3.24Å; D410-S414 WeakPolarHBondContact O-CB 3.32Å; D410-S414 PolarHBondContact O-N 3.49Å
411E96.3Very high94.7Very high66 Ų6657.4 Ų57.431%0.30832%0.321SS..Hα-helixtrans-60.3-48175.4-173.576.9-177.700111.3N408 T413 S414 C415 M423N408-E411 HydrophobicContact CB-CB 4.28Å; N408-E411 VanDerWaalsContact CG-CB 3.48Å; N408-E411 WeakPolarHBondContact ND2-CB 3.43Å; N408-E411 PolarHBondContact OD1-N 3.21Å; N408-E411 VanDerWaalsContact OD1-N 3.17Å; E411-T413 PolarHBondContact O-N 3.28Å; E411-S414 PolarHBondContact O-N 3.34Å; E411-C415 WeakPolarHBondContact O-CB 3.33Å; E411-C415 PolarHBondContact O-N 3.43Å; E411-C415 PolarHBondContact O-SG 3.48Å; E411-M423 HydrophobicContact CG-CE 4.38Å
412I96.6Very high94.8Very high1 Ų159 Ų591%0.00533%0.328CS..Hα-helixtrans-60.8-48.3-179.7-65.6168.2000110.4V407 N408 C415 M416 M423 Y426 L427 L472 L536V407-I412 HydrophobicContact CG2-CD1 3.89Å; N408-I412 WeakPolarHBondContact O-CG1 3.22Å; N408-I412 PolarHBondContact O-N 3.49Å; I412-C415 PolarHBondContact O-N 3.26Å; I412-M416 HydrophobicContact CG2-CG 4.39Å; I412-M416 WeakPolarHBondContact O-CB 3.47Å; I412-M416 WeakPolarHBondContact O-CG 3.33Å; I412-M416 PolarHBondContact O-N 3.36Å; I412-M423 HydrophobicContact CG1-CE 4.42Å; I412-M423 HydrophobicContact CG1-SD 4.05Å; I412-M423 HydrophobicContact CG2-CG 4.33Å; I412-M423 HydrophobicContact CG2-SD 4.5Å; I412-Y426 HydrophobicContact CD1-CE1 4.19Å; I412-L427 HydrophobicContact CG2-CD1 4.16Å; I412-L427 HydrophobicContact CG2-CD2 4.16Å; I412-L472 HydrophobicContact CB-CD2 4.34Å; I412-L472 HydrophobicContact CD1-CD1 4.43Å; I412-L472 HydrophobicContact CG2-CD1 4.05Å; I412-L472 HydrophobicContact CG2-CD2 4.09Å; I412-L536 HydrophobicContact CG1-CD2 4.11Å
413T95.4Very high95Very high54 Ų5457.8 Ų57.833%0.33132%0.323SS..Hα-helixtrans-67.6-43.9-176.4-58.90000110.8K409 D410 E411 C415 M416 D417K409-T413 WeakPolarHBondContact O-CB 3.41Å; K409-T413 PolarHBondContact O-N 2.96Å; K409-T413 PolarHBondContact O-OG1 3.43Å; D410-T413 PolarHBondContact O-N 3.18Å; E411-T413 PolarHBondContact O-N 3.28Å; T413-C415 PolarHBondContact O-N 3.16Å; T413-M416 PolarHBondContact O-N 3.09Å; T413-D417 PolarHBondContact O-N 2.71Å
414S95.6Very high95.1Very high78 Ų7852.8 Ų52.855%0.54530%0.3SS..Hα-helixtrans-62.2-41177.2-176.70000112.3D410 E411 M416 D417D410-S414 VanDerWaalsContact O-CB 3.24Å; D410-S414 WeakPolarHBondContact O-CB 3.32Å; D410-S414 PolarHBondContact O-N 3.49Å; E411-S414 PolarHBondContact O-N 3.34Å; S414-M416 VanDerWaalsContact C-N 3.33Å; S414-M416 PolarHBondContact O-N 3.46Å; S414-D417 WeakPolarHBondContact O-CB 3.3Å; S414-D417 PolarHBondContact O-N 3.36Å
415C95.8Very high95.4Very high26 Ų2650.7 Ų50.718%0.17629%0.287CS..Hα-helixtrans-67.3-35.8176.6-68.20000112.3E411 I412 T413 D417 S418 S421 M423 Y534E411-C415 WeakPolarHBondContact O-CB 3.33Å; E411-C415 PolarHBondContact O-N 3.43Å; E411-C415 PolarHBondContact O-SG 3.48Å; I412-C415 PolarHBondContact O-N 3.26Å; T413-C415 PolarHBondContact O-N 3.16Å; C415-D417 PolarHBondContact O-N 3.38Å; C415-S418 PolarHBondContact O-N 3.4Å; C415-S421 WeakPolarHBondContact O-CB 3.46Å; C415-M423 HydrophobicContact CB-CB 3.75Å; C415-M423 HydrophobicContact CB-CE 3.84Å; C415-M423 HydrophobicContact CB-CG 3.93Å; C415-Y534 HydrophobicContact CB-CE1 4.26Å; C415-Y534 VanDerWaalsContact SG-CE1 3.56Å
416M95.5Very high95.6Very high16 Ų1644.2 Ų44.28%0.07925%0.252CS..THydrogen-bonded Turntrans-77.6-2.3-178.8-70.1-62.2-60.700114.1I412 T413 S414 S418 M423 V424 L427 V474 I476I412-M416 HydrophobicContact CG2-CG 4.39Å; I412-M416 WeakPolarHBondContact O-CB 3.47Å; I412-M416 WeakPolarHBondContact O-CG 3.33Å; I412-M416 PolarHBondContact O-N 3.36Å; T413-M416 PolarHBondContact O-N 3.09Å; S414-M416 VanDerWaalsContact C-N 3.33Å; S414-M416 PolarHBondContact O-N 3.46Å; M416-S418 PolarHBondContact O-N 3.17Å; M416-M423 HydrophobicContact CG-CB 4.4Å; M416-M423 HydrophobicContact CG-CG 3.92Å; M416-M423 HydrophobicContact SD-CB 3.95Å; M416-M423 HydrophobicContact SD-CG 3.96Å; M416-V424 HydrophobicContact CE-CB 4.22Å; M416-V424 HydrophobicContact CE-CG2 4.18Å; M416-V424 HydrophobicContact SD-CB 4.13Å; M416-L427 HydrophobicContact CE-CD1 4.34Å; M416-L427 HydrophobicContact CG-CD1 4.16Å; M416-L427 HydrophobicContact SD-CD1 4.08Å; M416-V474 HydrophobicContact CB-CB 3.98Å; M416-V474 HydrophobicContact CB-CG1 3.59Å; M416-V474 HydrophobicContact CE-CB 4.44Å; M416-V474 HydrophobicContact CG-CB 4.25Å; M416-V474 HydrophobicContact CG-CG1 4.04Å; M416-I476 HydrophobicContact CE-CG1 4.27Å
417D92.6Very high95.7Very high130 Ų13042.3 Ų42.370%0.69524%0.239SC*.THydrogen-bonded Turntrans-58.4-28.3164.8-76.8-23.7000111.3T413 S414 C415 P419T413-D417 PolarHBondContact O-N 2.71Å; S414-D417 WeakPolarHBondContact O-CB 3.3Å; S414-D417 PolarHBondContact O-N 3.36Å; C415-D417 PolarHBondContact O-N 3.38Å; D417-P419 WeakPolarHBondContact O-CD 3.2Å
418S93.1Very high95.8Very high63 Ų6341.9 Ų41.944%0.44124%0.236SC..SBendtrans-93.9109.9164.5-178.20000109.5C415 M416 D420 S421C415-S418 PolarHBondContact O-N 3.4Å; M416-S418 PolarHBondContact O-N 3.17Å; S418-D420 PolarHBondContact O-N 2.95Å; S418-S421 WeakPolarHBondContact O-CB 3.31Å; S418-S421 PolarHBondContact O-N 2.94Å
419P89.3Confident95.8Very high59 Ų5940 Ų4038%0.38323%0.226SC..THydrogen-bonded Turntrans-62.4-16.1-177.1-25.435.8000114.9D417D417-P419 WeakPolarHBondContact O-CD 3.2Å
420D91.5Very high95.9Very high88 Ų8837.4 Ų37.447%0.47122%0.215SC..THydrogen-bonded Turntrans-107.811.7-179.2-58.8-62.6000112.7S418 K477 Y480S418-D420 PolarHBondContact O-N 2.95Å; D420-K477 IonicContact OD1-NZ 3.99Å; D420-K477 PolarHBondContact OD1-NZ 3.45Å; D420-K477 IonicContact OD2-NZ 3.59Å; D420-K477 PolarHBondContact OD2-NZ 3.43Å; D420-Y480 WeakPolarHBondContact CA-OH 3.45Å; D420-Y480 PolarHBondContact OD1-OH 3.12Å
421S95.9Very high96Very high16 Ų1631 Ų3111%0.11218%0.181CC..SBendtrans-59.9144.2172.4-176.70000111.5C415 S418 M423 V424 Y534C415-S421 WeakPolarHBondContact O-CB 3.46Å; S418-S421 WeakPolarHBondContact O-CB 3.31Å; S418-S421 PolarHBondContact O-N 2.94Å; S421-M423 PolarHBondContact O-N 3.38Å; S421-M423 PolarHBondContact OG-N 3.13Å; S421-V424 WeakPolarHBondContact O-CG1 3.33Å; S421-V424 PolarHBondContact O-N 2.88Å; S421-Y534 PolarHBondContact OG-OH 3.07Å
422E97.3Very high96Very high33 Ų3327.9 Ų27.915%0.15417%0.166CC..THydrogen-bonded Turntrans-59.6-16.2175.7-6872-166.200113.3V424 F425 I523 N525 T530 A532 Y534E422-V424 PolarHBondContact O-N 2.96Å; E422-F425 HydrophobicContact CB-CD2 4.03Å; E422-F425 HydrophobicContact CB-CE2 4.44Å; E422-F425 HydrophobicContact CG-CD2 4.25Å; E422-F425 HydrophobicContact CG-CE2 4.26Å; E422-F425 WeakPolarHBondContact O-CB 3.41Å; E422-F425 WeakPolarHBondContact O-CD2 3.29Å; E422-F425 PolarHBondContact O-N 2.89Å; E422-I523 HydrophobicContact CB-CB 4.2Å; E422-I523 HydrophobicContact CB-CG2 3.92Å; E422-N525 HydrophobicContact CG-CB 4.4Å; E422-T530 WeakPolarHBondContact OE1-CB 3.5Å; E422-T530 PolarHBondContact OE1-OG1 3.16Å; E422-A532 HydrophobicContact CB-CB 4.09Å; E422-A532 HydrophobicContact CG-CB 4.4Å; E422-Y534 HydrophobicContact CB-CE2 4.32Å; E422-Y534 WeakPolarHBondContact CB-OH 3.18Å; E422-Y534 PolarHBondContact N-OH 3.3Å
423M97.9Very high96Very high0 Ų028.5 Ų28.50%017%0.169CC..Hα-helixtrans-54.7-31.8171.1-174.559.873.700112.4E411 I412 C415 M416 S421 F425 Y426 L427 Y534 L536E411-M423 HydrophobicContact CG-CE 4.38Å; I412-M423 HydrophobicContact CG1-CE 4.42Å; I412-M423 HydrophobicContact CG1-SD 4.05Å; I412-M423 HydrophobicContact CG2-CG 4.33Å; I412-M423 HydrophobicContact CG2-SD 4.5Å; C415-M423 HydrophobicContact CB-CB 3.75Å; C415-M423 HydrophobicContact CB-CE 3.84Å; C415-M423 HydrophobicContact CB-CG 3.93Å; M416-M423 HydrophobicContact CG-CB 4.4Å; M416-M423 HydrophobicContact CG-CG 3.92Å; M416-M423 HydrophobicContact SD-CB 3.95Å; M416-M423 HydrophobicContact SD-CG 3.96Å; S421-M423 PolarHBondContact O-N 3.38Å; S421-M423 PolarHBondContact OG-N 3.13Å; M423-F425 PolarHBondContact O-N 3.27Å; M423-Y426 WeakPolarHBondContact O-CB 3.35Å; M423-Y426 PolarHBondContact O-N 3.31Å; M423-Y426 VanDerWaalsContact O-N 3.16Å; M423-Y426 HydrophobicContact SD-CD1 3.85Å; M423-Y426 HydrophobicContact SD-CG 4.42Å; M423-L427 PolarHBondContact O-N 2.92Å; M423-L427 VanDerWaalsContact O-N 3.16Å; M423-Y534 HydrophobicContact CB-CE1 4.4Å; M423-Y534 HydrophobicContact CE-CD1 3.32Å; M423-Y534 HydrophobicContact CE-CD2 4Å; M423-Y534 HydrophobicContact CE-CE1 3.66Å; M423-Y534 HydrophobicContact CE-CE2 4.29Å; M423-Y534 HydrophobicContact CE-CG 3.49Å; M423-Y534 VanDerWaalsContact CE-CG 3.49Å; M423-Y534 PolarHBondContact N-OH 3.41Å; M423-L536 HydrophobicContact CE-CD2 3.67Å; M423-L536 HydrophobicContact SD-CD2 3.92Å
424V97.9Very high95.9Very high0 Ų027.1 Ų27.10%016%0.158CC..Hα-helixtrans-60-35.1176.476.10000111.4M416 S421 E422 L427 M428 I476 Y480M416-V424 HydrophobicContact CE-CB 4.22Å; M416-V424 HydrophobicContact CE-CG2 4.18Å; M416-V424 HydrophobicContact SD-CB 4.13Å; S421-V424 WeakPolarHBondContact O-CG1 3.33Å; S421-V424 PolarHBondContact O-N 2.88Å; E422-V424 PolarHBondContact O-N 2.96Å; V424-L427 PolarHBondContact O-N 2.79Å; V424-M428 HydrophobicContact CG2-CG 4.49Å; V424-M428 WeakPolarHBondContact O-CB 3.35Å; V424-M428 VanDerWaalsContact O-CG 3.26Å; V424-M428 WeakPolarHBondContact O-CG 3.45Å; V424-M428 PolarHBondContact O-N 3.16Å; V424-I476 HydrophobicContact CG2-CB 4.47Å; V424-I476 HydrophobicContact CG2-CD1 4.4Å; V424-I476 HydrophobicContact CG2-CG1 4.19Å; V424-I476 HydrophobicContact CG2-CG2 3.8Å; V424-Y480 HydrophobicContact CB-CE2 4.45Å; V424-Y480 HydrophobicContact CG1-CD1 4.2Å; V424-Y480 HydrophobicContact CG1-CD2 4.27Å; V424-Y480 HydrophobicContact CG1-CE1 3.92Å; V424-Y480 HydrophobicContact CG1-CE2 3.98Å; V424-Y480 HydrophobicContact CG1-CG 4.37Å; V424-Y480 HydrophobicContact CG2-CD2 3.66Å; V424-Y480 HydrophobicContact CG2-CE2 3.92Å; V424-Y480 HydrophobicContact CG2-CG 4.1Å
425F98.3Very high96Very high2 Ų223.4 Ų23.41%0.00913%0.132CC..Hα-helixtrans-71.8-33.2179.7-55.1-54.9000112.1I159 E422 M423 M428 L429 Y480 F484 I523 N525 M527I159-F425 HydrophobicContact CD1-CB 4.32Å; I159-F425 HydrophobicContact CD1-CD1 3.56Å; I159-F425 HydrophobicContact CD1-CD2 4.02Å; I159-F425 HydrophobicContact CD1-CE1 3.78Å; I159-F425 HydrophobicContact CD1-CE2 4.25Å; I159-F425 HydrophobicContact CD1-CG 3.69Å; I159-F425 HydrophobicContact CD1-CZ 4.13Å; I159-F425 HydrophobicContact CG1-CB 4.44Å; I159-F425 HydrophobicContact CG1-CD1 4.06Å; I159-F425 HydrophobicContact CG1-CG 4.26Å; I159-F425 HydrophobicContact CG2-CB 3.96Å; I159-F425 HydrophobicContact CG2-CG 4.47Å; E422-F425 HydrophobicContact CB-CD2 4.03Å; E422-F425 HydrophobicContact CB-CE2 4.44Å; E422-F425 HydrophobicContact CG-CD2 4.25Å; E422-F425 HydrophobicContact CG-CE2 4.26Å; E422-F425 WeakPolarHBondContact O-CB 3.41Å; E422-F425 WeakPolarHBondContact O-CD2 3.29Å; E422-F425 PolarHBondContact O-N 2.89Å; M423-F425 PolarHBondContact O-N 3.27Å; F425-M428 PolarHBondContact O-N 3.01Å; F425-L429 WeakPolarHBondContact O-CB 3.29Å; F425-L429 WeakPolarHBondContact O-CG 3.32Å; F425-L429 PolarHBondContact O-N 2.69Å; F425-Y480 AromaticContact CE1-CD1 3.78Å; F425-Y480 HydrophobicContact CE1-CD1 3.78Å; F425-Y480 AromaticContact CE1-CE1 3.71Å; F425-Y480 HydrophobicContact CE1-CE1 3.71Å; F425-Y480 HydrophobicContact CZ-CD1 4.45Å; F425-Y480 AromaticContact CZ-CE1 3.91Å; F425-Y480 HydrophobicContact CZ-CE1 3.91Å; F425-F484 HydrophobicContact CB-CZ 4.42Å; F425-F484 AromaticContact CD1-CE2 3.79Å; F425-F484 HydrophobicContact CD1-CE2 3.79Å; F425-F484 HydrophobicContact CD1-CZ 4.09Å; F425-F484 HydrophobicContact CE1-CE2 4.42Å; F425-I523 HydrophobicContact CB-CG2 3.97Å; F425-I523 HydrophobicContact CD2-CG2 4.13Å; F425-N525 HydrophobicContact CD2-CB 4.16Å; F425-N525 HydrophobicContact CE2-CB 3.63Å; F425-N525 WeakPolarHBondContact CE2-ND2 3.46Å; F425-N525 HydrophobicContact CZ-CB 4.27Å; F425-N525 WeakPolarHBondContact CZ-ND2 3.28Å; F425-M527 HydrophobicContact CE1-CE 3.67Å; F425-M527 HydrophobicContact CZ-CE 3.72Å
426Y98.3Very high95.9Very high3 Ų324.4 Ų24.41%0.01213%0.134CC..Hα-helixtrans-59.8-52.4169.3165.7-105.4000110.6Y161 E401 I412 M423 M428 L429 R430 L536Y161-Y426 HydrophobicContact CE2-CD2 4.28Å; E401-Y426 WeakPolarHBondContact OE1-CE2 3.41Å; E401-Y426 PolarHBondContact OE1-OH 2.97Å; I412-Y426 HydrophobicContact CD1-CE1 4.19Å; M423-Y426 WeakPolarHBondContact O-CB 3.35Å; M423-Y426 PolarHBondContact O-N 3.31Å; M423-Y426 VanDerWaalsContact O-N 3.16Å; M423-Y426 HydrophobicContact SD-CD1 3.85Å; M423-Y426 HydrophobicContact SD-CG 4.42Å; Y426-M428 VanDerWaalsContact C-N 3.3Å; Y426-M428 PolarHBondContact O-N 3.03Å; Y426-L429 PolarHBondContact O-N 3.28Å; Y426-L429 VanDerWaalsContact O-N 3.15Å; Y426-R430 HydrophobicContact CD2-CG 4.24Å; Y426-R430 HydrophobicContact CE1-CG 4.2Å; Y426-R430 HydrophobicContact CE2-CG 3.77Å; Y426-R430 WeakPolarHBondContact O-CG 3.37Å; Y426-R430 PolarHBondContact O-N 2.84Å; Y426-R430 PolarHBondContact OH-NH1 3.23Å; Y426-L536 HydrophobicContact CD1-CD1 3.87Å; Y426-L536 HydrophobicContact CD2-CD1 3.49Å; Y426-L536 VanDerWaalsContact CD2-CD1 3.49Å; Y426-L536 HydrophobicContact CE1-CD1 3.82Å; Y426-L536 HydrophobicContact CE1-CD2 4.4Å; Y426-L536 HydrophobicContact CE2-CD1 3.45Å; Y426-L536 VanDerWaalsContact CE2-CD1 3.45Å; Y426-L536 HydrophobicContact CG-CD1 3.7Å
427L98Very high95.7Very high2 Ų229.4 Ų29.41%0.0116%0.157CC..Hα-helixtrans-60.5-39.3179-65.6175000112.4I412 M416 M423 V424 R430 A431 L467 L472 V474 I476I412-L427 HydrophobicContact CG2-CD1 4.16Å; I412-L427 HydrophobicContact CG2-CD2 4.16Å; M416-L427 HydrophobicContact CE-CD1 4.34Å; M416-L427 HydrophobicContact CG-CD1 4.16Å; M416-L427 HydrophobicContact SD-CD1 4.08Å; M423-L427 PolarHBondContact O-N 2.92Å; M423-L427 VanDerWaalsContact O-N 3.16Å; V424-L427 PolarHBondContact O-N 2.79Å; L427-R430 PolarHBondContact O-N 3.34Å; L427-A431 WeakPolarHBondContact O-CB 3.3Å; L427-A431 PolarHBondContact O-N 3.42Å; L427-L467 HydrophobicContact CD1-CD2 4.34Å; L427-L472 HydrophobicContact CD2-CD1 4.11Å; L427-V474 HydrophobicContact CD1-CG2 4.09Å; L427-I476 HydrophobicContact CB-CD1 3.8Å; L427-I476 HydrophobicContact CD1-CD1 4.03Å
428M98.3Very high95.7Very high0 Ų028.4 Ų28.40%015%0.151CC..Hα-helixtrans-66-39.9175.7-73.4-55.7-57.600112.5V424 F425 Y426 A431 V432 L459 V463 I476 I481 F484V424-M428 HydrophobicContact CG2-CG 4.49Å; V424-M428 WeakPolarHBondContact O-CB 3.35Å; V424-M428 VanDerWaalsContact O-CG 3.26Å; V424-M428 WeakPolarHBondContact O-CG 3.45Å; V424-M428 PolarHBondContact O-N 3.16Å; F425-M428 PolarHBondContact O-N 3.01Å; Y426-M428 VanDerWaalsContact C-N 3.3Å; Y426-M428 PolarHBondContact O-N 3.03Å; M428-A431 PolarHBondContact O-N 3.4Å; M428-V432 WeakPolarHBondContact O-CB 3.48Å; M428-V432 WeakPolarHBondContact O-CG2 3.32Å; M428-V432 PolarHBondContact O-N 3.4Å; M428-L459 HydrophobicContact CE-CD2 3.92Å; M428-L459 HydrophobicContact CE-CG 4.35Å; M428-V463 HydrophobicContact CE-CG2 4.26Å; M428-V463 HydrophobicContact SD-CG2 3.82Å; M428-I476 HydrophobicContact SD-CD1 4.41Å; M428-I476 HydrophobicContact SD-CG2 3.87Å; M428-I481 HydrophobicContact CE-CB 4.37Å; M428-I481 HydrophobicContact CE-CG1 4.07Å; M428-I481 HydrophobicContact SD-CG1 4.18Å; M428-F484 HydrophobicContact CB-CD1 3.9Å; M428-F484 HydrophobicContact CB-CD2 3.93Å; M428-F484 HydrophobicContact CB-CE1 3.56Å; M428-F484 HydrophobicContact CB-CE2 3.6Å; M428-F484 HydrophobicContact CB-CG 4.06Å; M428-F484 HydrophobicContact CB-CZ 3.39Å; M428-F484 HydrophobicContact CE-CB 3.81Å; M428-F484 HydrophobicContact CE-CD1 4.4Å; M428-F484 HydrophobicContact CE-CD2 4.06Å; M428-F484 HydrophobicContact CE-CG 3.82Å; M428-F484 HydrophobicContact CG-CD2 4.15Å; M428-F484 HydrophobicContact CG-CE2 4.01Å; M428-F484 HydrophobicContact CG-CZ 4.29Å
429L97.9Very high95.6Very high6 Ų628.9 Ų28.93%0.03115%0.146CC..Hα-helixtrans-62.5-43.7174.3-74.8168.1000111.6K154 Y156 I159 Y161 F425 Y426 A431 V432 D433 F484K154-L429 HydrophobicContact CD-CD2 4.27Å; Y156-L429 HydrophobicContact CG-CD2 4.08Å; I159-L429 HydrophobicContact CG2-CD1 4.14Å; Y161-L429 HydrophobicContact CD2-CD1 3.99Å; Y161-L429 HydrophobicContact CG-CD1 4.06Å; F425-L429 WeakPolarHBondContact O-CB 3.29Å; F425-L429 WeakPolarHBondContact O-CG 3.32Å; F425-L429 PolarHBondContact O-N 2.69Å; Y426-L429 PolarHBondContact O-N 3.28Å; Y426-L429 VanDerWaalsContact O-N 3.15Å; L429-A431 VanDerWaalsContact C-N 3.33Å; L429-A431 PolarHBondContact O-N 2.83Å; L429-V432 PolarHBondContact O-N 3.39Å; L429-D433 PolarHBondContact O-N 2.95Å; L429-F484 HydrophobicContact CD2-CE1 4.05Å; L429-F484 HydrophobicContact CG-CE1 4.12Å
430R96.9Very high95.7Very high8 Ų831.1 Ų31.13%0.0316%0.163CC..Hα-helixtrans-60.1-42.4173.7-63.3-58-55.8-79.1-8111.6E132 Y402 Y426 L427 D433 R434 L466 Y470E132-R430 IonicContact OE1-CZ 3.9Å; E132-R430 IonicContact OE1-NE 2.74Å; E132-R430 PolarHBondContact OE1-NE 3.1Å; E132-R430 IonicContact OE1-NH2 2.67Å; E132-R430 PolarHBondContact OE1-NH2 3.23Å; E132-R430 WeakPolarHBondContact OE2-CD 3.42Å; E132-R430 IonicContact OE2-CZ 3.25Å; E132-R430 IonicContact OE2-NE 2.72Å; E132-R430 PolarHBondContact OE2-NE 2.95Å; E132-R430 IonicContact OE2-NH2 3.15Å; Y402-R430 VanDerWaalsContact CE1-NE 3.33Å; Y426-R430 HydrophobicContact CD2-CG 4.24Å; Y426-R430 HydrophobicContact CE1-CG 4.2Å; Y426-R430 HydrophobicContact CE2-CG 3.77Å; Y426-R430 WeakPolarHBondContact O-CG 3.37Å; Y426-R430 PolarHBondContact O-N 2.84Å; Y426-R430 PolarHBondContact OH-NH1 3.23Å; L427-R430 PolarHBondContact O-N 3.34Å; R430-D433 PolarHBondContact O-N 3.03Å; R430-R434 PolarHBondContact O-N 3.27Å; R430-L466 HydrophobicContact CB-CD1 4.31Å; R430-L466 HydrophobicContact CB-CD2 3.57Å; R430-Y470 PolarHBondContact NH1-OH 2.98Å; R430-Y470 PolarHBondContact NH2-OH 2.85Å
431A97.4Very high95.6Very high0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-67-36.1176.900000112.8L427 M428 L429 R434 F435 L459 V463 L466L427-A431 WeakPolarHBondContact O-CB 3.3Å; L427-A431 PolarHBondContact O-N 3.42Å; M428-A431 PolarHBondContact O-N 3.4Å; L429-A431 VanDerWaalsContact C-N 3.33Å; L429-A431 PolarHBondContact O-N 2.83Å; A431-R434 WeakPolarHBondContact O-CB 3.2Å; A431-R434 PolarHBondContact O-N 3.33Å; A431-F435 PolarHBondContact O-N 3.25Å; A431-L459 HydrophobicContact CB-CD1 4.32Å; A431-V463 HydrophobicContact CB-CB 4.34Å; A431-V463 HydrophobicContact CB-CG2 3.49Å; A431-V463 VanDerWaalsContact CB-CG2 3.49Å; A431-L466 HydrophobicContact CB-CD2 4.39Å
432V96.8Very high95.4Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-66.4-40173.8163.40000111.8Y156 M428 L429 R434 F435 H436 Y442 P443 L459 F484Y156-V432 HydrophobicContact CD2-CG1 4.3Å; Y156-V432 HydrophobicContact CE1-CG2 4.34Å; Y156-V432 HydrophobicContact CE2-CG1 3.55Å; M428-V432 WeakPolarHBondContact O-CB 3.48Å; M428-V432 WeakPolarHBondContact O-CG2 3.32Å; M428-V432 PolarHBondContact O-N 3.4Å; L429-V432 PolarHBondContact O-N 3.39Å; V432-R434 VanDerWaalsContact C-N 3.33Å; V432-F435 WeakPolarHBondContact O-CB 3.46Å; V432-F435 PolarHBondContact O-N 2.76Å; V432-H436 PolarHBondContact O-N 2.99Å; V432-Y442 HydrophobicContact CG1-CD1 3.61Å; V432-Y442 HydrophobicContact CG1-CE1 3.94Å; V432-P443 HydrophobicContact CG2-CG 4.28Å; V432-L459 HydrophobicContact CG2-CD1 3.91Å; V432-L459 HydrophobicContact CG2-CD2 4.36Å; V432-F484 HydrophobicContact CG2-CB 4.47Å; V432-F484 HydrophobicContact CG2-CD1 3.73Å
433D95.4Very high95Very high14 Ų1429.1 Ų29.18%0.07515%0.146CC..Hα-helixtrans-67.8-36.1176.3-77.9-31.8000111.8E132 K154 L429 R430 H436 Q437E132-D433 HydrophobicContact CB-CB 3.62Å; E132-D433 HydrophobicContact CG-CB 4.4Å; K154-D433 IonicContact NZ-OD1 2.72Å; K154-D433 PolarHBondContact NZ-OD1 2.78Å; K154-D433 IonicContact NZ-OD2 2.6Å; K154-D433 PolarHBondContact NZ-OD2 2.7Å; L429-D433 PolarHBondContact O-N 2.95Å; R430-D433 PolarHBondContact O-N 3.03Å; D433-H436 WeakPolarHBondContact O-CB 3.45Å; D433-H436 PolarHBondContact O-N 3.44Å; D433-Q437 PolarHBondContact O-N 2.97Å
434R95.3Very high94.2Very high25 Ų2530.2 Ų30.29%0.09415%0.152CC..Hα-helixtrans-61-44.2168.6-175.9171.8-60.3-146.8-8.5112.5R430 A431 V432 H436 Q437 L438 C462 S465 L466 E469R430-R434 PolarHBondContact O-N 3.27Å; A431-R434 WeakPolarHBondContact O-CB 3.2Å; A431-R434 PolarHBondContact O-N 3.33Å; V432-R434 VanDerWaalsContact C-N 3.33Å; R434-H436 VanDerWaalsContact C-N 3.3Å; R434-H436 PolarHBondContact O-N 3.37Å; R434-Q437 WeakPolarHBondContact O-CB 3.46Å; R434-Q437 PolarHBondContact O-N 2.79Å; R434-L438 HydrophobicContact CG-CD1 4.2Å; R434-L438 WeakPolarHBondContact O-CG 3.45Å; R434-L438 PolarHBondContact O-N 2.66Å; R434-C462 HydrophobicContact CB-CB 4.42Å; R434-C462 HydrophobicContact CG-CB 4.3Å; R434-S465 VanDerWaalsContact NH1-C 3.26Å; R434-S465 PolarHBondContact NH1-O 3.11Å; R434-S465 PolarHBondContact NH1-OG 2.65Å; R434-L466 VanDerWaalsContact NH1-CA 3.26Å; R434-L466 VanDerWaalsContact NH1-N 3.18Å; R434-L466 VanDerWaalsContact NH2-CD1 3.26Å; R434-E469 IonicContact CZ-OE2 2.69Å; R434-E469 IonicContact NH1-OE2 3.84Å; R434-E469 PolarHBondContact NH1-OE2 2.86Å; R434-E469 IonicContact NH2-OE1 2.84Å; R434-E469 IonicContact NH2-OE2 3.93Å; R434-E469 PolarHBondContact NH2-OE2 2.8Å
435F95.8Very high93Very high0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-57.7-46.3174.1-179-74.1000110.7A431 V432 Q437 L438 H439 R441 P443 D455 K458 L459A431-F435 PolarHBondContact O-N 3.25Å; V432-F435 WeakPolarHBondContact O-CB 3.46Å; V432-F435 PolarHBondContact O-N 2.76Å; F435-Q437 VanDerWaalsContact C-N 3.32Å; F435-Q437 PolarHBondContact O-N 3.47Å; F435-L438 PolarHBondContact O-N 2.8Å; F435-H439 HydrophobicContact CD1-CB 4.27Å; F435-H439 AromaticContact CD1-CD2 3.85Å; F435-H439 AromaticContact CD2-CD2 3.62Å; F435-H439 HydrophobicContact CE1-CB 3.94Å; F435-H439 AromaticContact CE1-CD2 3.79Å; F435-H439 AromaticContact CE2-CD2 3.6Å; F435-H439 AromaticContact CG-CD2 3.76Å; F435-H439 HydrophobicContact CZ-CB 4.39Å; F435-H439 AromaticContact CZ-CD2 3.67Å; F435-H439 WeakPolarHBondContact O-CB 3.31Å; F435-H439 PolarHBondContact O-CD2 3.46Å; F435-H439 PolarHBondContact O-N 2.87Å; F435-R441 VanDerWaalsContact CD1-O 3.25Å; F435-R441 WeakPolarHBondContact CD1-O 3.22Å; F435-R441 HydrophobicContact CE1-CG 4.43Å; F435-R441 VanDerWaalsContact CE1-O 3.3Å; F435-R441 WeakPolarHBondContact CE1-O 3.48Å; F435-P443 HydrophobicContact CB-CG 4.35Å; F435-P443 HydrophobicContact CD1-CG 3.72Å; F435-P443 HydrophobicContact CD2-CG 4.12Å; F435-P443 HydrophobicContact CE1-CB 4.38Å; F435-P443 HydrophobicContact CE1-CG 4Å; F435-P443 HydrophobicContact CE2-CG 4.32Å; F435-P443 HydrophobicContact CG-CG 3.81Å; F435-P443 HydrophobicContact CZ-CB 4.39Å; F435-P443 HydrophobicContact CZ-CG 4.3Å; F435-D455 HydrophobicContact CZ-CB 4.44Å; F435-K458 HydrophobicContact CD2-CB 4.13Å; F435-K458 HydrophobicContact CE2-CB 3.58Å; F435-K458 HydrophobicContact CE2-CD 4.25Å; F435-L459 HydrophobicContact CB-CD1 4.25Å; F435-L459 HydrophobicContact CD2-CB 4.31Å
436H93.6Very high91.1Very high48 Ų4838.2 Ų38.222%0.22221%0.211CC..Hα-helixtrans-60.4-41.8177.9-179.7-86.7000112V432 D433 R434 L438 S440 R441 Y442V432-H436 PolarHBondContact O-N 2.99Å; D433-H436 WeakPolarHBondContact O-CB 3.45Å; D433-H436 PolarHBondContact O-N 3.44Å; R434-H436 VanDerWaalsContact C-N 3.3Å; R434-H436 PolarHBondContact O-N 3.37Å; H436-L438 PolarHBondContact O-N 2.87Å; H436-S440 WeakPolarHBondContact O-CA 3.45Å; H436-S440 PolarHBondContact O-N 2.98Å; H436-R441 WeakPolarHBondContact CA-O 3.37Å; H436-Y442 HydrophobicContact CB-CD1 4.05Å; H436-Y442 HydrophobicContact CB-CE1 3.88Å; H436-Y442 AromaticContact CD2-CD2 3.82Å; H436-Y442 AromaticContact CD2-CE1 3.92Å; H436-Y442 AromaticContact CD2-CE2 3.67Å; H436-Y442 AromaticContact CD2-CZ 3.72Å
437Q91.8Very high89.3Confident120 Ų12039.6 Ų39.656%0.56122%0.22SC*.Hα-helixtrans-61.3-41.9176.1-171.6-176.411.200112.4D433 R434 F435D433-Q437 PolarHBondContact O-N 2.97Å; R434-Q437 WeakPolarHBondContact O-CB 3.46Å; R434-Q437 PolarHBondContact O-N 2.79Å; F435-Q437 VanDerWaalsContact C-N 3.32Å; F435-Q437 PolarHBondContact O-N 3.47Å
438L93.6Very high87.4Confident110 Ų11048 Ų4858%0.57625%0.252SS*.Hα-helixtrans-77.9-31.5-177.5-67.7174000113.4R434 F435 H436R434-L438 HydrophobicContact CG-CD1 4.2Å; R434-L438 WeakPolarHBondContact O-CG 3.45Å; R434-L438 PolarHBondContact O-N 2.66Å; F435-L438 PolarHBondContact O-N 2.8Å; H436-L438 PolarHBondContact O-N 2.87Å
439H91.4Very high85.6Confident72 Ų7255.3 Ų55.333%0.33329%0.292SS..Hα-helixtrans-115.6-3.6-170.7-60.7-55.8000114.4F435 R441F435-H439 HydrophobicContact CD1-CB 4.27Å; F435-H439 AromaticContact CD1-CD2 3.85Å; F435-H439 AromaticContact CD2-CD2 3.62Å; F435-H439 HydrophobicContact CE1-CB 3.94Å; F435-H439 AromaticContact CE1-CD2 3.79Å; F435-H439 AromaticContact CE2-CD2 3.6Å; F435-H439 AromaticContact CG-CD2 3.76Å; F435-H439 HydrophobicContact CZ-CB 4.39Å; F435-H439 AromaticContact CZ-CD2 3.67Å; F435-H439 WeakPolarHBondContact O-CB 3.31Å; F435-H439 PolarHBondContact O-CD2 3.46Å; F435-H439 PolarHBondContact O-N 2.87Å; H439-R441 HydrophobicContact CB-CG 4.33Å; H439-R441 PolarHBondContact O-N 2.83Å; H439-R441 VanDerWaalsContact O-N 3.12Å
440S90Very high83.8Confident106 Ų10663 Ų6374%0.74132%0.321SS*.SBendtrans54.625.7-177.5-56.50000114.1H436H436-S440 WeakPolarHBondContact O-CA 3.45Å; H436-S440 PolarHBondContact O-N 2.98Å
441R90.3Very high82.3Confident63 Ų6365.4 Ų65.424%0.23833%0.333CS..SBendtrans-156.8158174.265.5172.8-177.177.1-4.8109.8F435 H436 H439 D455F435-R441 VanDerWaalsContact CD1-O 3.25Å; F435-R441 WeakPolarHBondContact CD1-O 3.22Å; F435-R441 HydrophobicContact CE1-CG 4.43Å; F435-R441 VanDerWaalsContact CE1-O 3.3Å; F435-R441 WeakPolarHBondContact CE1-O 3.48Å; H436-R441 WeakPolarHBondContact CA-O 3.37Å; H439-R441 HydrophobicContact CB-CG 4.33Å; H439-R441 PolarHBondContact O-N 2.83Å; H439-R441 VanDerWaalsContact O-N 3.12Å; R441-D455 IonicContact CZ-OD1 2.74Å; R441-D455 IonicContact CZ-OD2 2.64Å; R441-D455 IonicContact NH1-OD1 3.85Å; R441-D455 IonicContact NH1-OD2 2.79Å; R441-D455 PolarHBondContact NH1-OD2 3.27Å; R441-D455 IonicContact NH2-OD1 2.99Å; R441-D455 PolarHBondContact NH2-OD1 2.91Å; R441-D455 IonicContact NH2-OD2 2.81Å; R441-D455 PolarHBondContact NH2-OD2 3.22Å
442Y91.3Very high81.2Confident32 Ų3267.4 Ų67.413%0.12535%0.345CS..  trans-77.4157.6171.1-70.1-71.2000111.9Y156 V432 H436 V444 K445 A489Y156-Y442 HydrophobicContact CE2-CD1 4.09Å; V432-Y442 HydrophobicContact CG1-CD1 3.61Å; V432-Y442 HydrophobicContact CG1-CE1 3.94Å; H436-Y442 HydrophobicContact CB-CD1 4.05Å; H436-Y442 HydrophobicContact CB-CE1 3.88Å; H436-Y442 AromaticContact CD2-CD2 3.82Å; H436-Y442 AromaticContact CD2-CE1 3.92Å; H436-Y442 AromaticContact CD2-CE2 3.67Å; H436-Y442 AromaticContact CD2-CZ 3.72Å; Y442-V444 PolarHBondContact O-N 3.04Å; Y442-K445 HydrophobicContact CD2-CD 4.17Å; Y442-K445 PolarHBondContact O-N 3.42Å; Y442-A489 HydrophobicContact CD1-CB 4.38Å; Y442-A489 HydrophobicContact CD2-CB 3.96Å; Y442-A489 HydrophobicContact CG-CB 3.69Å
443P88.7Confident80.5Confident0 Ų073.7 Ų73.70%037%0.374CS..THydrogen-bonded Turntrans-54.4129.4174.4-2432.9000111.2V432 F435 K445 L459V432-P443 HydrophobicContact CG2-CG 4.28Å; F435-P443 HydrophobicContact CB-CG 4.35Å; F435-P443 HydrophobicContact CD1-CG 3.72Å; F435-P443 HydrophobicContact CD2-CG 4.12Å; F435-P443 HydrophobicContact CE1-CB 4.38Å; F435-P443 HydrophobicContact CE1-CG 4Å; F435-P443 HydrophobicContact CE2-CG 4.32Å; F435-P443 HydrophobicContact CG-CG 3.81Å; F435-P443 HydrophobicContact CZ-CB 4.39Å; F435-P443 HydrophobicContact CZ-CG 4.3Å; P443-K445 PolarHBondContact O-N 3.25Å; P443-L459 HydrophobicContact CG-CD1 4.31Å; P443-L459 HydrophobicContact CG-CD2 4.36Å
444V81.8Confident80.2Confident23 Ų2377.8 Ų77.814%0.13939%0.393CS..THydrogen-bonded Turntrans60.5-3175.8-168.10000115.4Y442 G446 V447 V452 D455 C485Y442-V444 PolarHBondContact O-N 3.04Å; V444-G446 PolarHBondContact O-N 2.91Å; V444-V447 PolarHBondContact O-N 3.44Å; V444-V452 HydrophobicContact CG1-CG2 3.87Å; V444-V452 HydrophobicContact CG2-CG1 4.44Å; V444-V452 HydrophobicContact CG2-CG2 4.35Å; V444-D455 HydrophobicContact CG2-CB 3.99Å; V444-D455 PolarHBondContact N-OD2 3.48Å; V444-C485 WeakPolarHBondContact CB-O 3.26Å; V444-C485 HydrophobicContact CG2-CB 3.89Å; V444-C485 WeakPolarHBondContact CG2-O 3.36Å
445K71.8Confident80Confident87 Ų8776.6 Ų76.638%0.37839%0.389SS..THydrogen-bonded Turntrans-66.6120.6-179.3-171.6177-174.3169.50111.4E67 Y442 P443 V447 A489E67-K445 IonicContact OE1-NZ 3.09Å; Y442-K445 HydrophobicContact CD2-CD 4.17Å; Y442-K445 PolarHBondContact O-N 3.42Å; P443-K445 PolarHBondContact O-N 3.25Å; K445-V447 VanDerWaalsContact C-N 3.34Å; K445-A489 HydrophobicContact CB-CB 4.43Å; K445-A489 HydrophobicContact CD-CB 4.13Å
446G59.4Low79.9Confident83 Ų8377.3 Ų77.386%0.85639%0.392SS*.THydrogen-bonded Turntrans75.819.3177.600000114.3V444V444-G446 PolarHBondContact O-N 2.91Å
447V59.9Low80Confident33 Ų3378.6 Ų78.620%0.241%0.406CS..  trans-118140.5-173.5-168.50000112V444 K445 Q451V444-V447 PolarHBondContact O-N 3.44Å; K445-V447 VanDerWaalsContact C-N 3.34Å; V447-Q451 HydrophobicContact CG1-CB 3.59Å; V447-Q451 VanDerWaalsContact CG1-CD 3.41Å; V447-Q451 HydrophobicContact CG1-CG 3.48Å; V447-Q451 VanDerWaalsContact CG1-CG 3.48Å
448Y57.3Low80.2Confident178 Ų17875.1 Ų75.170%0.69839%0.39SS*.  trans-73.1153.6172-63.9-79.4000111.7Y450 Q451Y448-Y450 HydrophobicContact CD2-CE1 4.27Å; Y448-Y450 HydrophobicContact CG-CE1 4.15Å; Y448-Y450 PolarHBondContact O-N 3.25Å; Y448-Q451 PolarHBondContact O-N 2.9Å
449N60.3Low80.3Confident154 Ų15469.9 Ų69.982%0.82436%0.362SS*.G310 helixtrans-44.7-15.4-169.6-64.7-7.8000118.7V452N449-V452 WeakPolarHBondContact O-CG2 3.46Å
450Y61.2Low80.6Confident167 Ų16769.9 Ų69.966%0.65536%0.361SS*.G310 helixtrans-82.3-14.4-174.955.7-100.4000115.8Y448Y448-Y450 HydrophobicContact CD2-CE1 4.27Å; Y448-Y450 HydrophobicContact CG-CE1 4.15Å; Y448-Y450 PolarHBondContact O-N 3.25Å
451Q64.2Low81Confident59 Ų5970.5 Ų70.528%0.27636%0.355SS..G310 helixtrans-99.72177.3-47.8-171.6-30.300113.9V447 Y448 E453 E454 D455V447-Q451 HydrophobicContact CG1-CB 3.59Å; V447-Q451 VanDerWaalsContact CG1-CD 3.41Å; V447-Q451 HydrophobicContact CG1-CG 3.48Å; V447-Q451 VanDerWaalsContact CG1-CG 3.48Å; Y448-Q451 PolarHBondContact O-N 2.9Å; Q451-E453 VanDerWaalsContact C-N 3.34Å; Q451-E453 PolarHBondContact O-N 3.4Å; Q451-E454 PolarHBondContact O-N 2.92Å; Q451-D455 PolarHBondContact O-N 3.25Å
452V74.3Confident81.3Confident41 Ų4167.7 Ų67.725%0.24835%0.345CS..Hα-helixtrans-59.3-45.4-177.5179.20000111.1V444 N449 E454 D455 I456V444-V452 HydrophobicContact CG1-CG2 3.87Å; V444-V452 HydrophobicContact CG2-CG1 4.44Å; V444-V452 HydrophobicContact CG2-CG2 4.35Å; N449-V452 WeakPolarHBondContact O-CG2 3.46Å; V452-E454 VanDerWaalsContact C-N 3.34Å; V452-E454 PolarHBondContact O-N 3.25Å; V452-D455 PolarHBondContact O-N 2.87Å; V452-I456 HydrophobicContact CG1-CD1 3.91Å; V452-I456 WeakPolarHBondContact O-CD1 3.42Å; V452-I456 VanDerWaalsContact O-CG1 3.25Å; V452-I456 WeakPolarHBondContact O-CG1 3.44Å; V452-I456 PolarHBondContact O-N 2.82Å
453E83.4Confident81.6Confident133 Ų13366.3 Ų66.362%0.62134%0.34SS*.Hα-helixtrans-64.2-35.3178.7-66.3-62.8160.900113.3Q451 S457Q451-E453 VanDerWaalsContact C-N 3.34Å; Q451-E453 PolarHBondContact O-N 3.4Å; E453-S457 PolarHBondContact O-N 3.29Å; E453-S457 PolarHBondContact O-OG 2.88Å
454E88.2Confident82Confident100 Ų10070.3 Ų70.347%0.46736%0.361SS..Hα-helixtrans-69.2-43177.5-168.3-172.3163.700110.9Q451 V452 S457 K458Q451-E454 PolarHBondContact O-N 2.92Å; V452-E454 VanDerWaalsContact C-N 3.34Å; V452-E454 PolarHBondContact O-N 3.25Å; E454-S457 PolarHBondContact O-N 3.43Å; E454-K458 VanDerWaalsContact CD-NZ 3.29Å; E454-K458 HydrophobicContact CG-CD 4.48Å; E454-K458 WeakPolarHBondContact O-CG 3.5Å; E454-K458 PolarHBondContact O-N 2.96Å; E454-K458 WeakPolarHBondContact OE1-CE 3.2Å; E454-K458 IonicContact OE1-NZ 3.52Å; E454-K458 PolarHBondContact OE1-NZ 2.92Å
455D92.1Very high82.7Confident0 Ų071.7 Ų71.70%037%0.372CS..Hα-helixtrans-70.1-33.5179.3-80.60.5000112.7F435 R441 V444 Q451 V452 S457 K458 L459F435-D455 HydrophobicContact CZ-CB 4.44Å; R441-D455 IonicContact CZ-OD1 2.74Å; R441-D455 IonicContact CZ-OD2 2.64Å; R441-D455 IonicContact NH1-OD1 3.85Å; R441-D455 IonicContact NH1-OD2 2.79Å; R441-D455 PolarHBondContact NH1-OD2 3.27Å; R441-D455 IonicContact NH2-OD1 2.99Å; R441-D455 PolarHBondContact NH2-OD1 2.91Å; R441-D455 IonicContact NH2-OD2 2.81Å; R441-D455 PolarHBondContact NH2-OD2 3.22Å; V444-D455 HydrophobicContact CG2-CB 3.99Å; V444-D455 PolarHBondContact N-OD2 3.48Å; Q451-D455 PolarHBondContact O-N 3.25Å; V452-D455 PolarHBondContact O-N 2.87Å; D455-S457 VanDerWaalsContact C-N 3.3Å; D455-S457 PolarHBondContact O-N 3.47Å; D455-K458 PolarHBondContact O-N 2.9Å; D455-L459 VanDerWaalsContact O-CB 3.3Å; D455-L459 WeakPolarHBondContact O-CB 3.4Å; D455-L459 PolarHBondContact O-N 3.31Å
456I94Very high83.9Confident15 Ų1567.7 Ų67.78%0.07736%0.355CS..Hα-helixtrans-56.9-47.9171-71.3157.3000110.1V452 K458 L459 K460 I481 H482 C485V452-I456 HydrophobicContact CG1-CD1 3.91Å; V452-I456 WeakPolarHBondContact O-CD1 3.42Å; V452-I456 VanDerWaalsContact O-CG1 3.25Å; V452-I456 WeakPolarHBondContact O-CG1 3.44Å; V452-I456 PolarHBondContact O-N 2.82Å; I456-K458 PolarHBondContact O-N 2.98Å; I456-L459 PolarHBondContact O-N 3.45Å; I456-K460 WeakPolarHBondContact O-CB 3.38Å; I456-K460 PolarHBondContact O-N 3.04Å; I456-I481 HydrophobicContact CG2-CG2 4.31Å; I456-H482 WeakPolarHBondContact CD1-ND1 3.39Å; I456-C485 HydrophobicContact CG1-CB 3.93Å
457S94.4Very high85.7Confident74 Ų7464.5 Ų64.552%0.51732%0.318SS..Hα-helixtrans-63.4-43.6179.8-61.40000111.7E453 E454 D455 K460 L461E453-S457 PolarHBondContact O-N 3.29Å; E453-S457 PolarHBondContact O-OG 2.88Å; E454-S457 PolarHBondContact O-N 3.43Å; D455-S457 VanDerWaalsContact C-N 3.3Å; D455-S457 PolarHBondContact O-N 3.47Å; S457-K460 PolarHBondContact O-N 2.94Å; S457-L461 WeakPolarHBondContact O-CG 3.09Å; S457-L461 PolarHBondContact O-N 3.49Å; S457-L461 VanDerWaalsContact O-N 3.11Å
458K95.9Very high87.4Confident48 Ų4870.6 Ų70.621%0.20935%0.345CS..Hα-helixtrans-66.4-41.2177.3-73.2172.2-175.6165.60112.8F435 E454 D455 I456 K460 L461 C462F435-K458 HydrophobicContact CD2-CB 4.13Å; F435-K458 HydrophobicContact CE2-CB 3.58Å; F435-K458 HydrophobicContact CE2-CD 4.25Å; E454-K458 VanDerWaalsContact CD-NZ 3.29Å; E454-K458 HydrophobicContact CG-CD 4.48Å; E454-K458 WeakPolarHBondContact O-CG 3.5Å; E454-K458 PolarHBondContact O-N 2.96Å; E454-K458 WeakPolarHBondContact OE1-CE 3.2Å; E454-K458 IonicContact OE1-NZ 3.52Å; E454-K458 PolarHBondContact OE1-NZ 2.92Å; D455-K458 PolarHBondContact O-N 2.9Å; I456-K458 PolarHBondContact O-N 2.98Å; K458-K460 VanDerWaalsContact C-N 3.34Å; K458-L461 WeakPolarHBondContact O-CB 3.39Å; K458-L461 PolarHBondContact O-N 3.2Å; K458-C462 PolarHBondContact O-N 3Å; K458-C462 PolarHBondContact O-SG 2.9Å
459L97Very high89.2Confident0 Ų066.2 Ų66.20%033%0.331CS..Hα-helixtrans-65.3-40.5176.8-177.160.1000110.7M428 A431 V432 F435 P443 D455 I456 L461 C462 V463 I481 F484 C485M428-L459 HydrophobicContact CE-CD2 3.92Å; M428-L459 HydrophobicContact CE-CG 4.35Å; A431-L459 HydrophobicContact CB-CD1 4.32Å; V432-L459 HydrophobicContact CG2-CD1 3.91Å; V432-L459 HydrophobicContact CG2-CD2 4.36Å; F435-L459 HydrophobicContact CB-CD1 4.25Å; F435-L459 HydrophobicContact CD2-CB 4.31Å; P443-L459 HydrophobicContact CG-CD1 4.31Å; P443-L459 HydrophobicContact CG-CD2 4.36Å; D455-L459 VanDerWaalsContact O-CB 3.3Å; D455-L459 WeakPolarHBondContact O-CB 3.4Å; D455-L459 PolarHBondContact O-N 3.31Å; I456-L459 PolarHBondContact O-N 3.45Å; L459-L461 VanDerWaalsContact C-N 3.29Å; L459-L461 PolarHBondContact O-N 3.44Å; L459-C462 WeakPolarHBondContact O-CA 3.11Å; L459-C462 WeakPolarHBondContact O-CB 3.37Å; L459-C462 PolarHBondContact O-N 3Å; L459-V463 WeakPolarHBondContact O-CG2 3.39Å; L459-V463 PolarHBondContact O-N 3.41Å; L459-I481 HydrophobicContact CB-CG2 4.1Å; L459-I481 HydrophobicContact CD2-CG2 3.99Å; L459-I481 HydrophobicContact CG-CG2 4.03Å; L459-F484 HydrophobicContact CD2-CB 4.01Å; L459-C485 VanDerWaalsContact CD2-SG 3.59Å
460K97.2Very high90.9Very high72 Ų7259.1 Ų59.131%0.31329%0.292SS..Hα-helixtrans-58.9-39.1173.2-173.5163.5-178.7163.40112.6I456 S457 K458 V463 N464 D478 I481I456-K460 WeakPolarHBondContact O-CB 3.38Å; I456-K460 PolarHBondContact O-N 3.04Å; S457-K460 PolarHBondContact O-N 2.94Å; K458-K460 VanDerWaalsContact C-N 3.34Å; K460-V463 PolarHBondContact O-N 3.35Å; K460-N464 VanDerWaalsContact O-CG 3.32Å; K460-N464 PolarHBondContact O-N 3.28Å; K460-N464 PolarHBondContact O-ND2 3.02Å; K460-D478 WeakPolarHBondContact CE-OD1 3.2Å; K460-D478 IonicContact NZ-OD1 3.43Å; K460-D478 PolarHBondContact NZ-OD1 3.07Å; K460-D478 IonicContact NZ-OD2 2.82Å; K460-D478 PolarHBondContact NZ-OD2 3.39Å; K460-I481 HydrophobicContact CB-CD1 3.93Å; K460-I481 HydrophobicContact CB-CG2 4.3Å; K460-I481 HydrophobicContact CD-CD1 4.16Å; K460-I481 HydrophobicContact CG-CD1 3.83Å
461L97.2Very high92.5Very high119 Ų11957.5 Ų57.562%0.62330%0.295SS*.Hα-helixtrans-64-39.9172.6-68.1172.5000112.2S457 K458 L459 N464 S465S457-L461 WeakPolarHBondContact O-CG 3.09Å; S457-L461 PolarHBondContact O-N 3.49Å; S457-L461 VanDerWaalsContact O-N 3.11Å; K458-L461 WeakPolarHBondContact O-CB 3.39Å; K458-L461 PolarHBondContact O-N 3.2Å; L459-L461 VanDerWaalsContact C-N 3.29Å; L459-L461 PolarHBondContact O-N 3.44Å; L461-N464 PolarHBondContact O-N 2.87Å; L461-S465 VanDerWaalsContact O-CB 3.28Å; L461-S465 WeakPolarHBondContact O-CB 3.48Å; L461-S465 PolarHBondContact O-N 2.84Å
462C97.8Very high94Very high4 Ų455.2 Ų55.23%0.02728%0.284CS..Hα-helixtrans-64-42.1175.9-63.60000111.8R434 K458 L459 S465 L466R434-C462 HydrophobicContact CB-CB 4.42Å; R434-C462 HydrophobicContact CG-CB 4.3Å; K458-C462 PolarHBondContact O-N 3Å; K458-C462 PolarHBondContact O-SG 2.9Å; L459-C462 WeakPolarHBondContact O-CA 3.11Å; L459-C462 WeakPolarHBondContact O-CB 3.37Å; L459-C462 PolarHBondContact O-N 3Å; C462-S465 PolarHBondContact O-N 3.24Å; C462-L466 WeakPolarHBondContact O-CB 3.48Å; C462-L466 PolarHBondContact O-N 3.06Å
463V97.8Very high94.9Very high3 Ų360.9 Ų60.92%0.01831%0.313CS..Hα-helixtrans-58.1-54.9173.71700000110.4M428 A431 L459 K460 S465 L466 L467 I476 I481M428-V463 HydrophobicContact CE-CG2 4.26Å; M428-V463 HydrophobicContact SD-CG2 3.82Å; A431-V463 HydrophobicContact CB-CB 4.34Å; A431-V463 HydrophobicContact CB-CG2 3.49Å; A431-V463 VanDerWaalsContact CB-CG2 3.49Å; L459-V463 WeakPolarHBondContact O-CG2 3.39Å; L459-V463 PolarHBondContact O-N 3.41Å; K460-V463 PolarHBondContact O-N 3.35Å; V463-S465 VanDerWaalsContact C-N 3.29Å; V463-S465 PolarHBondContact O-N 2.92Å; V463-L466 WeakPolarHBondContact O-CB 3.46Å; V463-L466 PolarHBondContact O-N 2.97Å; V463-L466 VanDerWaalsContact O-N 3.1Å; V463-L467 HydrophobicContact CG1-CD1 4.06Å; V463-L467 HydrophobicContact CG1-CG 4.4Å; V463-L467 WeakPolarHBondContact O-CG 3.26Å; V463-L467 PolarHBondContact O-N 2.6Å; V463-I476 HydrophobicContact CG1-CB 4.41Å; V463-I476 HydrophobicContact CG1-CD1 3.83Å; V463-I476 HydrophobicContact CG1-CG1 4.47Å; V463-I481 HydrophobicContact CG2-CD1 4.49Å; V463-I481 HydrophobicContact CG2-CG1 4.45Å
464N97.1Very high95.4Very high83 Ų8355.5 Ų55.544%0.44429%0.29SS..Hα-helixtrans-60.4-40.1-178.5-69.7-22.9000112.1K460 L461 L467 Q468K460-N464 VanDerWaalsContact O-CG 3.32Å; K460-N464 PolarHBondContact O-N 3.28Å; K460-N464 PolarHBondContact O-ND2 3.02Å; L461-N464 PolarHBondContact O-N 2.87Å; N464-L467 PolarHBondContact O-N 2.81Å; N464-Q468 VanDerWaalsContact O-CB 3.32Å; N464-Q468 WeakPolarHBondContact O-CB 3.42Å; N464-Q468 PolarHBondContact O-N 3.16Å
465S96.8Very high95.6Very high53 Ų5357.1 Ų57.137%0.37130%0.301SS..Hα-helixtrans-62.2-42.4175.5171.60000112.1R434 L461 C462 V463 Q468 E469R434-S465 VanDerWaalsContact NH1-C 3.26Å; R434-S465 PolarHBondContact NH1-O 3.11Å; R434-S465 PolarHBondContact NH1-OG 2.65Å; L461-S465 VanDerWaalsContact O-CB 3.28Å; L461-S465 WeakPolarHBondContact O-CB 3.48Å; L461-S465 PolarHBondContact O-N 2.84Å; C462-S465 PolarHBondContact O-N 3.24Å; V463-S465 VanDerWaalsContact C-N 3.29Å; V463-S465 PolarHBondContact O-N 2.92Å; S465-Q468 PolarHBondContact O-N 3.25Å; S465-E469 WeakPolarHBondContact O-CB 3.2Å; S465-E469 PolarHBondContact O-N 3.42Å
466L96.3Very high95.7Very high2 Ų257.6 Ų57.61%0.0130%0.304CS..Hα-helixtrans-63.4-47.8177.9179.773.7000111.4R430 A431 R434 C462 V463 Q468 E469 Y470R430-L466 HydrophobicContact CB-CD1 4.31Å; R430-L466 HydrophobicContact CB-CD2 3.57Å; A431-L466 HydrophobicContact CB-CD2 4.39Å; R434-L466 VanDerWaalsContact NH1-CA 3.26Å; R434-L466 VanDerWaalsContact NH1-N 3.18Å; R434-L466 VanDerWaalsContact NH2-CD1 3.26Å; C462-L466 WeakPolarHBondContact O-CB 3.48Å; C462-L466 PolarHBondContact O-N 3.06Å; V463-L466 WeakPolarHBondContact O-CB 3.46Å; V463-L466 PolarHBondContact O-N 2.97Å; V463-L466 VanDerWaalsContact O-N 3.1Å; L466-Q468 VanDerWaalsContact C-N 3.3Å; L466-Q468 PolarHBondContact O-N 3.06Å; L466-E469 PolarHBondContact O-N 3.48Å; L466-Y470 HydrophobicContact CD1-CD2 3.83Å; L466-Y470 HydrophobicContact CD1-CE2 3.49Å; L466-Y470 VanDerWaalsContact CD1-CE2 3.49Å; L466-Y470 HydrophobicContact CG-CD2 4.23Å; L466-Y470 HydrophobicContact CG-CE2 4.33Å; L466-Y470 PolarHBondContact O-N 3.45Å
467L96.6Very high95.8Very high17 Ų1760.2 Ų60.29%0.08932%0.315CS..Hα-helixtrans-62.6-40.2178.8-62.6-178.2000111.3L427 V463 N464 N471 L472 V474L427-L467 HydrophobicContact CD1-CD2 4.34Å; V463-L467 HydrophobicContact CG1-CD1 4.06Å; V463-L467 HydrophobicContact CG1-CG 4.4Å; V463-L467 WeakPolarHBondContact O-CG 3.26Å; V463-L467 PolarHBondContact O-N 2.6Å; N464-L467 PolarHBondContact O-N 2.81Å; L467-N471 CarbonylContact O-C 3.57Å; L467-N471 WeakPolarHBondContact O-CA 3.45Å; L467-N471 PolarHBondContact O-N 3.26Å; L467-L472 HydrophobicContact CD2-CB 4.03Å; L467-L472 HydrophobicContact CD2-CD1 4.11Å; L467-L472 PolarHBondContact O-N 2.83Å; L467-V474 HydrophobicContact CD1-CG2 4.23Å; L467-V474 HydrophobicContact CD2-CG2 3.56Å
468Q96.7Very high95.9Very high160 Ų16060.1 Ų60.175%0.74831%0.309SS*.Hα-helixtrans-66.7-42.7176.6-172.7178.21.300112.3N464 S465 L466 N471N464-Q468 VanDerWaalsContact O-CB 3.32Å; N464-Q468 WeakPolarHBondContact O-CB 3.42Å; N464-Q468 PolarHBondContact O-N 3.16Å; S465-Q468 PolarHBondContact O-N 3.25Å; L466-Q468 VanDerWaalsContact C-N 3.3Å; L466-Q468 PolarHBondContact O-N 3.06Å; Q468-N471 PolarHBondContact O-N 3.45Å; Q468-N471 VanDerWaalsContact O-N 3.17Å
469E95.2Very high95.9Very high87 Ų8763.6 Ų63.641%0.40733%0.329SS..Hα-helixtrans-63-44.2180-178.5179.9156.500112.1V404 R434 S465 L466 N471V404-E469 WeakPolarHBondContact CG1-O 3.42Å; V404-E469 HydrophobicContact CG2-CG 3.9Å; R434-E469 IonicContact CZ-OE2 2.69Å; R434-E469 IonicContact NH1-OE2 3.84Å; R434-E469 PolarHBondContact NH1-OE2 2.86Å; R434-E469 IonicContact NH2-OE1 2.84Å; R434-E469 IonicContact NH2-OE2 3.93Å; R434-E469 PolarHBondContact NH2-OE2 2.8Å; S465-E469 WeakPolarHBondContact O-CB 3.2Å; S465-E469 PolarHBondContact O-N 3.42Å; L466-E469 PolarHBondContact O-N 3.48Å; E469-N471 VanDerWaalsContact C-N 3.26Å; E469-N471 PolarHBondContact O-N 2.93Å
470Y95.3Very high95.9Very high5 Ų564.8 Ų64.82%0.0233%0.334CS..Hα-helixtrans-82.1-3.5176.1-66.4-33.3000113.8Y402 V404 V407 K409 R430 L466 L472Y402-Y470 WeakPolarHBondContact O-CE1 3.44Å; Y402-Y470 PolarHBondContact O-OH 3.32Å; V404-Y470 HydrophobicContact CB-CD1 4.38Å; V404-Y470 HydrophobicContact CG2-CD1 3.99Å; V404-Y470 HydrophobicContact CG2-CE1 3.9Å; V407-Y470 HydrophobicContact CG1-CD1 3.98Å; V407-Y470 HydrophobicContact CG1-CE1 4.48Å; V407-Y470 HydrophobicContact CG1-CG 4.24Å; K409-Y470 VanDerWaalsContact CD-O 3.31Å; K409-Y470 WeakPolarHBondContact CD-O 3.38Å; K409-Y470 WeakPolarHBondContact CE-O 3.15Å; K409-Y470 PolarHBondContact NZ-O 2.96Å; R430-Y470 PolarHBondContact NH1-OH 2.98Å; R430-Y470 PolarHBondContact NH2-OH 2.85Å; L466-Y470 HydrophobicContact CD1-CD2 3.83Å; L466-Y470 HydrophobicContact CD1-CE2 3.49Å; L466-Y470 VanDerWaalsContact CD1-CE2 3.49Å; L466-Y470 HydrophobicContact CG-CD2 4.23Å; L466-Y470 HydrophobicContact CG-CE2 4.33Å; L466-Y470 PolarHBondContact O-N 3.45Å; Y470-L472 VanDerWaalsContact C-N 3.31Å; Y470-L472 HydrophobicContact CD2-CD1 4.29Å
471N95.8Very high95.9Very high133 Ų13361.6 Ų61.671%0.71132%0.32SS*.THydrogen-bonded Turntrans54.546-174.8-168.643000112.2L467 Q468 E469L467-N471 CarbonylContact O-C 3.57Å; L467-N471 WeakPolarHBondContact O-CA 3.45Å; L467-N471 PolarHBondContact O-N 3.26Å; Q468-N471 PolarHBondContact O-N 3.45Å; Q468-N471 VanDerWaalsContact O-N 3.17Å; E469-N471 VanDerWaalsContact C-N 3.26Å; E469-N471 PolarHBondContact O-N 2.93Å
472L95.1Very high95.8Very high10 Ų1059.9 Ų59.95%0.05231%0.309CS..  trans-94.1116.7178.6-65.5171.1000109.7K409 I412 L427 L467 Y470 V474K409-L472 HydrophobicContact CB-CD2 4.01Å; K409-L472 HydrophobicContact CG-CD2 4.09Å; I412-L472 HydrophobicContact CB-CD2 4.34Å; I412-L472 HydrophobicContact CD1-CD1 4.43Å; I412-L472 HydrophobicContact CG2-CD1 4.05Å; I412-L472 HydrophobicContact CG2-CD2 4.09Å; L427-L472 HydrophobicContact CD2-CD1 4.11Å; L467-L472 HydrophobicContact CD2-CB 4.03Å; L467-L472 HydrophobicContact CD2-CD1 4.11Å; L467-L472 PolarHBondContact O-N 2.83Å; Y470-L472 VanDerWaalsContact C-N 3.31Å; Y470-L472 HydrophobicContact CD2-CD1 4.29Å; L472-V474 VanDerWaalsContact C-N 3.29Å; L472-V474 HydrophobicContact CB-CG2 4.2Å; L472-V474 PolarHBondContact O-N 2.88Å
473N92.4Very high95.7Very high160 Ų16061.5 Ų61.586%0.85632%0.316SS*.  trans-90.861.9176.9-171.132.4000111.2
474V94Very high95.6Very high21 Ų2161.4 Ų61.413%0.12732%0.316CS..  trans-119.5150-179.6-59.40000110.2M416 L427 L467 L472M416-V474 HydrophobicContact CB-CB 3.98Å; M416-V474 HydrophobicContact CB-CG1 3.59Å; M416-V474 HydrophobicContact CE-CB 4.44Å; M416-V474 HydrophobicContact CG-CB 4.25Å; M416-V474 HydrophobicContact CG-CG1 4.04Å; L427-V474 HydrophobicContact CD1-CG2 4.09Å; L467-V474 HydrophobicContact CD1-CG2 4.23Å; L467-V474 HydrophobicContact CD2-CG2 3.56Å; L472-V474 VanDerWaalsContact C-N 3.29Å; L472-V474 HydrophobicContact CB-CG2 4.2Å; L472-V474 PolarHBondContact O-N 2.88Å
475N91.9Very high95.4Very high133 Ų13357.5 Ų57.571%0.71129%0.294SS*.  trans-108.3120.2178.7-176.246.3000110.5
476I95.6Very high95.2Very high11 Ų1163.8 Ų63.86%0.05631%0.31CS..  trans-97.3124.6173.9-60.6-173.7000108.4M416 V424 L427 M428 V463 Y480M416-I476 HydrophobicContact CE-CG1 4.27Å; V424-I476 HydrophobicContact CG2-CB 4.47Å; V424-I476 HydrophobicContact CG2-CD1 4.4Å; V424-I476 HydrophobicContact CG2-CG1 4.19Å; V424-I476 HydrophobicContact CG2-CG2 3.8Å; L427-I476 HydrophobicContact CB-CD1 3.8Å; L427-I476 HydrophobicContact CD1-CD1 4.03Å; M428-I476 HydrophobicContact SD-CD1 4.41Å; M428-I476 HydrophobicContact SD-CG2 3.87Å; V463-I476 HydrophobicContact CG1-CB 4.41Å; V463-I476 HydrophobicContact CG1-CD1 3.83Å; V463-I476 HydrophobicContact CG1-CG1 4.47Å; I476-Y480 HydrophobicContact CG2-CD2 4.26Å
477K96Very high95.1Very high69 Ų6964.6 Ų64.630%0.331%0.313SS..  trans-62.2138.6177.2-60.9177.3-173.91680110.2D420 D479 Y480D420-K477 IonicContact OD1-NZ 3.99Å; D420-K477 PolarHBondContact OD1-NZ 3.45Å; D420-K477 IonicContact OD2-NZ 3.59Å; D420-K477 PolarHBondContact OD2-NZ 3.43Å; K477-D479 PolarHBondContact O-N 3.23Å; K477-D479 VanDerWaalsContact O-N 3.14Å; K477-Y480 HydrophobicContact CB-CD2 3.84Å; K477-Y480 HydrophobicContact CB-CE2 4.06Å; K477-Y480 HydrophobicContact CD-CE2 4.14Å; K477-Y480 HydrophobicContact CG-CE2 4.3Å; K477-Y480 PolarHBondContact O-N 3.04Å; K477-Y480 VanDerWaalsContact O-N 3.08Å
478D95.8Very high94.9Very high73 Ų7364.7 Ų64.739%0.3932%0.318SS..Hα-helixtrans-57.1-30.9177.4-78.8-9.7000111.9K460 Y480 I481 H482K460-D478 WeakPolarHBondContact CE-OD1 3.2Å; K460-D478 IonicContact NZ-OD1 3.43Å; K460-D478 PolarHBondContact NZ-OD1 3.07Å; K460-D478 IonicContact NZ-OD2 2.82Å; K460-D478 PolarHBondContact NZ-OD2 3.39Å; D478-Y480 PolarHBondContact O-N 3.19Å; D478-I481 WeakPolarHBondContact O-CA 3.33Å; D478-I481 WeakPolarHBondContact O-CB 3.38Å; D478-I481 PolarHBondContact O-N 2.93Å; D478-H482 PolarHBondContact O-CD2 3.23Å; D478-H482 PolarHBondContact O-N 3.5Å
479D96.1Very high94.7Very high120 Ų12057.6 Ų57.664%0.64229%0.287SS*.Hα-helixtrans-51.6-39.3175.9-63.7-20.9000112.7K477 H482 E483K477-D479 PolarHBondContact O-N 3.23Å; K477-D479 VanDerWaalsContact O-N 3.14Å; D479-H482 PolarHBondContact O-N 3.08Å; D479-E483 WeakPolarHBondContact O-CB 3.42Å; D479-E483 PolarHBondContact O-N 2.84Å
480Y97.1Very high94.7Very high26 Ų2655.7 Ų55.710%0.10229%0.286CS..Hα-helixtrans-69.6-35.6177.3-65.2-62.3000112.5D420 V424 F425 I476 K477 D478 E483 F484D420-Y480 WeakPolarHBondContact CA-OH 3.45Å; D420-Y480 PolarHBondContact OD1-OH 3.12Å; V424-Y480 HydrophobicContact CB-CE2 4.45Å; V424-Y480 HydrophobicContact CG1-CD1 4.2Å; V424-Y480 HydrophobicContact CG1-CD2 4.27Å; V424-Y480 HydrophobicContact CG1-CE1 3.92Å; V424-Y480 HydrophobicContact CG1-CE2 3.98Å; V424-Y480 HydrophobicContact CG1-CG 4.37Å; V424-Y480 HydrophobicContact CG2-CD2 3.66Å; V424-Y480 HydrophobicContact CG2-CE2 3.92Å; V424-Y480 HydrophobicContact CG2-CG 4.1Å; F425-Y480 AromaticContact CE1-CD1 3.78Å; F425-Y480 HydrophobicContact CE1-CD1 3.78Å; F425-Y480 AromaticContact CE1-CE1 3.71Å; F425-Y480 HydrophobicContact CE1-CE1 3.71Å; F425-Y480 HydrophobicContact CZ-CD1 4.45Å; F425-Y480 AromaticContact CZ-CE1 3.91Å; F425-Y480 HydrophobicContact CZ-CE1 3.91Å; I476-Y480 HydrophobicContact CG2-CD2 4.26Å; K477-Y480 HydrophobicContact CB-CD2 3.84Å; K477-Y480 HydrophobicContact CB-CE2 4.06Å; K477-Y480 HydrophobicContact CD-CE2 4.14Å; K477-Y480 HydrophobicContact CG-CE2 4.3Å; K477-Y480 PolarHBondContact O-N 3.04Å; K477-Y480 VanDerWaalsContact O-N 3.08Å; D478-Y480 PolarHBondContact O-N 3.19Å; Y480-E483 PolarHBondContact O-N 3.36Å; Y480-F484 VanDerWaalsContact O-CD2 3.27Å; Y480-F484 WeakPolarHBondContact O-CD2 3.47Å; Y480-F484 PolarHBondContact O-N 3.1Å
481I97Very high94.8Very high4 Ų456.6 Ų56.62%0.02129%0.291CS..Hα-helixtrans-66.2-45.2177.1-55.7175.8000109.7M428 I456 L459 K460 V463 D478 F484 C485M428-I481 HydrophobicContact CE-CB 4.37Å; M428-I481 HydrophobicContact CE-CG1 4.07Å; M428-I481 HydrophobicContact SD-CG1 4.18Å; I456-I481 HydrophobicContact CG2-CG2 4.31Å; L459-I481 HydrophobicContact CB-CG2 4.1Å; L459-I481 HydrophobicContact CD2-CG2 3.99Å; L459-I481 HydrophobicContact CG-CG2 4.03Å; K460-I481 HydrophobicContact CB-CD1 3.93Å; K460-I481 HydrophobicContact CB-CG2 4.3Å; K460-I481 HydrophobicContact CD-CD1 4.16Å; K460-I481 HydrophobicContact CG-CD1 3.83Å; V463-I481 HydrophobicContact CG2-CD1 4.49Å; V463-I481 HydrophobicContact CG2-CG1 4.45Å; D478-I481 WeakPolarHBondContact O-CA 3.33Å; D478-I481 WeakPolarHBondContact O-CB 3.38Å; D478-I481 PolarHBondContact O-N 2.93Å; I481-F484 PolarHBondContact O-N 3.26Å; I481-C485 PolarHBondContact O-N 3.36Å; I481-C485 VanDerWaalsContact O-N 3.15Å; I481-C485 PolarHBondContact O-SG 2.55Å
482H95.1Very high95Very high84 Ų8452 Ų5239%0.38927%0.268SS..Hα-helixtrans-59.7-46.4174.2-76.1-80000111.5I456 D478 D479 C485 R486I456-H482 WeakPolarHBondContact CD1-ND1 3.39Å; D478-H482 PolarHBondContact O-CD2 3.23Å; D478-H482 PolarHBondContact O-N 3.5Å; D479-H482 PolarHBondContact O-N 3.08Å; H482-C485 PolarHBondContact O-N 2.95Å; H482-R486 WeakPolarHBondContact O-CB 3.24Å; H482-R486 PolarHBondContact O-N 3.49Å
483E95.4Very high95.1Very high38 Ų3854.7 Ų54.718%0.17828%0.28CS..Hα-helixtrans-66.5-38.9-178.2-17067-175.400112.3D479 Y480 C485 R486 Y487 M527D479-E483 WeakPolarHBondContact O-CB 3.42Å; D479-E483 PolarHBondContact O-N 2.84Å; Y480-E483 PolarHBondContact O-N 3.36Å; E483-C485 VanDerWaalsContact C-N 3.32Å; E483-C485 PolarHBondContact O-N 2.83Å; E483-R486 WeakPolarHBondContact O-CB 3.42Å; E483-R486 PolarHBondContact O-N 3.19Å; E483-R486 VanDerWaalsContact O-N 3.14Å; E483-R486 IonicContact OE1-CZ 2.91Å; E483-R486 IonicContact OE1-NH1 3.97Å; E483-R486 PolarHBondContact OE1-NH1 2.71Å; E483-R486 VanDerWaalsContact OE1-NH1 3.09Å; E483-R486 WeakPolarHBondContact OE2-CD 3.43Å; E483-R486 IonicContact OE2-CZ 2.75Å; E483-R486 IonicContact OE2-NE 2.68Å; E483-R486 IonicContact OE2-NH1 3.66Å; E483-R486 PolarHBondContact OE2-NH1 2.85Å; E483-Y487 HydrophobicContact CG-CE1 3.79Å; E483-Y487 HydrophobicContact CG-CE2 4.15Å; E483-Y487 WeakPolarHBondContact CG-OH 3.37Å; E483-Y487 PolarHBondContact O-N 3.34Å; E483-Y487 VanDerWaalsContact OE1-CE1 3.28Å; E483-Y487 WeakPolarHBondContact OE1-CE1 3.48Å; E483-M527 HydrophobicContact CG-SD 3.98Å
484F96Very high95.4Very high1 Ų152.2 Ų52.20%0.00427%0.271CS..Hα-helixtrans-67.7-30.5175.4-90.2-110.2000113.5Y156 I159 F425 M428 L429 V432 L459 Y480 I481 Y487Y156-F484 AromaticContact CD1-CD1 3.7Å; Y156-F484 HydrophobicContact CD1-CD1 3.7Å; Y156-F484 AromaticContact CD1-CE1 3.87Å; Y156-F484 HydrophobicContact CD1-CE1 3.87Å; Y156-F484 HydrophobicContact CE1-CB 4.38Å; Y156-F484 AromaticContact CE1-CD1 3.56Å; Y156-F484 HydrophobicContact CE1-CD1 3.56Å; Y156-F484 HydrophobicContact CE1-CE1 4.22Å; Y156-F484 HydrophobicContact CE1-CG 4.26Å; Y156-F484 WeakPolarHBondContact CE1-O 3.5Å; Y156-F484 PolarHBondContact OH-O 3.18Å; I159-F484 HydrophobicContact CG1-CE2 4.27Å; I159-F484 HydrophobicContact CG1-CZ 3.94Å; F425-F484 HydrophobicContact CB-CZ 4.42Å; F425-F484 AromaticContact CD1-CE2 3.79Å; F425-F484 HydrophobicContact CD1-CE2 3.79Å; F425-F484 HydrophobicContact CD1-CZ 4.09Å; F425-F484 HydrophobicContact CE1-CE2 4.42Å; M428-F484 HydrophobicContact CB-CD1 3.9Å; M428-F484 HydrophobicContact CB-CD2 3.93Å; M428-F484 HydrophobicContact CB-CE1 3.56Å; M428-F484 HydrophobicContact CB-CE2 3.6Å; M428-F484 HydrophobicContact CB-CG 4.06Å; M428-F484 HydrophobicContact CB-CZ 3.39Å; M428-F484 HydrophobicContact CE-CB 3.81Å; M428-F484 HydrophobicContact CE-CD1 4.4Å; M428-F484 HydrophobicContact CE-CD2 4.06Å; M428-F484 HydrophobicContact CE-CG 3.82Å; M428-F484 HydrophobicContact CG-CD2 4.15Å; M428-F484 HydrophobicContact CG-CE2 4.01Å; M428-F484 HydrophobicContact CG-CZ 4.29Å; L429-F484 HydrophobicContact CD2-CE1 4.05Å; L429-F484 HydrophobicContact CG-CE1 4.12Å; V432-F484 HydrophobicContact CG2-CB 4.47Å; V432-F484 HydrophobicContact CG2-CD1 3.73Å; L459-F484 HydrophobicContact CD2-CB 4.01Å; Y480-F484 VanDerWaalsContact O-CD2 3.27Å; Y480-F484 WeakPolarHBondContact O-CD2 3.47Å; Y480-F484 PolarHBondContact O-N 3.1Å; I481-F484 PolarHBondContact O-N 3.26Å; F484-Y487 HydrophobicContact CD2-CD2 4.36Å; F484-Y487 HydrophobicContact CD2-CE2 4.14Å; F484-Y487 HydrophobicContact CE2-CE2 4.19Å; F484-Y487 HydrophobicContact CG-CD2 4.33Å
485C93.9Very high95.6Very high0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-69.7-42.3169.4-67.40000110.9V444 I456 L459 I481 H482 E483 Y487 G488V444-C485 WeakPolarHBondContact CB-O 3.26Å; V444-C485 HydrophobicContact CG2-CB 3.89Å; V444-C485 WeakPolarHBondContact CG2-O 3.36Å; I456-C485 HydrophobicContact CG1-CB 3.93Å; L459-C485 VanDerWaalsContact CD2-SG 3.59Å; I481-C485 PolarHBondContact O-N 3.36Å; I481-C485 VanDerWaalsContact O-N 3.15Å; I481-C485 PolarHBondContact O-SG 2.55Å; H482-C485 PolarHBondContact O-N 2.95Å; E483-C485 VanDerWaalsContact C-N 3.32Å; E483-C485 PolarHBondContact O-N 2.83Å; C485-Y487 VanDerWaalsContact C-N 3.26Å; C485-Y487 PolarHBondContact O-N 2.74Å; C485-G488 PolarHBondContact O-N 3.41Å; C485-G488 VanDerWaalsContact O-N 3.08Å
486R92.6Very high96Very high186 Ų18645 Ų4570%0.70223%0.232SC*.Hα-helixtrans-60.4-34.9177.3-176.7-168.4173.2-158.6-3.2112.5H482 E483 G488H482-R486 WeakPolarHBondContact O-CB 3.24Å; H482-R486 PolarHBondContact O-N 3.49Å; E483-R486 WeakPolarHBondContact O-CB 3.42Å; E483-R486 PolarHBondContact O-N 3.19Å; E483-R486 VanDerWaalsContact O-N 3.14Å; E483-R486 IonicContact OE1-CZ 2.91Å; E483-R486 IonicContact OE1-NH1 3.97Å; E483-R486 PolarHBondContact OE1-NH1 2.71Å; E483-R486 VanDerWaalsContact OE1-NH1 3.09Å; E483-R486 WeakPolarHBondContact OE2-CD 3.43Å; E483-R486 IonicContact OE2-CZ 2.75Å; E483-R486 IonicContact OE2-NE 2.68Å; E483-R486 IonicContact OE2-NH1 3.66Å; E483-R486 PolarHBondContact OE2-NH1 2.85Å; R486-G488 PolarHBondContact O-N 3.24Å
487Y94.1Very high96.1Very high18 Ų1845.8 Ų45.87%0.07124%0.24CC..Hα-helixtrans-61.5-29.1175.3-66.9-27.2000113.7Y156 L158 I159 E483 F484 C485 A489 A490 M527Y156-Y487 AromaticContact CD1-CD2 3.89Å; Y156-Y487 HydrophobicContact CD1-CD2 3.89Å; Y156-Y487 HydrophobicContact CE1-CD2 4.09Å; L158-Y487 HydrophobicContact CB-CE1 4Å; L158-Y487 HydrophobicContact CD1-CE1 4.27Å; L158-Y487 HydrophobicContact CG-CE1 3.97Å; I159-Y487 HydrophobicContact CG1-CE2 4.01Å; E483-Y487 HydrophobicContact CG-CE1 3.79Å; E483-Y487 HydrophobicContact CG-CE2 4.15Å; E483-Y487 WeakPolarHBondContact CG-OH 3.37Å; E483-Y487 PolarHBondContact O-N 3.34Å; E483-Y487 VanDerWaalsContact OE1-CE1 3.28Å; E483-Y487 WeakPolarHBondContact OE1-CE1 3.48Å; F484-Y487 HydrophobicContact CD2-CD2 4.36Å; F484-Y487 HydrophobicContact CD2-CE2 4.14Å; F484-Y487 HydrophobicContact CE2-CE2 4.19Å; F484-Y487 HydrophobicContact CG-CD2 4.33Å; C485-Y487 VanDerWaalsContact C-N 3.26Å; C485-Y487 PolarHBondContact O-N 2.74Å; Y487-A489 PolarHBondContact O-N 2.9Å; Y487-A489 VanDerWaalsContact O-N 3.09Å; Y487-A490 WeakPolarHBondContact O-CB 3.44Å; Y487-A490 PolarHBondContact O-N 3.37Å; Y487-M527 WeakPolarHBondContact OH-CE 3.25Å; Y487-M527 PolarHBondContact OH-SD 2.79Å
488G91.6Very high96.2Very high19 Ų1946.1 Ų46.120%0.19624%0.242CC..THydrogen-bonded Turntrans56.928.2176.600000114.5C485 R486 A490C485-G488 PolarHBondContact O-N 3.41Å; C485-G488 VanDerWaalsContact O-N 3.08Å; R486-G488 PolarHBondContact O-N 3.24Å; G488-A490 PolarHBondContact O-N 3.06Å
489A93.5Very high96.4Very high12 Ų1242.7 Ų42.710%0.09922%0.223CC..THydrogen-bonded Turntrans54.130.8-171.400000114.8Y156 Y442 K445 Y487Y156-A489 HydrophobicContact CD2-CB 4.1Å; Y156-A489 VanDerWaalsContact CE2-CA 3.44Å; Y156-A489 HydrophobicContact CE2-CB 3.4Å; Y442-A489 HydrophobicContact CD1-CB 4.38Å; Y442-A489 HydrophobicContact CD2-CB 3.96Å; Y442-A489 HydrophobicContact CG-CB 3.69Å; K445-A489 HydrophobicContact CB-CB 4.43Å; K445-A489 HydrophobicContact CD-CB 4.13Å; Y487-A489 PolarHBondContact O-N 2.9Å; Y487-A489 VanDerWaalsContact O-N 3.09Å
490A95Very high96.5Very high47 Ų4737 Ų3739%0.38819%0.193SC..  trans-63.7151.3172.600000111.2G157 Y487 G488 P492G157-A490 PolarHBondContact N-O 3.04Å; Y487-A490 WeakPolarHBondContact O-CB 3.44Å; Y487-A490 PolarHBondContact O-N 3.37Å; G488-A490 PolarHBondContact O-N 3.06Å; A490-P492 VanDerWaalsContact C-CD 3.49Å; A490-P492 WeakPolarHBondContact O-CD 3Å
491E97.6Very high96.6Very high24 Ų2437.2 Ų37.211%0.11220%0.204CC..  trans-116.681.7171.8-176.4-173.6-143.900108.9T38 A39 T40 N71 T155 H493 S496T38-E491 WeakPolarHBondContact CB-OE1 3.33Å; T38-E491 VanDerWaalsContact CB-OE2 3.26Å; T38-E491 WeakPolarHBondContact CB-OE2 3.45Å; T38-E491 PolarHBondContact OG1-OE1 3.19Å; A39-E491 HydrophobicContact CB-CG 4.28Å; A39-E491 PolarHBondContact N-OE1 2.94Å; A39-E491 PolarHBondContact N-OE2 3.4Å; A39-E491 VanDerWaalsContact N-OE2 3.16Å; T40-E491 WeakPolarHBondContact CB-OE1 3.44Å; T40-E491 PolarHBondContact N-OE1 2.95Å; T40-E491 PolarHBondContact OG1-OE1 3.39Å; N71-E491 PolarHBondContact ND2-O 3.47Å; N71-E491 PolarHBondContact ND2-OE2 3.11Å; T155-E491 HydrophobicContact CG2-CG 4.01Å; E491-H493 PolarHBondContact O-N 3.14Å; E491-S496 WeakPolarHBondContact CG-OG 3.36Å
492P98.2Very high96.7Very high37 Ų3738.6 Ų38.624%0.2421%0.213CC..  trans-60.7129.5175.9-23.635.4000111G157 A490 T494 V495 S496G157-P492 WeakPolarHBondContact O-CD 3.34Å; G157-P492 VanDerWaalsContact O-CG 3.29Å; G157-P492 WeakPolarHBondContact O-CG 3.26Å; A490-P492 VanDerWaalsContact C-CD 3.49Å; A490-P492 WeakPolarHBondContact O-CD 3Å; P492-T494 VanDerWaalsContact C-N 3.27Å; P492-T494 PolarHBondContact O-N 3.44Å; P492-V495 HydrophobicContact CB-CG2 4.13Å; P492-V495 PolarHBondContact O-N 3.36Å; P492-S496 PolarHBondContact O-N 2.95Å; P492-S496 PolarHBondContact O-OG 2.66Å
493H98.6Very high96.8Very high66 Ų6634.6 Ų34.631%0.30620%0.195SC..Hα-helixtrans-58.4-37.3-175.9-176.177.9000112.9E43 N71 E491 V495 S496 A497E43-H493 IonicContact OE1-CE1 3.95Å; N71-H493 PolarHBondContact O-ND1 2.89Å; E491-H493 PolarHBondContact O-N 3.14Å; H493-V495 PolarHBondContact O-N 3.08Å; H493-S496 CarbonylContact O-C 3.59Å; H493-S496 WeakPolarHBondContact O-CB 3.21Å; H493-S496 PolarHBondContact O-N 2.83Å; H493-A497 WeakPolarHBondContact O-CB 3.28Å; H493-A497 PolarHBondContact O-N 3.36Å
494T98.5Very high97Very high107 Ų10732.8 Ų32.866%0.65619%0.187SC*.Hα-helixtrans-65.2-38.3-179.7490000113.1P492 F498P492-T494 VanDerWaalsContact C-N 3.27Å; P492-T494 PolarHBondContact O-N 3.44Å; T494-F498 PolarHBondContact O-N 3.06Å; T494-F498 VanDerWaalsContact O-N 3.1Å
495V98.7Very high97.1Very high3 Ų336.1 Ų36.12%0.01820%0.202CC..Hα-helixtrans-71.1-40.2175.4-175.70000109.9T155 L158 P492 H493 A497 F498 L499 Y524 A526T155-V495 HydrophobicContact CG2-CB 3.9Å; T155-V495 HydrophobicContact CG2-CG1 3.73Å; L158-V495 HydrophobicContact CD2-CG2 3.99Å; P492-V495 HydrophobicContact CB-CG2 4.13Å; P492-V495 PolarHBondContact O-N 3.36Å; H493-V495 PolarHBondContact O-N 3.08Å; V495-A497 VanDerWaalsContact C-N 3.32Å; V495-A497 PolarHBondContact O-N 2.87Å; V495-F498 PolarHBondContact O-N 3.41Å; V495-L499 WeakPolarHBondContact O-CB 3.29Å; V495-L499 PolarHBondContact O-N 3.26Å; V495-Y524 HydrophobicContact CG1-CD1 4.34Å; V495-Y524 HydrophobicContact CG1-CE1 4.42Å; V495-A526 HydrophobicContact CG2-CB 3.89Å
496S98.7Very high97.4Very high0 Ų037 Ų370%021%0.206CC..Hα-helixtrans-60.7-40.3175.2-52.80000111.9T40 E491 P492 H493 G500T40-S496 WeakPolarHBondContact OG1-CB 3.43Å; T40-S496 PolarHBondContact OG1-OG 3.49Å; E491-S496 WeakPolarHBondContact CG-OG 3.36Å; P492-S496 PolarHBondContact O-N 2.95Å; P492-S496 PolarHBondContact O-OG 2.66Å; H493-S496 CarbonylContact O-C 3.59Å; H493-S496 WeakPolarHBondContact O-CB 3.21Å; H493-S496 PolarHBondContact O-N 2.83Å; S496-G500 WeakPolarHBondContact O-CA 3.35Å; S496-G500 PolarHBondContact O-N 3.35Å
497A98.8Very high97.7Very high28 Ų2828.2 Ų28.223%0.23117%0.173CC..Hα-helixtrans-69.9-41.3177.800000112.4E43 H493 V495 G500 G501E43-A497 HydrophobicContact CG-CB 4.16Å; E43-A497 WeakPolarHBondContact OE2-CA 2.77Å; E43-A497 WeakPolarHBondContact OE2-CB 3.29Å; H493-A497 WeakPolarHBondContact O-CB 3.28Å; H493-A497 PolarHBondContact O-N 3.36Å; V495-A497 VanDerWaalsContact C-N 3.32Å; V495-A497 PolarHBondContact O-N 2.87Å; A497-G500 PolarHBondContact O-N 3.47Å; A497-G501 PolarHBondContact O-N 3.45Å
498F98.8Very high97.9Very high76 Ų7627.7 Ų27.733%0.33317%0.171SC..Hα-helixtrans-58.9-48.6172.7176.1-85.3000111.2T494 V495 G500 G501 S502 F522 Y524T494-F498 PolarHBondContact O-N 3.06Å; T494-F498 VanDerWaalsContact O-N 3.1Å; V495-F498 PolarHBondContact O-N 3.41Å; F498-G500 VanDerWaalsContact C-N 3.28Å; F498-G500 PolarHBondContact O-N 2.94Å; F498-G501 PolarHBondContact O-N 3.29Å; F498-S502 PolarHBondContact O-N 2.95Å; F498-S502 VanDerWaalsContact O-N 3.13Å; F498-S502 PolarHBondContact O-OG 2.78Å; F498-F522 HydrophobicContact CE1-CE1 4.07Å; F498-F522 HydrophobicContact CE1-CZ 4.14Å; F498-F522 HydrophobicContact CZ-CZ 4.39Å; F498-Y524 HydrophobicContact CB-CE1 4.07Å; F498-Y524 AromaticContact CD1-CD1 3.3Å; F498-Y524 HydrophobicContact CD1-CD1 3.3Å; F498-Y524 HydrophobicContact CD1-CD2 4.12Å; F498-Y524 AromaticContact CD1-CE1 3.55Å; F498-Y524 HydrophobicContact CD1-CE1 3.55Å; F498-Y524 HydrophobicContact CD1-CE2 4.35Å; F498-Y524 AromaticContact CD1-CG 3.61Å; F498-Y524 HydrophobicContact CD1-CG 3.61Å; F498-Y524 HydrophobicContact CD2-CE1 4.23Å; F498-Y524 HydrophobicContact CD2-CE2 4.37Å; F498-Y524 AromaticContact CE1-CD1 3.6Å; F498-Y524 HydrophobicContact CE1-CD1 3.6Å; F498-Y524 AromaticContact CE1-CD2 3.6Å; F498-Y524 HydrophobicContact CE1-CD2 3.6Å; F498-Y524 HydrophobicContact CE1-CE1 4.05Å; F498-Y524 HydrophobicContact CE1-CE2 4.08Å; F498-Y524 AromaticContact CE1-CG 3.33Å; F498-Y524 HydrophobicContact CE1-CG 3.33Å; F498-Y524 HydrophobicContact CE2-CD2 4.34Å; F498-Y524 HydrophobicContact CE2-CE2 4.08Å; F498-Y524 AromaticContact CG-CD1 3.94Å; F498-Y524 HydrophobicContact CG-CD1 3.94Å; F498-Y524 AromaticContact CG-CE1 3.66Å; F498-Y524 HydrophobicContact CG-CE1 3.66Å; F498-Y524 HydrophobicContact CG-CG 4.45Å; F498-Y524 AromaticContact CG-CZ 3.98Å; F498-Y524 HydrophobicContact CZ-CD1 4.4Å; F498-Y524 AromaticContact CZ-CD2 3.72Å; F498-Y524 HydrophobicContact CZ-CD2 3.72Å; F498-Y524 AromaticContact CZ-CE2 3.93Å; F498-Y524 HydrophobicContact CZ-CE2 3.93Å; F498-Y524 AromaticContact CZ-CG 3.97Å; F498-Y524 HydrophobicContact CZ-CG 3.97Å
499L98.6Very high98.2Very high0 Ų028.3 Ų28.30%017%0.169CC..Hα-helixtrans-65.5-36.6177.6-165.461.8000110.9T40 C153 K154 M162 V495 S502 A503T40-L499 HydrophobicContact CG2-CD2 3.87Å; T40-L499 HydrophobicContact CG2-CG 4.38Å; C153-L499 HydrophobicContact CB-CD2 4.1Å; K154-L499 WeakPolarHBondContact O-CD2 3.33Å; M162-L499 HydrophobicContact CB-CD1 4.1Å; V495-L499 WeakPolarHBondContact O-CB 3.29Å; V495-L499 PolarHBondContact O-N 3.26Å; L499-S502 PolarHBondContact O-N 3.43Å; L499-A503 WeakPolarHBondContact O-CB 3.25Å; L499-A503 PolarHBondContact O-N 3.39Å
500G98.8Very high98.5Very high0 Ų027.9 Ų27.90%017%0.165CC..Hα-helixtrans-56.6-48.9175.300000113.6S496 A497 F498 A504S496-G500 WeakPolarHBondContact O-CA 3.35Å; S496-G500 PolarHBondContact O-N 3.35Å; A497-G500 PolarHBondContact O-N 3.47Å; F498-G500 VanDerWaalsContact C-N 3.28Å; F498-G500 PolarHBondContact O-N 2.94Å; G500-A504 WeakPolarHBondContact O-CB 3.22Å; G500-A504 PolarHBondContact O-N 3.47Å; G500-A504 VanDerWaalsContact O-N 3.1Å
501G98.8Very high98.6Very high32 Ų3226 Ų2633%0.3315%0.148SC..Hα-helixtrans-64.8-46.1175.500000112.5A497 F498 Q505A497-G501 PolarHBondContact O-N 3.45Å; F498-G501 PolarHBondContact O-N 3.29Å; G501-Q505 PolarHBondContact O-N 3.42Å; G501-Q505 VanDerWaalsContact O-N 3.14Å
502S98.7Very high98.6Very high32 Ų3225.6 Ų25.622%0.22415%0.148CC..Hα-helixtrans-63.8-50.6-178.1-55.30000111.8F498 L499 Q505 E506F498-S502 PolarHBondContact O-N 2.95Å; F498-S502 VanDerWaalsContact O-N 3.13Å; F498-S502 PolarHBondContact O-OG 2.78Å; L499-S502 PolarHBondContact O-N 3.43Å; S502-Q505 PolarHBondContact O-N 3.41Å; S502-E506 WeakPolarHBondContact O-CG 3.27Å; S502-E506 PolarHBondContact O-N 3.09Å; S502-E506 VanDerWaalsContact O-N 3.08Å
503A98.8Very high98.6Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-68.8-36.7-177.900000113.2I44 L151 M162 L499 Q505 E506 A507I44-A503 HydrophobicContact CD1-CB 3.88Å; I44-A503 HydrophobicContact CG1-CB 3.94Å; L151-A503 HydrophobicContact CD2-CB 3.84Å; L151-A503 WeakPolarHBondContact CD2-O 3.42Å; M162-A503 WeakPolarHBondContact SD-CA 3.3Å; M162-A503 HydrophobicContact SD-CB 3.56Å; M162-A503 VanDerWaalsContact SD-CB 3.56Å; L499-A503 WeakPolarHBondContact O-CB 3.25Å; L499-A503 PolarHBondContact O-N 3.39Å; A503-Q505 VanDerWaalsContact C-N 3.32Å; A503-Q505 PolarHBondContact O-N 3.38Å; A503-E506 PolarHBondContact O-N 3.28Å; A503-A507 PolarHBondContact O-N 3.2Å
504A98.9Very high98.5Very high1 Ų125.1 Ų25.11%0.00814%0.142CC..Hα-helixtrans-62.5-41.6173.300000111.4I44 N47 L48 G500 E506 A507 I508I44-A504 HydrophobicContact CG2-CB 4.37Å; N47-A504 HydrophobicContact CB-CB 3.37Å; L48-A504 HydrophobicContact CD2-CB 4.09Å; L48-A504 HydrophobicContact CG-CB 4.04Å; G500-A504 WeakPolarHBondContact O-CB 3.22Å; G500-A504 PolarHBondContact O-N 3.47Å; G500-A504 VanDerWaalsContact O-N 3.1Å; A504-E506 PolarHBondContact O-N 2.98Å; A504-A507 PolarHBondContact O-N 2.89Å; A504-I508 WeakPolarHBondContact O-CG1 3.25Å; A504-I508 PolarHBondContact O-N 3.39Å
505Q98.7Very high98.5Very high70 Ų7022.5 Ų22.533%0.32712%0.122SC..Hα-helixtrans-64.2-41.4176.8-171.660.425.600111.6G501 S502 A503 A507 I508 K509G501-Q505 PolarHBondContact O-N 3.42Å; G501-Q505 VanDerWaalsContact O-N 3.14Å; S502-Q505 PolarHBondContact O-N 3.41Å; A503-Q505 VanDerWaalsContact C-N 3.32Å; A503-Q505 PolarHBondContact O-N 3.38Å; Q505-A507 VanDerWaalsContact C-N 3.34Å; Q505-A507 PolarHBondContact O-N 2.76Å; Q505-I508 PolarHBondContact O-N 2.85Å; Q505-K509 WeakPolarHBondContact O-CG 3.22Å; Q505-K509 PolarHBondContact O-N 3.33Å
506E98.8Very high98.4Very high20 Ų2024.1 Ų24.19%0.09313%0.132CC..Hα-helixtrans-62-40.8174.6-64.5-55.9131.500112.1M162 S502 A503 A504 I508 K509 I510 P517 F518M162-E506 HydrophobicContact CE-CG 3.86Å; M162-E506 HydrophobicContact SD-CB 4.48Å; M162-E506 HydrophobicContact SD-CG 4.17Å; S502-E506 WeakPolarHBondContact O-CG 3.27Å; S502-E506 PolarHBondContact O-N 3.09Å; S502-E506 VanDerWaalsContact O-N 3.08Å; A503-E506 PolarHBondContact O-N 3.28Å; A504-E506 PolarHBondContact O-N 2.98Å; E506-I508 VanDerWaalsContact C-N 3.34Å; E506-I508 PolarHBondContact O-N 3.45Å; E506-K509 WeakPolarHBondContact O-CB 3.21Å; E506-K509 PolarHBondContact O-N 3.09Å; E506-K509 WeakPolarHBondContact OE1-CE 3.3Å; E506-K509 IonicContact OE1-NZ 3.69Å; E506-K509 PolarHBondContact OE1-NZ 3.24Å; E506-K509 IonicContact OE2-NZ 2.78Å; E506-I510 WeakPolarHBondContact O-CG1 3.45Å; E506-I510 PolarHBondContact O-N 2.93Å; E506-I510 VanDerWaalsContact O-N 3.07Å; E506-P517 WeakPolarHBondContact OE2-CA 3.32Å; E506-P517 VanDerWaalsContact OE2-CB 3.32Å; E506-P517 WeakPolarHBondContact OE2-CB 3.46Å; E506-F518 HydrophobicContact CB-CE1 4.28Å; E506-F518 HydrophobicContact CG-CD1 3.67Å; E506-F518 HydrophobicContact CG-CE1 3.76Å; E506-F518 WeakPolarHBondContact OE2-CD1 3.5Å; E506-F518 PolarHBondContact OE2-N 3.28Å; E506-F518 VanDerWaalsContact OE2-N 3.09Å
507A98.8Very high98.4Very high0 Ų024.3 Ų24.30%013%0.133CC..Hα-helixtrans-61.7-40.317300000112.3L48 I124 I126 A503 A504 Q505 K509 I510 I511L48-A507 HydrophobicContact CD1-CB 4.44Å; L48-A507 HydrophobicContact CD2-CB 4.17Å; I124-A507 HydrophobicContact CD1-CB 4.09Å; I124-A507 HydrophobicContact CG2-CB 4.49Å; I126-A507 HydrophobicContact CD1-CB 4.12Å; A503-A507 PolarHBondContact O-N 3.2Å; A504-A507 PolarHBondContact O-N 2.89Å; Q505-A507 VanDerWaalsContact C-N 3.34Å; Q505-A507 PolarHBondContact O-N 2.76Å; A507-K509 VanDerWaalsContact C-N 3.32Å; A507-K509 PolarHBondContact O-N 3.35Å; A507-I510 PolarHBondContact O-N 3.24Å; A507-I511 WeakPolarHBondContact O-CD1 3.3Å; A507-I511 VanDerWaalsContact O-CG1 3.24Å; A507-I511 WeakPolarHBondContact O-CG1 3.46Å; A507-I511 PolarHBondContact O-N 3.08Å
508I98.8Very high98.4Very high7 Ų724.2 Ų24.24%0.03613%0.127CC..Hα-helixtrans-62.2-39.1175-68.7166.4000111.3W19 L27 L48 P51 A504 Q505 E506 I511 S512W19-I508 HydrophobicContact CE3-CG2 4.03Å; W19-I508 HydrophobicContact CH2-CD1 4.02Å; W19-I508 HydrophobicContact CH2-CG2 4.16Å; W19-I508 HydrophobicContact CZ3-CD1 4.34Å; W19-I508 HydrophobicContact CZ3-CG2 3.78Å; L27-I508 HydrophobicContact CD1-CG1 4.05Å; L48-I508 HydrophobicContact CD2-CD1 4.27Å; L48-I508 HydrophobicContact CD2-CG1 3.79Å; P51-I508 HydrophobicContact CG-CD1 4.2Å; A504-I508 WeakPolarHBondContact O-CG1 3.25Å; A504-I508 PolarHBondContact O-N 3.39Å; Q505-I508 PolarHBondContact O-N 2.85Å; E506-I508 VanDerWaalsContact C-N 3.34Å; E506-I508 PolarHBondContact O-N 3.45Å; I508-I511 PolarHBondContact O-N 2.81Å; I508-S512 VanDerWaalsContact O-CB 3.29Å; I508-S512 WeakPolarHBondContact O-CB 3.47Å; I508-S512 PolarHBondContact O-N 2.72Å; I508-S512 PolarHBondContact O-OG 2.7Å
509K98.7Very high98.3Very high32 Ų3222.5 Ų22.514%0.13912%0.122CC..Hα-helixtrans-61-45.8174.6-63.2178.7-175.2172.60111.3Q505 E506 A507 I511 H513 Q514 F515 V516 P517Q505-K509 WeakPolarHBondContact O-CG 3.22Å; Q505-K509 PolarHBondContact O-N 3.33Å; E506-K509 WeakPolarHBondContact O-CB 3.21Å; E506-K509 PolarHBondContact O-N 3.09Å; E506-K509 WeakPolarHBondContact OE1-CE 3.3Å; E506-K509 IonicContact OE1-NZ 3.69Å; E506-K509 PolarHBondContact OE1-NZ 3.24Å; E506-K509 IonicContact OE2-NZ 2.78Å; A507-K509 VanDerWaalsContact C-N 3.32Å; A507-K509 PolarHBondContact O-N 3.35Å; K509-I511 VanDerWaalsContact C-N 3.34Å; K509-I511 PolarHBondContact O-N 3.18Å; K509-H513 WeakPolarHBondContact O-CA 3.42Å; K509-H513 PolarHBondContact O-N 2.93Å; K509-Q514 WeakPolarHBondContact CA-O 3.2Å; K509-Q514 WeakPolarHBondContact CB-O 3.2Å; K509-F515 HydrophobicContact CD-CB 4.08Å; K509-F515 HydrophobicContact CG-CB 4.03Å; K509-V516 PolarHBondContact NZ-O 2.98Å; K509-P517 HydrophobicContact CB-CB 4.47Å; K509-P517 HydrophobicContact CD-CB 4.34Å
510I98.5Very high98.3Very high4 Ų422.6 Ų22.62%0.02112%0.123CC..Hα-helixtrans-60.3-44.2176.7-63-56.7000111.6I124 P149 L164 H169 E506 A507 P517I124-I510 HydrophobicContact CD1-CB 4.28Å; I124-I510 HydrophobicContact CD1-CG1 4.31Å; I124-I510 HydrophobicContact CD1-CG2 4.27Å; P149-I510 HydrophobicContact CB-CG2 3.82Å; P149-I510 HydrophobicContact CG-CG2 3.81Å; L164-I510 HydrophobicContact CD1-CD1 4.08Å; L164-I510 HydrophobicContact CD1-CG1 4.09Å; L164-I510 HydrophobicContact CD2-CD1 4.15Å; H169-I510 HydrophobicContact CB-CD1 4.47Å; H169-I510 PolarHBondContact CE1-O 3.33Å; E506-I510 WeakPolarHBondContact O-CG1 3.45Å; E506-I510 PolarHBondContact O-N 2.93Å; E506-I510 VanDerWaalsContact O-N 3.07Å; A507-I510 PolarHBondContact O-N 3.24Å; I510-P517 HydrophobicContact CD1-CB 4.25Å; I510-P517 HydrophobicContact CD1-CG 4.1Å
511I98.5Very high98.3Very high8 Ų822.6 Ų22.64%0.04112%0.123CC..Hα-helixtrans-69.1-46.1-178.3-69.3159.2000111.8A26 L27 A30 V32 I53 T123 I124 A507 I508 K509A26-I511 HydrophobicContact CB-CG2 4.45Å; A26-I511 WeakPolarHBondContact O-CG2 3.23Å; L27-I511 HydrophobicContact CD1-CD1 4.2Å; L27-I511 HydrophobicContact CD1-CG2 4.19Å; A30-I511 HydrophobicContact CB-CB 4.43Å; A30-I511 HydrophobicContact CB-CD1 4.17Å; A30-I511 HydrophobicContact CB-CG1 4.05Å; A30-I511 HydrophobicContact CB-CG2 3.51Å; V32-I511 HydrophobicContact CG2-CD1 4.03Å; I53-I511 HydrophobicContact CD1-CD1 3.56Å; T123-I511 HydrophobicContact CG2-CG1 3.96Å; I124-I511 HydrophobicContact CG2-CD1 4.26Å; I124-I511 HydrophobicContact CG2-CG1 4.34Å; A507-I511 WeakPolarHBondContact O-CD1 3.3Å; A507-I511 VanDerWaalsContact O-CG1 3.24Å; A507-I511 WeakPolarHBondContact O-CG1 3.46Å; A507-I511 PolarHBondContact O-N 3.08Å; I508-I511 PolarHBondContact O-N 2.81Å; K509-I511 VanDerWaalsContact C-N 3.34Å; K509-I511 PolarHBondContact O-N 3.18Å
512S97.6Very high98.3Very high15 Ų1522.4 Ų22.411%0.10511%0.113CC..Hα-helixtrans-82.6-16.3-173.562.30000113.7I508 Q514I508-S512 VanDerWaalsContact O-CB 3.29Å; I508-S512 WeakPolarHBondContact O-CB 3.47Å; I508-S512 PolarHBondContact O-N 2.72Å; I508-S512 PolarHBondContact O-OG 2.7Å; S512-Q514 PolarHBondContact O-N 2.82Å; S512-Q514 PolarHBondContact OG-N 3.33Å
513H97Very high98.3Very high92 Ų9220.9 Ų20.943%0.42610%0.102SC..THydrogen-bonded Turntrans5527.1-168.2-65.6-98.3000113.2H169 T170 K509H169-H513 AromaticContact CE1-CE1 3.91Å; H169-H513 AromaticContact CE1-CG 3.99Å; H169-H513 AromaticContact CE1-ND1 3.51Å; H169-H513 AromaticContact ND1-ND1 3.93Å; T170-H513 PolarHBondContact O-ND1 3.19Å; T170-H513 VanDerWaalsContact O-ND1 3.14Å; K509-H513 WeakPolarHBondContact O-CA 3.42Å; K509-H513 PolarHBondContact O-N 2.93Å
514Q97.2Very high98.2Very high0 Ų021.6 Ų21.60%011%0.105CC..BIsolated β-bridgetrans-116.6151.5176.3-59-173.135.900110.8W19 H22 E173 H175 K509 S512W19-Q514 VanDerWaalsContact CA-OE1 3.29Å; W19-Q514 PolarHBondContact O-NE2 3.14Å; W19-Q514 PolarHBondContact O-OE1 3.27Å; H22-Q514 PolarHBondContact CD2-NE2 2.9Å; H22-Q514 PolarHBondContact NE2-NE2 3.42Å; E173-Q514 HydrophobicContact CB-CG 4.13Å; E173-Q514 WeakPolarHBondContact O-CA 3.39Å; H175-Q514 PolarHBondContact NE2-OE1 3.15Å; K509-Q514 WeakPolarHBondContact CA-O 3.2Å; K509-Q514 WeakPolarHBondContact CB-O 3.2Å; S512-Q514 PolarHBondContact O-N 2.82Å; S512-Q514 PolarHBondContact OG-N 3.33Å
515F98.1Very high98.2Very high53 Ų5322.1 Ų22.123%0.23211%0.107CC..SBendtrans58.7166.8-169.7-52.6-94.7000112.5V171 E173 H175 K509V171-F515 WeakPolarHBondContact CG1-O 3.45Å; V171-F515 WeakPolarHBondContact CG2-O 3.39Å; E173-F515 PolarHBondContact O-N 3.03Å; H175-F515 HydrophobicContact CB-CD1 3.6Å; H175-F515 HydrophobicContact CB-CE1 3.37Å; H175-F515 HydrophobicContact CB-CG 4.36Å; H175-F515 HydrophobicContact CB-CZ 3.96Å; H175-F515 AromaticContact CD2-CD1 3.98Å; H175-F515 AromaticContact CD2-CD2 3.75Å; H175-F515 AromaticContact CD2-CE1 3.74Å; H175-F515 AromaticContact CD2-CE2 3.48Å; H175-F515 VanDerWaalsContact CD2-CE2 3.48Å; H175-F515 WeakPolarHBondContact CD2-CE2 3.37Å; H175-F515 AromaticContact CD2-CG 3.97Å; H175-F515 AromaticContact CD2-CZ 3.47Å; H175-F515 VanDerWaalsContact CD2-CZ 3.47Å; H175-F515 WeakPolarHBondContact CD2-CZ 3.36Å; H175-F515 AromaticContact CG-CE1 3.72Å; H175-F515 AromaticContact CG-CZ 3.76Å; H175-F515 AromaticContact NE2-CE2 3.98Å; K509-F515 HydrophobicContact CD-CB 4.08Å; K509-F515 HydrophobicContact CG-CB 4.03Å
516V98.2Very high98.2Very high36 Ų3619.4 Ų19.422%0.21810%0.097CC..PPolyproline II helixtrans-97.4121.8-178.4-1700000109.2R391 V393 K509R391-V516 HydrophobicContact CB-CG2 4.25Å; R391-V516 HydrophobicContact CG-CG2 3.88Å; V393-V516 HydrophobicContact CG2-CG1 3.89Å; K509-V516 PolarHBondContact NZ-O 2.98Å
517P98Very high98.1Very high5 Ų522.1 Ų22.13%0.03211%0.111CC..PPolyproline II helixtrans-71.6156.9172.130.4-34.3000111L164 V393 E506 K509 I510L164-P517 HydrophobicContact CD2-CB 3.71Å; L164-P517 HydrophobicContact CD2-CG 4.2Å; V393-P517 HydrophobicContact CB-CG 4.34Å; V393-P517 HydrophobicContact CG2-CG 4.09Å; E506-P517 WeakPolarHBondContact OE2-CA 3.32Å; E506-P517 VanDerWaalsContact OE2-CB 3.32Å; E506-P517 WeakPolarHBondContact OE2-CB 3.46Å; K509-P517 HydrophobicContact CB-CB 4.47Å; K509-P517 HydrophobicContact CD-CB 4.34Å; I510-P517 HydrophobicContact CD1-CB 4.25Å; I510-P517 HydrophobicContact CD1-CG 4.1Å
518F98.1Very high98Very high25 Ų2525.1 Ų25.111%0.1113%0.131CC..PPolyproline II helixtrans-63.8145.9173.776.2-77.3000110.3L151 M162 L164 E506 N520 F522 T533L151-F518 HydrophobicContact CD1-CE1 4.26Å; L151-F518 HydrophobicContact CD1-CZ 4.27Å; M162-F518 HydrophobicContact CB-CZ 4.32Å; M162-F518 HydrophobicContact CE-CD1 3.9Å; M162-F518 HydrophobicContact CE-CE1 3.4Å; M162-F518 VanDerWaalsContact CE-CE1 3.4Å; M162-F518 HydrophobicContact CE-CZ 3.81Å; M162-F518 HydrophobicContact CG-CE1 4.06Å; M162-F518 HydrophobicContact CG-CZ 3.75Å; M162-F518 HydrophobicContact SD-CE1 3.9Å; M162-F518 HydrophobicContact SD-CZ 4.21Å; L164-F518 HydrophobicContact CB-CE1 3.71Å; L164-F518 HydrophobicContact CB-CE2 4.11Å; L164-F518 HydrophobicContact CB-CZ 3.48Å; L164-F518 VanDerWaalsContact CB-CZ 3.48Å; L164-F518 WeakPolarHBondContact CD2-O 3.15Å; E506-F518 HydrophobicContact CB-CE1 4.28Å; E506-F518 HydrophobicContact CG-CD1 3.67Å; E506-F518 HydrophobicContact CG-CE1 3.76Å; E506-F518 WeakPolarHBondContact OE2-CD1 3.5Å; E506-F518 PolarHBondContact OE2-N 3.28Å; E506-F518 VanDerWaalsContact OE2-N 3.09Å; F518-N520 VanDerWaalsContact CE2-C 3.41Å; F518-N520 WeakPolarHBondContact CE2-O 3.33Å; F518-N520 PolarHBondContact O-N 2.99Å; F518-F522 HydrophobicContact CD2-CB 3.97Å; F518-F522 HydrophobicContact CE2-CB 3.86Å; F518-F522 HydrophobicContact CG-CB 4.48Å; F518-F522 HydrophobicContact CZ-CB 4.36Å; F518-T533 HydrophobicContact CB-CG2 4.12Å; F518-T533 HydrophobicContact CD2-CG2 4.06Å
519N97.1Very high97.9Very high41 Ų4131 Ų3122%0.21916%0.159CC..  trans-89.8110.2176.7-167.84.9000109.7V393 C394 C395 Q535V393-N519 HydrophobicContact CG1-CB 4.19Å; C394-N519 PolarHBondContact O-OD1 3.1Å; C395-N519 PolarHBondContact SG-OD1 2.64Å; N519-Q535 HydrophobicContact CB-CG 4.43Å; N519-Q535 PolarHBondContact ND2-NE2 3.09Å
520N97.6Very high97.9Very high2 Ų232 Ų321%0.01117%0.168CC..SBendtrans88.7-91.2165.2-149.680.3000115.9R163 L164 R396 F518 Y534 Q535 L536R163-N520 CarbonylContact C-O 3.56Å; R163-N520 WeakPolarHBondContact CA-O 3.19Å; R163-N520 VanDerWaalsContact CD-O 3.29Å; R163-N520 WeakPolarHBondContact CD-O 3.26Å; R163-N520 PolarHBondContact NE-ND2 3.13Å; R163-N520 PolarHBondContact NH1-O 2.86Å; R163-N520 VanDerWaalsContact NH1-O 3.13Å; R163-N520 PolarHBondContact NH1-OD1 3.25Å; R163-N520 VanDerWaalsContact NH1-OD1 3.17Å; R163-N520 PolarHBondContact NH2-OD1 2.93Å; L164-N520 PolarHBondContact N-O 3.32Å; R396-N520 PolarHBondContact N-OD1 2.82Å; F518-N520 VanDerWaalsContact CE2-C 3.41Å; F518-N520 WeakPolarHBondContact CE2-O 3.33Å; F518-N520 PolarHBondContact O-N 2.99Å; N520-Y534 WeakPolarHBondContact CB-O 3.29Å; N520-Q535 HydrophobicContact CB-CG 4.47Å; N520-L536 PolarHBondContact ND2-N 3.22Å; N520-L536 PolarHBondContact ND2-O 3.41Å
521T98.7Very high97.9Very high0 Ų034.9 Ų34.90%019%0.188CC..EExtended strand (participates in β ladder)trans-125134.2-171.6-51.10000112.3Y161 M162 R163 I523 T533 Y534 L536Y161-T521 HydrophobicContact CD2-CG2 4.15Å; Y161-T521 HydrophobicContact CE2-CG2 3.71Å; M162-T521 CarbonylContact O-C 3.54Å; M162-T521 WeakPolarHBondContact O-CA 3.48Å; R163-T521 WeakPolarHBondContact CD-OG1 3.48Å; R163-T521 PolarHBondContact NE-OG1 3.42Å; T521-I523 HydrophobicContact CG2-CD1 4.13Å; T521-I523 HydrophobicContact CG2-CG1 4.42Å; T521-T533 CarbonylContact O-C 3.58Å; T521-T533 WeakPolarHBondContact O-CA 3.48Å; T521-T533 WeakPolarHBondContact O-CG2 3.2Å; T521-Y534 PolarHBondContact N-O 3.21Å; T521-Y534 PolarHBondContact O-N 3.18Å; T521-L536 HydrophobicContact CG2-CD1 3.79Å; T521-L536 WeakPolarHBondContact OG1-CD1 3.38Å
522F98.8Very high97.9Very high28 Ų2835.5 Ų35.512%0.12320%0.195CC..EExtended strand (participates in β ladder)trans-120.4131.7173.7171.8-91.6000110.3M162 F498 F518 A532M162-F522 HydrophobicContact CB-CB 4.27Å; M162-F522 HydrophobicContact CB-CD1 4.34Å; M162-F522 HydrophobicContact CE-CB 3.96Å; M162-F522 HydrophobicContact CE-CD1 3.94Å; M162-F522 HydrophobicContact CE-CG 4.08Å; M162-F522 PolarHBondContact N-O 3.38Å; M162-F522 PolarHBondContact O-N 3.45Å; F498-F522 HydrophobicContact CE1-CE1 4.07Å; F498-F522 HydrophobicContact CE1-CZ 4.14Å; F498-F522 HydrophobicContact CZ-CZ 4.39Å; F518-F522 HydrophobicContact CD2-CB 3.97Å; F518-F522 HydrophobicContact CE2-CB 3.86Å; F518-F522 HydrophobicContact CG-CB 4.48Å; F518-F522 HydrophobicContact CZ-CB 4.36Å; F522-A532 WeakPolarHBondContact CA-O 3.11Å
523I98.8Very high97.9Very high0 Ų038.2 Ų38.20%021%0.211CC..EExtended strand (participates in β ladder)trans-120.1132177.9-56.6-64.2000109I159 G160 Y161 E422 F425 T521 S531 A532 Y534I159-I523 HydrophobicContact CG2-CG2 4.39Å; G160-I523 WeakPolarHBondContact O-CA 3.46Å; Y161-I523 HydrophobicContact CD2-CD1 3.58Å; Y161-I523 HydrophobicContact CE2-CD1 4.42Å; Y161-I523 HydrophobicContact CG-CD1 4.42Å; E422-I523 HydrophobicContact CB-CB 4.2Å; E422-I523 HydrophobicContact CB-CG2 3.92Å; F425-I523 HydrophobicContact CB-CG2 3.97Å; F425-I523 HydrophobicContact CD2-CG2 4.13Å; T521-I523 HydrophobicContact CG2-CD1 4.13Å; T521-I523 HydrophobicContact CG2-CG1 4.42Å; I523-S531 CarbonylContact O-C 3.53Å; I523-S531 WeakPolarHBondContact O-CA 3.29Å; I523-S531 WeakPolarHBondContact O-CB 3.43Å; I523-A532 PolarHBondContact N-O 2.74Å; I523-A532 PolarHBondContact O-N 2.79Å; I523-Y534 HydrophobicContact CB-CE2 4.4Å; I523-Y534 HydrophobicContact CG1-CD2 4.16Å; I523-Y534 HydrophobicContact CG1-CE2 4.01Å
524Y98.7Very high97.9Very high15 Ų1534.4 Ų34.46%0.05919%0.192CC..EExtended strand (participates in β ladder)trans-117.5128.2172.2169.5-119.8000110.4I159 G160 V495 F498 A526 Q529 T530I159-Y524 WeakPolarHBondContact CA-O 3.41Å; G160-Y524 PolarHBondContact N-O 2.94Å; G160-Y524 PolarHBondContact O-N 3.05Å; V495-Y524 HydrophobicContact CG1-CD1 4.34Å; V495-Y524 HydrophobicContact CG1-CE1 4.42Å; F498-Y524 HydrophobicContact CB-CE1 4.07Å; F498-Y524 AromaticContact CD1-CD1 3.3Å; F498-Y524 HydrophobicContact CD1-CD1 3.3Å; F498-Y524 HydrophobicContact CD1-CD2 4.12Å; F498-Y524 AromaticContact CD1-CE1 3.55Å; F498-Y524 HydrophobicContact CD1-CE1 3.55Å; F498-Y524 HydrophobicContact CD1-CE2 4.35Å; F498-Y524 AromaticContact CD1-CG 3.61Å; F498-Y524 HydrophobicContact CD1-CG 3.61Å; F498-Y524 HydrophobicContact CD2-CE1 4.23Å; F498-Y524 HydrophobicContact CD2-CE2 4.37Å; F498-Y524 AromaticContact CE1-CD1 3.6Å; F498-Y524 HydrophobicContact CE1-CD1 3.6Å; F498-Y524 AromaticContact CE1-CD2 3.6Å; F498-Y524 HydrophobicContact CE1-CD2 3.6Å; F498-Y524 HydrophobicContact CE1-CE1 4.05Å; F498-Y524 HydrophobicContact CE1-CE2 4.08Å; F498-Y524 AromaticContact CE1-CG 3.33Å; F498-Y524 HydrophobicContact CE1-CG 3.33Å; F498-Y524 HydrophobicContact CE2-CD2 4.34Å; F498-Y524 HydrophobicContact CE2-CE2 4.08Å; F498-Y524 AromaticContact CG-CD1 3.94Å; F498-Y524 HydrophobicContact CG-CD1 3.94Å; F498-Y524 AromaticContact CG-CE1 3.66Å; F498-Y524 HydrophobicContact CG-CE1 3.66Å; F498-Y524 HydrophobicContact CG-CG 4.45Å; F498-Y524 AromaticContact CG-CZ 3.98Å; F498-Y524 HydrophobicContact CZ-CD1 4.4Å; F498-Y524 AromaticContact CZ-CD2 3.72Å; F498-Y524 HydrophobicContact CZ-CD2 3.72Å; F498-Y524 AromaticContact CZ-CE2 3.93Å; F498-Y524 HydrophobicContact CZ-CE2 3.93Å; F498-Y524 AromaticContact CZ-CG 3.97Å; F498-Y524 HydrophobicContact CZ-CG 3.97Å; Y524-A526 HydrophobicContact CD1-CB 4.37Å; Y524-A526 HydrophobicContact CE1-CB 3.55Å; Y524-Q529 PolarHBondContact OH-NE2 3.33Å; Y524-Q529 PolarHBondContact OH-OE1 3.49Å; Y524-T530 WeakPolarHBondContact CD2-O 3.36Å
525N98.1Very high97.9Very high11 Ų1139.5 Ų39.56%0.05922%0.216CC..EExtended strand (participates in β ladder)trans-107.6102.5173.5-179.65.8000110I159 E422 F425 M527 S528 Q529 T530I159-N525 HydrophobicContact CD1-CB 4.31Å; E422-N525 HydrophobicContact CG-CB 4.4Å; F425-N525 HydrophobicContact CD2-CB 4.16Å; F425-N525 HydrophobicContact CE2-CB 3.63Å; F425-N525 WeakPolarHBondContact CE2-ND2 3.46Å; F425-N525 HydrophobicContact CZ-CB 4.27Å; F425-N525 WeakPolarHBondContact CZ-ND2 3.28Å; N525-M527 PolarHBondContact O-N 3.3Å; N525-M527 WeakPolarHBondContact OD1-CB 3.15Å; N525-M527 VanDerWaalsContact OD1-CE 3.25Å; N525-M527 WeakPolarHBondContact OD1-CE 3.35Å; N525-M527 PolarHBondContact OD1-N 3.49Å; N525-S528 VanDerWaalsContact CG-OG 3.3Å; N525-S528 PolarHBondContact ND2-OG 3.31Å; N525-Q529 VanDerWaalsContact O-CA 3.3Å; N525-Q529 WeakPolarHBondContact O-CA 3.36Å; N525-Q529 PolarHBondContact O-N 2.98Å; N525-T530 PolarHBondContact N-O 3.06Å; N525-T530 PolarHBondContact O-N 3.23Å
526A97.9Very high97.8Very high14 Ų1437 Ų3712%0.11621%0.205CC..THydrogen-bonded Turntrans-72.9-13.9178.400000113.4L158 V495 Y524 Q529L158-A526 HydrophobicContact CB-CB 4.11Å; L158-A526 HydrophobicContact CD2-CB 4.35Å; L158-A526 WeakPolarHBondContact O-CB 3.44Å; L158-A526 PolarHBondContact O-N 2.92Å; V495-A526 HydrophobicContact CG2-CB 3.89Å; Y524-A526 HydrophobicContact CD1-CB 4.37Å; Y524-A526 HydrophobicContact CE1-CB 3.55Å; A526-Q529 PolarHBondContact O-NE2 3.47Å
527M96.8Very high97.7Very high77 Ų7737 Ų3738%0.37921%0.205SC..THydrogen-bonded Turntrans-67.6-44175.4-60.2-179-78.300111.4L158 I159 F425 E483 Y487 N525L158-M527 HydrophobicContact CB-CG 3.81Å; L158-M527 HydrophobicContact CD1-CG 3.61Å; L158-M527 HydrophobicContact CG-CG 4.37Å; I159-M527 HydrophobicContact CD1-CE 4.1Å; F425-M527 HydrophobicContact CE1-CE 3.67Å; F425-M527 HydrophobicContact CZ-CE 3.72Å; E483-M527 HydrophobicContact CG-SD 3.98Å; Y487-M527 WeakPolarHBondContact OH-CE 3.25Å; Y487-M527 PolarHBondContact OH-SD 2.79Å; N525-M527 PolarHBondContact O-N 3.3Å; N525-M527 WeakPolarHBondContact OD1-CB 3.15Å; N525-M527 VanDerWaalsContact OD1-CE 3.25Å; N525-M527 WeakPolarHBondContact OD1-CE 3.35Å; N525-M527 PolarHBondContact OD1-N 3.49Å
528S96.8Very high97.7Very high62 Ų6238.7 Ų38.743%0.43421%0.214SC..THydrogen-bonded Turntrans-104.5-6.1-179.552.50000113.6N525 T530N525-S528 VanDerWaalsContact CG-OG 3.3Å; N525-S528 PolarHBondContact ND2-OG 3.31Å; S528-T530 VanDerWaalsContact C-N 3.29Å; S528-T530 PolarHBondContact O-N 3.34Å; S528-T530 PolarHBondContact OG-OG1 3.18Å
529Q97.5Very high97.7Very high131 Ų13139.4 Ų39.461%0.61222%0.219SC*.THydrogen-bonded Turntrans59.440.3-174.7-58.3-66.3-36.300112.4Y524 N525 A526Y524-Q529 PolarHBondContact OH-NE2 3.33Å; Y524-Q529 PolarHBondContact OH-OE1 3.49Å; N525-Q529 VanDerWaalsContact O-CA 3.3Å; N525-Q529 WeakPolarHBondContact O-CA 3.36Å; N525-Q529 PolarHBondContact O-N 2.98Å; A526-Q529 PolarHBondContact O-NE2 3.47Å
530T98Very high97.8Very high54 Ų5439.4 Ų39.433%0.33122%0.219SC..EExtended strand (participates in β ladder)trans-118.2159.2178.256.30000110.9E422 Y524 N525 S528E422-T530 WeakPolarHBondContact OE1-CB 3.5Å; E422-T530 PolarHBondContact OE1-OG1 3.16Å; Y524-T530 WeakPolarHBondContact CD2-O 3.36Å; N525-T530 PolarHBondContact N-O 3.06Å; N525-T530 PolarHBondContact O-N 3.23Å; S528-T530 VanDerWaalsContact C-N 3.29Å; S528-T530 PolarHBondContact O-N 3.34Å; S528-T530 PolarHBondContact OG-OG1 3.18Å
531S98.1Very high97.8Very high64 Ų6441.7 Ų41.745%0.44823%0.232SC..EExtended strand (participates in β ladder)trans-152153.8177.960.10000111.3I523I523-S531 CarbonylContact O-C 3.53Å; I523-S531 WeakPolarHBondContact O-CA 3.29Å; I523-S531 WeakPolarHBondContact O-CB 3.43Å
532A98.3Very high97.7Very high21 Ų2144.5 Ų44.517%0.17425%0.248CC..EExtended strand (participates in β ladder)trans-142.8158.517800000111.6E422 F522 I523 Y534E422-A532 HydrophobicContact CB-CB 4.09Å; E422-A532 HydrophobicContact CG-CB 4.4Å; F522-A532 WeakPolarHBondContact CA-O 3.11Å; I523-A532 PolarHBondContact N-O 2.74Å; I523-A532 PolarHBondContact O-N 2.79Å; A532-Y534 HydrophobicContact CB-CE1 4.14Å; A532-Y534 HydrophobicContact CB-CE2 3.74Å; A532-Y534 VanDerWaalsContact CB-CZ 3.47Å; A532-Y534 VanDerWaalsContact CB-OH 3.3Å; A532-Y534 WeakPolarHBondContact CB-OH 3.47Å
533T98.3Very high97.6Very high72 Ų7245.6 Ų45.644%0.44226%0.257SS..EExtended strand (participates in β ladder)trans-118.3138.2173.5-58.60000109.5F518 T521F518-T533 HydrophobicContact CB-CG2 4.12Å; F518-T533 HydrophobicContact CD2-CG2 4.06Å; T521-T533 CarbonylContact O-C 3.58Å; T521-T533 WeakPolarHBondContact O-CA 3.48Å; T521-T533 WeakPolarHBondContact O-CG2 3.2Å
534Y97.9Very high97.5Very high11 Ų1149.2 Ų49.24%0.04328%0.277CS..EExtended strand (participates in β ladder)trans-135.5146.3-175.4-55.9-69.5000111.6C415 S421 E422 M423 N520 T521 I523 A532C415-Y534 HydrophobicContact CB-CE1 4.26Å; C415-Y534 VanDerWaalsContact SG-CE1 3.56Å; S421-Y534 PolarHBondContact OG-OH 3.07Å; E422-Y534 HydrophobicContact CB-CE2 4.32Å; E422-Y534 WeakPolarHBondContact CB-OH 3.18Å; E422-Y534 PolarHBondContact N-OH 3.3Å; M423-Y534 HydrophobicContact CB-CE1 4.4Å; M423-Y534 HydrophobicContact CE-CD1 3.32Å; M423-Y534 HydrophobicContact CE-CD2 4Å; M423-Y534 HydrophobicContact CE-CE1 3.66Å; M423-Y534 HydrophobicContact CE-CE2 4.29Å; M423-Y534 HydrophobicContact CE-CG 3.49Å; M423-Y534 VanDerWaalsContact CE-CG 3.49Å; M423-Y534 PolarHBondContact N-OH 3.41Å; N520-Y534 WeakPolarHBondContact CB-O 3.29Å; T521-Y534 PolarHBondContact N-O 3.21Å; T521-Y534 PolarHBondContact O-N 3.18Å; I523-Y534 HydrophobicContact CB-CE2 4.4Å; I523-Y534 HydrophobicContact CG1-CD2 4.16Å; I523-Y534 HydrophobicContact CG1-CE2 4.01Å; A532-Y534 HydrophobicContact CB-CE1 4.14Å; A532-Y534 HydrophobicContact CB-CE2 3.74Å; A532-Y534 VanDerWaalsContact CB-CZ 3.47Å; A532-Y534 VanDerWaalsContact CB-OH 3.3Å; A532-Y534 WeakPolarHBondContact CB-OH 3.47Å
535Q97.2Very high97.4Very high107 Ų10752 Ų5250%0.530%0.295SS..  trans-10088.9170.9-64.9-176.824.200110.1N408 N519 N520N408-Q535 PolarHBondContact ND2-O 2.91Å; N519-Q535 HydrophobicContact CB-CG 4.43Å; N519-Q535 PolarHBondContact ND2-NE2 3.09Å; N520-Q535 HydrophobicContact CB-CG 4.47Å
536L94.4Very high97.4Very high0 Ų055.7 Ų55.70%032%0.316CS..  trans-89.90-171.2-60.5-177.7000114.8R396 E401 N408 I412 M423 Y426 N520 T521R396-L536 PolarHBondContact NH1-O 3.42Å; R396-L536 PolarHBondContact NH1-OXT 2.7Å; E401-L536 HydrophobicContact CG-CB 4.01Å; N408-L536 WeakPolarHBondContact CB-OXT 3.25Å; N408-L536 PolarHBondContact N-OXT 2.99Å; I412-L536 HydrophobicContact CG1-CD2 4.11Å; M423-L536 HydrophobicContact CE-CD2 3.67Å; M423-L536 HydrophobicContact SD-CD2 3.92Å; Y426-L536 HydrophobicContact CD1-CD1 3.87Å; Y426-L536 HydrophobicContact CD2-CD1 3.49Å; Y426-L536 VanDerWaalsContact CD2-CD1 3.49Å; Y426-L536 HydrophobicContact CE1-CD1 3.82Å; Y426-L536 HydrophobicContact CE1-CD2 4.4Å; Y426-L536 HydrophobicContact CE2-CD1 3.45Å; Y426-L536 VanDerWaalsContact CE2-CD1 3.45Å; Y426-L536 HydrophobicContact CG-CD1 3.7Å; N520-L536 PolarHBondContact ND2-N 3.22Å; N520-L536 PolarHBondContact ND2-O 3.41Å; T521-L536 HydrophobicContact CG2-CD1 3.79Å; T521-L536 WeakPolarHBondContact OG1-CD1 3.38Å

Retrieved 536 of 536 residues in 801.4 ms (Link to these results)

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