A0A087XJ66_POEFO Loading...

Epidermal growth factor receptor pathway substrate 15

AlphaFold DB , UniProt , Accession A0A087XJ66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,111 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
1M41Very low43.3Very low224 Ų224101.9 Ų101.9100%1.10355%0.546SS*.  0-44.30-74.2-178.9176.100115.1A3 V4M1-A3 PolarHBondContact O-N 3.3Å; M1-A3 VanDerWaalsContact O-N 3.07Å; M1-V4 PolarHBondContact O-N 3.4Å; M1-V4 VanDerWaalsContact O-N 3.16Å
2K32.6Very low44.2Very low159 Ų15998.8 Ų98.869%0.69155%0.545SS*.G310 helixtrans-47.7-38.9-179.9-92.9-172.3177-177.60114.5V4 G5 E697K2-V4 PolarHBondContact O-N 2.82Å; K2-G5 PolarHBondContact O-N 2.94Å; K2-E697 IonicContact NZ-OE2 2.78Å; K2-E697 PolarHBondContact NZ-OE2 2.94Å
3A33.6Very low45.3Very low78 Ų7898.9 Ų98.965%0.64555%0.55SS**G310 helixtrans-66.310.1-179.800000116.8M1 R7M1-A3 PolarHBondContact O-N 3.3Å; M1-A3 VanDerWaalsContact O-N 3.07Å; A3-R7 PolarHBondContact O-NE 2.84Å; A3-R7 PolarHBondContact O-NH2 3.43Å
4V39.7Very low47Very low79 Ų7993.1 Ų93.148%0.47952%0.517SS..G310 helixtrans-97.9-32.3165.8-176.90000110.9M1 K2 N6 R7 N8M1-V4 PolarHBondContact O-N 3.4Å; M1-V4 VanDerWaalsContact O-N 3.16Å; K2-V4 PolarHBondContact O-N 2.82Å; V4-N6 PolarHBondContact O-N 3.17Å; V4-R7 PolarHBondContact O-N 3.46Å; V4-N8 PolarHBondContact O-OD1 3.39Å
5G34.8Very low48.8Very low41 Ų4190.3 Ų90.342%0.42351%0.507SS..Hα-helixtrans-59.5-47.4-175.900000113.8K2 R7 N8K2-G5 PolarHBondContact O-N 2.94Å; G5-R7 PolarHBondContact O-N 2.91Å; G5-N8 PolarHBondContact O-N 2.97Å
6N42.4Very low50.4Low130 Ų13088 Ų8870%0.69549%0.493SS*.Hα-helixtrans-70.3-13.9-177.9-68.332.2000114.1V4 T9V4-N6 PolarHBondContact O-N 3.17Å; N6-T9 PolarHBondContact O-OG1 3.04Å
7R47.5Very low51.7Low153 Ų15388.8 Ų88.858%0.57750%0.5SS*.Hα-helixtrans-79.1-33174.1-79.8-177.2-85.9175.8-9.2112A3 V4 G5A3-R7 PolarHBondContact O-NE 2.84Å; A3-R7 PolarHBondContact O-NH2 3.43Å; V4-R7 PolarHBondContact O-N 3.46Å; G5-R7 PolarHBondContact O-N 2.91Å
8N45.7Very low53Low74 Ų7490.3 Ų90.340%0.39650%0.503SS..Hα-helixtrans-77.4-28.9-178.5-71.440.8000113V4 G5 A12 I69V4-N8 PolarHBondContact O-OD1 3.39Å; G5-N8 PolarHBondContact O-N 2.97Å; N8-A12 WeakPolarHBondContact O-CB 3.3Å; N8-I69 HydrophobicContact CB-CG2 4.19Å; N8-I69 VanDerWaalsContact CG-CG2 3.45Å; N8-I69 WeakPolarHBondContact ND2-CG2 3.47Å
9T51.7Low54.2Low76 Ų7685.7 Ų85.747%0.46648%0.477SS..Hα-helixtrans-74.2-47-17545.80000113.5N6 A11 A12 T13N6-T9 PolarHBondContact O-OG1 3.04Å; T9-A11 VanDerWaalsContact C-N 3.27Å; T9-A11 PolarHBondContact O-N 2.76Å; T9-A12 PolarHBondContact O-N 3.39Å; T9-A12 VanDerWaalsContact O-N 3.15Å; T9-T13 WeakPolarHBondContact O-CG2 3.33Å; T9-T13 PolarHBondContact O-N 3.23Å; T9-T13 VanDerWaalsContact O-N 3.16Å; T9-T13 PolarHBondContact O-OG1 2.84Å
10M52.8Low55Low106 Ų10681.8 Ų81.852%0.52246%0.455SS..Hα-helixtrans-62.4-29.4-173.7-67.8-67.2-75.900114.2T13M10-T13 PolarHBondContact O-OG1 2.96Å
11A54.7Low55.7Low1 Ų181.3 Ų81.31%0.00846%0.458CS..Hα-helixtrans-82-36.3176.200000112.5T9 I69 I82 L98T9-A11 VanDerWaalsContact C-N 3.27Å; T9-A11 PolarHBondContact O-N 2.76Å; A11-I69 HydrophobicContact CB-CD1 3.39Å; A11-I82 HydrophobicContact CB-CD1 4.09Å; A11-L98 HydrophobicContact CB-CD1 4.24Å; A11-L98 HydrophobicContact CB-CD2 4.08Å
12A53.7Low56.9Low64 Ų6473.2 Ų73.253%0.52943%0.432SS..Hα-helixtrans-75.9-25.2-175.600000113.7N8 T9 Q78N8-A12 WeakPolarHBondContact O-CB 3.3Å; T9-A12 PolarHBondContact O-N 3.39Å; T9-A12 VanDerWaalsContact O-N 3.15Å; A12-Q78 PolarHBondContact O-NE2 3.48Å
13T58.5Low59Low101 Ų10167.9 Ų67.962%0.6241%0.411SS*.THydrogen-bonded Turntrans-77.8-19.7-179.849.30000114.4T9 M10 S15T9-T13 WeakPolarHBondContact O-CG2 3.33Å; T9-T13 PolarHBondContact O-N 3.23Å; T9-T13 VanDerWaalsContact O-N 3.16Å; T9-T13 PolarHBondContact O-OG1 2.84Å; M10-T13 PolarHBondContact O-OG1 2.96Å; T13-S15 PolarHBondContact O-N 2.91Å
14L69.5Low61.1Low17 Ų1769 Ų699%0.08941%0.411CS..SBendtrans-76.4116.9-180-68175.7000111Q18 L19 Q78 L101L14-Q18 HydrophobicContact CD2-CB 4.48Å; L14-L19 HydrophobicContact CB-CD1 4.38Å; L14-L19 HydrophobicContact CB-CD2 3.86Å; L14-L19 HydrophobicContact CB-CG 3.9Å; L14-L19 HydrophobicContact CD1-CD2 3.86Å; L14-Q78 PolarHBondContact O-NE2 3.41Å; L14-L101 HydrophobicContact CD1-CB 3.8Å; L14-L101 HydrophobicContact CD1-CD1 4.04Å
15S74.2Confident63Low51 Ų5167 Ų6736%0.35740%0.398SS..  trans-65.9157.9176.570.60000112T13 T17 Q18 L19T13-S15 PolarHBondContact O-N 2.91Å; S15-T17 PolarHBondContact O-N 2.78Å; S15-T17 VanDerWaalsContact O-N 3.16Å; S15-Q18 VanDerWaalsContact CB-OE1 3.27Å; S15-Q18 PolarHBondContact O-N 3.46Å; S15-Q18 WeakPolarHBondContact OG-CG 3.49Å; S15-Q18 PolarHBondContact OG-N 3.27Å; S15-Q18 PolarHBondContact OG-OE1 3.35Å; S15-L19 PolarHBondContact O-N 2.85Å
16L74.2Confident65.2Low54 Ų5465.1 Ų65.128%0.28338%0.378SS..Hα-helixtrans-54.6-36.4177.8-162.579.8000112.4S20 K77 F81L16-S20 WeakPolarHBondContact O-CB 3.46Å; L16-S20 PolarHBondContact O-N 3.25Å; L16-K77 HydrophobicContact CD1-CD 4.19Å; L16-K77 HydrophobicContact CD1-CG 4.01Å; L16-K77 HydrophobicContact CD2-CD 4.06Å; L16-F81 HydrophobicContact CD1-CB 4.16Å; L16-F81 HydrophobicContact CD1-CD1 3.37Å; L16-F81 HydrophobicContact CD1-CD2 3.8Å; L16-F81 HydrophobicContact CD1-CE1 3.52Å; L16-F81 HydrophobicContact CD1-CE2 3.94Å; L16-F81 HydrophobicContact CD1-CG 3.52Å; L16-F81 HydrophobicContact CD1-CZ 3.81Å; L16-F81 HydrophobicContact CD2-CE1 3.98Å; L16-F81 HydrophobicContact CD2-CZ 4.08Å; L16-F81 HydrophobicContact CG-CD1 3.68Å; L16-F81 HydrophobicContact CG-CE1 3.48Å; L16-F81 VanDerWaalsContact CG-CE1 3.48Å; L16-F81 HydrophobicContact CG-CG 4.34Å; L16-F81 HydrophobicContact CG-CZ 4Å
17T73.2Confident67.2Low101 Ų10160.9 Ų60.962%0.6236%0.355SS*.Hα-helixtrans-67.6-40.4178.5-470000112.2S15 S20 S21 G22S15-T17 PolarHBondContact O-N 2.78Å; S15-T17 VanDerWaalsContact O-N 3.16Å; T17-S20 PolarHBondContact O-N 2.8Å; T17-S21 PolarHBondContact O-N 3Å; T17-S21 VanDerWaalsContact O-N 3.09Å; T17-G22 PolarHBondContact O-N 2.8Å; T17-G22 VanDerWaalsContact O-N 3.14Å
18Q74.3Confident68.8Low117 Ų11757.5 Ų57.555%0.54735%0.345SS..Hα-helixtrans-67-48.5175.9-71.4161.5-70.700110.9L14 S15 S20 S21L14-Q18 HydrophobicContact CD2-CB 4.48Å; S15-Q18 VanDerWaalsContact CB-OE1 3.27Å; S15-Q18 PolarHBondContact O-N 3.46Å; S15-Q18 WeakPolarHBondContact OG-CG 3.49Å; S15-Q18 PolarHBondContact OG-N 3.27Å; S15-Q18 PolarHBondContact OG-OE1 3.35Å; Q18-S20 VanDerWaalsContact C-N 3.26Å; Q18-S20 PolarHBondContact O-N 3.21Å; Q18-S21 PolarHBondContact O-N 3.14Å
19L75.7Confident70.6Confident2 Ų254.9 Ų54.91%0.0133%0.329CS..Hα-helixtrans-61-35.1176.2-65.9167.3000112.5L14 S15 S21 Q78 F81 I82 R85L14-L19 HydrophobicContact CB-CD1 4.38Å; L14-L19 HydrophobicContact CB-CD2 3.86Å; L14-L19 HydrophobicContact CB-CG 3.9Å; L14-L19 HydrophobicContact CD1-CD2 3.86Å; S15-L19 PolarHBondContact O-N 2.85Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-Q78 HydrophobicContact CD1-CG 3.77Å; L19-F81 HydrophobicContact CB-CB 3.97Å; L19-F81 HydrophobicContact CB-CD1 4.45Å; L19-F81 HydrophobicContact CD1-CB 4.11Å; L19-I82 HydrophobicContact CD1-CD1 4.44Å; L19-I82 HydrophobicContact CD1-CG1 3.84Å; L19-I82 HydrophobicContact CD2-CG1 3.71Å; L19-I82 HydrophobicContact CG-CG1 4.44Å; L19-R85 HydrophobicContact CB-CG 4.48Å; L19-R85 HydrophobicContact CD2-CG 4.45Å; L19-R85 WeakPolarHBondContact O-CD 3.44Å; L19-R85 WeakPolarHBondContact O-CG 3.41Å; L19-R85 PolarHBondContact O-NE 2.96Å
20S70.5Confident72.1Confident7 Ų752 Ų525%0.04931%0.31CS..Hα-helixtrans-74.5-18.6176-174.70000113.2L16 T17 Q18 G22 N23L16-S20 WeakPolarHBondContact O-CB 3.46Å; L16-S20 PolarHBondContact O-N 3.25Å; T17-S20 PolarHBondContact O-N 2.8Å; Q18-S20 VanDerWaalsContact C-N 3.26Å; Q18-S20 PolarHBondContact O-N 3.21Å; S20-G22 PolarHBondContact O-N 2.83Å; S20-N23 VanDerWaalsContact O-CB 3.32Å; S20-N23 WeakPolarHBondContact O-CB 3.44Å; S20-N23 PolarHBondContact O-N 3.4Å; S20-N23 PolarHBondContact OG-N 3.37Å; S20-N23 PolarHBondContact OG-O 2.83Å
21S69.8Low73.5Confident73 Ų7354.2 Ų54.251%0.5131%0.312SS..THydrogen-bonded Turntrans49.529.8-161.561.20000113.1T17 Q18 L19 N23T17-S21 PolarHBondContact O-N 3Å; T17-S21 VanDerWaalsContact O-N 3.09Å; Q18-S21 PolarHBondContact O-N 3.14Å; L19-S21 VanDerWaalsContact C-N 3.3Å; S21-N23 PolarHBondContact O-N 2.68Å
22G66.9Low74.8Confident53 Ų5357.4 Ų57.455%0.54633%0.327SS..THydrogen-bonded Turntrans715.4-172.300000116.1T17 S20T17-G22 PolarHBondContact O-N 2.8Å; T17-G22 VanDerWaalsContact O-N 3.14Å; S20-G22 PolarHBondContact O-N 2.83Å
23N76.4Confident76.1Confident47 Ų4755.2 Ų55.225%0.25131%0.307SS..  trans-85.6118.2-172.1-167.7-39.8000112.6S20 S21 I25 Y26S20-N23 VanDerWaalsContact O-CB 3.32Å; S20-N23 WeakPolarHBondContact O-CB 3.44Å; S20-N23 PolarHBondContact O-N 3.4Å; S20-N23 PolarHBondContact OG-N 3.37Å; S20-N23 PolarHBondContact OG-O 2.83Å; S21-N23 PolarHBondContact O-N 2.68Å; N23-I25 HydrophobicContact CB-CG2 4.42Å; N23-I25 PolarHBondContact O-N 3.19Å; N23-I25 WeakPolarHBondContact OD1-CB 3.47Å; N23-I25 VanDerWaalsContact OD1-CG2 3.27Å; N23-I25 WeakPolarHBondContact OD1-CG2 3.32Å; N23-I25 PolarHBondContact OD1-N 2.78Å; N23-Y26 HydrophobicContact CB-CD2 4.44Å; N23-Y26 PolarHBondContact O-N 3.35Å
24P77.8Confident77.2Confident101 Ų10150.7 Ų50.766%0.65628%0.279SS*.THydrogen-bonded Turntrans-64.2-9.8-175.727.6-36.4000114.6Y26 D27 K28P24-Y26 VanDerWaalsContact C-N 3.27Å; P24-Y26 PolarHBondContact O-N 2.84Å; P24-D27 PolarHBondContact O-N 3.06Å; P24-K28 PolarHBondContact O-N 2.91Å
25I79.4Confident77.4Confident39 Ų3955.1 Ų55.120%0.231%0.309CS..Hα-helixtrans-62.2-32.8175.3-154.276.6000112.5N23 D27 K28 Y29 P107N23-I25 HydrophobicContact CB-CG2 4.42Å; N23-I25 PolarHBondContact O-N 3.19Å; N23-I25 WeakPolarHBondContact OD1-CB 3.47Å; N23-I25 VanDerWaalsContact OD1-CG2 3.27Å; N23-I25 WeakPolarHBondContact OD1-CG2 3.32Å; N23-I25 PolarHBondContact OD1-N 2.78Å; I25-D27 VanDerWaalsContact C-N 3.34Å; I25-D27 PolarHBondContact O-N 2.93Å; I25-K28 HydrophobicContact CD1-CB 4.45Å; I25-K28 HydrophobicContact CD1-CD 3.69Å; I25-K28 WeakPolarHBondContact O-CB 3.45Å; I25-K28 PolarHBondContact O-N 2.9Å; I25-K28 VanDerWaalsContact O-N 3.12Å; I25-Y29 HydrophobicContact CB-CE2 4.32Å; I25-Y29 HydrophobicContact CD1-CE1 4.28Å; I25-Y29 HydrophobicContact CG1-CD1 4.49Å; I25-Y29 HydrophobicContact CG1-CD2 4.04Å; I25-Y29 HydrophobicContact CG1-CE1 3.95Å; I25-Y29 HydrophobicContact CG1-CE2 3.41Å; I25-Y29 VanDerWaalsContact CG1-CE2 3.41Å; I25-Y29 HydrophobicContact CG2-CE2 4.12Å; I25-Y29 WeakPolarHBondContact O-CD2 3.37Å; I25-Y29 VanDerWaalsContact O-CG 3.32Å; I25-Y29 PolarHBondContact O-N 2.96Å; I25-P107 HydrophobicContact CG2-CB 3.89Å
26Y80.8Confident77.3Confident0 Ų057.7 Ų57.70%032%0.323CS..Hα-helixtrans-63.8-40177.9-80.3-106.5000111.6N23 P24 Y30 F81 L84 R85 P108N23-Y26 HydrophobicContact CB-CD2 4.44Å; N23-Y26 PolarHBondContact O-N 3.35Å; P24-Y26 VanDerWaalsContact C-N 3.27Å; P24-Y26 PolarHBondContact O-N 2.84Å; Y26-Y30 WeakPolarHBondContact O-CB 3.4Å; Y26-Y30 PolarHBondContact O-N 2.79Å; Y26-F81 VanDerWaalsContact CB-CE1 3.42Å; Y26-F81 HydrophobicContact CD1-CB 4.35Å; Y26-F81 AromaticContact CD1-CD1 3.85Å; Y26-F81 HydrophobicContact CD1-CD1 3.85Å; Y26-F81 HydrophobicContact CD1-CE1 4.35Å; Y26-F81 HydrophobicContact CD1-CG 4.02Å; Y26-F81 HydrophobicContact CG-CD1 4.2Å; Y26-F81 HydrophobicContact CG-CE1 4.26Å; Y26-L84 HydrophobicContact CD1-CB 3.65Å; Y26-L84 HydrophobicContact CD1-CD1 3.63Å; Y26-L84 HydrophobicContact CD1-CG 4.33Å; Y26-L84 HydrophobicContact CE1-CB 3.23Å; Y26-L84 HydrophobicContact CE1-CD1 4.1Å; Y26-L84 HydrophobicContact CE1-CG 4.34Å; Y26-L84 HydrophobicContact CG-CD1 4.22Å; Y26-L84 PolarHBondContact OH-O 2.85Å; Y26-R85 HydrophobicContact CE1-CG 4.18Å; Y26-R85 PolarHBondContact OH-NE 2.77Å; Y26-R85 PolarHBondContact OH-NH2 3.18Å; Y26-P108 HydrophobicContact CE2-CG 4.44Å; Y26-P108 VanDerWaalsContact OH-CD 3.22Å; Y26-P108 WeakPolarHBondContact OH-CD 3.46Å
27D83.1Confident77.4Confident41 Ų4158.2 Ų58.222%0.21934%0.342CS..Hα-helixtrans-74.1-27.8172.4-89.4-77.5000113.3P24 I25 R31 K77P24-D27 PolarHBondContact O-N 3.06Å; I25-D27 VanDerWaalsContact C-N 3.34Å; I25-D27 PolarHBondContact O-N 2.93Å; D27-R31 WeakPolarHBondContact O-CB 3.31Å; D27-R31 WeakPolarHBondContact O-CG 3.43Å; D27-R31 PolarHBondContact O-N 2.97Å; D27-R31 PolarHBondContact O-NE 2.96Å; D27-R31 PolarHBondContact O-NH2 2.76Å; D27-K77 WeakPolarHBondContact OD1-CE 3.29Å; D27-K77 IonicContact OD1-NZ 2.67Å; D27-K77 PolarHBondContact OD1-NZ 3.24Å; D27-K77 IonicContact OD2-NZ 3.44Å
28K82.1Confident77.4Confident83 Ų8356.9 Ų56.936%0.36134%0.336SS..Hα-helixtrans-61.3-55168.4-174.9-163.2174.5-166.90109.6P24 I25 R31 Q32 D112P24-K28 PolarHBondContact O-N 2.91Å; I25-K28 HydrophobicContact CD1-CB 4.45Å; I25-K28 HydrophobicContact CD1-CD 3.69Å; I25-K28 WeakPolarHBondContact O-CB 3.45Å; I25-K28 PolarHBondContact O-N 2.9Å; I25-K28 VanDerWaalsContact O-N 3.12Å; K28-R31 PolarHBondContact O-N 3.28Å; K28-Q32 PolarHBondContact O-N 2.8Å; K28-Q32 VanDerWaalsContact O-N 3.14Å; K28-D112 IonicContact NZ-OD1 2.6Å; K28-D112 PolarHBondContact NZ-OD1 2.91Å
29Y84.1Confident77.5Confident19 Ų1953.1 Ų53.18%0.07533%0.329CS..Hα-helixtrans-63.1-44.9-178.5-62.3-33.3000112.1I25 R31 Q32 V33 F49 L84 P108 F110I25-Y29 HydrophobicContact CB-CE2 4.32Å; I25-Y29 HydrophobicContact CD1-CE1 4.28Å; I25-Y29 HydrophobicContact CG1-CD1 4.49Å; I25-Y29 HydrophobicContact CG1-CD2 4.04Å; I25-Y29 HydrophobicContact CG1-CE1 3.95Å; I25-Y29 HydrophobicContact CG1-CE2 3.41Å; I25-Y29 VanDerWaalsContact CG1-CE2 3.41Å; I25-Y29 HydrophobicContact CG2-CE2 4.12Å; I25-Y29 WeakPolarHBondContact O-CD2 3.37Å; I25-Y29 VanDerWaalsContact O-CG 3.32Å; I25-Y29 PolarHBondContact O-N 2.96Å; Y29-R31 PolarHBondContact O-N 3.36Å; Y29-Q32 WeakPolarHBondContact O-CA 3.25Å; Y29-Q32 VanDerWaalsContact O-CB 3.3Å; Y29-Q32 WeakPolarHBondContact O-CB 3.38Å; Y29-Q32 PolarHBondContact O-N 3.31Å; Y29-V33 WeakPolarHBondContact O-CG2 3.27Å; Y29-V33 PolarHBondContact O-N 3.27Å; Y29-F49 HydrophobicContact CD1-CE1 4.33Å; Y29-F49 HydrophobicContact CD1-CE2 4.43Å; Y29-F49 AromaticContact CD1-CZ 3.54Å; Y29-F49 HydrophobicContact CD1-CZ 3.54Å; Y29-F49 HydrophobicContact CE1-CZ 4.23Å; Y29-F49 HydrophobicContact CG-CE1 4.08Å; Y29-F49 AromaticContact CG-CZ 3.74Å; Y29-F49 HydrophobicContact CG-CZ 3.74Å; Y29-L84 HydrophobicContact CD2-CD1 4.24Å; Y29-L84 HydrophobicContact CD2-CD2 4.27Å; Y29-P108 HydrophobicContact CE2-CG 4.21Å; Y29-P108 PolarHBondContact OH-O 3.41Å; Y29-F110 AromaticContact CD2-CD2 4Å; Y29-F110 HydrophobicContact CD2-CD2 4Å; Y29-F110 HydrophobicContact CD2-CE2 4.15Å; Y29-F110 HydrophobicContact CE1-CB 4.16Å; Y29-F110 HydrophobicContact CE1-CD2 4.19Å; Y29-F110 HydrophobicContact CE1-CG 4.44Å; Y29-F110 AromaticContact CE2-CD2 3.47Å; Y29-F110 HydrophobicContact CE2-CD2 3.47Å; Y29-F110 VanDerWaalsContact CE2-CD2 3.47Å; Y29-F110 AromaticContact CE2-CE2 3.96Å; Y29-F110 HydrophobicContact CE2-CE2 3.96Å; Y29-F110 HydrophobicContact CE2-CG 4.45Å; Y29-F110 AromaticContact CZ-CD2 3.57Å
30Y83.6Confident77.7Confident14 Ų1459.2 Ų59.26%0.05535%0.352CS..Hα-helixtrans-59.3-43.7177.6-178.2-93.2000112.9Y26 Q32 V33 D34 G39 R40 V41 K77 F80 F81Y26-Y30 WeakPolarHBondContact O-CB 3.4Å; Y26-Y30 PolarHBondContact O-N 2.79Å; Y30-Q32 PolarHBondContact O-N 2.83Å; Y30-V33 PolarHBondContact O-N 2.93Å; Y30-D34 HydrophobicContact CE1-CB 4.15Å; Y30-D34 PolarHBondContact O-N 3.35Å; Y30-D34 PolarHBondContact OH-OD2 2.9Å; Y30-G39 VanDerWaalsContact OH-CA 3.23Å; Y30-G39 WeakPolarHBondContact OH-CA 3.42Å; Y30-G39 PolarHBondContact OH-O 3.29Å; Y30-R40 PolarHBondContact OH-N 2.87Å; Y30-V41 HydrophobicContact CD2-CG2 4.15Å; Y30-V41 HydrophobicContact CE2-CG2 3.57Å; Y30-K77 HydrophobicContact CD1-CD 4.19Å; Y30-K77 HydrophobicContact CD1-CG 4.05Å; Y30-K77 HydrophobicContact CD2-CB 4.35Å; Y30-K77 HydrophobicContact CD2-CG 3.86Å; Y30-K77 HydrophobicContact CE1-CB 4.37Å; Y30-K77 HydrophobicContact CE1-CD 4.17Å; Y30-K77 HydrophobicContact CE1-CG 4.01Å; Y30-K77 HydrophobicContact CE2-CB 3.83Å; Y30-K77 HydrophobicContact CE2-CG 3.82Å; Y30-K77 HydrophobicContact CG-CG 3.99Å; Y30-F80 HydrophobicContact CD2-CB 4.02Å; Y30-F80 AromaticContact CD2-CD1 3.63Å; Y30-F80 HydrophobicContact CD2-CD1 3.63Å; Y30-F80 HydrophobicContact CD2-CE1 4.32Å; Y30-F80 AromaticContact CD2-CG 3.96Å; Y30-F80 HydrophobicContact CD2-CG 3.96Å; Y30-F80 HydrophobicContact CE2-CB 4.3Å; Y30-F80 HydrophobicContact CG-CD1 4.37Å; Y30-F81 HydrophobicContact CD2-CE2 4.49Å; Y30-F81 HydrophobicContact CG-CE2 4.22Å
31R82.1Confident78.4Confident153 Ų15359 Ų5958%0.57735%0.35SS*.Hα-helixtrans-68.3-17.5174.7-71.1-179.3-62-129.6-4.2113.9D27 K28 Y29 D34 P35D27-R31 WeakPolarHBondContact O-CB 3.31Å; D27-R31 WeakPolarHBondContact O-CG 3.43Å; D27-R31 PolarHBondContact O-N 2.97Å; D27-R31 PolarHBondContact O-NE 2.96Å; D27-R31 PolarHBondContact O-NH2 2.76Å; K28-R31 PolarHBondContact O-N 3.28Å; Y29-R31 PolarHBondContact O-N 3.36Å; R31-D34 CarbonylContact O-C 3.58Å; R31-P35 WeakPolarHBondContact O-CA 3.13Å
32Q80.5Confident79Confident69 Ų6957.5 Ų57.532%0.32234%0.342SS..Hα-helixtrans-80.1-31.7176.4-168.8174.7-13.800111.6K28 Y29 Y30 F49 T113K28-Q32 PolarHBondContact O-N 2.8Å; K28-Q32 VanDerWaalsContact O-N 3.14Å; Y29-Q32 WeakPolarHBondContact O-CA 3.25Å; Y29-Q32 VanDerWaalsContact O-CB 3.3Å; Y29-Q32 WeakPolarHBondContact O-CB 3.38Å; Y29-Q32 PolarHBondContact O-N 3.31Å; Y30-Q32 PolarHBondContact O-N 2.83Å; Q32-F49 HydrophobicContact CG-CE2 4.36Å; Q32-T113 PolarHBondContact NE2-O 2.89Å; Q32-T113 PolarHBondContact NE2-OG1 2.85Å
33V81.8Confident79.8Confident18 Ų1856.4 Ų56.411%0.10933%0.328CS..Hα-helixtrans-96-23.2176.2-149.70000113.6Y29 Y30 P35 V41 D45 F49 F80Y29-V33 WeakPolarHBondContact O-CG2 3.27Å; Y29-V33 PolarHBondContact O-N 3.27Å; Y30-V33 PolarHBondContact O-N 2.93Å; V33-P35 WeakPolarHBondContact O-CD 3.21Å; V33-V41 HydrophobicContact CB-CG1 3.87Å; V33-V41 HydrophobicContact CB-CG2 4.48Å; V33-V41 HydrophobicContact CG1-CG1 3.37Å; V33-D45 VanDerWaalsContact CG1-C 3.48Å; V33-D45 HydrophobicContact CG1-CB 3.76Å; V33-D45 VanDerWaalsContact CG1-O 3.32Å; V33-D45 WeakPolarHBondContact CG1-O 3.34Å; V33-F49 HydrophobicContact CG1-CB 4.1Å; V33-F49 HydrophobicContact CG2-CB 3.53Å; V33-F49 HydrophobicContact CG2-CD1 3.78Å; V33-F49 HydrophobicContact CG2-CD2 3.57Å; V33-F49 HydrophobicContact CG2-CE1 4.45Å; V33-F49 HydrophobicContact CG2-CE2 4.26Å; V33-F49 HydrophobicContact CG2-CG 3.3Å; V33-F80 HydrophobicContact CB-CE2 4.41Å; V33-F80 HydrophobicContact CB-CZ 4.27Å; V33-F80 HydrophobicContact CG2-CE1 4.41Å; V33-F80 HydrophobicContact CG2-CE2 3.99Å; V33-F80 HydrophobicContact CG2-CZ 3.51Å
34D81.4Confident80Confident6 Ų657.3 Ų57.33%0.03234%0.342CS..  trans-116.473162.8-177.817.4000112Y30 R31 T36 G37 S38 G39 V41Y30-D34 HydrophobicContact CE1-CB 4.15Å; Y30-D34 PolarHBondContact O-N 3.35Å; Y30-D34 PolarHBondContact OH-OD2 2.9Å; R31-D34 CarbonylContact O-C 3.58Å; D34-T36 PolarHBondContact O-N 3.47Å; D34-T36 PolarHBondContact OD1-N 2.84Å; D34-T36 PolarHBondContact OD1-OG1 3.46Å; D34-G37 PolarHBondContact O-N 2.86Å; D34-G37 PolarHBondContact OD1-N 2.86Å; D34-G37 VanDerWaalsContact OD2-C 3.32Å; D34-S38 PolarHBondContact OD1-N 3.22Å; D34-S38 PolarHBondContact OD2-N 2.89Å; D34-G39 PolarHBondContact OD2-N 3.14Å; D34-V41 HydrophobicContact CB-CG2 4.14Å
35P74.3Confident80.2Confident109 Ų10956.4 Ų56.471%0.70833%0.332SS*.THydrogen-bonded Turntrans-65.2-14.2170.1-19.131.9000113.1R31 V33R31-P35 WeakPolarHBondContact O-CA 3.13Å; V33-P35 WeakPolarHBondContact O-CD 3.21Å
36T72Confident80.4Confident105 Ų10554.6 Ų54.664%0.64432%0.322SS*.THydrogen-bonded Turntrans-82.9-12.8179.638.40000114.1D34 S38D34-T36 PolarHBondContact O-N 3.47Å; D34-T36 PolarHBondContact OD1-N 2.84Å; D34-T36 PolarHBondContact OD1-OG1 3.46Å; T36-S38 PolarHBondContact O-N 3.29Å
37G75.3Confident80.5Confident66 Ų6656.8 Ų56.868%0.6834%0.34SS*.  trans60.727.8-172.300000113.1D34 G39D34-G37 PolarHBondContact O-N 2.86Å; D34-G37 PolarHBondContact OD1-N 2.86Å; D34-G37 VanDerWaalsContact OD2-C 3.32Å; G37-G39 PolarHBondContact O-N 2.89Å
38S74.8Confident80.4Confident73 Ų7360.2 Ų60.251%0.5136%0.358SS..  trans-71.9-10.6-177-167.60000113.7D34 T36 R40D34-S38 PolarHBondContact OD1-N 3.22Å; D34-S38 PolarHBondContact OD2-N 2.89Å; T36-S38 PolarHBondContact O-N 3.29Å; S38-R40 PolarHBondContact O-N 3.11Å
39G75.4Confident80.5Confident38 Ų3856.6 Ų56.639%0.39234%0.343SS..SBendtrans74.92.1179.500000114.2Y30 D34 G37Y30-G39 VanDerWaalsContact OH-CA 3.23Å; Y30-G39 WeakPolarHBondContact OH-CA 3.42Å; Y30-G39 PolarHBondContact OH-O 3.29Å; D34-G39 PolarHBondContact OD2-N 3.14Å; G37-G39 PolarHBondContact O-N 2.89Å
40R79.8Confident80.6Confident129 Ų12955.9 Ų55.949%0.48734%0.34SS..EExtended strand (participates in β ladder)trans-144.5131.4-177-54.6-174.4-167.9-79.57108.9Y30 S38 F74 L75 N76Y30-R40 PolarHBondContact OH-N 2.87Å; S38-R40 PolarHBondContact O-N 3.11Å; R40-F74 HydrophobicContact CB-CB 4.25Å; R40-F74 HydrophobicContact CB-CD2 4.09Å; R40-F74 HydrophobicContact CB-CG 4.31Å; R40-F74 HydrophobicContact CG-CD2 4.07Å; R40-F74 HydrophobicContact CG-CE2 4.42Å; R40-F74 VanDerWaalsContact NH1-CE2 3.31Å; R40-L75 WeakPolarHBondContact CA-O 3.23Å; R40-N76 PolarHBondContact NH1-OD1 3.12Å
41V84.5Confident80.6Confident2 Ų260 Ų601%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-104.4125.2176.1-174.90000108Y30 V33 D34 D45 A46 F74 L75 F80Y30-V41 HydrophobicContact CD2-CG2 4.15Å; Y30-V41 HydrophobicContact CE2-CG2 3.57Å; V33-V41 HydrophobicContact CB-CG1 3.87Å; V33-V41 HydrophobicContact CB-CG2 4.48Å; V33-V41 HydrophobicContact CG1-CG1 3.37Å; D34-V41 HydrophobicContact CB-CG2 4.14Å; V41-D45 HydrophobicContact CG1-CB 4.22Å; V41-A46 HydrophobicContact CG1-CB 3.72Å; V41-F74 CarbonylContact O-C 3.58Å; V41-F74 WeakPolarHBondContact O-CA 3.41Å; V41-F74 WeakPolarHBondContact O-CB 3.14Å; V41-L75 PolarHBondContact N-O 3.36Å; V41-L75 PolarHBondContact O-N 2.84Å; V41-F80 HydrophobicContact CG2-CD2 4.26Å
42A83.8Confident80.6Confident42 Ų4254.9 Ų54.935%0.34734%0.341SS..EExtended strand (participates in β ladder)trans-70.8154.1179.900000111.8A44 D45 A46A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 2.96Å; A42-D45 WeakPolarHBondContact CB-OD2 3.37Å; A42-D45 PolarHBondContact O-N 3.14Å; A42-D45 VanDerWaalsContact O-N 3.14Å; A42-A46 WeakPolarHBondContact O-CB 3.44Å; A42-A46 PolarHBondContact O-N 2.91Å
43A82.2Confident80.6Confident30 Ų3052.1 Ų52.125%0.24833%0.329CS..Hα-helixtrans-56.6-39.2-176.100000113.9A47 W64 S73A43-A47 WeakPolarHBondContact O-CB 3.42Å; A43-A47 PolarHBondContact O-N 3.38Å; A43-W64 VanDerWaalsContact CA-CH2 3.42Å; A43-W64 HydrophobicContact CB-CH2 3.48Å; A43-W64 VanDerWaalsContact CB-CH2 3.48Å; A43-W64 HydrophobicContact CB-CZ2 3.63Å; A43-W64 HydrophobicContact CB-CZ3 4.21Å; A43-S73 WeakPolarHBondContact CB-O 3.44Å; A43-S73 PolarHBondContact N-O 2.91Å
44A81.5Confident80.4Confident66 Ų6654.4 Ų54.455%0.54536%0.356SS..Hα-helixtrans-63.5-46.7176.400000112.3A42 A47 L48A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 2.96Å; A44-A47 PolarHBondContact O-N 3Å; A44-L48 WeakPolarHBondContact O-CB 3.46Å; A44-L48 VanDerWaalsContact O-CG 3.27Å; A44-L48 WeakPolarHBondContact O-CG 3.42Å; A44-L48 PolarHBondContact O-N 2.94Å
45D82.1Confident80.5Confident83 Ų8355.6 Ų55.644%0.44436%0.362SS..Hα-helixtrans-68-42.5-177.9-53.6-46.2000111.1V33 V41 A42 F49V33-D45 VanDerWaalsContact CG1-C 3.48Å; V33-D45 HydrophobicContact CG1-CB 3.76Å; V33-D45 VanDerWaalsContact CG1-O 3.32Å; V33-D45 WeakPolarHBondContact CG1-O 3.34Å; V41-D45 HydrophobicContact CG1-CB 4.22Å; A42-D45 WeakPolarHBondContact CB-OD2 3.37Å; A42-D45 PolarHBondContact O-N 3.14Å; A42-D45 VanDerWaalsContact O-N 3.14Å; D45-F49 PolarHBondContact O-N 2.82Å
46A83.4Confident81Confident0 Ų053.5 Ų53.50%035%0.354CS..Hα-helixtrans-64.8-44.217500000112.3V41 A42 F49 L50 W64 L75 F80V41-A46 HydrophobicContact CG1-CB 3.72Å; A42-A46 WeakPolarHBondContact O-CB 3.44Å; A42-A46 PolarHBondContact O-N 2.91Å; A46-F49 PolarHBondContact O-N 2.95Å; A46-L50 WeakPolarHBondContact O-CB 3.42Å; A46-L50 WeakPolarHBondContact O-CG 3.4Å; A46-L50 PolarHBondContact O-N 3.13Å; A46-W64 HydrophobicContact CB-CZ3 3.72Å; A46-L75 HydrophobicContact CB-CD1 4.23Å; A46-F80 HydrophobicContact CB-CE2 4.39Å
47A82.5Confident81.5Confident46 Ų4653.1 Ų53.138%0.3835%0.348SS..Hα-helixtrans-62.9-43.6177.400000111.8A43 A44 F49 L50 K51A43-A47 WeakPolarHBondContact O-CB 3.42Å; A43-A47 PolarHBondContact O-N 3.38Å; A44-A47 PolarHBondContact O-N 3Å; A47-F49 VanDerWaalsContact C-N 3.3Å; A47-F49 PolarHBondContact O-N 3.27Å; A47-L50 PolarHBondContact O-N 2.92Å; A47-K51 WeakPolarHBondContact O-CB 3.26Å; A47-K51 PolarHBondContact O-N 2.93Å
48L82.1Confident81.9Confident113 Ų11356.8 Ų56.859%0.59235%0.35SS*.Hα-helixtrans-62.1-34.9175.4-74.1170.9000112.9A44 Q52A44-L48 WeakPolarHBondContact O-CB 3.46Å; A44-L48 VanDerWaalsContact O-CG 3.27Å; A44-L48 WeakPolarHBondContact O-CG 3.42Å; A44-L48 PolarHBondContact O-N 2.94Å; L48-Q52 PolarHBondContact O-NE2 3.3Å
49F83.9Confident82.4Confident8 Ų855.5 Ų55.54%0.03534%0.338CS..Hα-helixtrans-74.8-46.2174-171.9-93.4000112.2Y29 Q32 V33 D45 A46 A47 K51 Q52 F80 L84 F110Y29-F49 HydrophobicContact CD1-CE1 4.33Å; Y29-F49 HydrophobicContact CD1-CE2 4.43Å; Y29-F49 AromaticContact CD1-CZ 3.54Å; Y29-F49 HydrophobicContact CD1-CZ 3.54Å; Y29-F49 HydrophobicContact CE1-CZ 4.23Å; Y29-F49 HydrophobicContact CG-CE1 4.08Å; Y29-F49 AromaticContact CG-CZ 3.74Å; Y29-F49 HydrophobicContact CG-CZ 3.74Å; Q32-F49 HydrophobicContact CG-CE2 4.36Å; V33-F49 HydrophobicContact CG1-CB 4.1Å; V33-F49 HydrophobicContact CG2-CB 3.53Å; V33-F49 HydrophobicContact CG2-CD1 3.78Å; V33-F49 HydrophobicContact CG2-CD2 3.57Å; V33-F49 HydrophobicContact CG2-CE1 4.45Å; V33-F49 HydrophobicContact CG2-CE2 4.26Å; V33-F49 HydrophobicContact CG2-CG 3.3Å; D45-F49 PolarHBondContact O-N 2.82Å; A46-F49 PolarHBondContact O-N 2.95Å; A47-F49 VanDerWaalsContact C-N 3.3Å; A47-F49 PolarHBondContact O-N 3.27Å; F49-K51 PolarHBondContact O-N 3.48Å; F49-Q52 VanDerWaalsContact O-CB 3.3Å; F49-Q52 WeakPolarHBondContact O-CB 3.48Å; F49-Q52 PolarHBondContact O-N 3.28Å; F49-F80 AromaticContact CD1-CZ 3.86Å; F49-F80 HydrophobicContact CD1-CZ 3.86Å; F49-F80 HydrophobicContact CE1-CZ 4.28Å; F49-L84 HydrophobicContact CE1-CD2 4.2Å; F49-F110 HydrophobicContact CD1-CD1 4.27Å; F49-F110 AromaticContact CD1-CE1 3.85Å; F49-F110 HydrophobicContact CD1-CE1 3.85Å; F49-F110 HydrophobicContact CD1-CZ 4.22Å; F49-F110 AromaticContact CE1-CD1 3.7Å; F49-F110 HydrophobicContact CE1-CD1 3.7Å; F49-F110 HydrophobicContact CE1-CD2 4.21Å; F49-F110 AromaticContact CE1-CE1 3.52Å; F49-F110 HydrophobicContact CE1-CE1 3.52Å; F49-F110 HydrophobicContact CE1-CE2 4.04Å; F49-F110 HydrophobicContact CE1-CG 4.05Å; F49-F110 AromaticContact CE1-CZ 3.71Å; F49-F110 HydrophobicContact CE1-CZ 3.71Å; F49-F110 AromaticContact CZ-CD1 3.92Å; F49-F110 HydrophobicContact CZ-CD1 3.92Å; F49-F110 HydrophobicContact CZ-CD2 4.39Å; F49-F110 HydrophobicContact CZ-CE1 4.23Å; F49-F110 HydrophobicContact CZ-CG 4.01Å; F49-F110 WeakPolarHBondContact O-CE1 3.4Å
50L85.1Confident82.9Confident3 Ų354.4 Ų54.42%0.01632%0.324CS..Hα-helixtrans-59.9-30.7177.7-69.1168.7000111.6A46 A47 Q52 S53 L60 A83 V87A46-L50 WeakPolarHBondContact O-CB 3.42Å; A46-L50 WeakPolarHBondContact O-CG 3.4Å; A46-L50 PolarHBondContact O-N 3.13Å; A47-L50 PolarHBondContact O-N 2.92Å; L50-Q52 PolarHBondContact O-N 2.86Å; L50-S53 VanDerWaalsContact O-CB 3.23Å; L50-S53 WeakPolarHBondContact O-CB 3.27Å; L50-S53 PolarHBondContact O-N 2.92Å; L50-S53 PolarHBondContact O-OG 2.9Å; L50-L60 HydrophobicContact CB-CD2 3.94Å; L50-L60 HydrophobicContact CB-CG 4.34Å; L50-A83 HydrophobicContact CD1-CB 4.38Å; L50-A83 HydrophobicContact CD2-CB 4.28Å; L50-V87 HydrophobicContact CD2-CG2 3.63Å
51K85.3Confident83.1Confident102 Ų10249.7 Ų49.744%0.44332%0.315SS..G310 helixtrans-63.4-22.3173.8-156.1-179.2-175.679.20113.4A47 F49 S53 G54 D57 L60A47-K51 WeakPolarHBondContact O-CB 3.26Å; A47-K51 PolarHBondContact O-N 2.93Å; F49-K51 PolarHBondContact O-N 3.48Å; K51-S53 PolarHBondContact O-N 2.91Å; K51-G54 PolarHBondContact O-N 3.12Å; K51-D57 IonicContact NZ-OD1 2.93Å; K51-D57 PolarHBondContact NZ-OD1 3.44Å; K51-D57 IonicContact NZ-OD2 3.3Å; K51-D57 PolarHBondContact NZ-OD2 3.04Å; K51-L60 HydrophobicContact CB-CD2 4.12Å
52Q80.8Confident83.1Confident45 Ų4555.6 Ų55.621%0.2134%0.341CS..G310 helixtrans-75.4-0.5173.5-60.91683400113.2L48 F49 L50 G54 F110 H111 T113L48-Q52 PolarHBondContact O-NE2 3.3Å; F49-Q52 VanDerWaalsContact O-CB 3.3Å; F49-Q52 WeakPolarHBondContact O-CB 3.48Å; F49-Q52 PolarHBondContact O-N 3.28Å; L50-Q52 PolarHBondContact O-N 2.86Å; Q52-G54 VanDerWaalsContact C-N 3.33Å; Q52-F110 HydrophobicContact CB-CD1 3.92Å; Q52-H111 PolarHBondContact O-CE1 3.44Å; Q52-H111 VanDerWaalsContact O-CE1 3.22Å; Q52-H111 PolarHBondContact O-ND1 2.92Å; Q52-T113 PolarHBondContact OE1-OG1 3.27Å
53S80.3Confident83.3Confident10 Ų1053.6 Ų53.67%0.0732%0.324CS..G310 helixtrans-79.3-11.5170.268.70000114L50 K51 L55 Q91L50-S53 VanDerWaalsContact O-CB 3.23Å; L50-S53 WeakPolarHBondContact O-CB 3.27Å; L50-S53 PolarHBondContact O-N 2.92Å; L50-S53 PolarHBondContact O-OG 2.9Å; K51-S53 PolarHBondContact O-N 2.91Å; S53-L55 PolarHBondContact O-N 3.41Å; S53-L55 PolarHBondContact OG-N 3.04Å; S53-Q91 PolarHBondContact O-NE2 2.91Å
54G77.6Confident83.5Confident66 Ų6654.2 Ų54.268%0.6832%0.32SS*.  trans73.82.1-176.700000115.3K51 Q52K51-G54 PolarHBondContact O-N 3.12Å; Q52-G54 VanDerWaalsContact C-N 3.33Å
55L84.3Confident83.6Confident32 Ų3256.7 Ų56.717%0.16832%0.324CS..  trans-72.7152.2174.1-62.1171.7000111.2S53 L60 I63 V87 A90 Q91S53-L55 PolarHBondContact O-N 3.41Å; S53-L55 PolarHBondContact OG-N 3.04Å; L55-L60 HydrophobicContact CB-CD1 3.59Å; L55-L60 WeakPolarHBondContact O-CD1 3.21Å; L55-I63 HydrophobicContact CD1-CD1 3.8Å; L55-V87 HydrophobicContact CD1-CB 4.29Å; L55-V87 HydrophobicContact CD1-CG1 4.01Å; L55-V87 HydrophobicContact CD1-CG2 4.21Å; L55-A90 HydrophobicContact CD1-CB 3.61Å; L55-A90 HydrophobicContact CD2-CB 3.88Å; L55-A90 HydrophobicContact CG-CB 4.42Å; L55-Q91 HydrophobicContact CD1-CG 4.35Å; L55-Q91 HydrophobicContact CD2-CG 4.05Å; L55-Q91 HydrophobicContact CG-CG 4.23Å
56A84.8Confident83.7Confident65 Ų6555.1 Ų55.154%0.53732%0.315SS..  trans-68.5146178.600000112.4M58 V59 L60A56-M58 PolarHBondContact O-N 3.38Å; A56-M58 VanDerWaalsContact O-N 3.11Å; A56-V59 HydrophobicContact CB-CG2 4.41Å; A56-V59 WeakPolarHBondContact O-CA 3.34Å; A56-V59 WeakPolarHBondContact O-CB 3.4Å; A56-V59 PolarHBondContact O-N 3.04Å; A56-L60 VanDerWaalsContact O-CD1 3.26Å; A56-L60 WeakPolarHBondContact O-CD1 3.34Å; A56-L60 PolarHBondContact O-N 3.05Å
57D82.6Confident83.6Confident97 Ų9755.1 Ų55.152%0.51932%0.315SS..Hα-helixtrans-58.3-31.7-173.5-72.3-26000113.8K51 V59 L60 G61K51-D57 IonicContact NZ-OD1 2.93Å; K51-D57 PolarHBondContact NZ-OD1 3.44Å; K51-D57 IonicContact NZ-OD2 3.3Å; K51-D57 PolarHBondContact NZ-OD2 3.04Å; D57-V59 VanDerWaalsContact C-N 3.31Å; D57-V59 PolarHBondContact O-N 2.8Å; D57-L60 WeakPolarHBondContact O-CB 3.34Å; D57-L60 PolarHBondContact O-N 3.12Å; D57-G61 PolarHBondContact O-N 3.05Å
58M83.7Confident83.6Confident143 Ų14353.6 Ų53.670%0.70430%0.301SS*.Hα-helixtrans-62.5-35.8172.5-175.564.172.300112.7A56 K62A56-M58 PolarHBondContact O-N 3.38Å; A56-M58 VanDerWaalsContact O-N 3.11Å; M58-K62 PolarHBondContact O-N 3.19Å
59V85.1Confident83.1Confident45 Ų4550.5 Ų50.527%0.27328%0.284SS..Hα-helixtrans-75.2-38.6175.5-176.10000110A56 D57 G61 K62 I63 A90 V96A56-V59 HydrophobicContact CB-CG2 4.41Å; A56-V59 WeakPolarHBondContact O-CA 3.34Å; A56-V59 WeakPolarHBondContact O-CB 3.4Å; A56-V59 PolarHBondContact O-N 3.04Å; D57-V59 VanDerWaalsContact C-N 3.31Å; D57-V59 PolarHBondContact O-N 2.8Å; V59-G61 VanDerWaalsContact C-N 3.32Å; V59-G61 PolarHBondContact O-N 3.18Å; V59-K62 PolarHBondContact O-N 3.21Å; V59-I63 HydrophobicContact CG1-CD1 4.06Å; V59-I63 HydrophobicContact CG1-CG1 4.47Å; V59-I63 VanDerWaalsContact O-CG1 3.3Å; V59-I63 WeakPolarHBondContact O-CG1 3.43Å; V59-I63 PolarHBondContact O-N 2.91Å; V59-A90 HydrophobicContact CG1-CB 4.2Å; V59-V96 HydrophobicContact CG1-CG2 4.04Å
60L85.3Confident82.3Confident16 Ų1654.7 Ų54.78%0.08430%0.304CS..Hα-helixtrans-60.3-40172.5-84.674.5000112.3L50 K51 L55 A56 D57 I63 W64L50-L60 HydrophobicContact CB-CD2 3.94Å; L50-L60 HydrophobicContact CB-CG 4.34Å; K51-L60 HydrophobicContact CB-CD2 4.12Å; L55-L60 HydrophobicContact CB-CD1 3.59Å; L55-L60 WeakPolarHBondContact O-CD1 3.21Å; A56-L60 VanDerWaalsContact O-CD1 3.26Å; A56-L60 WeakPolarHBondContact O-CD1 3.34Å; A56-L60 PolarHBondContact O-N 3.05Å; D57-L60 WeakPolarHBondContact O-CB 3.34Å; D57-L60 PolarHBondContact O-N 3.12Å; L60-I63 PolarHBondContact O-N 3.3Å; L60-W64 WeakPolarHBondContact O-CB 3.32Å; L60-W64 PolarHBondContact O-N 2.82Å
61G83.6Confident81.7Confident30 Ų3065.4 Ų65.431%0.30934%0.344SS..Hα-helixtrans-57.8-49.2173.700000111.9D57 V59 I63 W64 D65D57-G61 PolarHBondContact O-N 3.05Å; V59-G61 VanDerWaalsContact C-N 3.32Å; V59-G61 PolarHBondContact O-N 3.18Å; G61-I63 VanDerWaalsContact C-N 3.35Å; G61-I63 PolarHBondContact O-N 2.85Å; G61-W64 WeakPolarHBondContact O-CB 3.44Å; G61-W64 PolarHBondContact O-N 3.34Å; G61-W64 VanDerWaalsContact O-N 3.14Å; G61-D65 PolarHBondContact O-N 3.16Å
62K85.1Confident80.6Confident126 Ų12664.4 Ų64.455%0.54834%0.34SS..Hα-helixtrans-61.6-39.3175.4-66.7176-177.4-178.90112.7M58 V59 L66M58-K62 PolarHBondContact O-N 3.19Å; V59-K62 PolarHBondContact O-N 3.21Å; K62-L66 WeakPolarHBondContact O-CB 3.3Å; K62-L66 WeakPolarHBondContact O-CD1 3.49Å; K62-L66 VanDerWaalsContact O-CG 3.24Å; K62-L66 WeakPolarHBondContact O-CG 3.45Å; K62-L66 PolarHBondContact O-N 2.88Å
63I87.1Confident80.3Confident0 Ų066.7 Ų66.70%036%0.361CS..Hα-helixtrans-64.4-41.3174.1-69.2171.3000111L55 V59 L60 G61 A67 A83 L86 V87 A90 V96L55-I63 HydrophobicContact CD1-CD1 3.8Å; V59-I63 HydrophobicContact CG1-CD1 4.06Å; V59-I63 HydrophobicContact CG1-CG1 4.47Å; V59-I63 VanDerWaalsContact O-CG1 3.3Å; V59-I63 WeakPolarHBondContact O-CG1 3.43Å; V59-I63 PolarHBondContact O-N 2.91Å; L60-I63 PolarHBondContact O-N 3.3Å; G61-I63 VanDerWaalsContact C-N 3.35Å; G61-I63 PolarHBondContact O-N 2.85Å; I63-A67 WeakPolarHBondContact O-CB 3.46Å; I63-A67 PolarHBondContact O-N 3.29Å; I63-A67 VanDerWaalsContact O-N 3.16Å; I63-A83 HydrophobicContact CG2-CB 4.02Å; I63-L86 HydrophobicContact CG1-CB 4.06Å; I63-L86 HydrophobicContact CG2-CB 4.05Å; I63-V87 HydrophobicContact CD1-CG2 3.82Å; I63-V87 HydrophobicContact CG2-CG2 4.34Å; I63-A90 HydrophobicContact CD1-CB 4.42Å; I63-V96 HydrophobicContact CG1-CG1 3.52Å
64W86.4Confident80.4Confident43 Ų4369 Ų6916%0.16337%0.37CS..Hα-helixtrans-63.3-52.9178.1178-87.5000111.3A43 A46 L60 G61 L66 A67 D68 L75A43-W64 VanDerWaalsContact CA-CH2 3.42Å; A43-W64 HydrophobicContact CB-CH2 3.48Å; A43-W64 VanDerWaalsContact CB-CH2 3.48Å; A43-W64 HydrophobicContact CB-CZ2 3.63Å; A43-W64 HydrophobicContact CB-CZ3 4.21Å; A46-W64 HydrophobicContact CB-CZ3 3.72Å; L60-W64 WeakPolarHBondContact O-CB 3.32Å; L60-W64 PolarHBondContact O-N 2.82Å; G61-W64 WeakPolarHBondContact O-CB 3.44Å; G61-W64 PolarHBondContact O-N 3.34Å; G61-W64 VanDerWaalsContact O-N 3.14Å; W64-L66 PolarHBondContact O-N 2.87Å; W64-A67 CarbonylContact O-C 3.48Å; W64-A67 PolarHBondContact O-N 2.93Å; W64-D68 HydrophobicContact CZ2-CB 4.03Å; W64-D68 PolarHBondContact O-N 3.18Å; W64-L75 HydrophobicContact CE3-CD1 4.07Å; W64-L75 HydrophobicContact CE3-CD2 4.43Å; W64-L75 HydrophobicContact CE3-CG 4.34Å; W64-L75 HydrophobicContact CH2-CD1 4.13Å; W64-L75 HydrophobicContact CH2-CD2 3.77Å; W64-L75 HydrophobicContact CH2-CG 3.54Å; W64-L75 HydrophobicContact CZ2-CD2 4.16Å; W64-L75 HydrophobicContact CZ2-CG 4.41Å; W64-L75 HydrophobicContact CZ3-CD1 3.53Å; W64-L75 HydrophobicContact CZ3-CD2 3.93Å; W64-L75 HydrophobicContact CZ3-CG 3.51Å
65D84.6Confident80.6Confident117 Ų11765.9 Ų65.963%0.62634%0.337SS*.Hα-helixtrans-63.2-27.9-177.3-69.8-23.2000113.1G61G61-D65 PolarHBondContact O-N 3.16Å
66L83.5Confident80.7Confident50 Ų5066.1 Ų66.126%0.26234%0.339SS..Hα-helixtrans-83.3-17.2174.2-67173.4000113.5K62 W64 I69 L86 V96 L98K62-L66 WeakPolarHBondContact O-CB 3.3Å; K62-L66 WeakPolarHBondContact O-CD1 3.49Å; K62-L66 VanDerWaalsContact O-CG 3.24Å; K62-L66 WeakPolarHBondContact O-CG 3.45Å; K62-L66 PolarHBondContact O-N 2.88Å; W64-L66 PolarHBondContact O-N 2.87Å; L66-I69 WeakPolarHBondContact O-CG1 3.41Å; L66-L86 HydrophobicContact CB-CD1 3.7Å; L66-L86 HydrophobicContact CD1-CD1 4.34Å; L66-V96 HydrophobicContact CD1-CG1 4.14Å; L66-V96 VanDerWaalsContact CD1-O 3.23Å; L66-V96 WeakPolarHBondContact CD1-O 3.33Å; L66-L98 HydrophobicContact CB-CD2 4.32Å; L66-L98 HydrophobicContact CD2-CD1 4.48Å; L66-L98 HydrophobicContact CD2-CG 4.28Å
67A82.5Confident80.6Confident0 Ų066.1 Ų66.10%033%0.327CS..Hα-helixtrans-93.4-41.2174.300000112.2I63 W64 I69 L75 Q79 A83I63-A67 WeakPolarHBondContact O-CB 3.46Å; I63-A67 PolarHBondContact O-N 3.29Å; I63-A67 VanDerWaalsContact O-N 3.16Å; W64-A67 CarbonylContact O-C 3.48Å; W64-A67 PolarHBondContact O-N 2.93Å; A67-I69 PolarHBondContact O-N 3.43Å; A67-L75 HydrophobicContact CB-CD1 4.43Å; A67-L75 HydrophobicContact CB-CD2 4.04Å; A67-Q79 WeakPolarHBondContact O-CB 3.49Å; A67-Q79 WeakPolarHBondContact O-CG 3.26Å; A67-Q79 PolarHBondContact O-NE2 3.45Å; A67-A83 HydrophobicContact CB-CB 3.89Å
68D82.5Confident80.7Confident15 Ų1565 Ų658%0.0832%0.318CS..  trans-84.256.5175.1-171.418.4000112.4W64 E70 R71 K72 L75W64-D68 HydrophobicContact CZ2-CB 4.03Å; W64-D68 PolarHBondContact O-N 3.18Å; D68-E70 PolarHBondContact O-N 2.68Å; D68-R71 PolarHBondContact O-N 2.81Å; D68-R71 WeakPolarHBondContact OD1-CA 3.45Å; D68-R71 PolarHBondContact OD1-N 2.98Å; D68-R71 VanDerWaalsContact OD2-CA 3.24Å; D68-R71 WeakPolarHBondContact OD2-CA 3.33Å; D68-K72 PolarHBondContact OD1-N 2.93Å; D68-K72 VanDerWaalsContact OD1-O 3.1Å; D68-K72 PolarHBondContact OD2-N 3.47Å; D68-K72 VanDerWaalsContact OD2-N 3.14Å; D68-L75 HydrophobicContact CB-CD2 3.92Å
69I70.7Confident80.8Confident48 Ų4859 Ų5925%0.24629%0.289CS..THydrogen-bonded Turntrans-57.4-20.3175.4-59.9175.2000111.9N8 A11 L66 A67 L98N8-I69 HydrophobicContact CB-CG2 4.19Å; N8-I69 VanDerWaalsContact CG-CG2 3.45Å; N8-I69 WeakPolarHBondContact ND2-CG2 3.47Å; A11-I69 HydrophobicContact CB-CD1 3.39Å; L66-I69 WeakPolarHBondContact O-CG1 3.41Å; A67-I69 PolarHBondContact O-N 3.43Å; I69-L98 HydrophobicContact CD1-CD1 4.28Å
70E68.2Low80.8Confident95 Ų9556.9 Ų56.944%0.44428%0.276SS..THydrogen-bonded Turntrans-92-7.4179.4-55.6-156.997.600114.3D68 K72 N76D68-E70 PolarHBondContact O-N 2.68Å; E70-K72 HydrophobicContact CB-CB 4.42Å; E70-K72 HydrophobicContact CB-CD 3.8Å; E70-K72 HydrophobicContact CB-CG 3.88Å; E70-K72 PolarHBondContact O-N 3.43Å; E70-K72 IonicContact OE1-NZ 2.86Å; E70-K72 PolarHBondContact OE1-NZ 3.27Å; E70-K72 WeakPolarHBondContact OE2-CD 3.43Å; E70-K72 WeakPolarHBondContact OE2-CE 3.31Å; E70-K72 IonicContact OE2-NZ 3.04Å; E70-K72 PolarHBondContact OE2-NZ 3.26Å; E70-N76 PolarHBondContact OE2-ND2 3.13Å
71R70.9Confident80.9Confident229 Ų22956.1 Ų56.186%0.86427%0.272SS*.  trans47.240.1-166-62.4-157.2-164.889.4-5114D68D68-R71 PolarHBondContact O-N 2.81Å; D68-R71 WeakPolarHBondContact OD1-CA 3.45Å; D68-R71 PolarHBondContact OD1-N 2.98Å; D68-R71 VanDerWaalsContact OD2-CA 3.24Å; D68-R71 WeakPolarHBondContact OD2-CA 3.33Å
72K63.6Low81Confident80 Ų8054.9 Ų54.935%0.34826%0.258SS..  trans-100.7128.3173.4-66173.1-167.1163.30106.5D68 E70 F74D68-K72 PolarHBondContact OD1-N 2.93Å; D68-K72 VanDerWaalsContact OD1-O 3.1Å; D68-K72 PolarHBondContact OD2-N 3.47Å; D68-K72 VanDerWaalsContact OD2-N 3.14Å; E70-K72 HydrophobicContact CB-CB 4.42Å; E70-K72 HydrophobicContact CB-CD 3.8Å; E70-K72 HydrophobicContact CB-CG 3.88Å; E70-K72 PolarHBondContact O-N 3.43Å; E70-K72 IonicContact OE1-NZ 2.86Å; E70-K72 PolarHBondContact OE1-NZ 3.27Å; E70-K72 WeakPolarHBondContact OE2-CD 3.43Å; E70-K72 WeakPolarHBondContact OE2-CE 3.31Å; E70-K72 IonicContact OE2-NZ 3.04Å; E70-K72 PolarHBondContact OE2-NZ 3.26Å; K72-F74 HydrophobicContact CB-CD1 4.36Å; K72-F74 HydrophobicContact CB-CD2 4.37Å; K72-F74 HydrophobicContact CB-CE1 3.98Å; K72-F74 HydrophobicContact CB-CE2 3.94Å; K72-F74 HydrophobicContact CB-CZ 3.76Å; K72-F74 HydrophobicContact CD-CE2 4.02Å; K72-F74 HydrophobicContact CD-CZ 3.77Å; K72-F74 HydrophobicContact CG-CZ 4.18Å; K72-F74 CarbonylContact O-C 3.51Å; K72-F74 PolarHBondContact O-N 3.47Å; K72-F74 VanDerWaalsContact O-O 3.07Å
73S75Confident81.1Confident93 Ų9348.9 Ų48.965%0.6523%0.232SC*.SBendtrans-68.427.9-176.250.70000115.4A43A43-S73 WeakPolarHBondContact CB-O 3.44Å; A43-S73 PolarHBondContact N-O 2.91Å
74F81.4Confident81.1Confident59 Ų5948.9 Ų48.926%0.25923%0.232SC..EExtended strand (participates in β ladder)trans-143.8142.617054.7-99.7000110.1R40 V41 K72R40-F74 HydrophobicContact CB-CB 4.25Å; R40-F74 HydrophobicContact CB-CD2 4.09Å; R40-F74 HydrophobicContact CB-CG 4.31Å; R40-F74 HydrophobicContact CG-CD2 4.07Å; R40-F74 HydrophobicContact CG-CE2 4.42Å; R40-F74 VanDerWaalsContact NH1-CE2 3.31Å; V41-F74 CarbonylContact O-C 3.58Å; V41-F74 WeakPolarHBondContact O-CA 3.41Å; V41-F74 WeakPolarHBondContact O-CB 3.14Å; K72-F74 HydrophobicContact CB-CD1 4.36Å; K72-F74 HydrophobicContact CB-CD2 4.37Å; K72-F74 HydrophobicContact CB-CE1 3.98Å; K72-F74 HydrophobicContact CB-CE2 3.94Å; K72-F74 HydrophobicContact CB-CZ 3.76Å; K72-F74 HydrophobicContact CD-CE2 4.02Å; K72-F74 HydrophobicContact CD-CZ 3.77Å; K72-F74 HydrophobicContact CG-CZ 4.18Å; K72-F74 CarbonylContact O-C 3.51Å; K72-F74 PolarHBondContact O-N 3.47Å; K72-F74 VanDerWaalsContact O-O 3.07Å
75L82.8Confident81Confident0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-91.2129.8169.1-59.1179.1000110.2R40 V41 A46 W64 A67 D68 Q79 F80 A83R40-L75 WeakPolarHBondContact CA-O 3.23Å; V41-L75 PolarHBondContact N-O 3.36Å; V41-L75 PolarHBondContact O-N 2.84Å; A46-L75 HydrophobicContact CB-CD1 4.23Å; W64-L75 HydrophobicContact CE3-CD1 4.07Å; W64-L75 HydrophobicContact CE3-CD2 4.43Å; W64-L75 HydrophobicContact CE3-CG 4.34Å; W64-L75 HydrophobicContact CH2-CD1 4.13Å; W64-L75 HydrophobicContact CH2-CD2 3.77Å; W64-L75 HydrophobicContact CH2-CG 3.54Å; W64-L75 HydrophobicContact CZ2-CD2 4.16Å; W64-L75 HydrophobicContact CZ2-CG 4.41Å; W64-L75 HydrophobicContact CZ3-CD1 3.53Å; W64-L75 HydrophobicContact CZ3-CD2 3.93Å; W64-L75 HydrophobicContact CZ3-CG 3.51Å; A67-L75 HydrophobicContact CB-CD1 4.43Å; A67-L75 HydrophobicContact CB-CD2 4.04Å; D68-L75 HydrophobicContact CB-CD2 3.92Å; L75-Q79 HydrophobicContact CB-CB 4.09Å; L75-Q79 HydrophobicContact CD2-CB 4.02Å; L75-F80 HydrophobicContact CB-CB 4.34Å; L75-F80 HydrophobicContact CD1-CD2 4.2Å; L75-A83 HydrophobicContact CD1-CB 4.32Å
76N84.6Confident81.1Confident37 Ų3741.5 Ų41.520%0.19820%0.195CC..EExtended strand (participates in β ladder)trans-72.1162.4165-57.1-52.9000110.2R40 E70 Q78 Q79 F80R40-N76 PolarHBondContact NH1-OD1 3.12Å; E70-N76 PolarHBondContact OE2-ND2 3.13Å; N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 2.84Å; N76-Q78 VanDerWaalsContact O-N 3.12Å; N76-Q79 VanDerWaalsContact CB-OE1 3.26Å; N76-Q79 VanDerWaalsContact CG-OE1 3.27Å; N76-Q79 PolarHBondContact ND2-OE1 2.97Å; N76-Q79 WeakPolarHBondContact O-CB 3.46Å; N76-Q79 PolarHBondContact O-N 3.2Å; N76-F80 PolarHBondContact O-N 2.87Å
77K84.1Confident81.2Confident65 Ų6539.1 Ų39.128%0.28318%0.183SC..Hα-helixtrans-50.2-42.6-176.4-168-178.5-174.9-1700114.3L16 D27 Y30 F80 F81L16-K77 HydrophobicContact CD1-CD 4.19Å; L16-K77 HydrophobicContact CD1-CG 4.01Å; L16-K77 HydrophobicContact CD2-CD 4.06Å; D27-K77 WeakPolarHBondContact OD1-CE 3.29Å; D27-K77 IonicContact OD1-NZ 2.67Å; D27-K77 PolarHBondContact OD1-NZ 3.24Å; D27-K77 IonicContact OD2-NZ 3.44Å; Y30-K77 HydrophobicContact CD1-CD 4.19Å; Y30-K77 HydrophobicContact CD1-CG 4.05Å; Y30-K77 HydrophobicContact CD2-CB 4.35Å; Y30-K77 HydrophobicContact CD2-CG 3.86Å; Y30-K77 HydrophobicContact CE1-CB 4.37Å; Y30-K77 HydrophobicContact CE1-CD 4.17Å; Y30-K77 HydrophobicContact CE1-CG 4.01Å; Y30-K77 HydrophobicContact CE2-CB 3.83Å; Y30-K77 HydrophobicContact CE2-CG 3.82Å; Y30-K77 HydrophobicContact CG-CG 3.99Å; K77-F80 PolarHBondContact O-N 2.8Å; K77-F81 HydrophobicContact CD-CE2 4.42Å; K77-F81 HydrophobicContact CG-CD2 4.18Å; K77-F81 HydrophobicContact CG-CE2 3.88Å; K77-F81 WeakPolarHBondContact O-CD2 3.23Å; K77-F81 PolarHBondContact O-N 3.48Å
78Q83.8Confident81.3Confident73 Ų7339.1 Ų39.134%0.34118%0.183SC..Hα-helixtrans-65-43177.5-169.2-179.75.600112.2A12 L14 L19 N76 F80 F81 I82A12-Q78 PolarHBondContact O-NE2 3.48Å; L14-Q78 PolarHBondContact O-NE2 3.41Å; L19-Q78 HydrophobicContact CD1-CG 3.77Å; N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 2.84Å; N76-Q78 VanDerWaalsContact O-N 3.12Å; Q78-F80 PolarHBondContact O-N 3.45Å; Q78-F81 PolarHBondContact O-N 3.34Å; Q78-I82 HydrophobicContact CG-CD1 4.39Å; Q78-I82 WeakPolarHBondContact O-CG1 3.45Å; Q78-I82 PolarHBondContact O-N 2.68Å
79Q85.3Confident81.4Confident18 Ų1838.4 Ų38.48%0.08418%0.179CC..Hα-helixtrans-66.1-37.2177.4-63170-8200112A67 L75 N76 F81 I82 A83A67-Q79 WeakPolarHBondContact O-CB 3.49Å; A67-Q79 WeakPolarHBondContact O-CG 3.26Å; A67-Q79 PolarHBondContact O-NE2 3.45Å; L75-Q79 HydrophobicContact CB-CB 4.09Å; L75-Q79 HydrophobicContact CD2-CB 4.02Å; N76-Q79 VanDerWaalsContact CB-OE1 3.26Å; N76-Q79 VanDerWaalsContact CG-OE1 3.27Å; N76-Q79 PolarHBondContact ND2-OE1 2.97Å; N76-Q79 WeakPolarHBondContact O-CB 3.46Å; N76-Q79 PolarHBondContact O-N 3.2Å; Q79-F81 VanDerWaalsContact C-N 3.35Å; Q79-I82 WeakPolarHBondContact O-CB 3.34Å; Q79-I82 PolarHBondContact O-N 2.72Å; Q79-A83 PolarHBondContact O-N 2.92Å
80F86.8Confident82Confident0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-65.5-37.4172.9-170.1-97000111.9Y30 V33 V41 A46 F49 L75 N76 K77 Q78 A83 L84Y30-F80 HydrophobicContact CD2-CB 4.02Å; Y30-F80 AromaticContact CD2-CD1 3.63Å; Y30-F80 HydrophobicContact CD2-CD1 3.63Å; Y30-F80 HydrophobicContact CD2-CE1 4.32Å; Y30-F80 AromaticContact CD2-CG 3.96Å; Y30-F80 HydrophobicContact CD2-CG 3.96Å; Y30-F80 HydrophobicContact CE2-CB 4.3Å; Y30-F80 HydrophobicContact CG-CD1 4.37Å; V33-F80 HydrophobicContact CB-CE2 4.41Å; V33-F80 HydrophobicContact CB-CZ 4.27Å; V33-F80 HydrophobicContact CG2-CE1 4.41Å; V33-F80 HydrophobicContact CG2-CE2 3.99Å; V33-F80 HydrophobicContact CG2-CZ 3.51Å; V41-F80 HydrophobicContact CG2-CD2 4.26Å; A46-F80 HydrophobicContact CB-CE2 4.39Å; F49-F80 AromaticContact CD1-CZ 3.86Å; F49-F80 HydrophobicContact CD1-CZ 3.86Å; F49-F80 HydrophobicContact CE1-CZ 4.28Å; L75-F80 HydrophobicContact CB-CB 4.34Å; L75-F80 HydrophobicContact CD1-CD2 4.2Å; N76-F80 PolarHBondContact O-N 2.87Å; K77-F80 PolarHBondContact O-N 2.8Å; Q78-F80 PolarHBondContact O-N 3.45Å; F80-A83 PolarHBondContact O-N 3.34Å; F80-L84 HydrophobicContact CD1-CD1 3.76Å; F80-L84 HydrophobicContact CD1-CG 4.05Å; F80-L84 HydrophobicContact CE1-CD1 3.51Å; F80-L84 HydrophobicContact CE1-CD2 4.21Å; F80-L84 HydrophobicContact CE1-CG 3.83Å; F80-L84 HydrophobicContact CZ-CD1 4.43Å; F80-L84 HydrophobicContact CZ-CD2 4.37Å; F80-L84 HydrophobicContact CZ-CG 4.37Å; F80-L84 WeakPolarHBondContact O-CG 3.45Å; F80-L84 PolarHBondContact O-N 2.87Å
81F85.9Confident82.8Confident0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-68.7-34.5173.8-82.8-133.6000112.1L16 L19 Y26 Y30 K77 Q78 Q79 L84 R85L16-F81 HydrophobicContact CD1-CB 4.16Å; L16-F81 HydrophobicContact CD1-CD1 3.37Å; L16-F81 HydrophobicContact CD1-CD2 3.8Å; L16-F81 HydrophobicContact CD1-CE1 3.52Å; L16-F81 HydrophobicContact CD1-CE2 3.94Å; L16-F81 HydrophobicContact CD1-CG 3.52Å; L16-F81 HydrophobicContact CD1-CZ 3.81Å; L16-F81 HydrophobicContact CD2-CE1 3.98Å; L16-F81 HydrophobicContact CD2-CZ 4.08Å; L16-F81 HydrophobicContact CG-CD1 3.68Å; L16-F81 HydrophobicContact CG-CE1 3.48Å; L16-F81 VanDerWaalsContact CG-CE1 3.48Å; L16-F81 HydrophobicContact CG-CG 4.34Å; L16-F81 HydrophobicContact CG-CZ 4Å; L19-F81 HydrophobicContact CB-CB 3.97Å; L19-F81 HydrophobicContact CB-CD1 4.45Å; L19-F81 HydrophobicContact CD1-CB 4.11Å; Y26-F81 VanDerWaalsContact CB-CE1 3.42Å; Y26-F81 HydrophobicContact CD1-CB 4.35Å; Y26-F81 AromaticContact CD1-CD1 3.85Å; Y26-F81 HydrophobicContact CD1-CD1 3.85Å; Y26-F81 HydrophobicContact CD1-CE1 4.35Å; Y26-F81 HydrophobicContact CD1-CG 4.02Å; Y26-F81 HydrophobicContact CG-CD1 4.2Å; Y26-F81 HydrophobicContact CG-CE1 4.26Å; Y30-F81 HydrophobicContact CD2-CE2 4.49Å; Y30-F81 HydrophobicContact CG-CE2 4.22Å; K77-F81 HydrophobicContact CD-CE2 4.42Å; K77-F81 HydrophobicContact CG-CD2 4.18Å; K77-F81 HydrophobicContact CG-CE2 3.88Å; K77-F81 WeakPolarHBondContact O-CD2 3.23Å; K77-F81 PolarHBondContact O-N 3.48Å; Q78-F81 PolarHBondContact O-N 3.34Å; Q79-F81 VanDerWaalsContact C-N 3.35Å; F81-L84 PolarHBondContact O-N 3.47Å; F81-R85 PolarHBondContact O-N 2.9Å
82I86.2Confident83.2Confident4 Ų427.7 Ų27.72%0.02114%0.143CC..Hα-helixtrans-61.1-49.3169.4-70.3157.7000110.2A11 L19 Q78 Q79 L84 R85 L86 L98 L101A11-I82 HydrophobicContact CB-CD1 4.09Å; L19-I82 HydrophobicContact CD1-CD1 4.44Å; L19-I82 HydrophobicContact CD1-CG1 3.84Å; L19-I82 HydrophobicContact CD2-CG1 3.71Å; L19-I82 HydrophobicContact CG-CG1 4.44Å; Q78-I82 HydrophobicContact CG-CD1 4.39Å; Q78-I82 WeakPolarHBondContact O-CG1 3.45Å; Q78-I82 PolarHBondContact O-N 2.68Å; Q79-I82 WeakPolarHBondContact O-CB 3.34Å; Q79-I82 PolarHBondContact O-N 2.72Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 2.88Å; I82-R85 PolarHBondContact O-N 3.37Å; I82-L86 HydrophobicContact CG2-CD1 4.01Å; I82-L86 HydrophobicContact CG2-CG 4.38Å; I82-L86 WeakPolarHBondContact O-CG 3.26Å; I82-L86 PolarHBondContact O-N 3.12Å; I82-L98 HydrophobicContact CG2-CD2 4.21Å; I82-L101 HydrophobicContact CG1-CD1 4.5Å; I82-L101 HydrophobicContact CG2-CD1 4.16Å; I82-L101 HydrophobicContact CG2-CD2 4.4Å
83A88.1Confident83.8Confident0 Ų027.4 Ų27.40%016%0.163CC..Hα-helixtrans-57.2-44.8175.700000111.9L50 I63 A67 L75 Q79 F80 R85 L86 V87L50-A83 HydrophobicContact CD1-CB 4.38Å; L50-A83 HydrophobicContact CD2-CB 4.28Å; I63-A83 HydrophobicContact CG2-CB 4.02Å; A67-A83 HydrophobicContact CB-CB 3.89Å; L75-A83 HydrophobicContact CD1-CB 4.32Å; Q79-A83 PolarHBondContact O-N 2.92Å; F80-A83 PolarHBondContact O-N 3.34Å; A83-R85 VanDerWaalsContact C-N 3.33Å; A83-R85 PolarHBondContact O-N 3.14Å; A83-L86 PolarHBondContact O-N 2.78Å; A83-V87 WeakPolarHBondContact O-CG2 3.13Å; A83-V87 PolarHBondContact O-N 3.09Å
84L87.4Confident83.8Confident0 Ų026.1 Ų26.10%015%0.149CC..Hα-helixtrans-66.7-25.9175.5-71.1179.7000114.1Y26 Y29 F49 F80 F81 I82 A88 F110Y26-L84 HydrophobicContact CD1-CB 3.65Å; Y26-L84 HydrophobicContact CD1-CD1 3.63Å; Y26-L84 HydrophobicContact CD1-CG 4.33Å; Y26-L84 HydrophobicContact CE1-CB 3.23Å; Y26-L84 HydrophobicContact CE1-CD1 4.1Å; Y26-L84 HydrophobicContact CE1-CG 4.34Å; Y26-L84 HydrophobicContact CG-CD1 4.22Å; Y26-L84 PolarHBondContact OH-O 2.85Å; Y29-L84 HydrophobicContact CD2-CD1 4.24Å; Y29-L84 HydrophobicContact CD2-CD2 4.27Å; F49-L84 HydrophobicContact CE1-CD2 4.2Å; F80-L84 HydrophobicContact CD1-CD1 3.76Å; F80-L84 HydrophobicContact CD1-CG 4.05Å; F80-L84 HydrophobicContact CE1-CD1 3.51Å; F80-L84 HydrophobicContact CE1-CD2 4.21Å; F80-L84 HydrophobicContact CE1-CG 3.83Å; F80-L84 HydrophobicContact CZ-CD1 4.43Å; F80-L84 HydrophobicContact CZ-CD2 4.37Å; F80-L84 HydrophobicContact CZ-CG 4.37Å; F80-L84 WeakPolarHBondContact O-CG 3.45Å; F80-L84 PolarHBondContact O-N 2.87Å; F81-L84 PolarHBondContact O-N 3.47Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 2.88Å; L84-A88 PolarHBondContact O-N 2.94Å; L84-F110 HydrophobicContact CD2-CE2 3.53Å; L84-F110 HydrophobicContact CD2-CZ 3.55Å
85R84.2Confident83.7Confident5 Ų528.7 Ų28.72%0.01916%0.162CC..Hα-helixtrans-75.8-42.6169.3-84.5-79.889.9-174.4-3.2111L19 Y26 F81 I82 A83 V87 A88 C89 L101 V105 P106L19-R85 HydrophobicContact CB-CG 4.48Å; L19-R85 HydrophobicContact CD2-CG 4.45Å; L19-R85 WeakPolarHBondContact O-CD 3.44Å; L19-R85 WeakPolarHBondContact O-CG 3.41Å; L19-R85 PolarHBondContact O-NE 2.96Å; Y26-R85 HydrophobicContact CE1-CG 4.18Å; Y26-R85 PolarHBondContact OH-NE 2.77Å; Y26-R85 PolarHBondContact OH-NH2 3.18Å; F81-R85 PolarHBondContact O-N 2.9Å; I82-R85 PolarHBondContact O-N 3.37Å; A83-R85 VanDerWaalsContact C-N 3.33Å; A83-R85 PolarHBondContact O-N 3.14Å; R85-V87 VanDerWaalsContact C-N 3.35Å; R85-V87 PolarHBondContact O-N 3.35Å; R85-A88 CarbonylContact O-C 3.27Å; R85-A88 WeakPolarHBondContact O-CA 3.48Å; R85-A88 WeakPolarHBondContact O-CB 3.47Å; R85-A88 PolarHBondContact O-N 3.4Å; R85-C89 PolarHBondContact O-N 3.43Å; R85-C89 PolarHBondContact O-SG 2.99Å; R85-C89 VanDerWaalsContact O-SG 3.33Å; R85-L101 HydrophobicContact CB-CD2 3.53Å; R85-L101 HydrophobicContact CG-CD2 4.45Å; R85-V105 VanDerWaalsContact NH1-CG2 3.3Å; R85-V105 PolarHBondContact NH1-O 3.48Å; R85-V105 PolarHBondContact NH2-O 3.35Å; R85-P106 PolarHBondContact NH2-O 2.99Å; R85-P106 VanDerWaalsContact NH2-O 3.08Å
86L85.1Confident83.6Confident0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-64.5-36.8176.8-67.1175.2000112.3I63 L66 I82 A83 C89 A90 V96 L101I63-L86 HydrophobicContact CG1-CB 4.06Å; I63-L86 HydrophobicContact CG2-CB 4.05Å; L66-L86 HydrophobicContact CB-CD1 3.7Å; L66-L86 HydrophobicContact CD1-CD1 4.34Å; I82-L86 HydrophobicContact CG2-CD1 4.01Å; I82-L86 HydrophobicContact CG2-CG 4.38Å; I82-L86 WeakPolarHBondContact O-CG 3.26Å; I82-L86 PolarHBondContact O-N 3.12Å; A83-L86 PolarHBondContact O-N 2.78Å; L86-C89 PolarHBondContact O-N 3.38Å; L86-A90 WeakPolarHBondContact O-CB 3.5Å; L86-A90 PolarHBondContact O-N 3.13Å; L86-V96 HydrophobicContact CB-CG1 4.32Å; L86-V96 HydrophobicContact CD2-CG1 4.42Å; L86-L101 HydrophobicContact CD2-CD2 3.85Å; L86-L101 HydrophobicContact CD2-CG 4.35Å; L86-L101 HydrophobicContact CG-CD2 3.99Å
87V86.9Confident83.3Confident0 Ų029.2 Ų29.20%017%0.167CC..Hα-helixtrans-58.7-46.3167.5168.20000110.8L50 L55 I63 A83 R85 C89 A90 Q91 P108 F110L50-V87 HydrophobicContact CD2-CG2 3.63Å; L55-V87 HydrophobicContact CD1-CB 4.29Å; L55-V87 HydrophobicContact CD1-CG1 4.01Å; L55-V87 HydrophobicContact CD1-CG2 4.21Å; I63-V87 HydrophobicContact CD1-CG2 3.82Å; I63-V87 HydrophobicContact CG2-CG2 4.34Å; A83-V87 WeakPolarHBondContact O-CG2 3.13Å; A83-V87 PolarHBondContact O-N 3.09Å; R85-V87 VanDerWaalsContact C-N 3.35Å; R85-V87 PolarHBondContact O-N 3.35Å; V87-C89 VanDerWaalsContact C-N 3.33Å; V87-C89 PolarHBondContact O-N 3.32Å; V87-A90 PolarHBondContact O-N 3.04Å; V87-Q91 HydrophobicContact CG1-CG 4.25Å; V87-Q91 WeakPolarHBondContact O-CB 3.41Å; V87-Q91 WeakPolarHBondContact O-CG 3.41Å; V87-Q91 PolarHBondContact O-N 3.45Å; V87-P108 HydrophobicContact CB-CB 4.47Å; V87-P108 HydrophobicContact CG1-CB 3.83Å; V87-F110 HydrophobicContact CG1-CE2 4.32Å; V87-F110 HydrophobicContact CG1-CZ 4.01Å
88A84.3Confident82.9Confident0 Ų027.4 Ų27.40%016%0.161CC..Hα-helixtrans-63.3-39178.400000112L84 R85 N92 V105 P106 P108L84-A88 PolarHBondContact O-N 2.94Å; R85-A88 CarbonylContact O-C 3.27Å; R85-A88 WeakPolarHBondContact O-CA 3.48Å; R85-A88 WeakPolarHBondContact O-CB 3.47Å; R85-A88 PolarHBondContact O-N 3.4Å; A88-N92 PolarHBondContact O-N 2.94Å; A88-N92 PolarHBondContact O-ND2 3Å; A88-V105 HydrophobicContact CB-CG2 3.58Å; A88-P106 WeakPolarHBondContact CB-O 3.24Å; A88-P108 HydrophobicContact CB-CB 4.01Å; A88-P108 HydrophobicContact CB-CG 4.42Å
89C83.6Confident82.3Confident0 Ų030.4 Ų30.40%017%0.173CC..Hα-helixtrans-60.7-51.4172.8-65.50000111.3R85 L86 V87 Q91 N92 G93 L94R85-C89 PolarHBondContact O-N 3.43Å; R85-C89 PolarHBondContact O-SG 2.99Å; R85-C89 VanDerWaalsContact O-SG 3.33Å; L86-C89 PolarHBondContact O-N 3.38Å; V87-C89 VanDerWaalsContact C-N 3.33Å; V87-C89 PolarHBondContact O-N 3.32Å; C89-Q91 PolarHBondContact O-N 3.18Å; C89-N92 CarbonylContact O-C 3.59Å; C89-N92 PolarHBondContact O-N 3.19Å; C89-G93 PolarHBondContact O-N 3.4Å; C89-L94 HydrophobicContact CB-CB 4.07Å; C89-L94 PolarHBondContact O-N 2.96Å
90A84.9Confident81.6Confident20 Ų2030.2 Ų30.217%0.16517%0.173CC..Hα-helixtrans-59.4-42.6178.800000112.8L55 V59 I63 L86 V87 N92 G93 V96L55-A90 HydrophobicContact CD1-CB 3.61Å; L55-A90 HydrophobicContact CD2-CB 3.88Å; L55-A90 HydrophobicContact CG-CB 4.42Å; V59-A90 HydrophobicContact CG1-CB 4.2Å; I63-A90 HydrophobicContact CD1-CB 4.42Å; L86-A90 WeakPolarHBondContact O-CB 3.5Å; L86-A90 PolarHBondContact O-N 3.13Å; V87-A90 PolarHBondContact O-N 3.04Å; A90-N92 PolarHBondContact O-N 2.94Å; A90-G93 PolarHBondContact O-N 3Å; A90-G93 VanDerWaalsContact O-N 3.1Å; A90-V96 HydrophobicContact CB-CG2 3.79Å
91Q83.6Confident80.8Confident52 Ų5230.8 Ų30.824%0.24318%0.176CC..THydrogen-bonded Turntrans-68.1-10.9176.4-74.8-175.2-26.100114.3S53 L55 V87 C89 P108 K109S53-Q91 PolarHBondContact O-NE2 2.91Å; L55-Q91 HydrophobicContact CD1-CG 4.35Å; L55-Q91 HydrophobicContact CD2-CG 4.05Å; L55-Q91 HydrophobicContact CG-CG 4.23Å; V87-Q91 HydrophobicContact CG1-CG 4.25Å; V87-Q91 WeakPolarHBondContact O-CB 3.41Å; V87-Q91 WeakPolarHBondContact O-CG 3.41Å; V87-Q91 PolarHBondContact O-N 3.45Å; C89-Q91 PolarHBondContact O-N 3.18Å; Q91-P108 VanDerWaalsContact OE1-CA 3.3Å; Q91-K109 PolarHBondContact NE2-O 3.32Å
92N79Confident80Confident75 Ų7536.2 Ų36.240%0.40121%0.205SC..THydrogen-bonded Turntrans-113.620.8173.3-68-94.9000111.5A88 C89 A90 L94 V105A88-N92 PolarHBondContact O-N 2.94Å; A88-N92 PolarHBondContact O-ND2 3Å; C89-N92 CarbonylContact O-C 3.59Å; C89-N92 PolarHBondContact O-N 3.19Å; A90-N92 PolarHBondContact O-N 2.94Å; N92-L94 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 3.42Å; N92-V105 HydrophobicContact CB-CG1 4.41Å
93G76.1Confident79.2Confident74 Ų7439.5 Ų39.576%0.76323%0.226SC*.THydrogen-bonded Turntrans72.78.2175.500000115.7C89 A90C89-G93 PolarHBondContact O-N 3.4Å; A90-G93 PolarHBondContact O-N 3Å; A90-G93 VanDerWaalsContact O-N 3.1Å
94L76.6Confident78Confident66 Ų6644.3 Ų44.335%0.34627%0.265SS..  trans-86.6145.6-179.3-59.3-175.3000112.2C89 N92 V96 V103 V105C89-L94 HydrophobicContact CB-CB 4.07Å; C89-L94 PolarHBondContact O-N 2.96Å; N92-L94 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 3.42Å; L94-V96 PolarHBondContact O-N 2.69Å; L94-V103 HydrophobicContact CD1-CB 4.21Å; L94-V103 HydrophobicContact CD1-CG1 3.81Å; L94-V105 HydrophobicContact CD1-CG1 3.49Å; L94-V105 VanDerWaalsContact CD1-CG1 3.49Å
95E79.1Confident77.3Confident114 Ų11444.8 Ų44.853%0.53327%0.268SS..  trans-53128.2177.4-170.9-165141.100111.9A97 K99 S100E95-A97 VanDerWaalsContact C-N 3.31Å; E95-A97 HydrophobicContact CG-CB 4.28Å; E95-A97 PolarHBondContact O-N 3Å; E95-A97 WeakPolarHBondContact OE1-CB 3.46Å; E95-K99 WeakPolarHBondContact OE1-CE 3.38Å; E95-K99 IonicContact OE1-NZ 2.64Å; E95-K99 PolarHBondContact OE1-NZ 2.93Å; E95-K99 WeakPolarHBondContact OE2-CE 3.36Å; E95-K99 IonicContact OE2-NZ 2.65Å; E95-K99 PolarHBondContact OE2-NZ 3.24Å; E95-S100 WeakPolarHBondContact O-CB 3.37Å; E95-S100 PolarHBondContact O-OG 3.36Å
96V79.9Confident76.7Confident33 Ų3347.8 Ų47.820%0.229%0.288CS..  trans-75.982.4178.7-173.70000109.9V59 I63 L66 L86 A90 L94V59-V96 HydrophobicContact CG1-CG2 4.04Å; I63-V96 HydrophobicContact CG1-CG1 3.52Å; L66-V96 HydrophobicContact CD1-CG1 4.14Å; L66-V96 VanDerWaalsContact CD1-O 3.23Å; L66-V96 WeakPolarHBondContact CD1-O 3.33Å; L86-V96 HydrophobicContact CB-CG1 4.32Å; L86-V96 HydrophobicContact CD2-CG1 4.42Å; A90-V96 HydrophobicContact CB-CG2 3.79Å; L94-V96 PolarHBondContact O-N 2.69Å
97A78.8Confident76.1Confident14 Ų1450.5 Ų50.512%0.11631%0.306CS..SBendtrans-146152.5-178.900000111.4E95 K99 S100E95-A97 VanDerWaalsContact C-N 3.31Å; E95-A97 HydrophobicContact CG-CB 4.28Å; E95-A97 PolarHBondContact O-N 3Å; E95-A97 WeakPolarHBondContact OE1-CB 3.46Å; A97-K99 HydrophobicContact CB-CD 4.24Å; A97-K99 HydrophobicContact CB-CG 3.8Å; A97-K99 PolarHBondContact O-N 3.01Å; A97-S100 VanDerWaalsContact O-CB 3.28Å; A97-S100 WeakPolarHBondContact O-CB 3.46Å; A97-S100 PolarHBondContact O-N 3.3Å; A97-S100 PolarHBondContact O-OG 3.09Å
98L75.2Confident75.6Confident28 Ų2850.6 Ų50.615%0.14731%0.306CS..G310 helixtrans-62.5-25.3-178.4-63.8174.3000113.4A11 L66 I69 I82 S100 L101A11-L98 HydrophobicContact CB-CD1 4.24Å; A11-L98 HydrophobicContact CB-CD2 4.08Å; L66-L98 HydrophobicContact CB-CD2 4.32Å; L66-L98 HydrophobicContact CD2-CD1 4.48Å; L66-L98 HydrophobicContact CD2-CG 4.28Å; I69-L98 HydrophobicContact CD1-CD1 4.28Å; I82-L98 HydrophobicContact CG2-CD2 4.21Å; L98-S100 PolarHBondContact O-N 3.1Å; L98-L101 HydrophobicContact CB-CD1 4.42Å; L98-L101 HydrophobicContact CD2-CD1 3.79Å; L98-L101 WeakPolarHBondContact O-CB 3.49Å; L98-L101 WeakPolarHBondContact O-CG 3.47Å; L98-L101 PolarHBondContact O-N 3.49Å
99K71.1Confident75Confident135 Ų13558.8 Ų58.859%0.58734%0.342SS*.G310 helixtrans-60.2-32.3171.863.6-172.7-179.3-177.10112.7E95 A97 L101E95-K99 WeakPolarHBondContact OE1-CE 3.38Å; E95-K99 IonicContact OE1-NZ 2.64Å; E95-K99 PolarHBondContact OE1-NZ 2.93Å; E95-K99 WeakPolarHBondContact OE2-CE 3.36Å; E95-K99 IonicContact OE2-NZ 2.65Å; E95-K99 PolarHBondContact OE2-NZ 3.24Å; A97-K99 HydrophobicContact CB-CD 4.24Å; A97-K99 HydrophobicContact CB-CG 3.8Å; A97-K99 PolarHBondContact O-N 3.01Å; K99-L101 VanDerWaalsContact C-N 3.29Å; K99-L101 PolarHBondContact O-N 3.33Å
100S71.7Confident74.6Confident14 Ų1459.4 Ų59.410%0.09835%0.345CS..G310 helixtrans-76.3-12.3-175.9-44.20000113.4E95 A97 L98 N102 V103E95-S100 WeakPolarHBondContact O-CB 3.37Å; E95-S100 PolarHBondContact O-OG 3.36Å; A97-S100 VanDerWaalsContact O-CB 3.28Å; A97-S100 WeakPolarHBondContact O-CB 3.46Å; A97-S100 PolarHBondContact O-N 3.3Å; A97-S100 PolarHBondContact O-OG 3.09Å; L98-S100 PolarHBondContact O-N 3.1Å; S100-N102 PolarHBondContact O-N 2.91Å; S100-N102 VanDerWaalsContact O-N 3.16Å; S100-V103 WeakPolarHBondContact O-CB 3.32Å; S100-V103 PolarHBondContact O-N 3.07Å; S100-V103 VanDerWaalsContact O-N 3.09Å
101L70Confident73.1Confident12 Ų1264 Ų646%0.06336%0.363CS..G310 helixtrans-63.4-20-177.1-68175.7000114.4L14 I82 R85 L86 L98 K99 V103L14-L101 HydrophobicContact CD1-CB 3.8Å; L14-L101 HydrophobicContact CD1-CD1 4.04Å; I82-L101 HydrophobicContact CG1-CD1 4.5Å; I82-L101 HydrophobicContact CG2-CD1 4.16Å; I82-L101 HydrophobicContact CG2-CD2 4.4Å; R85-L101 HydrophobicContact CB-CD2 3.53Å; R85-L101 HydrophobicContact CG-CD2 4.45Å; L86-L101 HydrophobicContact CD2-CD2 3.85Å; L86-L101 HydrophobicContact CD2-CG 4.35Å; L86-L101 HydrophobicContact CG-CD2 3.99Å; L98-L101 HydrophobicContact CB-CD1 4.42Å; L98-L101 HydrophobicContact CD2-CD1 3.79Å; L98-L101 WeakPolarHBondContact O-CB 3.49Å; L98-L101 WeakPolarHBondContact O-CG 3.47Å; L98-L101 PolarHBondContact O-N 3.49Å; K99-L101 VanDerWaalsContact C-N 3.29Å; K99-L101 PolarHBondContact O-N 3.33Å; L101-V103 VanDerWaalsContact C-N 3.34Å
102N67.8Low71Confident114 Ų11467.4 Ų67.461%0.6138%0.382SS*.G310 helixtrans-83.5-7.8177.7-64.4-43.2000113.4S100S100-N102 PolarHBondContact O-N 2.91Å; S100-N102 VanDerWaalsContact O-N 3.16Å
103V69.8Low69.2Low74 Ų7466.7 Ų66.745%0.44838%0.381SS..SBendtrans-81.8133.2-179.8-174.70000110.2L94 S100 L101 V105L94-V103 HydrophobicContact CD1-CB 4.21Å; L94-V103 HydrophobicContact CD1-CG1 3.81Å; S100-V103 WeakPolarHBondContact O-CB 3.32Å; S100-V103 PolarHBondContact O-N 3.07Å; S100-V103 VanDerWaalsContact O-N 3.09Å; L101-V103 VanDerWaalsContact C-N 3.34Å; V103-V105 HydrophobicContact CG1-CG1 4.17Å; V103-V105 PolarHBondContact O-N 2.88Å
104A63.5Low67.2Low100 Ų10067.9 Ų67.983%0.82638%0.377SS*.  trans-76.464.4-177.300000112.8
105V72.5Confident65Low11 Ų1170.3 Ų70.37%0.06740%0.4CS..PPolyproline II helixtrans-76.1147.5177-64.80000112.7R85 A88 N92 L94 V103R85-V105 VanDerWaalsContact NH1-CG2 3.3Å; R85-V105 PolarHBondContact NH1-O 3.48Å; R85-V105 PolarHBondContact NH2-O 3.35Å; A88-V105 HydrophobicContact CB-CG2 3.58Å; N92-V105 HydrophobicContact CB-CG1 4.41Å; L94-V105 HydrophobicContact CD1-CG1 3.49Å; L94-V105 VanDerWaalsContact CD1-CG1 3.49Å; V103-V105 HydrophobicContact CG1-CG1 4.17Å; V103-V105 PolarHBondContact O-N 2.88Å
106P71.8Confident63.3Low67 Ų6770.4 Ų70.444%0.43541%0.411SS..PPolyproline II helixtrans-48.8160.8172.3-3036.2000114.4R85 A88R85-P106 PolarHBondContact NH2-O 2.99Å; R85-P106 VanDerWaalsContact NH2-O 3.08Å; A88-P106 WeakPolarHBondContact CB-O 3.24Å
107P72.6Confident60.8Low58 Ų5877.5 Ų77.538%0.37744%0.442SS..PPolyproline II helixtrans-61.5142.5172.825.7-34000111.3I25 K109I25-P107 HydrophobicContact CG2-CB 3.89Å; P107-K109 PolarHBondContact O-N 2.9Å
108P75.3Confident58.6Low2 Ų284.7 Ų84.71%0.01348%0.477CS..PPolyproline II helixtrans-68.6134.3-175.928-34.4000110.5Y26 Y29 V87 A88 Q91 F110Y26-P108 HydrophobicContact CE2-CG 4.44Å; Y26-P108 VanDerWaalsContact OH-CD 3.22Å; Y26-P108 WeakPolarHBondContact OH-CD 3.46Å; Y29-P108 HydrophobicContact CE2-CG 4.21Å; Y29-P108 PolarHBondContact OH-O 3.41Å; V87-P108 HydrophobicContact CB-CB 4.47Å; V87-P108 HydrophobicContact CG1-CB 3.83Å; A88-P108 HydrophobicContact CB-CB 4.01Å; A88-P108 HydrophobicContact CB-CG 4.42Å; Q91-P108 VanDerWaalsContact OE1-CA 3.3Å; P108-F110 HydrophobicContact CB-CD2 4.23Å; P108-F110 HydrophobicContact CB-CE2 3.71Å; P108-F110 HydrophobicContact CG-CD2 4.35Å; P108-F110 HydrophobicContact CG-CE2 3.8Å; P108-F110 PolarHBondContact O-N 2.93Å
109K72.2Confident56.2Low171 Ų17188.4 Ų88.474%0.74351%0.512SS*.  trans-83.9106.9-179.4-63.7174.6-176.3170.80108.9Q91 P107Q91-K109 PolarHBondContact NE2-O 3.32Å; P107-K109 PolarHBondContact O-N 2.9Å
110F74.4Confident54.1Low14 Ų1493.7 Ų93.76%0.06153%0.528CS..  trans-104.8133.7164.6-68.4-93.2000108.1Y29 F49 Q52 L84 V87 P108 D112Y29-F110 AromaticContact CD2-CD2 4Å; Y29-F110 HydrophobicContact CD2-CD2 4Å; Y29-F110 HydrophobicContact CD2-CE2 4.15Å; Y29-F110 HydrophobicContact CE1-CB 4.16Å; Y29-F110 HydrophobicContact CE1-CD2 4.19Å; Y29-F110 HydrophobicContact CE1-CG 4.44Å; Y29-F110 AromaticContact CE2-CD2 3.47Å; Y29-F110 HydrophobicContact CE2-CD2 3.47Å; Y29-F110 VanDerWaalsContact CE2-CD2 3.47Å; Y29-F110 AromaticContact CE2-CE2 3.96Å; Y29-F110 HydrophobicContact CE2-CE2 3.96Å; Y29-F110 HydrophobicContact CE2-CG 4.45Å; Y29-F110 AromaticContact CZ-CD2 3.57Å; F49-F110 HydrophobicContact CD1-CD1 4.27Å; F49-F110 AromaticContact CD1-CE1 3.85Å; F49-F110 HydrophobicContact CD1-CE1 3.85Å; F49-F110 HydrophobicContact CD1-CZ 4.22Å; F49-F110 AromaticContact CE1-CD1 3.7Å; F49-F110 HydrophobicContact CE1-CD1 3.7Å; F49-F110 HydrophobicContact CE1-CD2 4.21Å; F49-F110 AromaticContact CE1-CE1 3.52Å; F49-F110 HydrophobicContact CE1-CE1 3.52Å; F49-F110 HydrophobicContact CE1-CE2 4.04Å; F49-F110 HydrophobicContact CE1-CG 4.05Å; F49-F110 AromaticContact CE1-CZ 3.71Å; F49-F110 HydrophobicContact CE1-CZ 3.71Å; F49-F110 AromaticContact CZ-CD1 3.92Å; F49-F110 HydrophobicContact CZ-CD1 3.92Å; F49-F110 HydrophobicContact CZ-CD2 4.39Å; F49-F110 HydrophobicContact CZ-CE1 4.23Å; F49-F110 HydrophobicContact CZ-CG 4.01Å; F49-F110 WeakPolarHBondContact O-CE1 3.4Å; Q52-F110 HydrophobicContact CB-CD1 3.92Å; L84-F110 HydrophobicContact CD2-CE2 3.53Å; L84-F110 HydrophobicContact CD2-CZ 3.55Å; V87-F110 HydrophobicContact CG1-CE2 4.32Å; V87-F110 HydrophobicContact CG1-CZ 4.01Å; P108-F110 HydrophobicContact CB-CD2 4.23Å; P108-F110 HydrophobicContact CB-CE2 3.71Å; P108-F110 HydrophobicContact CG-CD2 4.35Å; P108-F110 HydrophobicContact CG-CE2 3.8Å; P108-F110 PolarHBondContact O-N 2.93Å; F110-D112 PolarHBondContact O-N 3.24Å
111H55.1Low51.9Low117 Ų11796.3 Ų96.354%0.54256%0.557SS.*  trans-67131.3176.344-108.3000110.2Q52 T113Q52-H111 PolarHBondContact O-CE1 3.44Å; Q52-H111 VanDerWaalsContact O-CE1 3.22Å; Q52-H111 PolarHBondContact O-ND1 2.92Å; H111-T113 PolarHBondContact O-N 3.2Å
112D39.1Very low49.9Very low123 Ų123102.8 Ų102.866%0.65860%0.597SS**  trans-63.295.6-163.3-94.8-61.7000113.9K28 F110 S114K28-D112 IonicContact NZ-OD1 2.6Å; K28-D112 PolarHBondContact NZ-OD1 2.91Å; F110-D112 PolarHBondContact O-N 3.24Å; D112-S114 PolarHBondContact O-N 3.36Å
113T40.5Very low48.3Very low60 Ų60102 Ų10237%0.36861%0.607SS.*  trans-78.168169.739.40000111.6Q32 Q52 H111Q32-T113 PolarHBondContact NE2-O 2.89Å; Q32-T113 PolarHBondContact NE2-OG1 2.85Å; Q52-T113 PolarHBondContact OE1-OG1 3.27Å; H111-T113 PolarHBondContact O-N 3.2Å
114S33.3Very low46.4Very low98 Ų98102.4 Ų102.469%0.68562%0.618SS**PPolyproline II helixtrans-84.8137.3168.6-68.20000111.7D112D112-S114 PolarHBondContact O-N 3.36Å
115S30.8Very low45Very low118 Ų118104.4 Ų104.483%0.82561%0.614SS**PPolyproline II helixtrans-62.7161.8-165.9-67.90000116.8
116P45Very low43.5Very low116 Ų116106.7 Ų106.775%0.75363%0.634SS**PPolyproline II helixtrans-93169.2-159.236.9-38.5000116.7
117Q27.1Very low42.2Very low182 Ų182108.8 Ų108.885%0.8565%0.648SS**  trans91.7137.9164.9-57.2-167-17.500119.4
118L32.2Very low41.7Very low165 Ų165108.3 Ų108.386%0.86464%0.638SS**  trans67.580.6161.5-69.5170.4000120.2
119A25.5Very low41.1Very low106 Ų106111 Ų11188%0.87666%0.655SS**  trans-133.3137.5132.700000109.2
120R25.5Very low41.1Very low246 Ų246103 Ų10393%0.92862%0.62SS**  trans-135112.4-177.1-177.9178.7-178159.23.5111.2
121G27.1Very low41.1Very low69 Ų69107.9 Ų107.971%0.71164%0.641SS**  trans81.2143.8-170.400000111
122V27.2Very low41.8Very low148 Ų148106.2 Ų106.290%0.89764%0.641SS**  cis-101.6159.311.7179.20000111.6
123A33.8Very low43.4Very low98 Ų98105.8 Ų105.881%0.8164%0.635SS**  trans-125.4117.1170.500000110.8
124A30.5Very low45Very low82 Ų82105 Ų10568%0.67863%0.628SS**  trans-160.5147.4158.500000107.8A126A124-A126 PolarHBondContact O-N 2.95Å
125D34.4Very low47.1Very low142 Ų142102.5 Ų102.576%0.75960%0.604SS**  trans48.954.3158.8-49.5-25.9000117.9P127D125-P127 WeakPolarHBondContact O-CD 3.26Å
126A39.5Very low49.4Very low59 Ų59102.8 Ų102.849%0.48859%0.594SS.*PPolyproline II helixtrans-67.1124.4137.800000107.8A124 P214A124-A126 PolarHBondContact O-N 2.95Å; A126-P214 HydrophobicContact CB-CB 4.39Å
127P46.3Very low51.1Low110 Ų110104.1 Ų104.171%0.71459%0.588SS**PPolyproline II helixtrans-55.3146173.2-25.335.2000111D125D125-P127 WeakPolarHBondContact O-CD 3.26Å
128W61.8Low53.9Low48 Ų4896.7 Ų96.718%0.18255%0.553CS.*PPolyproline II helixtrans-66.3134.4170-175.650.4000108.5V130 K135 V193 L215W128-V130 VanDerWaalsContact C-N 3.31Å; W128-V130 HydrophobicContact CD2-CB 3.94Å; W128-V130 HydrophobicContact CD2-CG2 4.27Å; W128-V130 HydrophobicContact CE3-CB 3.8Å; W128-V130 HydrophobicContact CH2-CB 3.76Å; W128-V130 HydrophobicContact CH2-CG1 4.01Å; W128-V130 HydrophobicContact CH2-CG2 4.04Å; W128-V130 HydrophobicContact CZ2-CB 3.88Å; W128-V130 HydrophobicContact CZ2-CG2 3.69Å; W128-V130 HydrophobicContact CZ3-CB 3.69Å; W128-V130 HydrophobicContact CZ3-CG1 3.99Å; W128-V130 HydrophobicContact CZ3-CG2 4.43Å; W128-V130 PolarHBondContact O-N 3.5Å; W128-K135 HydrophobicContact CH2-CD 4Å; W128-K135 HydrophobicContact CH2-CG 3.91Å; W128-K135 HydrophobicContact CZ3-CB 4.12Å; W128-K135 HydrophobicContact CZ3-CD 3.72Å; W128-K135 HydrophobicContact CZ3-CG 3.81Å; W128-V193 HydrophobicContact CZ2-CG2 4.42Å; W128-L215 PolarHBondContact NE1-O 2.82Å; W128-L215 VanDerWaalsContact NE1-O 3.09Å
129V62.5Low56.4Low60 Ų6089.8 Ų89.836%0.36452%0.517SS..SBendtrans-74-22.2-166.71670000113.2K131 F196 P214 L215V129-K131 PolarHBondContact O-N 3.3Å; V129-F196 HydrophobicContact CG1-CE1 3.89Å; V129-F196 HydrophobicContact CG1-CE2 4.28Å; V129-F196 HydrophobicContact CG1-CZ 3.53Å; V129-P214 HydrophobicContact CG2-CB 3.87Å; V129-P214 HydrophobicContact CG2-CG 4.08Å; V129-P214 PolarHBondContact N-O 3.33Å; V129-L215 HydrophobicContact CB-CD2 3.74Å; V129-L215 HydrophobicContact CB-CG 4.1Å; V129-L215 HydrophobicContact CG1-CD2 3.88Å; V129-L215 HydrophobicContact CG1-CG 4.3Å
130V71.3Confident59.2Low2 Ų287.7 Ų87.71%0.01250%0.499CS..SBendtrans-72.6118.8167.7-174.70000108.3W128 E134 K135 F138 F196 L215W128-V130 VanDerWaalsContact C-N 3.31Å; W128-V130 HydrophobicContact CD2-CB 3.94Å; W128-V130 HydrophobicContact CD2-CG2 4.27Å; W128-V130 HydrophobicContact CE3-CB 3.8Å; W128-V130 HydrophobicContact CH2-CB 3.76Å; W128-V130 HydrophobicContact CH2-CG1 4.01Å; W128-V130 HydrophobicContact CH2-CG2 4.04Å; W128-V130 HydrophobicContact CZ2-CB 3.88Å; W128-V130 HydrophobicContact CZ2-CG2 3.69Å; W128-V130 HydrophobicContact CZ3-CB 3.69Å; W128-V130 HydrophobicContact CZ3-CG1 3.99Å; W128-V130 HydrophobicContact CZ3-CG2 4.43Å; W128-V130 PolarHBondContact O-N 3.5Å; V130-E134 HydrophobicContact CG1-CB 4.12Å; V130-K135 HydrophobicContact CG1-CB 4.27Å; V130-F138 HydrophobicContact CG1-CD2 4Å; V130-F138 HydrophobicContact CG1-CE2 3.84Å; V130-F196 HydrophobicContact CB-CD2 4.34Å; V130-F196 HydrophobicContact CG1-CD2 4.49Å; V130-F196 HydrophobicContact CG2-CB 3.8Å; V130-F196 HydrophobicContact CG2-CD2 3.81Å; V130-F196 HydrophobicContact CG2-CG 3.8Å; V130-L215 HydrophobicContact CG2-CD2 4.43Å
131K75.5Confident62Low116 Ų11679.1 Ų79.150%0.50447%0.471SS..  trans-68.5151.8179.9-55.6-174.1-164.371.40110.8V129 E133 E134 K135V129-K131 PolarHBondContact O-N 3.3Å; K131-E133 WeakPolarHBondContact CB-OE2 3.47Å; K131-E133 PolarHBondContact O-N 3.48Å; K131-E134 HydrophobicContact CB-CB 4.38Å; K131-E134 HydrophobicContact CB-CG 4.16Å; K131-E134 WeakPolarHBondContact CB-OE2 3.47Å; K131-E134 WeakPolarHBondContact CD-OE1 3.3Å; K131-E134 WeakPolarHBondContact CG-OE2 3.2Å; K131-E134 PolarHBondContact N-OE2 2.96Å; K131-E134 IonicContact NZ-OE1 3.33Å; K131-E134 PolarHBondContact NZ-OE1 2.93Å; K131-E134 IonicContact NZ-OE2 2.65Å; K131-E134 WeakPolarHBondContact O-CB 3.32Å; K131-E134 PolarHBondContact O-N 3.49Å; K131-E134 VanDerWaalsContact O-N 3.09Å; K131-K135 PolarHBondContact O-N 3.41Å
132P68.6Low64.8Low83 Ų8376 Ų7654%0.53944%0.438SS..Hα-helixtrans-53.8-37.2176.8-25.934.9000113.5K135 M136P132-K135 PolarHBondContact O-N 2.91Å; P132-M136 WeakPolarHBondContact O-CG 3.37Å; P132-M136 PolarHBondContact O-N 3.14Å
133E72.3Confident67.6Low113 Ų11374.2 Ų74.253%0.52842%0.42SS..Hα-helixtrans-73.1-30-178.5-54.569.3-146.500112.1K131K131-E133 WeakPolarHBondContact CB-OE2 3.47Å; K131-E133 PolarHBondContact O-N 3.48Å
134E74.8Confident70.1Confident45 Ų4574.2 Ų74.221%0.2141%0.414CS..Hα-helixtrans-75.1-42.8171.5-69.3156.8-172.400110V130 K131 M136 K137 F138V130-E134 HydrophobicContact CG1-CB 4.12Å; K131-E134 HydrophobicContact CB-CB 4.38Å; K131-E134 HydrophobicContact CB-CG 4.16Å; K131-E134 WeakPolarHBondContact CB-OE2 3.47Å; K131-E134 WeakPolarHBondContact CD-OE1 3.3Å; K131-E134 WeakPolarHBondContact CG-OE2 3.2Å; K131-E134 PolarHBondContact N-OE2 2.96Å; K131-E134 IonicContact NZ-OE1 3.33Å; K131-E134 PolarHBondContact NZ-OE1 2.93Å; K131-E134 IonicContact NZ-OE2 2.65Å; K131-E134 WeakPolarHBondContact O-CB 3.32Å; K131-E134 PolarHBondContact O-N 3.49Å; K131-E134 VanDerWaalsContact O-N 3.09Å; E134-M136 VanDerWaalsContact C-N 3.31Å; E134-M136 PolarHBondContact O-N 2.93Å; E134-K137 WeakPolarHBondContact O-CB 3.32Å; E134-K137 PolarHBondContact O-N 3.45Å; E134-F138 HydrophobicContact CB-CE2 4.04Å; E134-F138 HydrophobicContact CB-CZ 4.32Å; E134-F138 WeakPolarHBondContact O-CD2 3.24Å; E134-F138 WeakPolarHBondContact O-CG 3.5Å; E134-F138 PolarHBondContact O-N 2.82Å; E134-F138 VanDerWaalsContact O-N 3.13Å
135K78.4Confident72.5Confident44 Ų4472.3 Ų72.319%0.19139%0.392CS..Hα-helixtrans-56.9-44.6176.3-158.8-159-173.9163.50111.4W128 V130 K131 P132 K137 F138 D139 D189W128-K135 HydrophobicContact CH2-CD 4Å; W128-K135 HydrophobicContact CH2-CG 3.91Å; W128-K135 HydrophobicContact CZ3-CB 4.12Å; W128-K135 HydrophobicContact CZ3-CD 3.72Å; W128-K135 HydrophobicContact CZ3-CG 3.81Å; V130-K135 HydrophobicContact CG1-CB 4.27Å; K131-K135 PolarHBondContact O-N 3.41Å; P132-K135 PolarHBondContact O-N 2.91Å; K135-K137 PolarHBondContact O-N 3.44Å; K135-K137 VanDerWaalsContact O-N 3.15Å; K135-F138 PolarHBondContact O-N 2.87Å; K135-F138 VanDerWaalsContact O-N 3.11Å; K135-D139 VanDerWaalsContact CE-OD1 3.29Å; K135-D139 WeakPolarHBondContact CE-OD1 3.36Å; K135-D139 WeakPolarHBondContact O-CB 3.43Å; K135-D139 VanDerWaalsContact O-CG 3.31Å; K135-D139 PolarHBondContact O-N 3.35Å; K135-D189 IonicContact NZ-OD1 3.3Å; K135-D189 PolarHBondContact NZ-OD1 2.85Å
136M79.2Confident74.6Confident125 Ų12567.1 Ų67.162%0.61637%0.373SS*.Hα-helixtrans-56.5-32.9178.6-70.3179.3-146.200113P132 E134 A140P132-M136 WeakPolarHBondContact O-CG 3.37Å; P132-M136 PolarHBondContact O-N 3.14Å; E134-M136 VanDerWaalsContact C-N 3.31Å; E134-M136 PolarHBondContact O-N 2.93Å; M136-A140 WeakPolarHBondContact O-CB 3.33Å; M136-A140 PolarHBondContact O-N 3.22Å; M136-A140 VanDerWaalsContact O-N 3.13Å
137K80.5Confident76.7Confident143 Ų14365.6 Ų65.662%0.62236%0.358SS*.Hα-helixtrans-73.4-46.2175.7-60177-175.7-178.60111.4E134 K135 D139 A140 I141E134-K137 WeakPolarHBondContact O-CB 3.32Å; E134-K137 PolarHBondContact O-N 3.45Å; K135-K137 PolarHBondContact O-N 3.44Å; K135-K137 VanDerWaalsContact O-N 3.15Å; K137-D139 VanDerWaalsContact C-N 3.34Å; K137-D139 PolarHBondContact O-N 3.39Å; K137-A140 PolarHBondContact O-N 3.37Å; K137-I141 WeakPolarHBondContact O-CG1 3.2Å; K137-I141 PolarHBondContact O-N 3.46Å; K137-I141 VanDerWaalsContact O-N 3.13Å
138F85.1Confident78.1Confident26 Ų2665.9 Ų65.911%0.11436%0.357CS..Hα-helixtrans-65.7-37.7177.8-53-31000112V130 E134 K135 I141 F142 F191 M195 F196V130-F138 HydrophobicContact CG1-CD2 4Å; V130-F138 HydrophobicContact CG1-CE2 3.84Å; E134-F138 HydrophobicContact CB-CE2 4.04Å; E134-F138 HydrophobicContact CB-CZ 4.32Å; E134-F138 WeakPolarHBondContact O-CD2 3.24Å; E134-F138 WeakPolarHBondContact O-CG 3.5Å; E134-F138 PolarHBondContact O-N 2.82Å; E134-F138 VanDerWaalsContact O-N 3.13Å; K135-F138 PolarHBondContact O-N 2.87Å; K135-F138 VanDerWaalsContact O-N 3.11Å; F138-I141 PolarHBondContact O-N 3.31Å; F138-F142 WeakPolarHBondContact O-CB 3.37Å; F138-F142 PolarHBondContact O-N 3.05Å; F138-F191 WeakPolarHBondContact O-CE1 3.41Å; F138-M195 HydrophobicContact CB-CB 4.26Å; F138-M195 HydrophobicContact CB-CG 4.34Å; F138-M195 HydrophobicContact CD1-CB 3.45Å; F138-M195 VanDerWaalsContact CD1-CB 3.45Å; F138-M195 HydrophobicContact CD1-CG 4.01Å; F138-M195 HydrophobicContact CD2-CB 4.04Å; F138-M195 HydrophobicContact CE1-CB 3.69Å; F138-M195 HydrophobicContact CE2-CB 4.23Å; F138-M195 HydrophobicContact CG-CB 3.65Å; F138-M195 HydrophobicContact CG-CG 4.22Å; F138-M195 HydrophobicContact CZ-CB 4.07Å; F138-F196 HydrophobicContact CE2-CB 4.23Å
139D83.8Confident78.8Confident20 Ų2067.6 Ų67.611%0.10739%0.39CS..Hα-helixtrans-62.1-39.9173.3-84.6-3.7000112.3K135 K137 F142 E143 R188K135-D139 VanDerWaalsContact CE-OD1 3.29Å; K135-D139 WeakPolarHBondContact CE-OD1 3.36Å; K135-D139 WeakPolarHBondContact O-CB 3.43Å; K135-D139 VanDerWaalsContact O-CG 3.31Å; K135-D139 PolarHBondContact O-N 3.35Å; K137-D139 VanDerWaalsContact C-N 3.34Å; K137-D139 PolarHBondContact O-N 3.39Å; D139-F142 WeakPolarHBondContact O-CB 3.49Å; D139-F142 PolarHBondContact O-N 2.97Å; D139-E143 PolarHBondContact O-N 3.04Å; D139-R188 VanDerWaalsContact CB-NH2 3.32Å; D139-R188 WeakPolarHBondContact OD1-CG 3.29Å; D139-R188 IonicContact OD1-CZ 3.73Å; D139-R188 IonicContact OD1-NE 3.8Å; D139-R188 PolarHBondContact OD1-NE 3.02Å; D139-R188 IonicContact OD1-NH2 3.87Å; D139-R188 IonicContact OD2-CZ 3.32Å; D139-R188 VanDerWaalsContact OD2-CZ 3.3Å; D139-R188 IonicContact OD2-NE 2.75Å; D139-R188 PolarHBondContact OD2-NE 2.94Å; D139-R188 IonicContact OD2-NH2 2.72Å; D139-R188 PolarHBondContact OD2-NH2 3.45Å
140A85.3Confident79.7Confident62 Ų6266.8 Ų66.851%0.51239%0.393SS..Hα-helixtrans-68.6-36.6176.200000112.3M136 K137 S144M136-A140 WeakPolarHBondContact O-CB 3.33Å; M136-A140 PolarHBondContact O-N 3.22Å; M136-A140 VanDerWaalsContact O-N 3.13Å; K137-A140 PolarHBondContact O-N 3.37Å; A140-S144 PolarHBondContact O-N 3.43Å; A140-S144 VanDerWaalsContact O-N 3.13Å; A140-S144 PolarHBondContact O-OG 2.91Å
141I84.3Confident80.2Confident66 Ų6669.3 Ų69.334%0.33841%0.406SS..Hα-helixtrans-69.6-39.2172.8-61.6164000110.5K137 F138 E143 S144 L145 V160 F191K137-I141 WeakPolarHBondContact O-CG1 3.2Å; K137-I141 PolarHBondContact O-N 3.46Å; K137-I141 VanDerWaalsContact O-N 3.13Å; F138-I141 PolarHBondContact O-N 3.31Å; I141-E143 VanDerWaalsContact C-N 3.32Å; I141-E143 PolarHBondContact O-N 3.35Å; I141-S144 PolarHBondContact O-N 2.72Å; I141-S144 PolarHBondContact O-OG 2.97Å; I141-S144 VanDerWaalsContact O-OG 3.09Å; I141-L145 HydrophobicContact CG2-CD1 4.11Å; I141-L145 WeakPolarHBondContact O-CD1 3.38Å; I141-L145 VanDerWaalsContact O-CG 3.24Å; I141-L145 WeakPolarHBondContact O-CG 3.17Å; I141-L145 PolarHBondContact O-N 3.12Å; I141-V160 HydrophobicContact CG2-CG1 4.4Å; I141-F191 HydrophobicContact CB-CE1 4.17Å; I141-F191 HydrophobicContact CB-CZ 4.46Å; I141-F191 HydrophobicContact CG2-CE1 3.98Å; I141-F191 HydrophobicContact CG2-CZ 3.77Å
142F85.5Confident80.7Confident4 Ų463.8 Ų63.82%0.01838%0.382CS..Hα-helixtrans-58.6-44.6175.7-177.5-93.2000111.8F138 D139 P147 G150 L152 R188 F191F138-F142 WeakPolarHBondContact O-CB 3.37Å; F138-F142 PolarHBondContact O-N 3.05Å; D139-F142 WeakPolarHBondContact O-CB 3.49Å; D139-F142 PolarHBondContact O-N 2.97Å; F142-P147 HydrophobicContact CD1-CB 4.25Å; F142-P147 HydrophobicContact CD1-CG 4.12Å; F142-P147 HydrophobicContact CE1-CB 3.55Å; F142-P147 HydrophobicContact CE1-CG 3.74Å; F142-P147 HydrophobicContact CZ-CB 3.82Å; F142-G150 WeakPolarHBondContact CZ-O 3.5Å; F142-L152 HydrophobicContact CD2-CD1 3.41Å; F142-L152 VanDerWaalsContact CD2-CD1 3.41Å; F142-L152 HydrophobicContact CD2-CG 4.01Å; F142-L152 HydrophobicContact CE2-CB 4.35Å; F142-L152 HydrophobicContact CE2-CD1 3.67Å; F142-L152 HydrophobicContact CE2-CG 3.74Å; F142-L152 HydrophobicContact CG-CD1 4.13Å; F142-L152 HydrophobicContact CZ-CG 4.27Å; F142-R188 HydrophobicContact CD1-CB 4.17Å; F142-R188 HydrophobicContact CD1-CG 4.1Å; F142-R188 HydrophobicContact CE1-CB 3.9Å; F142-R188 HydrophobicContact CE1-CG 4.31Å; F142-R188 HydrophobicContact CE2-CB 4.27Å; F142-R188 HydrophobicContact CG-CB 4.47Å; F142-R188 HydrophobicContact CG-CG 4.34Å; F142-R188 HydrophobicContact CZ-CB 3.95Å; F142-F191 HydrophobicContact CB-CD1 3.84Å; F142-F191 HydrophobicContact CB-CE1 4.15Å; F142-F191 HydrophobicContact CB-CG 4.45Å; F142-F191 HydrophobicContact CD2-CB 3.58Å; F142-F191 AromaticContact CD2-CD1 3.94Å; F142-F191 HydrophobicContact CD2-CD1 3.94Å; F142-F191 HydrophobicContact CD2-CD2 4.33Å; F142-F191 AromaticContact CD2-CG 3.69Å; F142-F191 HydrophobicContact CD2-CG 3.69Å; F142-F191 HydrophobicContact CE2-CB 4.05Å; F142-F191 HydrophobicContact CG-CD1 4.4Å
143E86Confident81.4Confident110 Ų11062.3 Ų62.351%0.51437%0.373SS..Hα-helixtrans-68.7-41.9179.3-156.467.1-128.300112.2D139 I141 L145 G146 R188D139-E143 PolarHBondContact O-N 3.04Å; I141-E143 VanDerWaalsContact C-N 3.32Å; I141-E143 PolarHBondContact O-N 3.35Å; E143-L145 PolarHBondContact O-N 3.47Å; E143-G146 PolarHBondContact O-N 2.96Å; E143-R188 IonicContact OE2-NH1 3.34Å; E143-R188 PolarHBondContact OE2-NH1 2.75Å
144S85.9Confident81.8Confident98 Ų9857.1 Ų57.169%0.68535%0.351SS*.Hα-helixtrans-66.9-21.6-178.970.90000113.8A140 I141 G146A140-S144 PolarHBondContact O-N 3.43Å; A140-S144 VanDerWaalsContact O-N 3.13Å; A140-S144 PolarHBondContact O-OG 2.91Å; I141-S144 PolarHBondContact O-N 2.72Å; I141-S144 PolarHBondContact O-OG 2.97Å; I141-S144 VanDerWaalsContact O-OG 3.09Å; S144-G146 PolarHBondContact O-N 3.43Å
145L81.8Confident82.1Confident42 Ų4260.5 Ų60.522%0.2237%0.37CS..THydrogen-bonded Turntrans-77.1-6.6172.3-64.6165.5000113.4I141 E143 L152 K156 V160 F191I141-L145 HydrophobicContact CG2-CD1 4.11Å; I141-L145 WeakPolarHBondContact O-CD1 3.38Å; I141-L145 VanDerWaalsContact O-CG 3.24Å; I141-L145 WeakPolarHBondContact O-CG 3.17Å; I141-L145 PolarHBondContact O-N 3.12Å; E143-L145 PolarHBondContact O-N 3.47Å; L145-L152 HydrophobicContact CB-CD1 3.98Å; L145-L152 HydrophobicContact CB-CD2 3.8Å; L145-L152 HydrophobicContact CD1-CD1 3.8Å; L145-K156 PolarHBondContact O-NZ 3.28Å; L145-V160 HydrophobicContact CD1-CG2 3.82Å; L145-V160 HydrophobicContact CD2-CG2 3.48Å; L145-V160 VanDerWaalsContact CD2-CG2 3.48Å; L145-V160 HydrophobicContact CG-CG2 4.28Å; L145-F191 HydrophobicContact CD1-CE2 3.92Å; L145-F191 HydrophobicContact CD1-CZ 3.82Å
146G78Confident82.3Confident34 Ų3462.3 Ų62.335%0.35138%0.378SS..  trans68.474.9176.800000112.8E143 S144 V148 K156E143-G146 PolarHBondContact O-N 2.96Å; S144-G146 PolarHBondContact O-N 3.43Å; G146-V148 PolarHBondContact O-N 3.13Å; G146-K156 PolarHBondContact O-NZ 3.4Å
147P84.5Confident82.5Confident26 Ų2656.4 Ų56.417%0.16935%0.349CS..  trans-66.3127.8-176.727.3-33.6000111.5F142 G149 M151 L152F142-P147 HydrophobicContact CD1-CB 4.25Å; F142-P147 HydrophobicContact CD1-CG 4.12Å; F142-P147 HydrophobicContact CE1-CB 3.55Å; F142-P147 HydrophobicContact CE1-CG 3.74Å; F142-P147 HydrophobicContact CZ-CB 3.82Å; P147-G149 PolarHBondContact O-N 3.24Å; P147-M151 CarbonylContact C-O 3.42Å; P147-M151 WeakPolarHBondContact CA-O 3.49Å; P147-L152 HydrophobicContact CB-CD2 4.19Å; P147-L152 HydrophobicContact CB-CG 4.35Å
148V74.9Confident82.5Confident116 Ų11655 Ų5570%0.70334%0.343SS*.BIsolated β-bridgetrans-91.1101.6-177.4-177.90000108.1G146 G150 M151G146-V148 PolarHBondContact O-N 3.13Å; V148-G150 VanDerWaalsContact C-N 3.32Å; V148-M151 PolarHBondContact N-O 3.43Å
149G76.9Confident82.4Confident85 Ų8557.2 Ų57.288%0.87636%0.36SS*.THydrogen-bonded Turntrans74.519.6-175.700000114.4P147P147-G149 PolarHBondContact O-N 3.24Å
150G80.5Confident82.3Confident42 Ų4258.1 Ų58.143%0.43337%0.366SS..THydrogen-bonded Turntrans87.412.7-177.800000114.8F142 V148F142-G150 WeakPolarHBondContact CZ-O 3.5Å; V148-G150 VanDerWaalsContact C-N 3.32Å
151M82.7Confident82.2Confident55 Ų5555.4 Ų55.427%0.27134%0.343SS..BIsolated β-bridgetrans-130.9151.9176.5-68.4167.712000110.7P147 V148 D183 M185 L186 D187P147-M151 CarbonylContact C-O 3.42Å; P147-M151 WeakPolarHBondContact CA-O 3.49Å; V148-M151 PolarHBondContact N-O 3.43Å; M151-D183 WeakPolarHBondContact CE-OD2 3.44Å; M151-M185 HydrophobicContact CB-CB 4.27Å; M151-M185 HydrophobicContact CB-SD 4.35Å; M151-M185 HydrophobicContact CE-CE 3.98Å; M151-M185 HydrophobicContact SD-CE 3.7Å; M151-M185 HydrophobicContact SD-SD 4.44Å; M151-L186 WeakPolarHBondContact CA-O 3.44Å; M151-D187 HydrophobicContact CG-CB 4.49Å
152L84.9Confident82.1Confident0 Ų057.2 Ų57.20%035%0.353CS..EExtended strand (participates in β ladder)trans-112.7118.3172-69.8173.1000110F142 L145 P147 K156 V157 M185 L186 F191F142-L152 HydrophobicContact CD2-CD1 3.41Å; F142-L152 VanDerWaalsContact CD2-CD1 3.41Å; F142-L152 HydrophobicContact CD2-CG 4.01Å; F142-L152 HydrophobicContact CE2-CB 4.35Å; F142-L152 HydrophobicContact CE2-CD1 3.67Å; F142-L152 HydrophobicContact CE2-CG 3.74Å; F142-L152 HydrophobicContact CG-CD1 4.13Å; F142-L152 HydrophobicContact CZ-CG 4.27Å; L145-L152 HydrophobicContact CB-CD1 3.98Å; L145-L152 HydrophobicContact CB-CD2 3.8Å; L145-L152 HydrophobicContact CD1-CD1 3.8Å; P147-L152 HydrophobicContact CB-CD2 4.19Å; P147-L152 HydrophobicContact CB-CG 4.35Å; L152-K156 HydrophobicContact CD2-CB 4.42Å; L152-K156 HydrophobicContact CD2-CD 3.87Å; L152-V157 HydrophobicContact CB-CG2 3.6Å; L152-V157 HydrophobicContact CD1-CG2 4.1Å; L152-V157 HydrophobicContact CG-CG2 4.48Å; L152-M185 CarbonylContact O-C 3.57Å; L152-M185 WeakPolarHBondContact O-CA 3.44Å; L152-L186 PolarHBondContact N-O 2.83Å; L152-L186 PolarHBondContact O-N 3.18Å; L152-F191 HydrophobicContact CD1-CD2 4.04Å; L152-F191 HydrophobicContact CD1-CE2 4.19Å
153S84Confident81.8Confident52 Ų5263.2 Ų63.236%0.36439%0.385SS..EExtended strand (participates in β ladder)trans-61.7145.9169.8172.50000110.9D155 K156 V157S153-D155 PolarHBondContact O-N 3.27Å; S153-K156 WeakPolarHBondContact O-CB 3.28Å; S153-K156 PolarHBondContact O-N 3.13Å; S153-V157 PolarHBondContact O-N 3.13Å
154G80.9Confident81.5Confident5 Ų559 Ų595%0.05237%0.367CS..Hα-helixtrans-53-29.3179.100000114.5K156 V157 K158 G184G154-K156 VanDerWaalsContact C-N 3.26Å; G154-K156 PolarHBondContact O-N 3.47Å; G154-V157 PolarHBondContact O-N 3.39Å; G154-V157 VanDerWaalsContact O-N 3.15Å; G154-K158 WeakPolarHBondContact O-CB 3.26Å; G154-K158 WeakPolarHBondContact O-CD 3.49Å; G154-K158 WeakPolarHBondContact O-CG 3.39Å; G154-K158 PolarHBondContact O-N 3.09Å; G154-G184 PolarHBondContact N-O 3.06Å
155D81.8Confident80.9Confident115 Ų11563 Ų6362%0.61537%0.372SS*.Hα-helixtrans-69.1-21.4177.2-60.5-36.4000113.8S153 K158 P159S153-D155 PolarHBondContact O-N 3.27Å; D155-K158 IonicContact OD1-NZ 3.58Å; D155-K158 PolarHBondContact OD1-NZ 3.33Å; D155-P159 WeakPolarHBondContact O-CD 3.38Å
156K81.1Confident80.8Confident83 Ų8362 Ų6236%0.36137%0.367SS..Hα-helixtrans-82.4-32.1168.7-74-166.7163.7-154.90113.1L145 G146 L152 S153 G154 P159L145-K156 PolarHBondContact O-NZ 3.28Å; G146-K156 PolarHBondContact O-NZ 3.4Å; L152-K156 HydrophobicContact CD2-CB 4.42Å; L152-K156 HydrophobicContact CD2-CD 3.87Å; S153-K156 WeakPolarHBondContact O-CB 3.28Å; S153-K156 PolarHBondContact O-N 3.13Å; G154-K156 VanDerWaalsContact C-N 3.26Å; G154-K156 PolarHBondContact O-N 3.47Å; K156-P159 WeakPolarHBondContact O-CD 3.23Å; K156-P159 WeakPolarHBondContact O-CG 3.31Å
157V83.1Confident81.1Confident0 Ų064 Ų640%037%0.374CS..Hα-helixtrans-87.7-34.3-173.7179.10000112.1L152 S153 G154 V160 L161 W175 L186 F191L152-V157 HydrophobicContact CB-CG2 3.6Å; L152-V157 HydrophobicContact CD1-CG2 4.1Å; L152-V157 HydrophobicContact CG-CG2 4.48Å; S153-V157 PolarHBondContact O-N 3.13Å; G154-V157 PolarHBondContact O-N 3.39Å; G154-V157 VanDerWaalsContact O-N 3.15Å; V157-V160 WeakPolarHBondContact O-CB 3.28Å; V157-V160 PolarHBondContact O-N 2.74Å; V157-L161 HydrophobicContact CG1-CD1 3.79Å; V157-L161 HydrophobicContact CG1-CG 3.84Å; V157-L161 PolarHBondContact O-N 2.9Å; V157-W175 HydrophobicContact CB-CZ3 3.82Å; V157-W175 HydrophobicContact CG1-CE3 4.48Å; V157-W175 HydrophobicContact CG1-CZ3 3.87Å; V157-W175 HydrophobicContact CG2-CZ3 4.35Å; V157-L186 HydrophobicContact CG1-CD1 4.1Å; V157-F191 HydrophobicContact CG1-CD2 4.17Å; V157-F191 HydrophobicContact CG1-CE2 3.98Å; V157-F191 HydrophobicContact CG2-CD2 4.17Å; V157-F191 HydrophobicContact CG2-CE2 4.23Å
158K82Confident80.9Confident113 Ų11367.7 Ų67.749%0.49140%0.396SS..Hα-helixtrans-46.1-50.6174.6-79.1163.8-162.8170.10114.1G154 D155 V160 L161 L162G154-K158 WeakPolarHBondContact O-CB 3.26Å; G154-K158 WeakPolarHBondContact O-CD 3.49Å; G154-K158 WeakPolarHBondContact O-CG 3.39Å; G154-K158 PolarHBondContact O-N 3.09Å; D155-K158 IonicContact OD1-NZ 3.58Å; D155-K158 PolarHBondContact OD1-NZ 3.33Å; K158-V160 VanDerWaalsContact C-N 3.3Å; K158-V160 PolarHBondContact O-N 3.47Å; K158-L161 PolarHBondContact O-N 3.49Å; K158-L162 VanDerWaalsContact O-CB 3.26Å; K158-L162 WeakPolarHBondContact O-CB 3.34Å; K158-L162 PolarHBondContact O-N 3.23Å
159P81.9Confident81.3Confident74 Ų7468.9 Ų68.948%0.48140%0.398SS..Hα-helixtrans-64.8-31.5178.824.1-34.5000113.3D155 K156 L162 N163D155-P159 WeakPolarHBondContact O-CD 3.38Å; K156-P159 WeakPolarHBondContact O-CD 3.23Å; K156-P159 WeakPolarHBondContact O-CG 3.31Å; P159-L162 PolarHBondContact O-N 2.82Å; P159-N163 WeakPolarHBondContact O-CB 3.35Å; P159-N163 PolarHBondContact O-N 3.18Å
160V82Confident81.6Confident38 Ų3867.9 Ų67.923%0.2337%0.372CS..Hα-helixtrans-72.6-42.7177.4-174.10000111I141 L145 V157 K158 N163I141-V160 HydrophobicContact CG2-CG1 4.4Å; L145-V160 HydrophobicContact CD1-CG2 3.82Å; L145-V160 HydrophobicContact CD2-CG2 3.48Å; L145-V160 VanDerWaalsContact CD2-CG2 3.48Å; L145-V160 HydrophobicContact CG-CG2 4.28Å; V157-V160 WeakPolarHBondContact O-CB 3.28Å; V157-V160 PolarHBondContact O-N 2.74Å; K158-V160 VanDerWaalsContact C-N 3.3Å; K158-V160 PolarHBondContact O-N 3.47Å; V160-N163 PolarHBondContact O-N 2.96Å
161L82.6Confident81.8Confident5 Ų566.5 Ų66.53%0.02636%0.355CS..Hα-helixtrans-60.7-44.8170.9-71.6176000111.1V157 K158 N163 S164 L171 V174 W175 M195 V198V157-L161 HydrophobicContact CG1-CD1 3.79Å; V157-L161 HydrophobicContact CG1-CG 3.84Å; V157-L161 PolarHBondContact O-N 2.9Å; K158-L161 PolarHBondContact O-N 3.49Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 2.76Å; L161-S164 VanDerWaalsContact O-CB 3.27Å; L161-S164 WeakPolarHBondContact O-CB 3.29Å; L161-S164 PolarHBondContact O-N 2.78Å; L161-S164 PolarHBondContact O-OG 2.88Å; L161-L171 HydrophobicContact CB-CD1 4.24Å; L161-L171 HydrophobicContact CB-CD2 4.04Å; L161-L171 HydrophobicContact CD2-CD2 4.4Å; L161-L171 WeakPolarHBondContact O-CD1 3.36Å; L161-V174 HydrophobicContact CD2-CG1 4.32Å; L161-W175 HydrophobicContact CD1-CE3 4.09Å; L161-M195 HydrophobicContact CD2-CE 3.59Å; L161-M195 HydrophobicContact CG-CE 4.44Å; L161-V198 HydrophobicContact CD2-CG2 3.51Å
162L83Confident81.8Confident104 Ų10465.8 Ų65.855%0.54536%0.362SS..Hα-helixtrans-66.6-32.8-179.5-167.565.8000112.4K158 P159 S164 K165 V168 L171K158-L162 VanDerWaalsContact O-CB 3.26Å; K158-L162 WeakPolarHBondContact O-CB 3.34Å; K158-L162 PolarHBondContact O-N 3.23Å; P159-L162 PolarHBondContact O-N 2.82Å; L162-S164 PolarHBondContact O-N 2.85Å; L162-K165 PolarHBondContact O-N 3Å; L162-V168 HydrophobicContact CD1-CG2 4.43Å; L162-L171 HydrophobicContact CD1-CD1 4.29Å
163N80.3Confident81.7Confident131 Ų13169.4 Ų69.470%0.70138%0.375SS*.THydrogen-bonded Turntrans-62.8-17.4172.1-16952.8000113.3P159 V160 L161 K165P159-N163 WeakPolarHBondContact O-CB 3.35Å; P159-N163 PolarHBondContact O-N 3.18Å; V160-N163 PolarHBondContact O-N 2.96Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 2.76Å; N163-K165 PolarHBondContact O-N 3.33Å
164S77.9Confident81.7Confident20 Ų2067 Ų6714%0.1436%0.358CS..THydrogen-bonded Turntrans-74.4-2.6170.780.10000114.1L161 L162 L166 V198 L202L161-S164 VanDerWaalsContact O-CB 3.27Å; L161-S164 WeakPolarHBondContact O-CB 3.29Å; L161-S164 PolarHBondContact O-N 2.78Å; L161-S164 PolarHBondContact O-OG 2.88Å; L162-S164 PolarHBondContact O-N 2.85Å; S164-L166 PolarHBondContact O-N 3.3Å; S164-V198 VanDerWaalsContact CB-CG1 3.45Å; S164-L202 WeakPolarHBondContact O-CD2 3.48Å
165K73.3Confident82Confident183 Ų18369 Ų6980%0.79636%0.364SS*.  trans59.77.4178-54.4178.1-177174.20115.8L162 N163L162-K165 PolarHBondContact O-N 3Å; N163-K165 PolarHBondContact O-N 3.33Å
166L81.3Confident82.2Confident20 Ų2067.9 Ų67.911%0.10536%0.355CS..  trans-69.6147.4173.6-66.6172.2000111.1S164 I170 L171 V198 A201 L202S164-L166 PolarHBondContact O-N 3.3Å; L166-I170 HydrophobicContact CB-CG2 4.19Å; L166-I170 HydrophobicContact CD1-CG2 4.3Å; L166-L171 HydrophobicContact CB-CD1 4.49Å; L166-L171 HydrophobicContact CB-CD2 3.75Å; L166-L171 HydrophobicContact CB-CG 3.91Å; L166-L171 HydrophobicContact CD1-CD2 4.01Å; L166-L171 HydrophobicContact CG-CD2 4.47Å; L166-L171 WeakPolarHBondContact O-CD1 3.48Å; L166-V198 HydrophobicContact CD1-CB 4.31Å; L166-V198 HydrophobicContact CD1-CG1 4.04Å; L166-V198 HydrophobicContact CD1-CG2 4.24Å; L166-A201 HydrophobicContact CD1-CB 3.65Å; L166-A201 HydrophobicContact CD2-CB 4.11Å; L166-L202 HydrophobicContact CD1-CG 4.42Å; L166-L202 HydrophobicContact CD2-CD2 4.12Å; L166-L202 HydrophobicContact CD2-CG 4.28Å; L166-L202 HydrophobicContact CG-CD2 4.33Å; L166-L202 HydrophobicContact CG-CG 4.32Å
167P83.3Confident82.2Confident76 Ų7664.7 Ų64.749%0.49434%0.342SS..  trans-52144.5175.4-29.135.1000113.5D169 I170 L171P167-D169 PolarHBondContact O-N 2.86Å; P167-I170 HydrophobicContact CB-CB 4.3Å; P167-I170 HydrophobicContact CB-CD1 4.32Å; P167-I170 HydrophobicContact CB-CG1 4.22Å; P167-I170 HydrophobicContact CG-CD1 4.02Å; P167-I170 HydrophobicContact CG-CG1 4.46Å; P167-I170 WeakPolarHBondContact O-CA 3.3Å; P167-I170 WeakPolarHBondContact O-CB 3.44Å; P167-I170 PolarHBondContact O-N 3.26Å; P167-L171 PolarHBondContact O-N 3.26Å
168V81.5Confident82.3Confident105 Ų10564.7 Ų64.764%0.63634%0.342SS*.Hα-helixtrans-60-33.8-175.5-179.20000112.3L162 L171 G172L162-V168 HydrophobicContact CD1-CG2 4.43Å; V168-L171 PolarHBondContact O-N 3.49Å; V168-G172 PolarHBondContact O-N 3.48Å
169D81.7Confident82.4Confident140 Ų14060 Ų6075%0.74932%0.323SS*.Hα-helixtrans-67.4-35.7174.4-56.1-64.9000112.8P167 R173P167-D169 PolarHBondContact O-N 2.86Å; D169-R173 WeakPolarHBondContact O-CB 3.46Å; D169-R173 PolarHBondContact O-N 2.93Å
170I82.8Confident82.3Confident65 Ų6559 Ų5933%0.33331%0.313SS..Hα-helixtrans-69.9-44.6176.1-70-174.2000109.4L166 P167 R173 V174 A201 I207L166-I170 HydrophobicContact CB-CG2 4.19Å; L166-I170 HydrophobicContact CD1-CG2 4.3Å; P167-I170 HydrophobicContact CB-CB 4.3Å; P167-I170 HydrophobicContact CB-CD1 4.32Å; P167-I170 HydrophobicContact CB-CG1 4.22Å; P167-I170 HydrophobicContact CG-CD1 4.02Å; P167-I170 HydrophobicContact CG-CG1 4.46Å; P167-I170 WeakPolarHBondContact O-CA 3.3Å; P167-I170 WeakPolarHBondContact O-CB 3.44Å; P167-I170 PolarHBondContact O-N 3.26Å; I170-R173 CarbonylContact O-C 3.5Å; I170-R173 PolarHBondContact O-N 3.43Å; I170-V174 WeakPolarHBondContact O-CG2 3.24Å; I170-V174 PolarHBondContact O-N 3.17Å; I170-A201 HydrophobicContact CG2-CB 4.36Å; I170-I207 HydrophobicContact CG2-CD1 3.47Å; I170-I207 VanDerWaalsContact CG2-CD1 3.47Å; I170-I207 HydrophobicContact CG2-CG1 4.31Å
171L85Confident82.2Confident13 Ų1360.9 Ų60.97%0.06832%0.322CS..Hα-helixtrans-65.9-38.5174.5-66.1180000113.1L161 L162 L166 P167 V168 R173 V174 W175 V198L161-L171 HydrophobicContact CB-CD1 4.24Å; L161-L171 HydrophobicContact CB-CD2 4.04Å; L161-L171 HydrophobicContact CD2-CD2 4.4Å; L161-L171 WeakPolarHBondContact O-CD1 3.36Å; L162-L171 HydrophobicContact CD1-CD1 4.29Å; L166-L171 HydrophobicContact CB-CD1 4.49Å; L166-L171 HydrophobicContact CB-CD2 3.75Å; L166-L171 HydrophobicContact CB-CG 3.91Å; L166-L171 HydrophobicContact CD1-CD2 4.01Å; L166-L171 HydrophobicContact CG-CD2 4.47Å; L166-L171 WeakPolarHBondContact O-CD1 3.48Å; P167-L171 PolarHBondContact O-N 3.26Å; V168-L171 PolarHBondContact O-N 3.49Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 3.36Å; L171-V174 WeakPolarHBondContact O-CB 3.39Å; L171-V174 PolarHBondContact O-N 2.9Å; L171-W175 PolarHBondContact O-N 3.49Å; L171-V198 HydrophobicContact CD2-CG2 4.08Å
172G83.5Confident82.1Confident40 Ų4069 Ų6941%0.41235%0.352SS..Hα-helixtrans-62.2-34.6171.600000112V168 W175 E176V168-G172 PolarHBondContact O-N 3.48Å; G172-W175 WeakPolarHBondContact O-CB 3.4Å; G172-W175 PolarHBondContact O-N 2.94Å; G172-E176 PolarHBondContact O-N 3.4Å
173R82.3Confident82Confident76 Ų7667.5 Ų67.529%0.28735%0.345SS..Hα-helixtrans-75.6-34.8173.3-164.2158.3-156.667.212.4113.2D169 I170 L171 W175 E176 L177 I207 M209D169-R173 WeakPolarHBondContact O-CB 3.46Å; D169-R173 PolarHBondContact O-N 2.93Å; I170-R173 CarbonylContact O-C 3.5Å; I170-R173 PolarHBondContact O-N 3.43Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 3.36Å; R173-W175 VanDerWaalsContact C-N 3.27Å; R173-W175 PolarHBondContact O-N 2.84Å; R173-E176 IonicContact NH1-OE2 2.8Å; R173-E176 PolarHBondContact NH1-OE2 2.96Å; R173-L177 HydrophobicContact CG-CD1 4.16Å; R173-L177 HydrophobicContact CG-CG 4.5Å; R173-L177 WeakPolarHBondContact O-CB 3.4Å; R173-L177 WeakPolarHBondContact O-CD1 3.45Å; R173-L177 WeakPolarHBondContact O-CG 3.49Å; R173-L177 PolarHBondContact O-N 3.29Å; R173-L177 VanDerWaalsContact O-N 3.15Å; R173-I207 HydrophobicContact CG-CG2 4.29Å; R173-M209 PolarHBondContact NH2-O 3.15Å
174V85.3Confident82Confident0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-56.2-46.8166.1173.80000109.6L161 I170 L171 L177 S178 A194 L197 V198 I207L161-V174 HydrophobicContact CD2-CG1 4.32Å; I170-V174 WeakPolarHBondContact O-CG2 3.24Å; I170-V174 PolarHBondContact O-N 3.17Å; L171-V174 WeakPolarHBondContact O-CB 3.39Å; L171-V174 PolarHBondContact O-N 2.9Å; V174-L177 PolarHBondContact O-N 3.19Å; V174-S178 WeakPolarHBondContact O-CB 3.47Å; V174-S178 PolarHBondContact O-N 3.06Å; V174-S178 PolarHBondContact O-OG 2.92Å; V174-A194 HydrophobicContact CG1-CB 3.97Å; V174-A194 WeakPolarHBondContact CG1-O 3.41Å; V174-L197 HydrophobicContact CG1-CB 4.08Å; V174-L197 HydrophobicContact CG2-CB 4.15Å; V174-V198 HydrophobicContact CG1-CG2 4.22Å; V174-V198 HydrophobicContact CG2-CG2 4.16Å; V174-I207 HydrophobicContact CG2-CD1 3.44Å; V174-I207 VanDerWaalsContact CG2-CD1 3.44Å
175W87.3Confident82.4Confident47 Ų4765 Ų6518%0.17834%0.337CS..Hα-helixtrans-60.8-54.5179.8-173.2-81.9000112.3V157 L161 L171 G172 R173 L177 S178 D179 L186V157-W175 HydrophobicContact CB-CZ3 3.82Å; V157-W175 HydrophobicContact CG1-CE3 4.48Å; V157-W175 HydrophobicContact CG1-CZ3 3.87Å; V157-W175 HydrophobicContact CG2-CZ3 4.35Å; L161-W175 HydrophobicContact CD1-CE3 4.09Å; L171-W175 PolarHBondContact O-N 3.49Å; G172-W175 WeakPolarHBondContact O-CB 3.4Å; G172-W175 PolarHBondContact O-N 2.94Å; R173-W175 VanDerWaalsContact C-N 3.27Å; R173-W175 PolarHBondContact O-N 2.84Å; W175-L177 PolarHBondContact O-N 3.37Å; W175-L177 VanDerWaalsContact O-N 3.12Å; W175-S178 PolarHBondContact O-N 2.63Å; W175-D179 PolarHBondContact NE1-OD2 3.04Å; W175-D179 WeakPolarHBondContact O-CB 3.42Å; W175-D179 PolarHBondContact O-N 3.05Å; W175-L186 HydrophobicContact CE3-CD1 4.16Å; W175-L186 HydrophobicContact CE3-CG 4.47Å; W175-L186 HydrophobicContact CH2-CD1 4.02Å; W175-L186 HydrophobicContact CH2-CD2 4.12Å; W175-L186 HydrophobicContact CH2-CG 3.58Å; W175-L186 HydrophobicContact CZ2-CD2 4.33Å; W175-L186 HydrophobicContact CZ2-CG 4.26Å; W175-L186 HydrophobicContact CZ3-CD1 3.57Å; W175-L186 HydrophobicContact CZ3-CD2 4.3Å; W175-L186 HydrophobicContact CZ3-CG 3.7Å
176E84.9Confident83Confident92 Ų9256.3 Ų56.343%0.4330%0.299SS..Hα-helixtrans-59.5-26.3-179.3-157.4-153.4166.900113.2G172 R173 R182G172-E176 PolarHBondContact O-N 3.4Å; R173-E176 IonicContact NH1-OE2 2.8Å; R173-E176 PolarHBondContact NH1-OE2 2.96Å; E176-R182 IonicContact OE1-NH2 3.62Å; E176-R182 PolarHBondContact OE1-NH2 3.15Å
177L82Confident83.2Confident17 Ų1757 Ų579%0.08930%0.303CS..Hα-helixtrans-82.2-38.4175.5-71.9172.9000112.6R173 V174 W175 L197 I207 P208 L211R173-L177 HydrophobicContact CG-CD1 4.16Å; R173-L177 HydrophobicContact CG-CG 4.5Å; R173-L177 WeakPolarHBondContact O-CB 3.4Å; R173-L177 WeakPolarHBondContact O-CD1 3.45Å; R173-L177 WeakPolarHBondContact O-CG 3.49Å; R173-L177 PolarHBondContact O-N 3.29Å; R173-L177 VanDerWaalsContact O-N 3.15Å; V174-L177 PolarHBondContact O-N 3.19Å; W175-L177 PolarHBondContact O-N 3.37Å; W175-L177 VanDerWaalsContact O-N 3.12Å; L177-L197 HydrophobicContact CB-CD1 3.93Å; L177-L197 HydrophobicContact CD1-CD1 4.29Å; L177-I207 HydrophobicContact CD1-CG2 3.43Å; L177-I207 VanDerWaalsContact CD1-CG2 3.43Å; L177-P208 WeakPolarHBondContact CD1-O 3.42Å; L177-L211 HydrophobicContact CB-CD1 4.47Å; L177-L211 HydrophobicContact CB-CG 4.19Å; L177-L211 HydrophobicContact CD2-CG 4.33Å; L177-L211 WeakPolarHBondContact O-CD1 3.24Å
178S83.6Confident83.3Confident0 Ų057.8 Ų57.80%030%0.296CS..Hα-helixtrans-82.5-31.1-172.3-51.90000113.1V174 W175 L180 E190 A194V174-S178 WeakPolarHBondContact O-CB 3.47Å; V174-S178 PolarHBondContact O-N 3.06Å; V174-S178 PolarHBondContact O-OG 2.92Å; W175-S178 PolarHBondContact O-N 2.63Å; S178-L180 PolarHBondContact O-N 2.93Å; S178-L180 VanDerWaalsContact O-N 3.12Å; S178-E190 WeakPolarHBondContact O-CB 3.47Å; S178-E190 VanDerWaalsContact O-CG 3.24Å; S178-E190 WeakPolarHBondContact O-CG 3.32Å; S178-A194 VanDerWaalsContact OG-CA 3.22Å; S178-A194 WeakPolarHBondContact OG-CA 3.17Å; S178-A194 WeakPolarHBondContact OG-CB 3.38Å; S178-A194 PolarHBondContact OG-N 3Å
179D85.6Confident83.3Confident14 Ų1454 Ų548%0.07527%0.272CS..  trans-76.986173.8-176.4-3.4000109.8W175 R182 D183 G184 L186W175-D179 PolarHBondContact NE1-OD2 3.04Å; W175-D179 WeakPolarHBondContact O-CB 3.42Å; W175-D179 PolarHBondContact O-N 3.05Å; D179-R182 WeakPolarHBondContact OD1-CA 3.43Å; D179-R182 PolarHBondContact OD1-N 3.35Å; D179-D183 PolarHBondContact OD1-N 3.35Å; D179-D183 VanDerWaalsContact OD1-N 3.11Å; D179-G184 PolarHBondContact OD2-N 3.09Å; D179-L186 HydrophobicContact CB-CD2 4.02Å
180L80.2Confident83.6Confident53 Ų5347.4 Ų47.428%0.27724%0.236SC..SBendtrans-83-20.4-166.3-74.1168.6000114.2S178 E190 L211 V216 P217 K220S178-L180 PolarHBondContact O-N 2.93Å; S178-L180 VanDerWaalsContact O-N 3.12Å; L180-E190 WeakPolarHBondContact CB-OE1 3.39Å; L180-E190 HydrophobicContact CD1-CG 4.37Å; L180-E190 PolarHBondContact N-OE1 2.9Å; L180-L211 HydrophobicContact CD2-CD1 3.8Å; L180-V216 HydrophobicContact CD1-CG1 4.33Å; L180-P217 HydrophobicContact CD1-CG 4.35Å; L180-K220 HydrophobicContact CB-CD 3.99Å; L180-K220 HydrophobicContact CD1-CB 4.48Å; L180-K220 HydrophobicContact CD1-CD 4.32Å
181D79.1Confident83.8Confident77 Ų7744.3 Ų44.341%0.41222%0.221SC..SBendtrans-107.6-3.8170.13239.3000114.7K220D181-K220 IonicContact OD1-NZ 2.75Å; D181-K220 PolarHBondContact OD1-NZ 2.76Å; D181-K220 WeakPolarHBondContact OD2-CE 3.46Å; D181-K220 IonicContact OD2-NZ 3.4Å; D181-K220 PolarHBondContact OD2-NZ 3.11Å
182R81.1Confident83.8Confident175 Ų17543.7 Ų43.766%0.6622%0.217SC*.  trans6643173-60.8179.4168.2-154-16.2112.7E176 D179E176-R182 IonicContact OE1-NH2 3.62Å; E176-R182 PolarHBondContact OE1-NH2 3.15Å; D179-R182 WeakPolarHBondContact OD1-CA 3.43Å; D179-R182 PolarHBondContact OD1-N 3.35Å
183D79.9Confident83.8Confident74 Ų7441.8 Ų41.840%0.39620%0.198SC..SBendtrans-93.9-10.6178.894.6-5.8000113.8M151 D179 M185M151-D183 WeakPolarHBondContact CE-OD2 3.44Å; D179-D183 PolarHBondContact OD1-N 3.35Å; D179-D183 VanDerWaalsContact OD1-N 3.11Å; D183-M185 WeakPolarHBondContact OD1-CA 3.41Å; D183-M185 VanDerWaalsContact OD1-CB 3.32Å; D183-M185 WeakPolarHBondContact OD1-CB 3.27Å; D183-M185 PolarHBondContact OD1-N 2.88Å; D183-M185 VanDerWaalsContact OD2-CE 3.24Å; D183-M185 WeakPolarHBondContact OD2-CE 3.36Å
184G81.2Confident84Confident35 Ų3538.2 Ų38.236%0.36118%0.184SC..SBendtrans85.86.4178.100000114.6G154 D179G154-G184 PolarHBondContact N-O 3.06Å; D179-G184 PolarHBondContact OD2-N 3.09Å
185M84.8Confident84.1Confident64 Ų6439.1 Ų39.132%0.31519%0.189SC..EExtended strand (participates in β ladder)trans-119.9171169.8-51.7178.8-72.700108.8M151 L152 D183M151-M185 HydrophobicContact CB-CB 4.27Å; M151-M185 HydrophobicContact CB-SD 4.35Å; M151-M185 HydrophobicContact CE-CE 3.98Å; M151-M185 HydrophobicContact SD-CE 3.7Å; M151-M185 HydrophobicContact SD-SD 4.44Å; L152-M185 CarbonylContact O-C 3.57Å; L152-M185 WeakPolarHBondContact O-CA 3.44Å; D183-M185 WeakPolarHBondContact OD1-CA 3.41Å; D183-M185 VanDerWaalsContact OD1-CB 3.32Å; D183-M185 WeakPolarHBondContact OD1-CB 3.27Å; D183-M185 PolarHBondContact OD1-N 2.88Å; D183-M185 VanDerWaalsContact OD2-CE 3.24Å; D183-M185 WeakPolarHBondContact OD2-CE 3.36Å
186L86.4Confident83.9Confident0 Ų037.6 Ų37.60%018%0.184CC..EExtended strand (participates in β ladder)trans-120.8133.1166.5-58.1176.7000109M151 L152 V157 W175 D179 E190 F191 A194M151-L186 WeakPolarHBondContact CA-O 3.44Å; L152-L186 PolarHBondContact N-O 2.83Å; L152-L186 PolarHBondContact O-N 3.18Å; V157-L186 HydrophobicContact CG1-CD1 4.1Å; W175-L186 HydrophobicContact CE3-CD1 4.16Å; W175-L186 HydrophobicContact CE3-CG 4.47Å; W175-L186 HydrophobicContact CH2-CD1 4.02Å; W175-L186 HydrophobicContact CH2-CD2 4.12Å; W175-L186 HydrophobicContact CH2-CG 3.58Å; W175-L186 HydrophobicContact CZ2-CD2 4.33Å; W175-L186 HydrophobicContact CZ2-CG 4.26Å; W175-L186 HydrophobicContact CZ3-CD1 3.57Å; W175-L186 HydrophobicContact CZ3-CD2 4.3Å; W175-L186 HydrophobicContact CZ3-CG 3.7Å; D179-L186 HydrophobicContact CB-CD2 4.02Å; L186-E190 HydrophobicContact CB-CB 4.07Å; L186-E190 HydrophobicContact CD2-CB 4.01Å; L186-F191 HydrophobicContact CB-CB 4.39Å; L186-F191 HydrophobicContact CD1-CD2 4.42Å; L186-A194 HydrophobicContact CD1-CB 3.98Å
187D86.4Confident83.8Confident34 Ų3433.5 Ų33.518%0.18217%0.165CC..  trans-75.9178.5161.876.838.7000111.7M151 D189 E190 F191 K220M151-D187 HydrophobicContact CG-CB 4.49Å; D187-D189 VanDerWaalsContact C-N 3.35Å; D187-D189 PolarHBondContact O-N 3.13Å; D187-D189 WeakPolarHBondContact OD1-CA 3.47Å; D187-D189 WeakPolarHBondContact OD1-CB 3.46Å; D187-D189 PolarHBondContact OD1-N 3.02Å; D187-E190 PolarHBondContact N-OE2 3.5Å; D187-E190 VanDerWaalsContact N-OE2 3.09Å; D187-E190 PolarHBondContact O-N 3.06Å; D187-E190 PolarHBondContact OD1-N 3.36Å; D187-F191 WeakPolarHBondContact O-CB 3.41Å; D187-F191 PolarHBondContact O-N 2.75Å; D187-K220 WeakPolarHBondContact OD2-CE 3.24Å; D187-K220 IonicContact OD2-NZ 2.68Å; D187-K220 PolarHBondContact OD2-NZ 3.18Å
188R84.1Confident84Confident93 Ų9333.2 Ų33.235%0.35116%0.163SC..Hα-helixtrans-63.6-35.5-177.3-174.7178-179.8125.2-10.7113.7D139 F142 E143 S192D139-R188 VanDerWaalsContact CB-NH2 3.32Å; D139-R188 WeakPolarHBondContact OD1-CG 3.29Å; D139-R188 IonicContact OD1-CZ 3.73Å; D139-R188 IonicContact OD1-NE 3.8Å; D139-R188 PolarHBondContact OD1-NE 3.02Å; D139-R188 IonicContact OD1-NH2 3.87Å; D139-R188 IonicContact OD2-CZ 3.32Å; D139-R188 VanDerWaalsContact OD2-CZ 3.3Å; D139-R188 IonicContact OD2-NE 2.75Å; D139-R188 PolarHBondContact OD2-NE 2.94Å; D139-R188 IonicContact OD2-NH2 2.72Å; D139-R188 PolarHBondContact OD2-NH2 3.45Å; F142-R188 HydrophobicContact CD1-CB 4.17Å; F142-R188 HydrophobicContact CD1-CG 4.1Å; F142-R188 HydrophobicContact CE1-CB 3.9Å; F142-R188 HydrophobicContact CE1-CG 4.31Å; F142-R188 HydrophobicContact CE2-CB 4.27Å; F142-R188 HydrophobicContact CG-CB 4.47Å; F142-R188 HydrophobicContact CG-CG 4.34Å; F142-R188 HydrophobicContact CZ-CB 3.95Å; E143-R188 IonicContact OE2-NH1 3.34Å; E143-R188 PolarHBondContact OE2-NH1 2.75Å; R188-S192 PolarHBondContact O-N 2.89Å; R188-S192 PolarHBondContact O-OG 2.87Å
189D82.9Confident83.9Confident26 Ų2639 Ų3914%0.13919%0.186CC..Hα-helixtrans-76.1-34.7178.1-80.7-3.2000110.8K135 D187 S192 V193 P217K135-D189 IonicContact NZ-OD1 3.3Å; K135-D189 PolarHBondContact NZ-OD1 2.85Å; D187-D189 VanDerWaalsContact C-N 3.35Å; D187-D189 PolarHBondContact O-N 3.13Å; D187-D189 WeakPolarHBondContact OD1-CA 3.47Å; D187-D189 WeakPolarHBondContact OD1-CB 3.46Å; D187-D189 PolarHBondContact OD1-N 3.02Å; D189-S192 WeakPolarHBondContact O-CB 3.5Å; D189-S192 PolarHBondContact O-N 3.4Å; D189-V193 WeakPolarHBondContact O-CG2 3.4Å; D189-V193 PolarHBondContact O-N 3.27Å; D189-V193 VanDerWaalsContact O-N 3.13Å; D189-P217 HydrophobicContact CB-CB 3.72Å; D189-P217 HydrophobicContact CB-CG 3.8Å
190E88.1Confident83.6Confident0 Ų043 Ų430%020%0.2CC..Hα-helixtrans-74.1-38.9176-70175.8138.400113.1S178 L180 L186 D187 S192 V193 A194 K220S178-E190 WeakPolarHBondContact O-CB 3.47Å; S178-E190 VanDerWaalsContact O-CG 3.24Å; S178-E190 WeakPolarHBondContact O-CG 3.32Å; L180-E190 WeakPolarHBondContact CB-OE1 3.39Å; L180-E190 HydrophobicContact CD1-CG 4.37Å; L180-E190 PolarHBondContact N-OE1 2.9Å; L186-E190 HydrophobicContact CB-CB 4.07Å; L186-E190 HydrophobicContact CD2-CB 4.01Å; D187-E190 PolarHBondContact N-OE2 3.5Å; D187-E190 VanDerWaalsContact N-OE2 3.09Å; D187-E190 PolarHBondContact O-N 3.06Å; D187-E190 PolarHBondContact OD1-N 3.36Å; E190-S192 VanDerWaalsContact C-N 3.25Å; E190-S192 PolarHBondContact O-N 3.22Å; E190-V193 CarbonylContact O-C 3.58Å; E190-V193 WeakPolarHBondContact O-CA 3.49Å; E190-V193 WeakPolarHBondContact O-CB 3.49Å; E190-V193 PolarHBondContact O-N 2.93Å; E190-V193 VanDerWaalsContact O-N 3.09Å; E190-A194 PolarHBondContact O-N 2.93Å; E190-K220 WeakPolarHBondContact OE1-CE 3.47Å; E190-K220 IonicContact OE1-NZ 3.8Å; E190-K220 PolarHBondContact OE1-NZ 2.83Å; E190-K220 IonicContact OE2-NZ 2.78Å; E190-K220 PolarHBondContact OE2-NZ 3.37Å
191F86.6Confident83.6Confident0 Ų041.3 Ų41.30%019%0.194CC..Hα-helixtrans-62.1-36.5170.6-175.1-93.8000111.4F138 I141 F142 L145 L152 V157 L186 D187 V193 A194 M195F138-F191 WeakPolarHBondContact O-CE1 3.41Å; I141-F191 HydrophobicContact CB-CE1 4.17Å; I141-F191 HydrophobicContact CB-CZ 4.46Å; I141-F191 HydrophobicContact CG2-CE1 3.98Å; I141-F191 HydrophobicContact CG2-CZ 3.77Å; F142-F191 HydrophobicContact CB-CD1 3.84Å; F142-F191 HydrophobicContact CB-CE1 4.15Å; F142-F191 HydrophobicContact CB-CG 4.45Å; F142-F191 HydrophobicContact CD2-CB 3.58Å; F142-F191 AromaticContact CD2-CD1 3.94Å; F142-F191 HydrophobicContact CD2-CD1 3.94Å; F142-F191 HydrophobicContact CD2-CD2 4.33Å; F142-F191 AromaticContact CD2-CG 3.69Å; F142-F191 HydrophobicContact CD2-CG 3.69Å; F142-F191 HydrophobicContact CE2-CB 4.05Å; F142-F191 HydrophobicContact CG-CD1 4.4Å; L145-F191 HydrophobicContact CD1-CE2 3.92Å; L145-F191 HydrophobicContact CD1-CZ 3.82Å; L152-F191 HydrophobicContact CD1-CD2 4.04Å; L152-F191 HydrophobicContact CD1-CE2 4.19Å; V157-F191 HydrophobicContact CG1-CD2 4.17Å; V157-F191 HydrophobicContact CG1-CE2 3.98Å; V157-F191 HydrophobicContact CG2-CD2 4.17Å; V157-F191 HydrophobicContact CG2-CE2 4.23Å; L186-F191 HydrophobicContact CB-CB 4.39Å; L186-F191 HydrophobicContact CD1-CD2 4.42Å; D187-F191 WeakPolarHBondContact O-CB 3.41Å; D187-F191 PolarHBondContact O-N 2.75Å; F191-V193 VanDerWaalsContact C-N 3.32Å; F191-V193 PolarHBondContact O-N 3.24Å; F191-A194 PolarHBondContact O-N 3.26Å; F191-M195 HydrophobicContact CD1-CG 3.93Å; F191-M195 HydrophobicContact CE1-CG 3.48Å; F191-M195 VanDerWaalsContact CE1-CG 3.48Å; F191-M195 HydrophobicContact CE1-SD 4.13Å; F191-M195 HydrophobicContact CE2-CE 4.18Å; F191-M195 HydrophobicContact CE2-CG 4.44Å; F191-M195 HydrophobicContact CE2-SD 4.5Å; F191-M195 HydrophobicContact CZ-CE 4.11Å; F191-M195 HydrophobicContact CZ-CG 3.77Å; F191-M195 HydrophobicContact CZ-SD 3.83Å; F191-M195 WeakPolarHBondContact O-CG 3.47Å; F191-M195 PolarHBondContact O-N 3.01Å
192S84.4Confident83.6Confident0 Ų042.4 Ų42.40%020%0.199CC..Hα-helixtrans-61.9-38.6171.5-60.20000112.2R188 D189 E190 F196R188-S192 PolarHBondContact O-N 2.89Å; R188-S192 PolarHBondContact O-OG 2.87Å; D189-S192 WeakPolarHBondContact O-CB 3.5Å; D189-S192 PolarHBondContact O-N 3.4Å; E190-S192 VanDerWaalsContact C-N 3.25Å; E190-S192 PolarHBondContact O-N 3.22Å; S192-F196 VanDerWaalsContact O-CB 3.31Å; S192-F196 WeakPolarHBondContact O-CB 3.29Å; S192-F196 PolarHBondContact O-N 2.89Å
193V83.3Confident83.4Confident0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-67.9-40.7173.5171.50000111.4W128 D189 E190 F191 F196 L197 L211 L215 P217W128-V193 HydrophobicContact CZ2-CG2 4.42Å; D189-V193 WeakPolarHBondContact O-CG2 3.4Å; D189-V193 PolarHBondContact O-N 3.27Å; D189-V193 VanDerWaalsContact O-N 3.13Å; E190-V193 CarbonylContact O-C 3.58Å; E190-V193 WeakPolarHBondContact O-CA 3.49Å; E190-V193 WeakPolarHBondContact O-CB 3.49Å; E190-V193 PolarHBondContact O-N 2.93Å; E190-V193 VanDerWaalsContact O-N 3.09Å; F191-V193 VanDerWaalsContact C-N 3.32Å; F191-V193 PolarHBondContact O-N 3.24Å; V193-F196 PolarHBondContact O-N 2.95Å; V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.33Å; V193-L197 WeakPolarHBondContact O-CB 3.44Å; V193-L197 WeakPolarHBondContact O-CG 3.22Å; V193-L197 PolarHBondContact O-N 3.31Å; V193-L211 HydrophobicContact CG1-CD1 3.95Å; V193-L211 HydrophobicContact CG1-CD2 4.14Å; V193-L215 WeakPolarHBondContact CG2-O 3.43Å; V193-P217 HydrophobicContact CG2-CG 3.86Å
194A87.7Confident82.5Confident1 Ų138.7 Ų38.71%0.00821%0.205CC..Hα-helixtrans-62-48.1177.400000112V174 S178 L186 E190 F191 L197 V198V174-A194 HydrophobicContact CG1-CB 3.97Å; V174-A194 WeakPolarHBondContact CG1-O 3.41Å; S178-A194 VanDerWaalsContact OG-CA 3.22Å; S178-A194 WeakPolarHBondContact OG-CA 3.17Å; S178-A194 WeakPolarHBondContact OG-CB 3.38Å; S178-A194 PolarHBondContact OG-N 3Å; L186-A194 HydrophobicContact CD1-CB 3.98Å; E190-A194 PolarHBondContact O-N 2.93Å; F191-A194 PolarHBondContact O-N 3.26Å; A194-L197 PolarHBondContact O-N 2.69Å; A194-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 2.89Å
195M87.3Confident81.9Confident19 Ų1941.3 Ų41.39%0.09421%0.208CC..Hα-helixtrans-65-38.2177-66.8-63.896.100112.2F138 L161 F191 V198 Y199F138-M195 HydrophobicContact CB-CB 4.26Å; F138-M195 HydrophobicContact CB-CG 4.34Å; F138-M195 HydrophobicContact CD1-CB 3.45Å; F138-M195 VanDerWaalsContact CD1-CB 3.45Å; F138-M195 HydrophobicContact CD1-CG 4.01Å; F138-M195 HydrophobicContact CD2-CB 4.04Å; F138-M195 HydrophobicContact CE1-CB 3.69Å; F138-M195 HydrophobicContact CE2-CB 4.23Å; F138-M195 HydrophobicContact CG-CB 3.65Å; F138-M195 HydrophobicContact CG-CG 4.22Å; F138-M195 HydrophobicContact CZ-CB 4.07Å; L161-M195 HydrophobicContact CD2-CE 3.59Å; L161-M195 HydrophobicContact CG-CE 4.44Å; F191-M195 HydrophobicContact CD1-CG 3.93Å; F191-M195 HydrophobicContact CE1-CG 3.48Å; F191-M195 VanDerWaalsContact CE1-CG 3.48Å; F191-M195 HydrophobicContact CE1-SD 4.13Å; F191-M195 HydrophobicContact CE2-CE 4.18Å; F191-M195 HydrophobicContact CE2-CG 4.44Å; F191-M195 HydrophobicContact CE2-SD 4.5Å; F191-M195 HydrophobicContact CZ-CE 4.11Å; F191-M195 HydrophobicContact CZ-CG 3.77Å; F191-M195 HydrophobicContact CZ-SD 3.83Å; F191-M195 WeakPolarHBondContact O-CG 3.47Å; F191-M195 PolarHBondContact O-N 3.01Å; M195-V198 PolarHBondContact O-N 3.04Å; M195-Y199 WeakPolarHBondContact O-CB 3.37Å; M195-Y199 PolarHBondContact O-N 3.05Å
196F82.5Confident80.4Confident16 Ų1643.7 Ų43.77%0.0723%0.23CC..Hα-helixtrans-65.7-40.7174.9-173.4-88.4000112.8V129 V130 F138 S192 V193 Y199 R200 L215V129-F196 HydrophobicContact CG1-CE1 3.89Å; V129-F196 HydrophobicContact CG1-CE2 4.28Å; V129-F196 HydrophobicContact CG1-CZ 3.53Å; V130-F196 HydrophobicContact CB-CD2 4.34Å; V130-F196 HydrophobicContact CG1-CD2 4.49Å; V130-F196 HydrophobicContact CG2-CB 3.8Å; V130-F196 HydrophobicContact CG2-CD2 3.81Å; V130-F196 HydrophobicContact CG2-CG 3.8Å; F138-F196 HydrophobicContact CE2-CB 4.23Å; S192-F196 VanDerWaalsContact O-CB 3.31Å; S192-F196 WeakPolarHBondContact O-CB 3.29Å; S192-F196 PolarHBondContact O-N 2.89Å; V193-F196 PolarHBondContact O-N 2.95Å; F196-Y199 PolarHBondContact O-N 2.96Å; F196-R200 HydrophobicContact CD1-CG 4.44Å; F196-R200 VanDerWaalsContact CE1-CD 3.44Å; F196-R200 HydrophobicContact CE1-CG 3.92Å; F196-R200 HydrophobicContact CZ-CG 4.12Å; F196-R200 PolarHBondContact O-N 2.83Å; F196-R200 VanDerWaalsContact O-N 3.08Å; F196-L215 HydrophobicContact CD1-CD1 4.39Å; F196-L215 HydrophobicContact CD1-CD2 3.49Å; F196-L215 VanDerWaalsContact CD1-CD2 3.49Å; F196-L215 HydrophobicContact CE1-CD1 4.26Å; F196-L215 HydrophobicContact CE1-CD2 3.6Å; F196-L215 HydrophobicContact CG-CD2 4.26Å; F196-L215 HydrophobicContact CZ-CD2 4.43Å
197L83.3Confident79.8Confident6 Ų645 Ų453%0.03124%0.238CC..Hα-helixtrans-68.6-36.9176.2-73.4172.6000112.3V174 L177 V193 A194 A201 P208 L211 L215V174-L197 HydrophobicContact CG1-CB 4.08Å; V174-L197 HydrophobicContact CG2-CB 4.15Å; L177-L197 HydrophobicContact CB-CD1 3.93Å; L177-L197 HydrophobicContact CD1-CD1 4.29Å; V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.33Å; V193-L197 WeakPolarHBondContact O-CB 3.44Å; V193-L197 WeakPolarHBondContact O-CG 3.22Å; V193-L197 PolarHBondContact O-N 3.31Å; A194-L197 PolarHBondContact O-N 2.69Å; L197-A201 WeakPolarHBondContact O-CB 3.39Å; L197-A201 PolarHBondContact O-N 2.91Å; L197-A201 VanDerWaalsContact O-N 3.1Å; L197-P208 HydrophobicContact CD2-CG 4.25Å; L197-L211 HydrophobicContact CD1-CD2 4.18Å; L197-L211 HydrophobicContact CD2-CD2 4.41Å; L197-L215 HydrophobicContact CD2-CD1 4.38Å
198V85.6Confident78.8Confident10 Ų1045.6 Ų45.66%0.06124%0.243CC..Hα-helixtrans-61-47.5169.3162.70000110.9L161 S164 L166 L171 V174 A194 M195 R200 A201 L202L161-V198 HydrophobicContact CD2-CG2 3.51Å; S164-V198 VanDerWaalsContact CB-CG1 3.45Å; L166-V198 HydrophobicContact CD1-CB 4.31Å; L166-V198 HydrophobicContact CD1-CG1 4.04Å; L166-V198 HydrophobicContact CD1-CG2 4.24Å; L171-V198 HydrophobicContact CD2-CG2 4.08Å; V174-V198 HydrophobicContact CG1-CG2 4.22Å; V174-V198 HydrophobicContact CG2-CG2 4.16Å; A194-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 2.89Å; M195-V198 PolarHBondContact O-N 3.04Å; V198-R200 PolarHBondContact O-N 2.87Å; V198-A201 PolarHBondContact O-N 2.84Å; V198-L202 HydrophobicContact CG1-CD1 4.02Å; V198-L202 PolarHBondContact O-N 3.33Å
199Y81.6Confident77.3Confident122 Ų12248.2 Ų48.248%0.47826%0.261SS..Hα-helixtrans-61.3-45.1-176.8-173.4-98.3000111.8M195 F196 A201 L202 E203M195-Y199 WeakPolarHBondContact O-CB 3.37Å; M195-Y199 PolarHBondContact O-N 3.05Å; F196-Y199 PolarHBondContact O-N 2.96Å; Y199-A201 PolarHBondContact O-N 3.44Å; Y199-L202 WeakPolarHBondContact O-CB 3.45Å; Y199-L202 PolarHBondContact O-N 3.09Å; Y199-E203 HydrophobicContact CD1-CG 4.42Å; Y199-E203 HydrophobicContact CE1-CG 4Å; Y199-E203 WeakPolarHBondContact CE1-OE1 3.44Å; Y199-E203 WeakPolarHBondContact CE1-OE2 3.46Å; Y199-E203 PolarHBondContact O-N 2.9Å; Y199-E203 PolarHBondContact OH-OE1 2.81Å
200R79.3Confident75.7Confident98 Ų9851.1 Ų51.137%0.3728%0.284SS..Hα-helixtrans-69.4-30.5175.4-64.8-159.877.5-175.814.7114.2F196 V198 L202 E203 G204 E205F196-R200 HydrophobicContact CD1-CG 4.44Å; F196-R200 VanDerWaalsContact CE1-CD 3.44Å; F196-R200 HydrophobicContact CE1-CG 3.92Å; F196-R200 HydrophobicContact CZ-CG 4.12Å; F196-R200 PolarHBondContact O-N 2.83Å; F196-R200 VanDerWaalsContact O-N 3.08Å; V198-R200 PolarHBondContact O-N 2.87Å; R200-L202 VanDerWaalsContact C-N 3.31Å; R200-E203 PolarHBondContact O-N 3.45Å; R200-G204 PolarHBondContact O-N 3.19Å; R200-E205 IonicContact CZ-OE1 3.88Å; R200-E205 IonicContact CZ-OE2 3.05Å; R200-E205 IonicContact NE-OE2 2.57Å; R200-E205 PolarHBondContact NE-OE2 3.42Å; R200-E205 IonicContact NH2-OE1 2.65Å; R200-E205 PolarHBondContact NH2-OE1 3.06Å; R200-E205 IonicContact NH2-OE2 2.67Å; R200-E205 PolarHBondContact NH2-OE2 3.13Å; R200-E205 PolarHBondContact O-N 3.39Å
201A80.4Confident74.4Confident17 Ų1752.4 Ų52.414%0.1429%0.29CS..Hα-helixtrans-69.1-30.7172.300000112.2L166 I170 L197 V198 Y199 G204 I207L166-A201 HydrophobicContact CD1-CB 3.65Å; L166-A201 HydrophobicContact CD2-CB 4.11Å; I170-A201 HydrophobicContact CG2-CB 4.36Å; L197-A201 WeakPolarHBondContact O-CB 3.39Å; L197-A201 PolarHBondContact O-N 2.91Å; L197-A201 VanDerWaalsContact O-N 3.1Å; V198-A201 PolarHBondContact O-N 2.84Å; Y199-A201 PolarHBondContact O-N 3.44Å; A201-G204 PolarHBondContact O-N 2.57Å; A201-I207 HydrophobicContact CB-CD1 4.03Å; A201-I207 HydrophobicContact CB-CG1 3.86Å
202L79Confident73.1Confident100 Ų10054.8 Ų54.852%0.52431%0.305SS..Hα-helixtrans-72.2-35.5170.5-81.3172.1000112.8S164 L166 V198 Y199 R200 G204S164-L202 WeakPolarHBondContact O-CD2 3.48Å; L166-L202 HydrophobicContact CD1-CG 4.42Å; L166-L202 HydrophobicContact CD2-CD2 4.12Å; L166-L202 HydrophobicContact CD2-CG 4.28Å; L166-L202 HydrophobicContact CG-CD2 4.33Å; L166-L202 HydrophobicContact CG-CG 4.32Å; V198-L202 HydrophobicContact CG1-CD1 4.02Å; V198-L202 PolarHBondContact O-N 3.33Å; Y199-L202 WeakPolarHBondContact O-CB 3.45Å; Y199-L202 PolarHBondContact O-N 3.09Å; R200-L202 VanDerWaalsContact C-N 3.31Å; L202-G204 PolarHBondContact O-N 3.43Å; L202-G204 VanDerWaalsContact O-N 3.1Å
203E76.1Confident71.5Confident105 Ų10559.9 Ų59.949%0.49134%0.339SS..THydrogen-bonded Turntrans-70.56.3170.6-67.4-178.513900113.3Y199 R200 E205Y199-E203 HydrophobicContact CD1-CG 4.42Å; Y199-E203 HydrophobicContact CE1-CG 4Å; Y199-E203 WeakPolarHBondContact CE1-OE1 3.44Å; Y199-E203 WeakPolarHBondContact CE1-OE2 3.46Å; Y199-E203 PolarHBondContact O-N 2.9Å; Y199-E203 PolarHBondContact OH-OE1 2.81Å; R200-E203 PolarHBondContact O-N 3.45Å; E203-E205 PolarHBondContact O-N 2.92Å
204G61.3Low70.3Confident67 Ų6762 Ų6269%0.69135%0.353SS*.THydrogen-bonded Turntrans82.55174.900000115R200 A201 L202R200-G204 PolarHBondContact O-N 3.19Å; A201-G204 PolarHBondContact O-N 2.57Å; L202-G204 PolarHBondContact O-N 3.43Å; L202-G204 VanDerWaalsContact O-N 3.1Å
205E68.4Low68.9Low90 Ų9062.5 Ų62.542%0.42136%0.355SS..PPolyproline II helixtrans-86.1124.6178.4-71.7-176.994.500111.6R200 E203 I207R200-E205 IonicContact CZ-OE1 3.88Å; R200-E205 IonicContact CZ-OE2 3.05Å; R200-E205 IonicContact NE-OE2 2.57Å; R200-E205 PolarHBondContact NE-OE2 3.42Å; R200-E205 IonicContact NH2-OE1 2.65Å; R200-E205 PolarHBondContact NH2-OE1 3.06Å; R200-E205 IonicContact NH2-OE2 2.67Å; R200-E205 PolarHBondContact NH2-OE2 3.13Å; R200-E205 PolarHBondContact O-N 3.39Å; E203-E205 PolarHBondContact O-N 2.92Å; E205-I207 PolarHBondContact O-N 3.25Å
206S54.8Low68Low113 Ų11363 Ų6379%0.7936%0.359SS*.PPolyproline II helixtrans-55126.1179.658.40000112.4
207I71.8Confident67.1Low29 Ų2962.2 Ų62.215%0.14936%0.356CS..PPolyproline II helixtrans-55.1129.8177.5-66.1-170.4000110.2I170 R173 V174 L177 A201 E205 M209I170-I207 HydrophobicContact CG2-CD1 3.47Å; I170-I207 VanDerWaalsContact CG2-CD1 3.47Å; I170-I207 HydrophobicContact CG2-CG1 4.31Å; R173-I207 HydrophobicContact CG-CG2 4.29Å; V174-I207 HydrophobicContact CG2-CD1 3.44Å; V174-I207 VanDerWaalsContact CG2-CD1 3.44Å; L177-I207 HydrophobicContact CD1-CG2 3.43Å; L177-I207 VanDerWaalsContact CD1-CG2 3.43Å; A201-I207 HydrophobicContact CB-CD1 4.03Å; A201-I207 HydrophobicContact CB-CG1 3.86Å; E205-I207 PolarHBondContact O-N 3.25Å; I207-M209 PolarHBondContact O-N 2.67Å
208P65.8Low65.9Low46 Ų4665.4 Ų65.430%0.29938%0.377SS..PPolyproline II helixtrans-64.6133-179.427.3-35.2000110.7L177 L197 S210L177-P208 WeakPolarHBondContact CD1-O 3.42Å; L197-P208 HydrophobicContact CD2-CG 4.25Å; P208-S210 PolarHBondContact O-N 3.4Å
209M52.7Low64.5Low147 Ų14769.9 Ų69.972%0.72441%0.407SS*.SBendtrans-59.4-18.8-176.8-73.3-66.2-76.800114.5R173 I207R173-M209 PolarHBondContact NH2-O 3.15Å; I207-M209 PolarHBondContact O-N 2.67Å
210S49.4Very low63.5Low88 Ų8866 Ų6662%0.61539%0.393SS*.SBendtrans-147.2142.4169.560.80000109.1P208P208-S210 PolarHBondContact O-N 3.4Å
211L61.5Low62.9Low27 Ų2766.3 Ų66.314%0.14139%0.394CS..  trans-57.3124.2178.5-100.1178.7000111.9L177 L180 V193 L197 L215L177-L211 HydrophobicContact CB-CD1 4.47Å; L177-L211 HydrophobicContact CB-CG 4.19Å; L177-L211 HydrophobicContact CD2-CG 4.33Å; L177-L211 WeakPolarHBondContact O-CD1 3.24Å; L180-L211 HydrophobicContact CD2-CD1 3.8Å; V193-L211 HydrophobicContact CG1-CD1 3.95Å; V193-L211 HydrophobicContact CG1-CD2 4.14Å; L197-L211 HydrophobicContact CD1-CD2 4.18Å; L197-L211 HydrophobicContact CD2-CD2 4.41Å; L211-L215 HydrophobicContact CD2-CB 3.62Å; L211-L215 HydrophobicContact CD2-CD1 3.89Å; L211-L215 HydrophobicContact CD2-CG 4.38Å
212P58.3Low61.1Low49 Ų4974 Ų7432%0.31842%0.424SS..  trans-72.9147175.331.1-35.2000110.6P214 L215P212-P214 WeakPolarHBondContact O-CD 3.37Å; P212-P214 VanDerWaalsContact O-N 3.1Å; P212-L215 HydrophobicContact CG-CB 4.48Å; P212-L215 HydrophobicContact CG-CD1 3.92Å; P212-L215 HydrophobicContact CG-CG 4.45Å; P212-L215 PolarHBondContact O-N 2.9Å
213P51.3Low58.8Low107 Ų10778.8 Ų78.870%0.69544%0.441SS*.G310 helixtrans-50-35.6-173.4-30.636000118.5L215 V216P213-L215 VanDerWaalsContact C-N 3.31Å; P213-L215 PolarHBondContact O-N 3.04Å; P213-V216 PolarHBondContact O-N 2.91Å
214P58.8Low56.7Low46 Ų4680.1 Ų80.130%0.29946%0.458SS..G310 helixtrans-79.2-8.3-179.134-38.2000114.4A126 V129 P212A126-P214 HydrophobicContact CB-CB 4.39Å; V129-P214 HydrophobicContact CG2-CB 3.87Å; V129-P214 HydrophobicContact CG2-CG 4.08Å; V129-P214 PolarHBondContact N-O 3.33Å; P212-P214 WeakPolarHBondContact O-CD 3.37Å; P212-P214 VanDerWaalsContact O-N 3.1Å
215L59Low55.1Low10 Ų1081.8 Ų81.85%0.05247%0.466CS..G310 helixtrans-84.7-20168-84.6170.7000113W128 V129 V130 V193 F196 L197 L211 P212 P213 P217W128-L215 PolarHBondContact NE1-O 2.82Å; W128-L215 VanDerWaalsContact NE1-O 3.09Å; V129-L215 HydrophobicContact CB-CD2 3.74Å; V129-L215 HydrophobicContact CB-CG 4.1Å; V129-L215 HydrophobicContact CG1-CD2 3.88Å; V129-L215 HydrophobicContact CG1-CG 4.3Å; V130-L215 HydrophobicContact CG2-CD2 4.43Å; V193-L215 WeakPolarHBondContact CG2-O 3.43Å; F196-L215 HydrophobicContact CD1-CD1 4.39Å; F196-L215 HydrophobicContact CD1-CD2 3.49Å; F196-L215 VanDerWaalsContact CD1-CD2 3.49Å; F196-L215 HydrophobicContact CE1-CD1 4.26Å; F196-L215 HydrophobicContact CE1-CD2 3.6Å; F196-L215 HydrophobicContact CG-CD2 4.26Å; F196-L215 HydrophobicContact CZ-CD2 4.43Å; L197-L215 HydrophobicContact CD2-CD1 4.38Å; L211-L215 HydrophobicContact CD2-CB 3.62Å; L211-L215 HydrophobicContact CD2-CD1 3.89Å; L211-L215 HydrophobicContact CD2-CG 4.38Å; P212-L215 HydrophobicContact CG-CB 4.48Å; P212-L215 HydrophobicContact CG-CD1 3.92Å; P212-L215 HydrophobicContact CG-CG 4.45Å; P212-L215 PolarHBondContact O-N 2.9Å; P213-L215 VanDerWaalsContact C-N 3.31Å; P213-L215 PolarHBondContact O-N 3.04Å; L215-P217 WeakPolarHBondContact O-CD 3.48Å
216V66.6Low53.1Low29 Ų2982.6 Ų82.618%0.17649%0.488CS..SBendtrans-67121.2177.6-178.20000109.8L180 P213 R221L180-V216 HydrophobicContact CD1-CG1 4.33Å; P213-V216 PolarHBondContact O-N 2.91Å; V216-R221 HydrophobicContact CG1-CG 4.24Å; V216-R221 PolarHBondContact O-NE 3.38Å
217P64.4Low52.1Low1 Ų181.9 Ų81.91%0.00649%0.489CS..  trans-55.8143.5-178.7-27.235.7000112.2L180 D189 V193 L215 C219 K220L180-P217 HydrophobicContact CD1-CG 4.35Å; D189-P217 HydrophobicContact CB-CB 3.72Å; D189-P217 HydrophobicContact CB-CG 3.8Å; V193-P217 HydrophobicContact CG2-CG 3.86Å; L215-P217 WeakPolarHBondContact O-CD 3.48Å; P217-C219 PolarHBondContact O-N 3.02Å; P217-K220 PolarHBondContact O-N 3Å; P217-K220 VanDerWaalsContact O-N 3.11Å
218P57.8Low50.4Low72 Ų7285.3 Ų85.347%0.46851%0.513SS..G310 helixtrans-48.8-36.4-178.8-28.535.4000114K220P218-K220 PolarHBondContact O-N 3.48Å
219C55.4Low48.7Very low105 Ų10588.7 Ų88.771%0.70953%0.533SS*.G310 helixtrans-64.5-34.1-177-60.20000114.6P217P217-C219 PolarHBondContact O-N 3.02Å
220K62.3Low47.5Very low39 Ų3988.1 Ų88.117%0.1753%0.53CS..G310 helixtrans-100.17.4-174-58.4-161.1-177.1-165.80114.4L180 D181 D187 E190 P217 P218 K222L180-K220 HydrophobicContact CB-CD 3.99Å; L180-K220 HydrophobicContact CD1-CB 4.48Å; L180-K220 HydrophobicContact CD1-CD 4.32Å; D181-K220 IonicContact OD1-NZ 2.75Å; D181-K220 PolarHBondContact OD1-NZ 2.76Å; D181-K220 WeakPolarHBondContact OD2-CE 3.46Å; D181-K220 IonicContact OD2-NZ 3.4Å; D181-K220 PolarHBondContact OD2-NZ 3.11Å; D187-K220 WeakPolarHBondContact OD2-CE 3.24Å; D187-K220 IonicContact OD2-NZ 2.68Å; D187-K220 PolarHBondContact OD2-NZ 3.18Å; E190-K220 WeakPolarHBondContact OE1-CE 3.47Å; E190-K220 IonicContact OE1-NZ 3.8Å; E190-K220 PolarHBondContact OE1-NZ 2.83Å; E190-K220 IonicContact OE2-NZ 2.78Å; E190-K220 PolarHBondContact OE2-NZ 3.37Å; P217-K220 PolarHBondContact O-N 3Å; P217-K220 VanDerWaalsContact O-N 3.11Å; P218-K220 PolarHBondContact O-N 3.48Å; K220-K222 PolarHBondContact O-N 2.96Å
221R65.9Low46.9Very low105 Ų10586.5 Ų86.540%0.39652%0.517SS..  trans-71.486.2-178.6-62.9178.1-175.3164.8-2.2113.9V216V216-R221 HydrophobicContact CG1-CG 4.24Å; V216-R221 PolarHBondContact O-NE 3.38Å
222K41.8Very low45.1Very low178 Ų17891.5 Ų91.577%0.77454%0.543SS*.PPolyproline II helixtrans-68.5134.7179.8-71.6166.2-177.91590113.4K220K220-K222 PolarHBondContact O-N 2.96Å
223K31Very low43.9Very low202 Ų20295.7 Ų95.788%0.87856%0.562SS**PPolyproline II helixtrans-75.3136.2175.1-77.5174.5176.3169.20111.8
224P33.6Very low43Very low132 Ų13296.6 Ų96.686%0.85757%0.568SS**PPolyproline II helixtrans-84.3134.717932.2-34000113.3
225A26.2Very low41.4Very low103 Ų10398.9 Ų98.985%0.85159%0.586SS**  trans-114.2148.4164.500000109.8
226A27.3Very low40.9Very low106 Ų106103.8 Ų103.888%0.87662%0.618SS**  trans-92.8150.3-161.400000115.3
227A33.8Very low39.5Very low99 Ų99107.6 Ų107.682%0.81864%0.643SS**  trans-112.3152.8165.700000110.9
228P35.3Very low37.9Very low100 Ų100112.4 Ų112.465%0.64968%0.677SS**  trans-138.9133.6166.335.7-19.2000116.1R1006P228-R1006 PolarHBondContact O-NH2 3.45Å
229V29.4Very low36.7Very low117 Ų117115.3 Ų115.371%0.70969%0.693SS**  trans93.9131132.4-57.60000118.9R1006V229-R1006 PolarHBondContact O-NE 3.2Å; V229-R1006 PolarHBondContact O-NH2 2.83Å
230M29.2Very low35.6Very low135 Ų135118 Ų11867%0.66569%0.693SS**  trans-75.4-152153.9-65.3-178.5-173.900109.5R1006 T1007M230-R1006 WeakPolarHBondContact O-CD 3.46Å; M230-R1006 WeakPolarHBondContact O-CG 3.45Å; M230-R1006 PolarHBondContact O-NE 3.43Å; M230-T1007 CarbonylContact C-O 3.37Å; M230-T1007 WeakPolarHBondContact CA-O 3.3Å; M230-T1007 WeakPolarHBondContact CB-O 3.39Å; M230-T1007 WeakPolarHBondContact O-CA 3.46Å
231P35.6Very low34Very low55 Ų55121.7 Ų121.736%0.35771%0.714SS.*  cis-105.2-148.237.83.6-2.6000121.3R1006 T1007 E1008P231-R1006 VanDerWaalsContact CG-C 3.4Å; P231-R1006 CarbonylContact O-C 3.6Å; P231-R1006 VanDerWaalsContact O-C 3.27Å; P231-R1006 WeakPolarHBondContact O-CA 3.33Å; P231-R1006 PolarHBondContact O-N 3.01Å; P231-T1007 WeakPolarHBondContact CA-O 3.48Å; P231-T1007 HydrophobicContact CB-CG2 4.44Å; P231-T1007 HydrophobicContact CG-CG2 3.07Å; P231-T1007 PolarHBondContact O-N 2.81Å; P231-E1008 VanDerWaalsContact CA-N 3.32Å
232L24.2Very low32.3Very low131 Ų131120.2 Ų120.269%0.68672%0.72SS**  trans-125.5162.2-163.5168.769.2000114.5
233L33.5Very low31.8Very low137 Ų137122.7 Ų122.772%0.71773%0.725SS**  trans-0.8160.8162.3-79.7174.2000123.2
234P31.9Very low31.8Very low126 Ų126117.8 Ų117.882%0.81872%0.716SS**  cis-149.8-179.148.342.9-20.5000120.7
235S25.2Very low31.6Very low95 Ų95117 Ų11766%0.66471%0.713SS**  trans-99.2-164.2-177.3-35.20000112.8
236P47.8Very low31.9Very low113 Ų113120.5 Ų120.573%0.73471%0.712SS**  cis-128.6-128.1-8.635.9-11.3000110.3
237P39Very low32.7Very low109 Ų109122 Ų12271%0.70871%0.712SS**  cis-136.6175.3-31.936-16.4000117.5
238S30.3Very low32.5Very low102 Ų102120.7 Ų120.771%0.71371%0.708SS**  112.8148.9129.7-139.90000123.1
239V33.1Very low32.3Very low132 Ų132120.5 Ų120.580%0.871%0.71SS**  trans68.1143.4169.1-53.50000122.1
240K31.2Very low32.5Very low163 Ų163123.8 Ų123.871%0.70972%0.715SS**  cis-172.9160.3-31.1-158.9177170.8-71.80111.6
241D28.7Very low32.5Very low115 Ų115123.5 Ų123.562%0.61572%0.72SS**  trans74.9149.5155.8-78.4-39.7000120.4
242S29.7Very low32.6Very low75 Ų75128.9 Ų128.952%0.52475%0.745SS.*  cis-169.7146.4-15.6-1210000113.4
243R31.9Very low33.1Very low230 Ų230128.3 Ų128.387%0.86875%0.75SS**  trans71.7155.7144.8-67.4168.9-159.6-142.4-1120.6
244S30.9Very low32.9Very low99 Ų99130.7 Ų130.769%0.69276%0.757SS**  cis-171.5157.5-14.5178.10000112.1
245S29.8Very low33.9Very low114 Ų114130.3 Ų130.380%0.79775%0.754SS**  trans-152.1164.8163.464.50000112.6
246H32.4Very low34.7Very low178 Ų178132 Ų13282%0.82476%0.763SS**  trans-138.5149.7-172.7-71.1-68.4000113.8
247P43.7Very low34Very low136 Ų136136.2 Ų136.288%0.88377%0.77SS**  trans-126.7166.4176.841.9-30.8000117.3
248G30.4Very low33.7Very low72 Ų72137 Ų13774%0.74278%0.775SS**  trans147.5151.3168.900000112.4
249S30.9Very low33.8Very low97 Ų97136.4 Ų136.468%0.67878%0.776SS**  cis-167.31446-103.90000112.5
250K32.6Very low33.8Very low186 Ų186136.4 Ų136.481%0.80978%0.779SS**  trans64.5159.6142.1-59.5170.4-170.8178.80119.8
251T30.2Very low33.7Very low128 Ų128133 Ų13379%0.78578%0.78SS**  cis-168.1160.1-23.429.70000109.4
252L36.4Very low34.4Very low168 Ų168133.2 Ų133.288%0.8879%0.788SS**  trans-126.8158.3166.7-74171.9000110.6
253P36.5Very low34.2Very low120 Ų120134 Ų13478%0.77980%0.799SS**  -157.2141.198.737.9-17.3000119.7
254H27.3Very low34.5Very low187 Ų187129.1 Ų129.187%0.86680%0.797SS**  trans57.2133.7144.6-88.3-123.9000125
255P54.8Low34.5Very low117 Ų117130.1 Ų130.176%0.7680%0.799SS**  trans-119.4169.2179.443.6-34.5000117.2
256P41.3Very low34.8Very low131 Ų131130.8 Ų130.885%0.85180%0.801SS**  trans-124.8-178.2170.640.9-27.9000116.6
257K32.3Very low35.3Very low202 Ų202127 Ų12788%0.87880%0.801SS**  trans-84171.8169.8-97.5-180178.9176.60112.1
258P33.1Very low35Very low125 Ų125124.6 Ų124.681%0.81279%0.792SS**  cis-139.7-167.225.843.8-24.1000116.7
259A32.3Very low35.7Very low89 Ų89123.5 Ų123.574%0.73678%0.776SS**  trans-104.1159.4170.400000112
260P33.6Very low37Very low133 Ų133123.5 Ų123.586%0.86477%0.774SS**  -146.8-177.4101.239.5-22.9000115.6
261A28Very low38.7Very low90 Ų90116.5 Ų116.574%0.74474%0.742SS**  trans-102.9-166.3-179.800000111.5
262P43.8Very low40.5Very low121 Ų121112.6 Ų112.679%0.78672%0.718SS**  cis-143.2-173.51.244.4-25000118.1
263A26.7Very low42.3Very low91 Ų91104.9 Ų104.975%0.75268%0.678SS**  trans77.5158.215600000119.6
264P38.1Very low44.3Very low127 Ų127101.8 Ų101.883%0.82566%0.659SS**  cis-117.5-168.5-2.441.9-28.3000114.9
265T30.6Very low46.5Very low120 Ų12097 Ų9774%0.73665%0.652SS**  trans-84.7169.8-170.8490000115.3
266P35.7Very low47.3Very low129 Ų12994.7 Ų94.784%0.83864%0.643SS**  -114.6157.399.934.7-36.4000113.1
267A42.5Very low49Very low98 Ų9891.2 Ų91.281%0.8162%0.615SS**PPolyproline II helixtrans-85.7117.9-168.200000113.5
268A38.1Very low51.2Low85 Ų8583.7 Ų83.770%0.70258%0.582SS**PPolyproline II helixtrans-85.9144147.100000108.7
269A45.1Very low53.5Low49 Ų4980.6 Ų80.641%0.40557%0.568SS.*PPolyproline II helixtrans-63.4121.9179.600000110.3W271 E359 R366A269-W271 PolarHBondContact O-N 3.04Å; A269-E359 HydrophobicContact CB-CG 4.02Å; A269-R366 PolarHBondContact O-NH1 3.04Å
270P57Low55.8Low97 Ų9783 Ų8363%0.6356%0.562SS**PPolyproline II helixtrans-62.4129.9-171.326.2-35.1000111V272 E359P270-V272 PolarHBondContact O-N 3.43Å; P270-E359 WeakPolarHBondContact CD-OE1 3.41Å; P270-E359 VanDerWaalsContact O-CG 3.26Å; P270-E359 WeakPolarHBondContact O-CG 3.49Å
271W69.6Low58.3Low40 Ų4077.9 Ų77.915%0.15253%0.525CS..PPolyproline II helixtrans-61.1137.1174.6-173.649.4000110.2A269 V273 K278 E333 A336 L337 M360 P362A269-W271 PolarHBondContact O-N 3.04Å; W271-V273 HydrophobicContact CD2-CB 4.18Å; W271-V273 HydrophobicContact CD2-CG2 4.28Å; W271-V273 HydrophobicContact CE3-CB 3.88Å; W271-V273 HydrophobicContact CE3-CG2 4.37Å; W271-V273 HydrophobicContact CH2-CB 4Å; W271-V273 HydrophobicContact CH2-CG2 3.91Å; W271-V273 HydrophobicContact CZ2-CB 4.27Å; W271-V273 HydrophobicContact CZ2-CG2 3.77Å; W271-V273 HydrophobicContact CZ3-CB 3.78Å; W271-V273 HydrophobicContact CZ3-CG1 4.38Å; W271-V273 HydrophobicContact CZ3-CG2 4.2Å; W271-V273 PolarHBondContact O-N 3.18Å; W271-K278 HydrophobicContact CZ3-CD 4Å; W271-K278 HydrophobicContact CZ3-CG 4.09Å; W271-E333 HydrophobicContact CH2-CB 4.35Å; W271-E333 WeakPolarHBondContact CZ2-O 3.46Å; W271-A336 HydrophobicContact CH2-CB 4.17Å; W271-L337 HydrophobicContact CZ2-CB 4.24Å; W271-M360 PolarHBondContact NE1-O 3.43Å; W271-P362 HydrophobicContact CZ2-CG 4.46Å
272V68.2Low60.9Low45 Ų4574.7 Ų74.727%0.27350%0.495SS..SBendtrans-70.5-19.4-163.4-1760000113.1P270 Y340 E359 M360P270-V272 PolarHBondContact O-N 3.43Å; V272-Y340 HydrophobicContact CG1-CE1 3.66Å; V272-Y340 WeakPolarHBondContact O-CE2 3.28Å; V272-Y340 PolarHBondContact O-OH 3.34Å; V272-E359 HydrophobicContact CG2-CG 4.05Å; V272-M360 HydrophobicContact CB-CG 4.39Å; V272-M360 HydrophobicContact CG2-CG 3.75Å
273V74.2Confident62.8Low6 Ų676 Ų764%0.03649%0.491CS..SBendtrans-82.4115.8169.7-168.80000109.2W271 E277 K278 Y281 L337 Y340W271-V273 HydrophobicContact CD2-CB 4.18Å; W271-V273 HydrophobicContact CD2-CG2 4.28Å; W271-V273 HydrophobicContact CE3-CB 3.88Å; W271-V273 HydrophobicContact CE3-CG2 4.37Å; W271-V273 HydrophobicContact CH2-CB 4Å; W271-V273 HydrophobicContact CH2-CG2 3.91Å; W271-V273 HydrophobicContact CZ2-CB 4.27Å; W271-V273 HydrophobicContact CZ2-CG2 3.77Å; W271-V273 HydrophobicContact CZ3-CB 3.78Å; W271-V273 HydrophobicContact CZ3-CG1 4.38Å; W271-V273 HydrophobicContact CZ3-CG2 4.2Å; W271-V273 PolarHBondContact O-N 3.18Å; V273-E277 HydrophobicContact CG1-CB 4.07Å; V273-K278 HydrophobicContact CG1-CB 4.15Å; V273-Y281 HydrophobicContact CG1-CD2 4.1Å; V273-Y281 HydrophobicContact CG1-CE2 4.15Å; V273-L337 HydrophobicContact CG2-CD1 4.18Å; V273-Y340 HydrophobicContact CB-CD2 4.32Å; V273-Y340 HydrophobicContact CG1-CD2 4.24Å; V273-Y340 HydrophobicContact CG2-CD2 4.1Å; V273-Y340 HydrophobicContact CG2-CG 3.89Å
274S77.8Confident65.4Low55 Ų5574.6 Ų74.639%0.38547%0.471SS..  trans-69.8152.4178.173.70000111.5A276 E277 K278S274-A276 PolarHBondContact O-N 2.98Å; S274-A276 VanDerWaalsContact O-N 3.08Å; S274-E277 VanDerWaalsContact CB-OE2 3.23Å; S274-E277 WeakPolarHBondContact CB-OE2 3.41Å; S274-E277 PolarHBondContact N-OE2 3.32Å; S274-E277 WeakPolarHBondContact O-CA 3.21Å; S274-E277 PolarHBondContact O-N 2.67Å; S274-E277 VanDerWaalsContact OG-CD 3.27Å; S274-E277 WeakPolarHBondContact OG-CG 2.89Å; S274-E277 PolarHBondContact OG-OE2 3.49Å; S274-K278 PolarHBondContact O-N 2.95Å
275A73.2Confident67.6Low87 Ų8768.6 Ų68.672%0.71943%0.432SS*.Hα-helixtrans-57.2-29.6-17800000113.8A279A275-A279 PolarHBondContact O-N 2.87Å; A275-A279 VanDerWaalsContact O-N 3.14Å
276A72.6Confident70.1Confident69 Ų6965.9 Ų65.957%0.5742%0.417SS*.Hα-helixtrans-80.6-18.217700000114S274 K280S274-A276 PolarHBondContact O-N 2.98Å; S274-A276 VanDerWaalsContact O-N 3.08Å; A276-K280 WeakPolarHBondContact O-CE 3.43Å
277E75.8Confident72.2Confident57 Ų5768.3 Ų68.327%0.26642%0.415SS..Hα-helixtrans-86.3-44.7168.9-68.6162.7130.400110V273 S274 A279 K280 Y281V273-E277 HydrophobicContact CG1-CB 4.07Å; S274-E277 VanDerWaalsContact CB-OE2 3.23Å; S274-E277 WeakPolarHBondContact CB-OE2 3.41Å; S274-E277 PolarHBondContact N-OE2 3.32Å; S274-E277 WeakPolarHBondContact O-CA 3.21Å; S274-E277 PolarHBondContact O-N 2.67Å; S274-E277 VanDerWaalsContact OG-CD 3.27Å; S274-E277 WeakPolarHBondContact OG-CG 2.89Å; S274-E277 PolarHBondContact OG-OE2 3.49Å; E277-A279 VanDerWaalsContact C-N 3.28Å; E277-A279 PolarHBondContact O-N 3.49Å; E277-K280 PolarHBondContact O-N 3.44Å; E277-Y281 HydrophobicContact CB-CE2 3.97Å; E277-Y281 WeakPolarHBondContact O-CD2 3.24Å; E277-Y281 PolarHBondContact O-N 2.86Å; E277-Y281 VanDerWaalsContact O-N 3.09Å
278K80.4Confident74.1Confident44 Ų4464.2 Ų64.219%0.19138%0.38CS..Hα-helixtrans-50.7-48.3174.4-166.3-162.1-171.1-60.10110.7W271 V273 S274 K280 Y281 D282 A336W271-K278 HydrophobicContact CZ3-CD 4Å; W271-K278 HydrophobicContact CZ3-CG 4.09Å; V273-K278 HydrophobicContact CG1-CB 4.15Å; S274-K278 PolarHBondContact O-N 2.95Å; K278-K280 PolarHBondContact O-N 3.32Å; K278-K280 VanDerWaalsContact O-N 3.15Å; K278-Y281 PolarHBondContact O-N 2.99Å; K278-Y281 VanDerWaalsContact O-N 3.13Å; K278-D282 WeakPolarHBondContact CG-OD1 3.37Å; K278-D282 IonicContact NZ-OD1 3.57Å; K278-D282 PolarHBondContact NZ-OD1 3.27Å; K278-D282 IonicContact NZ-OD2 2.98Å; K278-D282 PolarHBondContact NZ-OD2 3.07Å; K278-D282 WeakPolarHBondContact O-CB 3.32Å; K278-D282 PolarHBondContact O-N 3.03Å; K278-A336 HydrophobicContact CG-CB 4.45Å
279A80.8Confident76.3Confident61 Ų6161.1 Ų61.150%0.50435%0.351SS..Hα-helixtrans-55-33.717900000114.4A275 E277 E283A275-A279 PolarHBondContact O-N 2.87Å; A275-A279 VanDerWaalsContact O-N 3.14Å; E277-A279 VanDerWaalsContact C-N 3.28Å; E277-A279 PolarHBondContact O-N 3.49Å; A279-E283 PolarHBondContact O-N 2.92Å
280K80.9Confident77.8Confident139 Ų13961.9 Ų61.960%0.60436%0.364SS*.Hα-helixtrans-80.4-37.3178.8-60173.4-174.81770112.1A276 E277 K278 D282 E283 L284A276-K280 WeakPolarHBondContact O-CE 3.43Å; E277-K280 PolarHBondContact O-N 3.44Å; K278-K280 PolarHBondContact O-N 3.32Å; K278-K280 VanDerWaalsContact O-N 3.15Å; K280-D282 VanDerWaalsContact C-N 3.34Å; K280-E283 PolarHBondContact O-N 3.08Å; K280-L284 PolarHBondContact O-N 2.96Å; K280-L284 VanDerWaalsContact O-N 3.08Å
281Y85.3Confident78.9Confident25 Ų2561.7 Ų61.710%0.09836%0.358CS..Hα-helixtrans-72.6-31.4175.4-56.2-31.4000111.5V273 E277 K278 L284 F285 A336 L339 Y340 N343V273-Y281 HydrophobicContact CG1-CD2 4.1Å; V273-Y281 HydrophobicContact CG1-CE2 4.15Å; E277-Y281 HydrophobicContact CB-CE2 3.97Å; E277-Y281 WeakPolarHBondContact O-CD2 3.24Å; E277-Y281 PolarHBondContact O-N 2.86Å; E277-Y281 VanDerWaalsContact O-N 3.09Å; K278-Y281 PolarHBondContact O-N 2.99Å; K278-Y281 VanDerWaalsContact O-N 3.13Å; Y281-L284 PolarHBondContact O-N 3.46Å; Y281-F285 VanDerWaalsContact O-CB 3.27Å; Y281-F285 WeakPolarHBondContact O-CB 3.38Å; Y281-F285 PolarHBondContact O-N 2.78Å; Y281-A336 HydrophobicContact CD2-CB 4.26Å; Y281-A336 WeakPolarHBondContact CD2-O 3.45Å; Y281-L339 HydrophobicContact CD1-CB 3.8Å; Y281-L339 HydrophobicContact CD1-CD1 3.77Å; Y281-L339 HydrophobicContact CD1-CG 4.42Å; Y281-L339 HydrophobicContact CD2-CB 4.18Å; Y281-L339 HydrophobicContact CE1-CB 4.01Å; Y281-L339 HydrophobicContact CE2-CB 4.38Å; Y281-L339 HydrophobicContact CG-CB 3.91Å; Y281-L339 HydrophobicContact CG-CD1 3.98Å; Y281-Y340 HydrophobicContact CE2-CD2 4.44Å; Y281-N343 PolarHBondContact OH-ND2 3.1Å
282D82.9Confident79.3Confident23 Ų2367.1 Ų67.112%0.12339%0.387CS..Hα-helixtrans-64.7-38.6170.3-9137.4000112.5K278 K280 S286 R332K278-D282 WeakPolarHBondContact CG-OD1 3.37Å; K278-D282 IonicContact NZ-OD1 3.57Å; K278-D282 PolarHBondContact NZ-OD1 3.27Å; K278-D282 IonicContact NZ-OD2 2.98Å; K278-D282 PolarHBondContact NZ-OD2 3.07Å; K278-D282 WeakPolarHBondContact O-CB 3.32Å; K278-D282 PolarHBondContact O-N 3.03Å; K280-D282 VanDerWaalsContact C-N 3.34Å; D282-S286 WeakPolarHBondContact O-CB 3.47Å; D282-S286 PolarHBondContact O-N 3.3Å; D282-S286 VanDerWaalsContact O-N 3.13Å; D282-S286 PolarHBondContact O-OG 3.39Å; D282-R332 VanDerWaalsContact CB-NH2 3.32Å; D282-R332 IonicContact OD1-NE 2.69Å; D282-R332 IonicContact OD2-CZ 2.71Å; D282-R332 VanDerWaalsContact OD2-CZ 3.3Å; D282-R332 IonicContact OD2-NE 3.16Å; D282-R332 PolarHBondContact OD2-NE 3Å; D282-R332 IonicContact OD2-NH2 2.61Å; D282-R332 PolarHBondContact OD2-NH2 3.3Å
283E83.6Confident80Confident148 Ų14868.7 Ų68.769%0.69239%0.394SS*.Hα-helixtrans-66.3-45.5172.2-175-175.8173.300111A279 K280 S286 K287A279-E283 PolarHBondContact O-N 2.92Å; K280-E283 PolarHBondContact O-N 3.08Å; E283-S286 PolarHBondContact O-N 2.95Å; E283-K287 PolarHBondContact O-N 2.92Å
284L81Confident80.3Confident62 Ų6270.2 Ų70.233%0.32541%0.411SS..Hα-helixtrans-65.7-38.9177.4-172.254.7000112K280 Y281 S286 K287 T288 I304 L339K280-L284 PolarHBondContact O-N 2.96Å; K280-L284 VanDerWaalsContact O-N 3.08Å; Y281-L284 PolarHBondContact O-N 3.46Å; L284-S286 PolarHBondContact O-N 3.04Å; L284-K287 CarbonylContact O-C 3.59Å; L284-K287 PolarHBondContact O-N 3.49Å; L284-K287 VanDerWaalsContact O-N 3.14Å; L284-T288 PolarHBondContact O-N 3.2Å; L284-T288 VanDerWaalsContact O-N 3.12Å; L284-T288 PolarHBondContact O-OG1 3.14Å; L284-I304 HydrophobicContact CD1-CD1 4.17Å; L284-I304 HydrophobicContact CD2-CG2 4.04Å; L284-I304 HydrophobicContact CG-CG2 4.5Å; L284-L339 HydrophobicContact CD2-CD1 3.86Å; L284-L339 HydrophobicContact CD2-CD2 4.4Å; L284-L339 HydrophobicContact CG-CD1 4.45Å
285F84.1Confident80.5Confident2 Ų270.4 Ų70.41%0.00941%0.407CS..Hα-helixtrans-54.9-51.7172.2-178.3-84.6000110.7Y281 K287 T288 D289 G294 V296 R332 F335Y281-F285 VanDerWaalsContact O-CB 3.27Å; Y281-F285 WeakPolarHBondContact O-CB 3.38Å; Y281-F285 PolarHBondContact O-N 2.78Å; F285-K287 PolarHBondContact O-N 3Å; F285-T288 PolarHBondContact O-N 2.88Å; F285-D289 HydrophobicContact CD1-CB 4.31Å; F285-D289 HydrophobicContact CE1-CB 4.06Å; F285-D289 WeakPolarHBondContact CE1-OD2 3.46Å; F285-D289 VanDerWaalsContact O-CB 3.31Å; F285-D289 WeakPolarHBondContact O-CB 3.41Å; F285-D289 PolarHBondContact O-N 3.48Å; F285-G294 VanDerWaalsContact CZ-O 3.3Å; F285-G294 WeakPolarHBondContact CZ-O 3.33Å; F285-V296 HydrophobicContact CD2-CG2 3.69Å; F285-V296 HydrophobicContact CE1-CG2 4.42Å; F285-V296 HydrophobicContact CE2-CB 4.05Å; F285-V296 HydrophobicContact CE2-CG2 3.43Å; F285-V296 VanDerWaalsContact CE2-CG2 3.43Å; F285-V296 HydrophobicContact CG-CG2 4.31Å; F285-V296 HydrophobicContact CZ-CG2 3.82Å; F285-R332 HydrophobicContact CD1-CB 4.29Å; F285-R332 HydrophobicContact CD1-CG 3.99Å; F285-R332 HydrophobicContact CD2-CB 4.23Å; F285-R332 HydrophobicContact CD2-CG 4.32Å; F285-R332 HydrophobicContact CE1-CB 4.07Å; F285-R332 HydrophobicContact CE1-CG 4.25Å; F285-R332 VanDerWaalsContact CE2-CA 3.45Å; F285-R332 HydrophobicContact CE2-CB 3.99Å; F285-R332 HydrophobicContact CG-CB 4.37Å; F285-R332 HydrophobicContact CG-CG 4.04Å; F285-R332 HydrophobicContact CZ-CB 3.91Å; F285-F335 HydrophobicContact CB-CD1 3.8Å; F285-F335 HydrophobicContact CB-CE1 3.7Å; F285-F335 HydrophobicContact CB-CZ 4.47Å; F285-F335 HydrophobicContact CD2-CB 3.72Å; F285-F335 AromaticContact CD2-CD1 3.61Å; F285-F335 HydrophobicContact CD2-CD1 3.61Å; F285-F335 HydrophobicContact CD2-CD2 4.14Å; F285-F335 HydrophobicContact CD2-CE1 4.13Å; F285-F335 AromaticContact CD2-CG 3.6Å; F285-F335 HydrophobicContact CD2-CG 3.6Å; F285-F335 HydrophobicContact CE2-CB 4.08Å; F285-F335 HydrophobicContact CE2-CG 4.32Å; F285-F335 HydrophobicContact CG-CD1 4.22Å; F285-F335 HydrophobicContact CG-CE1 4.43Å
286S82.6Confident81Confident62 Ų6266.3 Ų66.343%0.43437%0.373SS..THydrogen-bonded Turntrans-68.32.2-179.3-43.90000114.1D282 E283 L284 R332D282-S286 WeakPolarHBondContact O-CB 3.47Å; D282-S286 PolarHBondContact O-N 3.3Å; D282-S286 VanDerWaalsContact O-N 3.13Å; D282-S286 PolarHBondContact O-OG 3.39Å; E283-S286 PolarHBondContact O-N 2.95Å; L284-S286 PolarHBondContact O-N 3.04Å; S286-R332 PolarHBondContact OG-NH1 3.37Å
287K80.8Confident81.6Confident181 Ų18164.1 Ų64.179%0.78735%0.354SS*.THydrogen-bonded Turntrans-118-5.3172.6-177.8168.2179.8174.20112.6E283 L284 F285E283-K287 PolarHBondContact O-N 2.92Å; L284-K287 CarbonylContact O-C 3.59Å; L284-K287 PolarHBondContact O-N 3.49Å; L284-K287 VanDerWaalsContact O-N 3.14Å; F285-K287 PolarHBondContact O-N 3Å
288T82.3Confident81.8Confident12 Ų1262.8 Ų62.87%0.07436%0.355CS..THydrogen-bonded Turntrans-103-41.9177.9-46.60000110.7L284 F285 G290 V296 E300 I304 F335L284-T288 PolarHBondContact O-N 3.2Å; L284-T288 VanDerWaalsContact O-N 3.12Å; L284-T288 PolarHBondContact O-OG1 3.14Å; F285-T288 PolarHBondContact O-N 2.88Å; T288-G290 PolarHBondContact O-N 3.45Å; T288-G290 VanDerWaalsContact O-N 3.07Å; T288-V296 HydrophobicContact CG2-CG1 3.6Å; T288-V296 HydrophobicContact CG2-CG2 4.22Å; T288-E300 HydrophobicContact CG2-CB 4.06Å; T288-I304 HydrophobicContact CG2-CD1 3.59Å; T288-I304 WeakPolarHBondContact OG1-CD1 3.44Å; T288-F335 HydrophobicContact CG2-CE2 4.27Å; T288-F335 HydrophobicContact CG2-CZ 4.46Å
289D84.1Confident81.9Confident19 Ų1964 Ų6410%0.10237%0.373CS..  trans-59.796.9168.6-177.7-2000108.7F285 M292 D293 G294 V296F285-D289 HydrophobicContact CD1-CB 4.31Å; F285-D289 HydrophobicContact CE1-CB 4.06Å; F285-D289 WeakPolarHBondContact CE1-OD2 3.46Å; F285-D289 VanDerWaalsContact O-CB 3.31Å; F285-D289 WeakPolarHBondContact O-CB 3.41Å; F285-D289 PolarHBondContact O-N 3.48Å; D289-M292 VanDerWaalsContact OD1-C 3.3Å; D289-M292 WeakPolarHBondContact OD1-CA 3.43Å; D289-M292 PolarHBondContact OD1-N 3.41Å; D289-D293 PolarHBondContact OD1-N 3.01Å; D289-G294 WeakPolarHBondContact OD2-CA 3.47Å; D289-G294 PolarHBondContact OD2-N 3.11Å; D289-V296 HydrophobicContact CB-CG2 3.93Å
290G77.5Confident82Confident66 Ų6663.9 Ų63.968%0.6836%0.362SS*.SBendtrans-98.8-26.3-169.300000114.1T288T288-G290 PolarHBondContact O-N 3.45Å; T288-G290 VanDerWaalsContact O-N 3.07Å
291D79.4Confident82.1Confident93 Ų9357.3 Ų57.350%0.49733%0.334SS..SBendtrans-85.6-10.5168.255.84.2000112.3D293 K329D291-D293 VanDerWaalsContact C-N 3.27Å; D291-D293 PolarHBondContact O-N 2.87Å; D291-D293 PolarHBondContact OD1-N 3.47Å; D291-K329 IonicContact OD2-NZ 2.72Å; D291-K329 PolarHBondContact OD2-NZ 3.32Å
292M78.8Confident81.9Confident154 Ų15463.7 Ų63.776%0.75936%0.358SS*.  trans63.529.1-177.6-52.5-162.478.700113D289 G294D289-M292 VanDerWaalsContact OD1-C 3.3Å; D289-M292 WeakPolarHBondContact OD1-CA 3.43Å; D289-M292 PolarHBondContact OD1-N 3.41Å; M292-G294 VanDerWaalsContact C-N 3.26Å; M292-G294 PolarHBondContact O-N 3.32Å
293D82.3Confident81.7Confident78 Ų7867 Ų6742%0.41738%0.375SS..SBendtrans-78.8-6.9-178.499.4-30.9000113.9D289 D291 L295 K329D289-D293 PolarHBondContact OD1-N 3.01Å; D291-D293 VanDerWaalsContact C-N 3.27Å; D291-D293 PolarHBondContact O-N 2.87Å; D291-D293 PolarHBondContact OD1-N 3.47Å; D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 WeakPolarHBondContact OD1-CA 3.39Å; D293-L295 VanDerWaalsContact OD1-CB 3.24Å; D293-L295 WeakPolarHBondContact OD1-CB 3.31Å; D293-L295 PolarHBondContact OD1-N 3.01Å; D293-K329 IonicContact OD1-NZ 2.82Å; D293-K329 PolarHBondContact OD1-NZ 3.34Å; D293-K329 VanDerWaalsContact OD1-NZ 3.16Å; D293-K329 IonicContact OD2-NZ 2.72Å; D293-K329 PolarHBondContact OD2-NZ 2.86Å
294G80.3Confident81.7Confident38 Ų3861.7 Ų61.739%0.39235%0.352SS..SBendtrans82.76.7177.800000114.1F285 D289 M292F285-G294 VanDerWaalsContact CZ-O 3.3Å; F285-G294 WeakPolarHBondContact CZ-O 3.33Å; D289-G294 WeakPolarHBondContact OD2-CA 3.47Å; D289-G294 PolarHBondContact OD2-N 3.11Å; M292-G294 VanDerWaalsContact C-N 3.26Å; M292-G294 PolarHBondContact O-N 3.32Å
295L82.5Confident81.8Confident59 Ų5959.1 Ų59.131%0.30934%0.338SS..EExtended strand (participates in β ladder)trans-119.7174.3168.2-50.9172.1000108.6D293 K329 T331D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 WeakPolarHBondContact OD1-CA 3.39Å; D293-L295 VanDerWaalsContact OD1-CB 3.24Å; D293-L295 WeakPolarHBondContact OD1-CB 3.31Å; D293-L295 PolarHBondContact OD1-N 3.01Å; L295-K329 HydrophobicContact CB-CB 3.89Å; L295-K329 HydrophobicContact CB-CD 3.64Å; L295-K329 HydrophobicContact CB-CG 4.43Å; L295-K329 HydrophobicContact CD1-CB 4.23Å; L295-K329 HydrophobicContact CD1-CD 3.92Å; L295-K329 HydrophobicContact CG-CD 4.43Å; L295-T331 HydrophobicContact CD2-CG2 3.8Å
296V83.9Confident81.8Confident0 Ų063.7 Ų63.70%036%0.362CS..EExtended strand (participates in β ladder)trans-135.5125.1169.4170.10000109F285 T288 D289 E300 V301 K329 L330 F335F285-V296 HydrophobicContact CD2-CG2 3.69Å; F285-V296 HydrophobicContact CE1-CG2 4.42Å; F285-V296 HydrophobicContact CE2-CB 4.05Å; F285-V296 HydrophobicContact CE2-CG2 3.43Å; F285-V296 VanDerWaalsContact CE2-CG2 3.43Å; F285-V296 HydrophobicContact CG-CG2 4.31Å; F285-V296 HydrophobicContact CZ-CG2 3.82Å; T288-V296 HydrophobicContact CG2-CG1 3.6Å; T288-V296 HydrophobicContact CG2-CG2 4.22Å; D289-V296 HydrophobicContact CB-CG2 3.93Å; V296-E300 HydrophobicContact CG1-CB 4.13Å; V296-V301 HydrophobicContact CG1-CB 3.73Å; V296-V301 HydrophobicContact CG1-CG1 4.44Å; V296-K329 CarbonylContact O-C 3.59Å; V296-K329 VanDerWaalsContact O-CA 3.29Å; V296-K329 WeakPolarHBondContact O-CA 3.44Å; V296-L330 PolarHBondContact N-O 3.36Å; V296-L330 PolarHBondContact O-N 3.22Å; V296-F335 HydrophobicContact CB-CD2 4.23Å; V296-F335 HydrophobicContact CB-CE2 4.42Å; V296-F335 HydrophobicContact CG1-CD2 4.25Å; V296-F335 HydrophobicContact CG1-CE2 4.08Å; V296-F335 HydrophobicContact CG2-CD2 4.45Å; V296-F335 HydrophobicContact CG2-CE2 4.41Å
297S85.4Confident81.7Confident24 Ų2468.1 Ų68.117%0.16837%0.373CS..EExtended strand (participates in β ladder)trans-75.4157.6179.775.20000113.3A299 E300 V301S297-A299 PolarHBondContact O-N 2.72Å; S297-A299 PolarHBondContact OG-N 3.04Å; S297-E300 WeakPolarHBondContact CA-OE2 3.33Å; S297-E300 WeakPolarHBondContact CB-OE2 3.45Å; S297-E300 PolarHBondContact N-OE2 3.24Å; S297-E300 PolarHBondContact O-N 3.3Å; S297-E300 PolarHBondContact OG-N 2.86Å; S297-E300 PolarHBondContact OG-OE2 2.84Å; S297-V301 WeakPolarHBondContact O-CG1 3.41Å; S297-V301 PolarHBondContact O-N 2.78Å
298G80.2Confident81.6Confident28 Ų2861.3 Ų61.329%0.28935%0.347SS..THydrogen-bonded Turntrans-59.4-3.8171.900000115.7G328G298-G328 PolarHBondContact N-O 2.85Å
299A81.3Confident81.3Confident70 Ų7064 Ų6458%0.57938%0.376SS*.THydrogen-bonded Turntrans-92-51.2171.600000112S297 R302S297-A299 PolarHBondContact O-N 2.72Å; S297-A299 PolarHBondContact OG-N 3.04Å; A299-R302 WeakPolarHBondContact O-CB 3.12Å; A299-R302 PolarHBondContact O-N 3.09Å
300E82.9Confident81.2Confident58 Ų5864 Ų6427%0.27138%0.376SS..Hα-helixtrans-67.8-43.4-173.7-63.6152.4116.600112T288 V296 S297 R302T288-E300 HydrophobicContact CG2-CB 4.06Å; V296-E300 HydrophobicContact CG1-CB 4.13Å; S297-E300 WeakPolarHBondContact CA-OE2 3.33Å; S297-E300 WeakPolarHBondContact CB-OE2 3.45Å; S297-E300 PolarHBondContact N-OE2 3.24Å; S297-E300 PolarHBondContact O-N 3.3Å; S297-E300 PolarHBondContact OG-N 2.86Å; S297-E300 PolarHBondContact OG-OE2 2.84Å; E300-R302 VanDerWaalsContact C-N 3.25Å; E300-R302 PolarHBondContact O-N 3.41Å
301V82.9Confident81.5Confident2 Ų264.6 Ų64.61%0.01237%0.369CS..Hα-helixtrans-65.1-26.1174.163.90000113.7V296 S297 D303 I304 F305 W319 F335V296-V301 HydrophobicContact CG1-CB 3.73Å; V296-V301 HydrophobicContact CG1-CG1 4.44Å; S297-V301 WeakPolarHBondContact O-CG1 3.41Å; S297-V301 PolarHBondContact O-N 2.78Å; V301-D303 PolarHBondContact O-N 2.84Å; V301-I304 PolarHBondContact O-N 3.02Å; V301-F305 HydrophobicContact CG2-CD1 3.42Å; V301-F305 VanDerWaalsContact CG2-CD1 3.42Å; V301-F305 HydrophobicContact CG2-CD2 3.84Å; V301-F305 HydrophobicContact CG2-CE1 3.23Å; V301-F305 HydrophobicContact CG2-CE2 3.68Å; V301-F305 HydrophobicContact CG2-CG 3.72Å; V301-F305 HydrophobicContact CG2-CZ 3.36Å; V301-F305 PolarHBondContact O-N 3.47Å; V301-W319 HydrophobicContact CB-CZ3 4Å; V301-W319 HydrophobicContact CG1-CE3 3.92Å; V301-W319 HydrophobicContact CG1-CH2 3.67Å; V301-W319 HydrophobicContact CG1-CZ3 3.15Å; V301-W319 HydrophobicContact CG2-CZ3 4.05Å; V301-F335 HydrophobicContact CB-CE2 4.25Å; V301-F335 HydrophobicContact CG2-CD2 4.1Å; V301-F335 HydrophobicContact CG2-CE2 3.7Å
302R81.8Confident81.5Confident159 Ų15963.7 Ų63.760%0.637%0.369SS*.Hα-helixtrans-56.6-43.9-168.2-165.6-174.2-168.392-0.2110.8A299 E300 L306A299-R302 WeakPolarHBondContact O-CB 3.12Å; A299-R302 PolarHBondContact O-N 3.09Å; E300-R302 VanDerWaalsContact C-N 3.25Å; E300-R302 PolarHBondContact O-N 3.41Å; R302-L306 WeakPolarHBondContact O-CB 3.38Å; R302-L306 PolarHBondContact O-N 3.11Å
303D78.9Confident81.7Confident92 Ų9260.2 Ų60.249%0.49237%0.365SS..Hα-helixtrans-67.4-35.7-178.8-115.346000112.4V301 K307V301-D303 PolarHBondContact O-N 2.84Å; D303-K307 VanDerWaalsContact O-CB 3.32Å; D303-K307 WeakPolarHBondContact O-CB 3.26Å; D303-K307 WeakPolarHBondContact O-CD 3.45Å; D303-K307 WeakPolarHBondContact O-CE 3.37Å; D303-K307 WeakPolarHBondContact O-CG 3.42Å; D303-K307 PolarHBondContact O-N 2.89Å; D303-K307 VanDerWaalsContact O-N 3.07Å; D303-K307 IonicContact OD2-NZ 3.29Å; D303-K307 PolarHBondContact OD2-NZ 3.37Å
304I83.3Confident81.6Confident37 Ų3757.7 Ų57.719%0.1935%0.353CS..Hα-helixtrans-75-43.5178.4-64.5179.4000110.5L284 T288 V301 K307 T308L284-I304 HydrophobicContact CD1-CD1 4.17Å; L284-I304 HydrophobicContact CD2-CG2 4.04Å; L284-I304 HydrophobicContact CG-CG2 4.5Å; T288-I304 HydrophobicContact CG2-CD1 3.59Å; T288-I304 WeakPolarHBondContact OG1-CD1 3.44Å; V301-I304 PolarHBondContact O-N 3.02Å; I304-K307 PolarHBondContact O-N 3.12Å; I304-T308 VanDerWaalsContact O-CG2 3.31Å; I304-T308 WeakPolarHBondContact O-CG2 3.34Å; I304-T308 PolarHBondContact O-N 3.09Å
305F83.9Confident81.8Confident8 Ų856.4 Ų56.44%0.03534%0.337CS..Hα-helixtrans-66.5-40.8176.6-78.816.7000111.2V301 K307 T308 L315 W319 F335 A338 L339 I342V301-F305 HydrophobicContact CG2-CD1 3.42Å; V301-F305 VanDerWaalsContact CG2-CD1 3.42Å; V301-F305 HydrophobicContact CG2-CD2 3.84Å; V301-F305 HydrophobicContact CG2-CE1 3.23Å; V301-F305 HydrophobicContact CG2-CE2 3.68Å; V301-F305 HydrophobicContact CG2-CG 3.72Å; V301-F305 HydrophobicContact CG2-CZ 3.36Å; V301-F305 PolarHBondContact O-N 3.47Å; F305-K307 VanDerWaalsContact C-N 3.35Å; F305-K307 PolarHBondContact O-N 3.39Å; F305-T308 PolarHBondContact O-N 2.84Å; F305-T308 VanDerWaalsContact O-N 3.12Å; F305-T308 PolarHBondContact O-OG1 3.48Å; F305-T308 VanDerWaalsContact O-OG1 3.1Å; F305-L315 HydrophobicContact CB-CD1 4.2Å; F305-L315 HydrophobicContact CB-CD2 4.05Å; F305-L315 VanDerWaalsContact O-CD1 3.31Å; F305-L315 WeakPolarHBondContact O-CD1 3.27Å; F305-W319 HydrophobicContact CE2-CE3 4.12Å; F305-F335 HydrophobicContact CE1-CE2 4.49Å; F305-A338 HydrophobicContact CE2-CB 4.01Å; F305-A338 HydrophobicContact CZ-CB 3.59Å; F305-L339 HydrophobicContact CD1-CD2 4.06Å; F305-L339 HydrophobicContact CE1-CD2 3.59Å; F305-L339 HydrophobicContact CE1-CG 3.94Å; F305-I342 HydrophobicContact CB-CD1 4.2Å; F305-I342 HydrophobicContact CD1-CD1 3.5Å; F305-I342 VanDerWaalsContact CD1-CD1 3.5Å; F305-I342 HydrophobicContact CD2-CD1 3.54Å; F305-I342 HydrophobicContact CE1-CD1 3.66Å; F305-I342 HydrophobicContact CE2-CD1 3.68Å; F305-I342 HydrophobicContact CG-CD1 3.45Å; F305-I342 VanDerWaalsContact CG-CD1 3.45Å; F305-I342 HydrophobicContact CZ-CD1 3.75Å
306L83.6Confident81.8Confident98 Ų9855.7 Ų55.751%0.51334%0.339SS..Hα-helixtrans-67.7-34.2177-167.564.1000112.2R302 T308 G309R302-L306 WeakPolarHBondContact O-CB 3.38Å; R302-L306 PolarHBondContact O-N 3.11Å; L306-T308 PolarHBondContact O-N 2.93Å; L306-T308 VanDerWaalsContact O-N 3.17Å; L306-G309 PolarHBondContact O-N 3.35Å
307K79.5Confident81.7Confident154 Ų15459.7 Ų59.767%0.6735%0.354SS*.THydrogen-bonded Turntrans-61.5-16.5171.5-78.4159-159.6152.20113.5D303 I304 F305 G309D303-K307 VanDerWaalsContact O-CB 3.32Å; D303-K307 WeakPolarHBondContact O-CB 3.26Å; D303-K307 WeakPolarHBondContact O-CD 3.45Å; D303-K307 WeakPolarHBondContact O-CE 3.37Å; D303-K307 WeakPolarHBondContact O-CG 3.42Å; D303-K307 PolarHBondContact O-N 2.89Å; D303-K307 VanDerWaalsContact O-N 3.07Å; D303-K307 IonicContact OD2-NZ 3.29Å; D303-K307 PolarHBondContact OD2-NZ 3.37Å; I304-K307 PolarHBondContact O-N 3.12Å; F305-K307 VanDerWaalsContact C-N 3.35Å; F305-K307 PolarHBondContact O-N 3.39Å; K307-G309 VanDerWaalsContact C-N 3.27Å; K307-G309 PolarHBondContact O-N 2.9Å
308T79.6Confident81.5Confident39 Ų3958.5 Ų58.524%0.23935%0.346CS..THydrogen-bonded Turntrans-82.90.4173.890.80000113.8I304 F305 L306 L310 I342I304-T308 VanDerWaalsContact O-CG2 3.31Å; I304-T308 WeakPolarHBondContact O-CG2 3.34Å; I304-T308 PolarHBondContact O-N 3.09Å; F305-T308 PolarHBondContact O-N 2.84Å; F305-T308 VanDerWaalsContact O-N 3.12Å; F305-T308 PolarHBondContact O-OG1 3.48Å; F305-T308 VanDerWaalsContact O-OG1 3.1Å; L306-T308 PolarHBondContact O-N 2.93Å; L306-T308 VanDerWaalsContact O-N 3.17Å; T308-L310 VanDerWaalsContact C-N 3.27Å; T308-L310 PolarHBondContact O-N 2.68Å; T308-I342 HydrophobicContact CG2-CG2 3.81Å; T308-I342 VanDerWaalsContact OG1-CG2 3.25Å; T308-I342 WeakPolarHBondContact OG1-CG2 3.35Å
309G76.1Confident81.8Confident67 Ų6759 Ų5969%0.69134%0.339SS*.THydrogen-bonded Turntrans71.29.8170.800000116.3L306 K307L306-G309 PolarHBondContact O-N 3.35Å; K307-G309 VanDerWaalsContact C-N 3.27Å; K307-G309 PolarHBondContact O-N 2.9Å
310L82Confident81.8Confident19 Ų1961.8 Ų61.810%0.09934%0.34CS..  trans-78151.3173.6-68.9-179.2000111.2T308 S312 L315 I342 K345 L346T308-L310 VanDerWaalsContact C-N 3.27Å; T308-L310 PolarHBondContact O-N 2.68Å; L310-S312 PolarHBondContact O-N 3.35Å; L310-L315 HydrophobicContact CB-CD1 4.33Å; L310-L315 HydrophobicContact CB-CD2 3.81Å; L310-L315 HydrophobicContact CB-CG 3.89Å; L310-L315 HydrophobicContact CD1-CD2 4.04Å; L310-L315 HydrophobicContact CG-CD2 4.47Å; L310-L315 WeakPolarHBondContact O-CD1 3.49Å; L310-I342 HydrophobicContact CD1-CB 4.31Å; L310-I342 HydrophobicContact CD1-CG1 4.26Å; L310-I342 HydrophobicContact CD1-CG2 3.92Å; L310-K345 HydrophobicContact CD1-CB 4.13Å; L310-K345 HydrophobicContact CD1-CG 3.97Å; L310-K345 HydrophobicContact CD2-CG 3.8Å; L310-L346 HydrophobicContact CD1-CG 4.29Å; L310-L346 HydrophobicContact CD2-CD2 3.6Å; L310-L346 HydrophobicContact CD2-CG 3.98Å; L310-L346 HydrophobicContact CG-CD2 3.98Å; L310-L346 HydrophobicContact CG-CG 4.09Å
311P83.6Confident81.6Confident80 Ų8060.2 Ų60.252%0.51933%0.333SS..  trans-58.4137.8175.7-23.333.9000111.9A313 T314 L315P311-A313 PolarHBondContact O-N 3.08Å; P311-T314 WeakPolarHBondContact O-CA 3.49Å; P311-T314 WeakPolarHBondContact O-CB 3.48Å; P311-T314 PolarHBondContact O-N 2.9Å; P311-L315 PolarHBondContact O-N 3.45Å
312S79.9Confident81.5Confident73 Ų7360.1 Ų60.151%0.5133%0.333SS..Hα-helixtrans-56.7-29.2-177.3-170.90000113.8L310 L315 A316L310-S312 PolarHBondContact O-N 3.35Å; S312-L315 PolarHBondContact O-N 3.19Å; S312-A316 WeakPolarHBondContact O-CB 3.36Å; S312-A316 PolarHBondContact O-N 3.19Å
313A81.4Confident81.5Confident81 Ų8153 Ų5367%0.66931%0.307SS*.Hα-helixtrans-71.2-31.8174.900000112.8P311 R317P311-A313 PolarHBondContact O-N 3.08Å; A313-R317 WeakPolarHBondContact O-CB 3.37Å; A313-R317 PolarHBondContact O-N 2.97Å
314T81.4Confident81.1Confident26 Ų2651.6 Ų51.616%0.1630%0.299CS..Hα-helixtrans-73.8-38172.8-49.70000110.9P311 R317 I318 P352P311-T314 WeakPolarHBondContact O-CA 3.49Å; P311-T314 WeakPolarHBondContact O-CB 3.48Å; P311-T314 PolarHBondContact O-N 2.9Å; T314-R317 PolarHBondContact O-N 3.1Å; T314-I318 HydrophobicContact CG2-CD1 4.29Å; T314-I318 WeakPolarHBondContact O-CG1 3.47Å; T314-I318 PolarHBondContact O-N 2.82Å; T314-P352 HydrophobicContact CG2-CG 4.24Å
315L84.1Confident80.4Confident11 Ų1152.8 Ų52.86%0.05832%0.32CS..Hα-helixtrans-67.5-45.6176.8-67.6174.1000112.2F305 L310 P311 S312 R317 I318 W319 I342F305-L315 HydrophobicContact CB-CD1 4.2Å; F305-L315 HydrophobicContact CB-CD2 4.05Å; F305-L315 VanDerWaalsContact O-CD1 3.31Å; F305-L315 WeakPolarHBondContact O-CD1 3.27Å; L310-L315 HydrophobicContact CB-CD1 4.33Å; L310-L315 HydrophobicContact CB-CD2 3.81Å; L310-L315 HydrophobicContact CB-CG 3.89Å; L310-L315 HydrophobicContact CD1-CD2 4.04Å; L310-L315 HydrophobicContact CG-CD2 4.47Å; L310-L315 WeakPolarHBondContact O-CD1 3.49Å; P311-L315 PolarHBondContact O-N 3.45Å; S312-L315 PolarHBondContact O-N 3.19Å; L315-R317 VanDerWaalsContact C-N 3.29Å; L315-R317 PolarHBondContact O-N 2.9Å; L315-I318 PolarHBondContact O-N 3.44Å; L315-I318 VanDerWaalsContact O-N 3.15Å; L315-W319 PolarHBondContact O-N 2.96Å; L315-I342 HydrophobicContact CD2-CD1 3.76Å; L315-I342 HydrophobicContact CD2-CG1 3.87Å
316A81.9Confident79.9Confident43 Ų4359.4 Ų59.436%0.35536%0.356SS..Hα-helixtrans-57.4-43172.600000111.4S312 I318 W319 E320S312-A316 WeakPolarHBondContact O-CB 3.36Å; S312-A316 PolarHBondContact O-N 3.19Å; A316-I318 VanDerWaalsContact C-N 3.34Å; A316-I318 PolarHBondContact O-N 3.46Å; A316-W319 WeakPolarHBondContact O-CA 3.35Å; A316-W319 VanDerWaalsContact O-CB 3.28Å; A316-W319 WeakPolarHBondContact O-CB 3.17Å; A316-W319 PolarHBondContact O-N 2.62Å; A316-W319 VanDerWaalsContact O-N 3.13Å; A316-E320 WeakPolarHBondContact O-CG 3.4Å; A316-E320 PolarHBondContact O-N 3.29Å
317R81.3Confident79.4Confident84 Ų8459.9 Ų59.932%0.31736%0.356SS..Hα-helixtrans-64.4-34.4176-167.6171.9-161-161.83.1114A313 T314 L315 L321 Q354A313-R317 WeakPolarHBondContact O-CB 3.37Å; A313-R317 PolarHBondContact O-N 2.97Å; T314-R317 PolarHBondContact O-N 3.1Å; L315-R317 VanDerWaalsContact C-N 3.29Å; L315-R317 PolarHBondContact O-N 2.9Å; R317-L321 HydrophobicContact CG-CD1 4.31Å; R317-L321 WeakPolarHBondContact O-CB 3.32Å; R317-L321 WeakPolarHBondContact O-CD1 3.34Å; R317-L321 VanDerWaalsContact O-CG 3.22Å; R317-L321 WeakPolarHBondContact O-CG 3.49Å; R317-L321 PolarHBondContact O-N 2.85Å; R317-Q354 VanDerWaalsContact NH1-OE1 3.13Å; R317-Q354 VanDerWaalsContact NH2-NE2 3.16Å
318I82.9Confident79.2Confident0 Ų054.5 Ų54.50%035%0.345CS..Hα-helixtrans-71.2-34.8174.2-69166.7000110.6T314 L315 A316 L321 C322 A338 L341 I342 P352T314-I318 HydrophobicContact CG2-CD1 4.29Å; T314-I318 WeakPolarHBondContact O-CG1 3.47Å; T314-I318 PolarHBondContact O-N 2.82Å; L315-I318 PolarHBondContact O-N 3.44Å; L315-I318 VanDerWaalsContact O-N 3.15Å; A316-I318 VanDerWaalsContact C-N 3.34Å; A316-I318 PolarHBondContact O-N 3.46Å; I318-L321 PolarHBondContact O-N 3.33Å; I318-C322 PolarHBondContact O-N 2.94Å; I318-A338 HydrophobicContact CG2-CB 4.07Å; I318-L341 HydrophobicContact CD1-CB 4.38Å; I318-L341 HydrophobicContact CG1-CB 4.36Å; I318-L341 HydrophobicContact CG2-CB 3.77Å; I318-L341 HydrophobicContact CG2-CD1 4.11Å; I318-I342 HydrophobicContact CD1-CG1 3.81Å; I318-I342 HydrophobicContact CG2-CG1 4.19Å; I318-P352 HydrophobicContact CD1-CB 4.32Å; I318-P352 HydrophobicContact CD1-CG 4.3Å; I318-P352 HydrophobicContact CG1-CB 3.73Å; I318-P352 HydrophobicContact CG1-CG 3.85Å
319W84.8Confident79.4Confident39 Ų3955 Ų5515%0.14834%0.344CS..Hα-helixtrans-60.6-56.2171.5-175.9-82.9000111.7V301 F305 L315 A316 L321 C322 D323 L330V301-W319 HydrophobicContact CB-CZ3 4Å; V301-W319 HydrophobicContact CG1-CE3 3.92Å; V301-W319 HydrophobicContact CG1-CH2 3.67Å; V301-W319 HydrophobicContact CG1-CZ3 3.15Å; V301-W319 HydrophobicContact CG2-CZ3 4.05Å; F305-W319 HydrophobicContact CE2-CE3 4.12Å; L315-W319 PolarHBondContact O-N 2.96Å; A316-W319 WeakPolarHBondContact O-CA 3.35Å; A316-W319 VanDerWaalsContact O-CB 3.28Å; A316-W319 WeakPolarHBondContact O-CB 3.17Å; A316-W319 PolarHBondContact O-N 2.62Å; A316-W319 VanDerWaalsContact O-N 3.13Å; W319-L321 PolarHBondContact O-N 2.72Å; W319-L321 VanDerWaalsContact O-N 3.13Å; W319-C322 CarbonylContact O-C 3.59Å; W319-C322 PolarHBondContact O-N 3.36Å; W319-D323 PolarHBondContact NE1-OD2 3.07Å; W319-D323 WeakPolarHBondContact O-CB 3.39Å; W319-D323 PolarHBondContact O-N 3.28Å; W319-L330 HydrophobicContact CD2-CD1 4.32Å; W319-L330 HydrophobicContact CD2-CG 4.3Å; W319-L330 HydrophobicContact CE3-CD1 3.63Å; W319-L330 HydrophobicContact CE3-CG 3.93Å; W319-L330 HydrophobicContact CH2-CB 4.22Å; W319-L330 HydrophobicContact CH2-CD1 4.02Å; W319-L330 HydrophobicContact CH2-CD2 4.43Å; W319-L330 HydrophobicContact CH2-CG 3.51Å; W319-L330 HydrophobicContact CZ2-CD2 4.34Å; W319-L330 HydrophobicContact CZ2-CG 3.88Å; W319-L330 HydrophobicContact CZ3-CB 4.39Å; W319-L330 HydrophobicContact CZ3-CD1 3.41Å; W319-L330 VanDerWaalsContact CZ3-CD1 3.41Å; W319-L330 HydrophobicContact CZ3-CD2 4.49Å; W319-L330 HydrophobicContact CZ3-CG 3.47Å; W319-L330 VanDerWaalsContact CZ3-CG 3.47Å
320E81.8Confident79.8Confident127 Ų12751.8 Ų51.859%0.59331%0.311SS*.Hα-helixtrans-53.5-32.2177.4-69.2160.3-167.200113.1A316A316-E320 WeakPolarHBondContact O-CG 3.4Å; A316-E320 PolarHBondContact O-N 3.29Å
321L79.5Confident79.9Confident25 Ų2552.8 Ų52.813%0.13132%0.318CS..Hα-helixtrans-78.5-21176.9-74.6166.1000113.7R317 I318 W319 P352 P353 L356R317-L321 HydrophobicContact CG-CD1 4.31Å; R317-L321 WeakPolarHBondContact O-CB 3.32Å; R317-L321 WeakPolarHBondContact O-CD1 3.34Å; R317-L321 VanDerWaalsContact O-CG 3.22Å; R317-L321 WeakPolarHBondContact O-CG 3.49Å; R317-L321 PolarHBondContact O-N 2.85Å; I318-L321 PolarHBondContact O-N 3.33Å; W319-L321 PolarHBondContact O-N 2.72Å; W319-L321 VanDerWaalsContact O-N 3.13Å; L321-P352 HydrophobicContact CD1-CB 4.06Å; L321-P353 WeakPolarHBondContact CD1-O 3.45Å; L321-L356 HydrophobicContact CB-CD2 4.43Å; L321-L356 WeakPolarHBondContact O-CD1 3.43Å; L321-L356 WeakPolarHBondContact O-CG 3.29Å
322C79.5Confident79.8Confident0 Ų053.4 Ų53.40%031%0.31CS..Hα-helixtrans-106.7-20.9-177.5-69.80000113.9I318 W319 I324 L330 Q334 A338I318-C322 PolarHBondContact O-N 2.94Å; W319-C322 CarbonylContact O-C 3.59Å; W319-C322 PolarHBondContact O-N 3.36Å; C322-I324 PolarHBondContact O-N 2.94Å; C322-L330 HydrophobicContact CB-CD1 4.34Å; C322-L330 HydrophobicContact CB-CD2 4.19Å; C322-Q334 VanDerWaalsContact O-CB 3.32Å; C322-Q334 WeakPolarHBondContact O-CB 3.43Å; C322-Q334 VanDerWaalsContact O-CG 3.25Å; C322-Q334 WeakPolarHBondContact O-CG 3.47Å; C322-A338 HydrophobicContact CB-CB 3.99Å
323D81.7Confident79.9Confident10 Ų1052.3 Ų52.35%0.05330%0.297CS..  trans-7766.8173.4-160.8-17.5000109.9W319 G325 D326 M327 G328 L330W319-D323 PolarHBondContact NE1-OD2 3.07Å; W319-D323 WeakPolarHBondContact O-CB 3.39Å; W319-D323 PolarHBondContact O-N 3.28Å; D323-G325 PolarHBondContact O-N 3.04Å; D323-D326 PolarHBondContact O-N 2.96Å; D323-D326 VanDerWaalsContact O-N 3.12Å; D323-M327 PolarHBondContact OD1-N 3.49Å; D323-G328 WeakPolarHBondContact OD2-CA 3.46Å; D323-G328 PolarHBondContact OD2-N 2.94Å; D323-L330 VanDerWaalsContact CA-CD2 3.46Å; D323-L330 HydrophobicContact CB-CD2 3.71Å
324I71.9Confident80Confident63 Ų6348.6 Ų48.632%0.32327%0.265SS..THydrogen-bonded Turntrans-71.981.1-175.7-54.2175.8000108.8C322 L356 I361C322-I324 PolarHBondContact O-N 2.94Å; I324-L356 HydrophobicContact CD1-CD1 3.93Å; I324-L356 HydrophobicContact CG1-CD1 4.49Å; I324-I361 HydrophobicContact CD1-CG1 4.37Å; I324-I361 HydrophobicContact CD1-CG2 4.12Å
325G68.2Low80.1Confident61 Ų6147.3 Ų47.363%0.62926%0.258SS*.THydrogen-bonded Turntrans144.6-2.9-176.700000115.3D323 M327D323-G325 PolarHBondContact O-N 3.04Å; G325-M327 PolarHBondContact O-N 2.76Å
326D72.5Confident80.1Confident148 Ų14846.8 Ų46.879%0.79126%0.255SS*.SBendtrans51.840.5-172.3-71.1-39.9000112.4D323D323-D326 PolarHBondContact O-N 2.96Å; D323-D326 VanDerWaalsContact O-N 3.12Å
327M74.5Confident80.1Confident107 Ų10744.8 Ų44.853%0.52724%0.238SC..  trans-79.5-19.5-174.8-61.7-170.8-63.100113D323 G325 K329 T331D323-M327 PolarHBondContact OD1-N 3.49Å; G325-M327 PolarHBondContact O-N 2.76Å; M327-K329 PolarHBondContact O-N 3.22Å; M327-K329 VanDerWaalsContact O-N 3.12Å; M327-T331 HydrophobicContact CE-CG2 4.22Å
328G75.5Confident80.2Confident42 Ų4240.8 Ų40.843%0.43322%0.223SC..SBendtrans74.7-7-17900000114.9G298 D323G298-G328 PolarHBondContact N-O 2.85Å; D323-G328 WeakPolarHBondContact OD2-CA 3.46Å; D323-G328 PolarHBondContact OD2-N 2.94Å
329K82.6Confident80.3Confident48 Ų4841.3 Ų41.321%0.20923%0.226CC..EExtended strand (participates in β ladder)trans-124.5134.4164.3-63.1-154.4170.2-164.50109.2D291 D293 L295 V296 M327D291-K329 IonicContact OD2-NZ 2.72Å; D291-K329 PolarHBondContact OD2-NZ 3.32Å; D293-K329 IonicContact OD1-NZ 2.82Å; D293-K329 PolarHBondContact OD1-NZ 3.34Å; D293-K329 VanDerWaalsContact OD1-NZ 3.16Å; D293-K329 IonicContact OD2-NZ 2.72Å; D293-K329 PolarHBondContact OD2-NZ 2.86Å; L295-K329 HydrophobicContact CB-CB 3.89Å; L295-K329 HydrophobicContact CB-CD 3.64Å; L295-K329 HydrophobicContact CB-CG 4.43Å; L295-K329 HydrophobicContact CD1-CB 4.23Å; L295-K329 HydrophobicContact CD1-CD 3.92Å; L295-K329 HydrophobicContact CG-CD 4.43Å; V296-K329 CarbonylContact O-C 3.59Å; V296-K329 VanDerWaalsContact O-CA 3.29Å; V296-K329 WeakPolarHBondContact O-CA 3.44Å; M327-K329 PolarHBondContact O-N 3.22Å; M327-K329 VanDerWaalsContact O-N 3.12Å
330L84.1Confident80.1Confident0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-84.7137.3171.9-65.3-176.1000110.9V296 W319 C322 D323 Q334 F335 A338V296-L330 PolarHBondContact N-O 3.36Å; V296-L330 PolarHBondContact O-N 3.22Å; W319-L330 HydrophobicContact CD2-CD1 4.32Å; W319-L330 HydrophobicContact CD2-CG 4.3Å; W319-L330 HydrophobicContact CE3-CD1 3.63Å; W319-L330 HydrophobicContact CE3-CG 3.93Å; W319-L330 HydrophobicContact CH2-CB 4.22Å; W319-L330 HydrophobicContact CH2-CD1 4.02Å; W319-L330 HydrophobicContact CH2-CD2 4.43Å; W319-L330 HydrophobicContact CH2-CG 3.51Å; W319-L330 HydrophobicContact CZ2-CD2 4.34Å; W319-L330 HydrophobicContact CZ2-CG 3.88Å; W319-L330 HydrophobicContact CZ3-CB 4.39Å; W319-L330 HydrophobicContact CZ3-CD1 3.41Å; W319-L330 VanDerWaalsContact CZ3-CD1 3.41Å; W319-L330 HydrophobicContact CZ3-CD2 4.49Å; W319-L330 HydrophobicContact CZ3-CG 3.47Å; W319-L330 VanDerWaalsContact CZ3-CG 3.47Å; C322-L330 HydrophobicContact CB-CD1 4.34Å; C322-L330 HydrophobicContact CB-CD2 4.19Å; D323-L330 VanDerWaalsContact CA-CD2 3.46Å; D323-L330 HydrophobicContact CB-CD2 3.71Å; L330-Q334 HydrophobicContact CB-CB 4.21Å; L330-Q334 HydrophobicContact CD2-CB 4.08Å; L330-F335 HydrophobicContact CB-CB 4.21Å; L330-F335 HydrophobicContact CD1-CB 4.44Å; L330-A338 HydrophobicContact CD1-CB 3.97Å
331T84Confident80Confident40 Ų4034.9 Ų34.925%0.24520%0.197CC..EExtended strand (participates in β ladder)trans-68.9161.3164.764.20000111.2L295 M327 E333 Q334 F335L295-T331 HydrophobicContact CD2-CG2 3.8Å; M327-T331 HydrophobicContact CE-CG2 4.22Å; T331-E333 PolarHBondContact O-N 3.43Å; T331-E333 VanDerWaalsContact O-N 3.13Å; T331-Q334 PolarHBondContact O-N 2.89Å; T331-Q334 VanDerWaalsContact OG1-CG 3.29Å; T331-Q334 WeakPolarHBondContact OG1-CG 2.98Å; T331-Q334 PolarHBondContact OG1-N 3.03Å; T331-Q334 PolarHBondContact OG1-OE1 2.82Å; T331-F335 WeakPolarHBondContact O-CB 3.24Å; T331-F335 PolarHBondContact O-N 3.05Å
332R82.3Confident80.2Confident93 Ų9333.9 Ų33.935%0.35119%0.191SC..Hα-helixtrans-51-35176.2-170.5176.9178.2111.1-5.4114.6D282 F285 S286 A336D282-R332 VanDerWaalsContact CB-NH2 3.32Å; D282-R332 IonicContact OD1-NE 2.69Å; D282-R332 IonicContact OD2-CZ 2.71Å; D282-R332 VanDerWaalsContact OD2-CZ 3.3Å; D282-R332 IonicContact OD2-NE 3.16Å; D282-R332 PolarHBondContact OD2-NE 3Å; D282-R332 IonicContact OD2-NH2 2.61Å; D282-R332 PolarHBondContact OD2-NH2 3.3Å; F285-R332 HydrophobicContact CD1-CB 4.29Å; F285-R332 HydrophobicContact CD1-CG 3.99Å; F285-R332 HydrophobicContact CD2-CB 4.23Å; F285-R332 HydrophobicContact CD2-CG 4.32Å; F285-R332 HydrophobicContact CE1-CB 4.07Å; F285-R332 HydrophobicContact CE1-CG 4.25Å; F285-R332 VanDerWaalsContact CE2-CA 3.45Å; F285-R332 HydrophobicContact CE2-CB 3.99Å; F285-R332 HydrophobicContact CG-CB 4.37Å; F285-R332 HydrophobicContact CG-CG 4.04Å; F285-R332 HydrophobicContact CZ-CB 3.91Å; S286-R332 PolarHBondContact OG-NH1 3.37Å; R332-A336 WeakPolarHBondContact O-CB 3.35Å; R332-A336 PolarHBondContact O-N 3.14Å
333E81.9Confident80.2Confident51 Ų5137 Ų3724%0.23821%0.208CC..Hα-helixtrans-77.4-38.8177.7-54.6-153.2120.700112.3W271 T331 A336 L337 P362 S364W271-E333 HydrophobicContact CH2-CB 4.35Å; W271-E333 WeakPolarHBondContact CZ2-O 3.46Å; T331-E333 PolarHBondContact O-N 3.43Å; T331-E333 VanDerWaalsContact O-N 3.13Å; E333-A336 PolarHBondContact O-N 2.99Å; E333-L337 PolarHBondContact O-N 3.33Å; E333-L337 VanDerWaalsContact O-N 3.07Å; E333-P362 HydrophobicContact CB-CB 4.07Å; E333-P362 HydrophobicContact CB-CG 4.21Å; E333-S364 PolarHBondContact OE2-OG 3.44Å
334Q83.4Confident80.1Confident2 Ų238.2 Ų38.21%0.00921%0.214CC..Hα-helixtrans-71.4-37.8178-68.4161.5-18.900112C322 L330 T331 L337 A338 P362 D365C322-Q334 VanDerWaalsContact O-CB 3.32Å; C322-Q334 WeakPolarHBondContact O-CB 3.43Å; C322-Q334 VanDerWaalsContact O-CG 3.25Å; C322-Q334 WeakPolarHBondContact O-CG 3.47Å; L330-Q334 HydrophobicContact CB-CB 4.21Å; L330-Q334 HydrophobicContact CD2-CB 4.08Å; T331-Q334 PolarHBondContact O-N 2.89Å; T331-Q334 VanDerWaalsContact OG1-CG 3.29Å; T331-Q334 WeakPolarHBondContact OG1-CG 2.98Å; T331-Q334 PolarHBondContact OG1-N 3.03Å; T331-Q334 PolarHBondContact OG1-OE1 2.82Å; Q334-L337 WeakPolarHBondContact O-CB 3.33Å; Q334-L337 PolarHBondContact O-N 3.45Å; Q334-A338 PolarHBondContact O-N 2.96Å; Q334-P362 HydrophobicContact CG-CG 4.2Å; Q334-D365 PolarHBondContact NE2-OD2 3.05Å
335F84.8Confident80.4Confident0 Ų037 Ų370%021%0.206CC..Hα-helixtrans-62.9-41.4172179.5-89.2000112F285 T288 V296 V301 F305 L330 T331 L337 A338 L339F285-F335 HydrophobicContact CB-CD1 3.8Å; F285-F335 HydrophobicContact CB-CE1 3.7Å; F285-F335 HydrophobicContact CB-CZ 4.47Å; F285-F335 HydrophobicContact CD2-CB 3.72Å; F285-F335 AromaticContact CD2-CD1 3.61Å; F285-F335 HydrophobicContact CD2-CD1 3.61Å; F285-F335 HydrophobicContact CD2-CD2 4.14Å; F285-F335 HydrophobicContact CD2-CE1 4.13Å; F285-F335 AromaticContact CD2-CG 3.6Å; F285-F335 HydrophobicContact CD2-CG 3.6Å; F285-F335 HydrophobicContact CE2-CB 4.08Å; F285-F335 HydrophobicContact CE2-CG 4.32Å; F285-F335 HydrophobicContact CG-CD1 4.22Å; F285-F335 HydrophobicContact CG-CE1 4.43Å; T288-F335 HydrophobicContact CG2-CE2 4.27Å; T288-F335 HydrophobicContact CG2-CZ 4.46Å; V296-F335 HydrophobicContact CB-CD2 4.23Å; V296-F335 HydrophobicContact CB-CE2 4.42Å; V296-F335 HydrophobicContact CG1-CD2 4.25Å; V296-F335 HydrophobicContact CG1-CE2 4.08Å; V296-F335 HydrophobicContact CG2-CD2 4.45Å; V296-F335 HydrophobicContact CG2-CE2 4.41Å; V301-F335 HydrophobicContact CB-CE2 4.25Å; V301-F335 HydrophobicContact CG2-CD2 4.1Å; V301-F335 HydrophobicContact CG2-CE2 3.7Å; F305-F335 HydrophobicContact CE1-CE2 4.49Å; L330-F335 HydrophobicContact CB-CB 4.21Å; L330-F335 HydrophobicContact CD1-CB 4.44Å; T331-F335 WeakPolarHBondContact O-CB 3.24Å; T331-F335 PolarHBondContact O-N 3.05Å; F335-L337 VanDerWaalsContact C-N 3.31Å; F335-L337 PolarHBondContact O-N 3.12Å; F335-A338 PolarHBondContact O-N 3.47Å; F335-L339 HydrophobicContact CD1-CD1 3.73Å; F335-L339 HydrophobicContact CD1-CG 4.39Å; F335-L339 HydrophobicContact CE1-CD1 3.25Å; F335-L339 HydrophobicContact CE1-CG 4.17Å; F335-L339 HydrophobicContact CZ-CD1 3.85Å; F335-L339 PolarHBondContact O-N 2.91Å
336A83.6Confident80.8Confident0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-64.2-34.5173.700000112.5W271 K278 Y281 R332 E333 Y340W271-A336 HydrophobicContact CH2-CB 4.17Å; K278-A336 HydrophobicContact CG-CB 4.45Å; Y281-A336 HydrophobicContact CD2-CB 4.26Å; Y281-A336 WeakPolarHBondContact CD2-O 3.45Å; R332-A336 WeakPolarHBondContact O-CB 3.35Å; R332-A336 PolarHBondContact O-N 3.14Å; E333-A336 PolarHBondContact O-N 2.99Å; A336-Y340 VanDerWaalsContact O-CB 3.31Å; A336-Y340 WeakPolarHBondContact O-CB 3.5Å; A336-Y340 PolarHBondContact O-N 2.93Å
337L81Confident80.8Confident0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-68.8-41.6172.3-174.863.5000112.3W271 V273 E333 Q334 F335 Y340 L341 L356 M360W271-L337 HydrophobicContact CZ2-CB 4.24Å; V273-L337 HydrophobicContact CG2-CD1 4.18Å; E333-L337 PolarHBondContact O-N 3.33Å; E333-L337 VanDerWaalsContact O-N 3.07Å; Q334-L337 WeakPolarHBondContact O-CB 3.33Å; Q334-L337 PolarHBondContact O-N 3.45Å; F335-L337 VanDerWaalsContact C-N 3.31Å; F335-L337 PolarHBondContact O-N 3.12Å; L337-Y340 WeakPolarHBondContact O-CB 3.46Å; L337-Y340 PolarHBondContact O-N 3.37Å; L337-L341 WeakPolarHBondContact O-CG 3.47Å; L337-L341 PolarHBondContact O-N 3.15Å; L337-L356 HydrophobicContact CD2-CD1 3.66Å; L337-L356 HydrophobicContact CD2-CD2 4.4Å; L337-M360 WeakPolarHBondContact CD1-O 3.36Å; L337-M360 VanDerWaalsContact CD2-O 3.32Å; L337-M360 WeakPolarHBondContact CD2-O 3.44Å
338A84.8Confident80.5Confident0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-64.7-45.417800000111.9F305 I318 C322 L330 Q334 F335 Y340 L341 I342F305-A338 HydrophobicContact CE2-CB 4.01Å; F305-A338 HydrophobicContact CZ-CB 3.59Å; I318-A338 HydrophobicContact CG2-CB 4.07Å; C322-A338 HydrophobicContact CB-CB 3.99Å; L330-A338 HydrophobicContact CD1-CB 3.97Å; Q334-A338 PolarHBondContact O-N 2.96Å; F335-A338 PolarHBondContact O-N 3.47Å; A338-Y340 VanDerWaalsContact C-N 3.33Å; A338-Y340 PolarHBondContact O-N 2.61Å; A338-L341 PolarHBondContact O-N 3.43Å; A338-I342 WeakPolarHBondContact O-CG1 3.36Å; A338-I342 PolarHBondContact O-N 3.17Å
339L83.9Confident79.9Confident11 Ų1137 Ų376%0.05819%0.192CC..Hα-helixtrans-62.9-37.8172.5-77.3176.2000112.5Y281 L284 F305 F335 I342 N343Y281-L339 HydrophobicContact CD1-CB 3.8Å; Y281-L339 HydrophobicContact CD1-CD1 3.77Å; Y281-L339 HydrophobicContact CD1-CG 4.42Å; Y281-L339 HydrophobicContact CD2-CB 4.18Å; Y281-L339 HydrophobicContact CE1-CB 4.01Å; Y281-L339 HydrophobicContact CE2-CB 4.38Å; Y281-L339 HydrophobicContact CG-CB 3.91Å; Y281-L339 HydrophobicContact CG-CD1 3.98Å; L284-L339 HydrophobicContact CD2-CD1 3.86Å; L284-L339 HydrophobicContact CD2-CD2 4.4Å; L284-L339 HydrophobicContact CG-CD1 4.45Å; F305-L339 HydrophobicContact CD1-CD2 4.06Å; F305-L339 HydrophobicContact CE1-CD2 3.59Å; F305-L339 HydrophobicContact CE1-CG 3.94Å; F335-L339 HydrophobicContact CD1-CD1 3.73Å; F335-L339 HydrophobicContact CD1-CG 4.39Å; F335-L339 HydrophobicContact CE1-CD1 3.25Å; F335-L339 HydrophobicContact CE1-CG 4.17Å; F335-L339 HydrophobicContact CZ-CD1 3.85Å; F335-L339 PolarHBondContact O-N 2.91Å; L339-I342 PolarHBondContact O-N 2.79Å; L339-N343 VanDerWaalsContact O-CB 3.29Å; L339-N343 WeakPolarHBondContact O-CB 3.22Å; L339-N343 PolarHBondContact O-N 2.71Å
340Y81.8Confident79.1Confident29 Ų2940 Ų4011%0.11421%0.21CC..Hα-helixtrans-61.4-44.7172.7-177.2-86.3000111.8V272 V273 Y281 A336 L337 A338 N343 L344V272-Y340 HydrophobicContact CG1-CE1 3.66Å; V272-Y340 WeakPolarHBondContact O-CE2 3.28Å; V272-Y340 PolarHBondContact O-OH 3.34Å; V273-Y340 HydrophobicContact CB-CD2 4.32Å; V273-Y340 HydrophobicContact CG1-CD2 4.24Å; V273-Y340 HydrophobicContact CG2-CD2 4.1Å; V273-Y340 HydrophobicContact CG2-CG 3.89Å; Y281-Y340 HydrophobicContact CE2-CD2 4.44Å; A336-Y340 VanDerWaalsContact O-CB 3.31Å; A336-Y340 WeakPolarHBondContact O-CB 3.5Å; A336-Y340 PolarHBondContact O-N 2.93Å; L337-Y340 WeakPolarHBondContact O-CB 3.46Å; L337-Y340 PolarHBondContact O-N 3.37Å; A338-Y340 VanDerWaalsContact C-N 3.33Å; A338-Y340 PolarHBondContact O-N 2.61Å; Y340-N343 PolarHBondContact O-N 3.4Å; Y340-L344 HydrophobicContact CE1-CB 4.48Å; Y340-L344 HydrophobicContact CE1-CD2 4.24Å; Y340-L344 VanDerWaalsContact O-CB 3.24Å; Y340-L344 WeakPolarHBondContact O-CB 3.32Å; Y340-L344 PolarHBondContact O-N 2.91Å
341L79.5Confident78.1Confident3 Ų345.4 Ų45.42%0.01624%0.238CC..Hα-helixtrans-64.2-40.5177-78174.2000112.8I318 L337 A338 L344 K345 L356 M360I318-L341 HydrophobicContact CD1-CB 4.38Å; I318-L341 HydrophobicContact CG1-CB 4.36Å; I318-L341 HydrophobicContact CG2-CB 3.77Å; I318-L341 HydrophobicContact CG2-CD1 4.11Å; L337-L341 WeakPolarHBondContact O-CG 3.47Å; L337-L341 PolarHBondContact O-N 3.15Å; A338-L341 PolarHBondContact O-N 3.43Å; L341-L344 HydrophobicContact CD2-CD2 4.43Å; L341-L344 PolarHBondContact O-N 2.98Å; L341-K345 WeakPolarHBondContact O-CB 3.35Å; L341-K345 PolarHBondContact O-N 3.03Å; L341-L356 HydrophobicContact CD1-CD2 4.26Å; L341-M360 HydrophobicContact CD2-CE 3.67Å
342I82.4Confident77.1Confident4 Ų444 Ų442%0.02123%0.23CC..Hα-helixtrans-61.6-48.4173.9-73.3166.1000110.6F305 T308 L310 L315 I318 A338 L339 L344 K345 L346F305-I342 HydrophobicContact CB-CD1 4.2Å; F305-I342 HydrophobicContact CD1-CD1 3.5Å; F305-I342 VanDerWaalsContact CD1-CD1 3.5Å; F305-I342 HydrophobicContact CD2-CD1 3.54Å; F305-I342 HydrophobicContact CE1-CD1 3.66Å; F305-I342 HydrophobicContact CE2-CD1 3.68Å; F305-I342 HydrophobicContact CG-CD1 3.45Å; F305-I342 VanDerWaalsContact CG-CD1 3.45Å; F305-I342 HydrophobicContact CZ-CD1 3.75Å; T308-I342 HydrophobicContact CG2-CG2 3.81Å; T308-I342 VanDerWaalsContact OG1-CG2 3.25Å; T308-I342 WeakPolarHBondContact OG1-CG2 3.35Å; L310-I342 HydrophobicContact CD1-CB 4.31Å; L310-I342 HydrophobicContact CD1-CG1 4.26Å; L310-I342 HydrophobicContact CD1-CG2 3.92Å; L315-I342 HydrophobicContact CD2-CD1 3.76Å; L315-I342 HydrophobicContact CD2-CG1 3.87Å; I318-I342 HydrophobicContact CD1-CG1 3.81Å; I318-I342 HydrophobicContact CG2-CG1 4.19Å; A338-I342 WeakPolarHBondContact O-CG1 3.36Å; A338-I342 PolarHBondContact O-N 3.17Å; L339-I342 PolarHBondContact O-N 2.79Å; I342-L344 VanDerWaalsContact C-N 3.33Å; I342-L344 PolarHBondContact O-N 3.27Å; I342-K345 PolarHBondContact O-N 3.5Å; I342-L346 HydrophobicContact CG2-CD1 3.9Å; I342-L346 WeakPolarHBondContact O-CG 3.42Å; I342-L346 PolarHBondContact O-N 3.37Å
343N79.5Confident76.1Confident64 Ų6441.7 Ų41.734%0.34223%0.227SC..Hα-helixtrans-64.9-36.9178.1-166.25.8000111.6Y281 L339 Y340 L346 T347Y281-N343 PolarHBondContact OH-ND2 3.1Å; L339-N343 VanDerWaalsContact O-CB 3.29Å; L339-N343 WeakPolarHBondContact O-CB 3.22Å; L339-N343 PolarHBondContact O-N 2.71Å; Y340-N343 PolarHBondContact O-N 3.4Å; N343-L346 PolarHBondContact O-N 3.2Å; N343-T347 WeakPolarHBondContact O-CB 3.07Å; N343-T347 WeakPolarHBondContact O-CG2 3.4Å; N343-T347 PolarHBondContact O-N 2.85Å; N343-T347 PolarHBondContact O-OG1 3.45Å; N343-T347 VanDerWaalsContact OD1-CG2 3.27Å; N343-T347 WeakPolarHBondContact OD1-CG2 3.45Å
344L79.1Confident74.9Confident37 Ų3746 Ų4619%0.19425%0.247CC..Hα-helixtrans-63.8-43.7174.3-172.270.8000111.8Y340 L341 I342 K348Y340-L344 HydrophobicContact CE1-CB 4.48Å; Y340-L344 HydrophobicContact CE1-CD2 4.24Å; Y340-L344 VanDerWaalsContact O-CB 3.24Å; Y340-L344 WeakPolarHBondContact O-CB 3.32Å; Y340-L344 PolarHBondContact O-N 2.91Å; L341-L344 HydrophobicContact CD2-CD2 4.43Å; L341-L344 PolarHBondContact O-N 2.98Å; I342-L344 VanDerWaalsContact C-N 3.33Å; I342-L344 PolarHBondContact O-N 3.27Å; L344-K348 HydrophobicContact CD1-CD 3.64Å; L344-K348 HydrophobicContact CD1-CG 4.31Å; L344-K348 WeakPolarHBondContact O-CB 3.33Å; L344-K348 PolarHBondContact O-N 3.29Å
345K78.4Confident73.6Confident36 Ų3650.9 Ų50.916%0.15728%0.277CS..Hα-helixtrans-63.4-42.4175.4177.962.4-174.8179.30111.6L310 L341 I342 G349 L350 D351L310-K345 HydrophobicContact CD1-CB 4.13Å; L310-K345 HydrophobicContact CD1-CG 3.97Å; L310-K345 HydrophobicContact CD2-CG 3.8Å; L341-K345 WeakPolarHBondContact O-CB 3.35Å; L341-K345 PolarHBondContact O-N 3.03Å; I342-K345 PolarHBondContact O-N 3.5Å; K345-G349 PolarHBondContact NZ-O 2.93Å; K345-G349 WeakPolarHBondContact O-CA 3.27Å; K345-G349 PolarHBondContact O-N 3.45Å; K345-L350 WeakPolarHBondContact CD-O 3.41Å; K345-D351 WeakPolarHBondContact CE-OD1 3.41Å; K345-D351 IonicContact NZ-OD1 2.67Å; K345-D351 PolarHBondContact NZ-OD1 2.69Å; K345-D351 IonicContact NZ-OD2 2.73Å; K345-D351 PolarHBondContact NZ-OD2 2.98Å
346L77Confident72.6Confident89 Ų8952.2 Ų52.247%0.46628%0.284SS..Hα-helixtrans-70-43.7179.5-73.7166.1000113.2L310 I342 N343L310-L346 HydrophobicContact CD1-CG 4.29Å; L310-L346 HydrophobicContact CD2-CD2 3.6Å; L310-L346 HydrophobicContact CD2-CG 3.98Å; L310-L346 HydrophobicContact CG-CD2 3.98Å; L310-L346 HydrophobicContact CG-CG 4.09Å; I342-L346 HydrophobicContact CG2-CD1 3.9Å; I342-L346 WeakPolarHBondContact O-CG 3.42Å; I342-L346 PolarHBondContact O-N 3.37Å; N343-L346 PolarHBondContact O-N 3.2Å
347T73.3Confident71.3Confident94 Ų9454.9 Ų54.958%0.57730%0.303SS*.Hα-helixtrans-86-26-173.656.40000114.4N343N343-T347 WeakPolarHBondContact O-CB 3.07Å; N343-T347 WeakPolarHBondContact O-CG2 3.4Å; N343-T347 PolarHBondContact O-N 2.85Å; N343-T347 PolarHBondContact O-OG1 3.45Å; N343-T347 VanDerWaalsContact OD1-CG2 3.27Å; N343-T347 WeakPolarHBondContact OD1-CG2 3.45Å
348K68.1Low69.9Low132 Ų13261.3 Ų61.357%0.57434%0.337SS*.Hα-helixtrans-120.4-4.1-177.8-54.6-174-164.5160.50114L344 L350L344-K348 HydrophobicContact CD1-CD 3.64Å; L344-K348 HydrophobicContact CD1-CG 4.31Å; L344-K348 WeakPolarHBondContact O-CB 3.33Å; L344-K348 PolarHBondContact O-N 3.29Å; K348-L350 HydrophobicContact CB-CD1 4.35Å; K348-L350 HydrophobicContact CB-CG 4.29Å; K348-L350 PolarHBondContact O-N 2.93Å
349G63.3Low68.5Low45 Ų4565.1 Ų65.146%0.46436%0.355SS..  trans72-12.5179.500000115.6K345 D351K345-G349 PolarHBondContact NZ-O 2.93Å; K345-G349 WeakPolarHBondContact O-CA 3.27Å; K345-G349 PolarHBondContact O-N 3.45Å; G349-D351 PolarHBondContact O-N 3.37Å
350L65.6Low67.4Low111 Ų11165.7 Ų65.758%0.58136%0.357SS*.PPolyproline II helixtrans-66128.4-175.8-62.3175000111.6K345 K348K345-L350 WeakPolarHBondContact CD-O 3.41Å; K348-L350 HydrophobicContact CB-CD1 4.35Å; K348-L350 HydrophobicContact CB-CG 4.29Å; K348-L350 PolarHBondContact O-N 2.93Å
351D61.6Low66.7Low112 Ų11266 Ų6660%0.59936%0.361SS*.PPolyproline II helixtrans-62.1145.2174.6-74.8-72.1000112.7K345 G349K345-D351 WeakPolarHBondContact CE-OD1 3.41Å; K345-D351 IonicContact NZ-OD1 2.67Å; K345-D351 PolarHBondContact NZ-OD1 2.69Å; K345-D351 IonicContact NZ-OD2 2.73Å; K345-D351 PolarHBondContact NZ-OD2 2.98Å; G349-D351 PolarHBondContact O-N 3.37Å
352P62.8Low65.9Low10 Ų1065.9 Ų65.97%0.06536%0.36CS..PPolyproline II helixtrans-59.7138.7177.826.8-35.3000110T314 I318 L321T314-P352 HydrophobicContact CG2-CG 4.24Å; I318-P352 HydrophobicContact CD1-CB 4.32Å; I318-P352 HydrophobicContact CD1-CG 4.3Å; I318-P352 HydrophobicContact CG1-CB 3.73Å; I318-P352 HydrophobicContact CG1-CG 3.85Å; L321-P352 HydrophobicContact CD1-CB 4.06Å
353P61.8Low64.9Low45 Ų4569.1 Ų69.129%0.29238%0.381SS..PPolyproline II helixtrans-64.7147-171.428-35.7000111.4L321 T355 M360L321-P353 WeakPolarHBondContact CD1-O 3.45Å; P353-T355 PolarHBondContact O-N 2.87Å; P353-M360 HydrophobicContact CG-CE 3.93Å; P353-M360 HydrophobicContact CG-SD 4.19Å
354Q56.4Low64Low141 Ų14170 Ų7066%0.65939%0.392SS*.SBendtrans-58.1-26.1-175.3-151.180-6.200113.5R317R317-Q354 VanDerWaalsContact NH1-OE1 3.13Å; R317-Q354 VanDerWaalsContact NH2-NE2 3.16Å
355T56.8Low63Low106 Ų10671 Ų7165%0.6540%0.398SS*.SBendtrans-149148.3173.650.90000108.4P353P353-T355 PolarHBondContact O-N 2.87Å
356L63.2Low62.2Low27 Ų2772.4 Ų72.414%0.14140%0.402CS..  trans-66.8140.5171.1-67.5-171.9000111L321 I324 L337 L341 M360 I361L321-L356 HydrophobicContact CB-CD2 4.43Å; L321-L356 WeakPolarHBondContact O-CD1 3.43Å; L321-L356 WeakPolarHBondContact O-CG 3.29Å; I324-L356 HydrophobicContact CD1-CD1 3.93Å; I324-L356 HydrophobicContact CG1-CD1 4.49Å; L337-L356 HydrophobicContact CD2-CD1 3.66Å; L337-L356 HydrophobicContact CD2-CD2 4.4Å; L341-L356 HydrophobicContact CD1-CD2 4.26Å; L356-M360 HydrophobicContact CB-CB 4.45Å; L356-M360 HydrophobicContact CD2-CB 4.2Å; L356-M360 HydrophobicContact CD2-CE 4.05Å; L356-I361 HydrophobicContact CB-CG1 3.95Å; L356-I361 HydrophobicContact CD1-CG1 4.12Å
357S57.8Low61.2Low56 Ų5676.6 Ų76.639%0.39242%0.419SS..  trans-82.4158.9169.376.10000111.2E359 M360 I361S357-E359 PolarHBondContact O-N 3.38Å; S357-M360 PolarHBondContact O-N 3.4Å; S357-M360 WeakPolarHBondContact OG-CG 3.37Å; S357-I361 PolarHBondContact O-N 3.21Å
358L51.2Low59.8Low136 Ų13679.6 Ų79.671%0.71243%0.432SS*.THydrogen-bonded Turntrans-59-9.1177.4-88.5156000115.2R366L358-R366 PolarHBondContact O-NE 3.38Å; L358-R366 PolarHBondContact O-NH1 3.25Å
359E55.7Low58.5Low80 Ų8078.6 Ų78.637%0.37444%0.441SS..THydrogen-bonded Turntrans-96.9-21.1174.2-168.1167.2-139.600112.6A269 P270 V272 S357 R366A269-E359 HydrophobicContact CB-CG 4.02Å; P270-E359 WeakPolarHBondContact CD-OE1 3.41Å; P270-E359 VanDerWaalsContact O-CG 3.26Å; P270-E359 WeakPolarHBondContact O-CG 3.49Å; V272-E359 HydrophobicContact CG2-CG 4.05Å; S357-E359 PolarHBondContact O-N 3.38Å; E359-R366 VanDerWaalsContact C-NH2 3.32Å; E359-R366 PolarHBondContact O-NH2 3.1Å
360M60.9Low57.3Low22 Ų2286 Ų8611%0.10846%0.461CS..THydrogen-bonded Turntrans-88.4-32.9179.4-64.2174.97500113W271 V272 L337 L341 P353 L356 S357W271-M360 PolarHBondContact NE1-O 3.43Å; V272-M360 HydrophobicContact CB-CG 4.39Å; V272-M360 HydrophobicContact CG2-CG 3.75Å; L337-M360 WeakPolarHBondContact CD1-O 3.36Å; L337-M360 VanDerWaalsContact CD2-O 3.32Å; L337-M360 WeakPolarHBondContact CD2-O 3.44Å; L341-M360 HydrophobicContact CD2-CE 3.67Å; P353-M360 HydrophobicContact CG-CE 3.93Å; P353-M360 HydrophobicContact CG-SD 4.19Å; L356-M360 HydrophobicContact CB-CB 4.45Å; L356-M360 HydrophobicContact CD2-CB 4.2Å; L356-M360 HydrophobicContact CD2-CE 4.05Å; S357-M360 PolarHBondContact O-N 3.4Å; S357-M360 WeakPolarHBondContact OG-CG 3.37Å
361I65.4Low56.1Low37 Ų3789.6 Ų89.619%0.1948%0.475CS..SBendtrans-56.4133.8174.1-64.6170.8000109.6I324 L356 S357 D365 R366I324-I361 HydrophobicContact CD1-CG1 4.37Å; I324-I361 HydrophobicContact CD1-CG2 4.12Å; L356-I361 HydrophobicContact CB-CG1 3.95Å; L356-I361 HydrophobicContact CD1-CG1 4.12Å; S357-I361 PolarHBondContact O-N 3.21Å; I361-D365 HydrophobicContact CG2-CB 3.73Å; I361-R366 HydrophobicContact CB-CG 4.43Å; I361-R366 HydrophobicContact CG2-CG 4.02Å; I361-R366 VanDerWaalsContact O-CZ 3.26Å; I361-R366 PolarHBondContact O-NE 3.37Å; I361-R366 PolarHBondContact O-NH2 2.96Å
362P63.8Low54.6Low0 Ų091.6 Ų91.60%049%0.485CS..  trans-53.9147.8176.9-26.235.6000112.5W271 E333 Q334 S364 D365 R366W271-P362 HydrophobicContact CZ2-CG 4.46Å; E333-P362 HydrophobicContact CB-CB 4.07Å; E333-P362 HydrophobicContact CB-CG 4.21Å; Q334-P362 HydrophobicContact CG-CG 4.2Å; P362-S364 PolarHBondContact O-N 3.3Å; P362-S364 VanDerWaalsContact O-N 3.16Å; P362-D365 PolarHBondContact O-N 2.91Å; P362-D365 VanDerWaalsContact O-N 3.14Å; P362-R366 WeakPolarHBondContact O-CG 3.26Å
363P61.9Low53.1Low72 Ų7299.1 Ų99.147%0.46853%0.525SS..G310 helixtrans-55.3-35.8-178.3-25.735.4000113.5D365 R366P363-D365 VanDerWaalsContact C-N 3.31Å; P363-D365 PolarHBondContact O-N 3.41Å; P363-R366 PolarHBondContact O-N 2.82Å
364S59.8Low51.8Low81 Ų81100.3 Ų100.357%0.56654%0.538SS*.G310 helixtrans-53-41.8177.5-520000113.2E333 P362E333-S364 PolarHBondContact OE2-OG 3.44Å; P362-S364 PolarHBondContact O-N 3.3Å; P362-S364 VanDerWaalsContact O-N 3.16Å
365D58.2Low50.6Low60 Ų60101.4 Ų101.432%0.32155%0.549SS..G310 helixtrans-89.4-10.6-171.1-55.1-26.8000113.1Q334 I361 P362 P363 Q367Q334-D365 PolarHBondContact NE2-OD2 3.05Å; I361-D365 HydrophobicContact CG2-CB 3.73Å; P362-D365 PolarHBondContact O-N 2.91Å; P362-D365 VanDerWaalsContact O-N 3.14Å; P363-D365 VanDerWaalsContact C-N 3.31Å; P363-D365 PolarHBondContact O-N 3.41Å; D365-Q367 VanDerWaalsContact C-N 3.28Å; D365-Q367 PolarHBondContact O-N 2.92Å
366R62.2Low49.6Very low64 Ų64104.8 Ų104.824%0.24256%0.562CS.*G310 helixtrans-73.7-13-172.8-64.5-178-166.3-173.21.6114.7A269 L358 E359 I361 P362 P363A269-R366 PolarHBondContact O-NH1 3.04Å; L358-R366 PolarHBondContact O-NE 3.38Å; L358-R366 PolarHBondContact O-NH1 3.25Å; E359-R366 VanDerWaalsContact C-NH2 3.32Å; E359-R366 PolarHBondContact O-NH2 3.1Å; I361-R366 HydrophobicContact CB-CG 4.43Å; I361-R366 HydrophobicContact CG2-CG 4.02Å; I361-R366 VanDerWaalsContact O-CZ 3.26Å; I361-R366 PolarHBondContact O-NE 3.37Å; I361-R366 PolarHBondContact O-NH2 2.96Å; P362-R366 WeakPolarHBondContact O-CG 3.26Å; P363-R366 PolarHBondContact O-N 2.82Å
367Q54.6Low48.1Very low177 Ų177108.6 Ų108.683%0.82760%0.597SS**G310 helixtrans-81.3-17.6-165.2-151.571.7-16.900113.9D365D365-Q367 VanDerWaalsContact C-N 3.28Å; D365-Q367 PolarHBondContact O-N 2.92Å
368N44.1Very low47.2Very low158 Ų158110 Ų11085%0.84561%0.612SS**SBendtrans-104.532.9-161.5-159.821.5000115.3
369S40.7Very low46.5Very low110 Ų110109.9 Ų109.977%0.76961%0.612SS**  trans-150.855.7-171.2-148.10000115.9
370K39.3Very low45.9Very low200 Ų200115.1 Ų115.187%0.8763%0.634SS**  trans-145.771.1174.8-73.9-168.1179.3172.50115.5
371Q39.6Very low45.8Very low188 Ų188117.3 Ų117.388%0.87965%0.651SS**  trans-151.7162.3152.3-114.1153.9-74.400110.6
372N30.8Very low45.4Very low154 Ų154118.8 Ų118.882%0.82467%0.669SS**  trans82.679.8178.1-54.2-19.6000118.9
373N31.6Very low45.1Very low168 Ų168125.2 Ų125.290%0.89870%0.702SS**  -166166.9118.7-129.1-58000115.3
374A34.3Very low45.3Very low69 Ų69128.6 Ų128.657%0.5771%0.71SS**  trans66.6118.1172.300000117.3
375N30.4Very low45.8Very low165 Ų165129.5 Ų129.588%0.88271%0.705SS**  -159.6165.265-92.3-76.4000114.5
376L36Very low46.6Very low177 Ų177132.4 Ų132.493%0.92772%0.72SS**  trans-129.7108.5-179.3-171.783.7000111
377A31.9Very low47.2Very low107 Ų107133.8 Ų133.888%0.88473%0.732SS**  trans-160.5142.4167.500000109.9
378A38.5Very low48.6Very low84 Ų84129.1 Ų129.169%0.69472%0.715SS**  trans-104-168.8-164.100000114.9
379D36.7Very low50.4Low134 Ų134125.9 Ų125.972%0.71770%0.698SS**SBendtrans79.254.9161.2-59.1-15.6000118.8
380F43.5Very low52.5Low190 Ų190123.7 Ų123.783%0.83368%0.682SS**  trans-145.949.2131.1-89.7-69.4000109.9A382F380-A382 PolarHBondContact O-N 2.91Å
381S59.3Low54.8Low68 Ų68119.3 Ų119.348%0.47667%0.668SS.*THydrogen-bonded Turntrans-7668.5-165.1-750000115.7E385S381-E385 WeakPolarHBondContact CA-OE1 3.36Å; S381-E385 WeakPolarHBondContact CB-OE1 3.48Å; S381-E385 PolarHBondContact OG-OE1 2.77Å
382A55.4Low57.2Low68 Ų68114.9 Ų114.956%0.56265%0.648SS**THydrogen-bonded Turntrans-158.5-59.8160.500000111.4F380 L386F380-A382 PolarHBondContact O-N 2.91Å; A382-L386 WeakPolarHBondContact O-CB 3.37Å; A382-L386 PolarHBondContact O-N 3.09Å
383I58.3Low60Low135 Ų135112 Ų11269%0.69263%0.631SS**Hα-helixtrans-70.7-45.9-178.2-59.7173.1000109.9E385 L386 D387I383-E385 VanDerWaalsContact C-N 3.31Å; I383-E385 PolarHBondContact O-N 3.11Å; I383-L386 PolarHBondContact O-N 3.33Å; I383-D387 PolarHBondContact O-N 2.84Å
384K67.3Low62.8Low144 Ų144107.9 Ų107.963%0.62661%0.612SS**Hα-helixtrans-65.8-34177.5-168.2-178.4177.6-169.20112.4T388K384-T388 WeakPolarHBondContact O-CB 3.34Å; K384-T388 PolarHBondContact O-N 2.88Å; K384-T388 PolarHBondContact O-OG1 2.98Å; K384-T388 VanDerWaalsContact O-OG1 3.09Å
385E68.7Low65.5Low100 Ų100111.1 Ų111.147%0.46762%0.616SS.*Hα-helixtrans-70.6-39.4175.5-74.2173.7-161.800111.5S381 I383 T388 L389S381-E385 WeakPolarHBondContact CA-OE1 3.36Å; S381-E385 WeakPolarHBondContact CB-OE1 3.48Å; S381-E385 PolarHBondContact OG-OE1 2.77Å; I383-E385 VanDerWaalsContact C-N 3.31Å; I383-E385 PolarHBondContact O-N 3.11Å; E385-T388 PolarHBondContact O-N 2.9Å; E385-L389 WeakPolarHBondContact O-CB 3.33Å; E385-L389 VanDerWaalsContact O-CG 3.24Å; E385-L389 WeakPolarHBondContact O-CG 3.43Å; E385-L389 PolarHBondContact O-N 3.02Å
386L75.4Confident68.5Low121 Ų121107.6 Ų107.663%0.63460%0.596SS**Hα-helixtrans-65.9-39.6173-172.963.2000112.2A382 I383 S390A382-L386 WeakPolarHBondContact O-CB 3.37Å; A382-L386 PolarHBondContact O-N 3.09Å; I383-L386 PolarHBondContact O-N 3.33Å; L386-S390 WeakPolarHBondContact O-CB 3.32Å; L386-S390 PolarHBondContact O-N 3.07Å
387D75.6Confident71.2Confident93 Ų93104.7 Ų104.750%0.49758%0.578SS.*Hα-helixtrans-66.6-41172.9-78.7-18.8000111.5I383 S390 N391I383-D387 PolarHBondContact O-N 2.84Å; D387-S390 PolarHBondContact O-N 2.95Å; D387-N391 WeakPolarHBondContact O-CB 3.03Å; D387-N391 PolarHBondContact O-N 3.27Å; D387-N391 PolarHBondContact O-ND2 3.21Å
388T82.5Confident74.2Confident78 Ų78108.6 Ų108.648%0.47957%0.57SS.*Hα-helixtrans-63.2-48.3175.1-71.20000111K384 E385 S390 N391 E392K384-T388 WeakPolarHBondContact O-CB 3.34Å; K384-T388 PolarHBondContact O-N 2.88Å; K384-T388 PolarHBondContact O-OG1 2.98Å; K384-T388 VanDerWaalsContact O-OG1 3.09Å; E385-T388 PolarHBondContact O-N 2.9Å; T388-S390 VanDerWaalsContact C-N 3.3Å; T388-S390 PolarHBondContact O-N 2.98Å; T388-N391 PolarHBondContact O-N 3.03Å; T388-E392 WeakPolarHBondContact O-CB 3.34Å; T388-E392 PolarHBondContact O-N 3.26Å
389L83.6Confident76.8Confident91 Ų91110 Ų11048%0.47656%0.562SS.*Hα-helixtrans-62.9-34.6175.2-71.5166.7000112.2E385 I393E385-L389 WeakPolarHBondContact O-CB 3.33Å; E385-L389 VanDerWaalsContact O-CG 3.24Å; E385-L389 WeakPolarHBondContact O-CG 3.43Å; E385-L389 PolarHBondContact O-N 3.02Å; L389-I393 VanDerWaalsContact O-CB 3.31Å; L389-I393 WeakPolarHBondContact O-CB 3.39Å; L389-I393 WeakPolarHBondContact O-CD1 3.49Å; L389-I393 WeakPolarHBondContact O-CG1 3.16Å; L389-I393 PolarHBondContact O-N 2.94Å
390S84.1Confident79.5Confident63 Ų63109 Ų10944%0.44155%0.551SS.*Hα-helixtrans-68.6-41.4175.1-172.90000111.8L386 D387 T388 I393 V394L386-S390 WeakPolarHBondContact O-CB 3.32Å; L386-S390 PolarHBondContact O-N 3.07Å; D387-S390 PolarHBondContact O-N 2.95Å; T388-S390 VanDerWaalsContact C-N 3.3Å; T388-S390 PolarHBondContact O-N 2.98Å; S390-I393 PolarHBondContact O-N 3.28Å; S390-V394 WeakPolarHBondContact O-CG2 3.49Å; S390-V394 PolarHBondContact O-N 3.39Å
391N87Confident82Confident108 Ų108103.9 Ų103.958%0.57854%0.535SS*.Hα-helixtrans-66.3-42.1173.2-74.1-64.6000111.3D387 T388 V394 E395D387-N391 WeakPolarHBondContact O-CB 3.03Å; D387-N391 PolarHBondContact O-N 3.27Å; D387-N391 PolarHBondContact O-ND2 3.21Å; T388-N391 PolarHBondContact O-N 3.03Å; N391-V394 CarbonylContact O-C 3.58Å; N391-V394 PolarHBondContact O-N 3.38Å; N391-E395 VanDerWaalsContact O-CB 3.31Å; N391-E395 WeakPolarHBondContact O-CB 3.32Å; N391-E395 PolarHBondContact O-N 3Å
392E91.4Very high83.7Confident96 Ų96103.7 Ų103.745%0.44953%0.531SS..Hα-helixtrans-62.1-41.2174.7-175177.8-176.600111.4T388 V394 E395 L396T388-E392 WeakPolarHBondContact O-CB 3.34Å; T388-E392 PolarHBondContact O-N 3.26Å; E392-V394 PolarHBondContact O-N 3.21Å; E392-E395 PolarHBondContact O-N 3.34Å; E392-L396 HydrophobicContact CG-CD1 4.04Å; E392-L396 HydrophobicContact CG-CG 4.49Å; E392-L396 VanDerWaalsContact O-CB 3.26Å; E392-L396 WeakPolarHBondContact O-CB 3.37Å; E392-L396 WeakPolarHBondContact O-CG 3.43Å; E392-L396 PolarHBondContact O-N 2.63Å
393I88.9Confident85.6Confident92 Ų92103.6 Ų103.647%0.47252%0.524SS..Hα-helixtrans-64.1-38.6173.3-73.9163.3000111.5L389 S390 Q397L389-I393 VanDerWaalsContact O-CB 3.31Å; L389-I393 WeakPolarHBondContact O-CB 3.39Å; L389-I393 WeakPolarHBondContact O-CD1 3.49Å; L389-I393 WeakPolarHBondContact O-CG1 3.16Å; L389-I393 PolarHBondContact O-N 2.94Å; S390-I393 PolarHBondContact O-N 3.28Å; I393-Q397 VanDerWaalsContact O-CB 3.3Å; I393-Q397 WeakPolarHBondContact O-CB 3.44Å; I393-Q397 WeakPolarHBondContact O-CG 3.28Å; I393-Q397 PolarHBondContact O-N 3.03Å
394V90.7Very high87.3Confident83 Ų83101.9 Ų101.950%0.50351%0.513SS..Hα-helixtrans-71.4-35.7175.7168.80000111.6S390 N391 E392 Q397 R398S390-V394 WeakPolarHBondContact O-CG2 3.49Å; S390-V394 PolarHBondContact O-N 3.39Å; N391-V394 CarbonylContact O-C 3.58Å; N391-V394 PolarHBondContact O-N 3.38Å; E392-V394 PolarHBondContact O-N 3.21Å; V394-Q397 PolarHBondContact O-N 3.16Å; V394-R398 WeakPolarHBondContact O-CB 3.46Å; V394-R398 PolarHBondContact O-N 3.13Å
395E91.3Very high88.6Confident137 Ų137101.4 Ų101.464%0.6451%0.513SS*.Hα-helixtrans-70.3-44.5176.4-169.3152.1-131.300111N391 E392 Q397 R398 E399N391-E395 VanDerWaalsContact O-CB 3.31Å; N391-E395 WeakPolarHBondContact O-CB 3.32Å; N391-E395 PolarHBondContact O-N 3Å; E392-E395 PolarHBondContact O-N 3.34Å; E395-Q397 VanDerWaalsContact C-N 3.33Å; E395-Q397 PolarHBondContact O-N 3.03Å; E395-R398 CarbonylContact O-C 3.6Å; E395-R398 WeakPolarHBondContact O-CB 3.46Å; E395-R398 PolarHBondContact O-N 3.43Å; E395-R398 VanDerWaalsContact O-N 3.12Å; E395-E399 WeakPolarHBondContact O-CB 3.33Å; E395-E399 PolarHBondContact O-N 3.49Å
396L93.8Very high89.9Confident90 Ų90100.6 Ų100.647%0.47151%0.509SS..Hα-helixtrans-63.8-33.7170.6-71.9168.9000112.6E392 K400E392-L396 HydrophobicContact CG-CD1 4.04Å; E392-L396 HydrophobicContact CG-CG 4.49Å; E392-L396 VanDerWaalsContact O-CB 3.26Å; E392-L396 WeakPolarHBondContact O-CB 3.37Å; E392-L396 WeakPolarHBondContact O-CG 3.43Å; E392-L396 PolarHBondContact O-N 2.63Å; L396-K400 WeakPolarHBondContact O-CB 3.31Å; L396-K400 PolarHBondContact O-N 2.81Å
397Q91.9Very high90.9Very high117 Ų11798.9 Ų98.955%0.54750%0.5SS..Hα-helixtrans-67.8-36.5171.7-80.6172.216.700111.8I393 V394 E395 V401I393-Q397 VanDerWaalsContact O-CB 3.3Å; I393-Q397 WeakPolarHBondContact O-CB 3.44Å; I393-Q397 WeakPolarHBondContact O-CG 3.28Å; I393-Q397 PolarHBondContact O-N 3.03Å; V394-Q397 PolarHBondContact O-N 3.16Å; E395-Q397 VanDerWaalsContact C-N 3.33Å; E395-Q397 PolarHBondContact O-N 3.03Å; Q397-V401 WeakPolarHBondContact O-CG2 3.29Å; Q397-V401 PolarHBondContact O-N 3.31Å; Q397-V401 VanDerWaalsContact O-N 3.12Å
398R93.6Very high91.9Very high188 Ų18899.7 Ų99.771%0.70950%0.499SS*.Hα-helixtrans-69.9-47.6174.9-175.3-176.6-177.2-174.60.3111.6V394 E395 K400 V401 T402V394-R398 WeakPolarHBondContact O-CB 3.46Å; V394-R398 PolarHBondContact O-N 3.13Å; E395-R398 CarbonylContact O-C 3.6Å; E395-R398 WeakPolarHBondContact O-CB 3.46Å; E395-R398 PolarHBondContact O-N 3.43Å; E395-R398 VanDerWaalsContact O-N 3.12Å; R398-K400 VanDerWaalsContact C-N 3.33Å; R398-K400 PolarHBondContact O-N 3.24Å; R398-V401 PolarHBondContact O-N 3.21Å; R398-V401 VanDerWaalsContact O-N 3.14Å; R398-T402 PolarHBondContact O-N 2.89Å; R398-T402 PolarHBondContact O-OG1 2.74Å
399E93.7Very high92.5Very high113 Ų113102.1 Ų102.153%0.52851%0.505SS..Hα-helixtrans-59.4-44175.2-175.1178-153.900110.6E395 V401 T402 V403E395-E399 WeakPolarHBondContact O-CB 3.33Å; E395-E399 PolarHBondContact O-N 3.49Å; E399-V401 VanDerWaalsContact C-N 3.33Å; E399-V401 PolarHBondContact O-N 3.45Å; E399-T402 CarbonylContact O-C 3.58Å; E399-T402 PolarHBondContact O-N 3.36Å; E399-V403 HydrophobicContact CG-CG2 4.41Å; E399-V403 WeakPolarHBondContact O-CB 3.3Å; E399-V403 WeakPolarHBondContact O-CG2 3.47Å; E399-V403 PolarHBondContact O-N 3.26Å
400K93.8Very high93.1Very high114 Ų114103 Ų10350%0.49651%0.505SS..Hα-helixtrans-54.9-46172176.8-179.1176.4-700112.1L396 R398 V403 E404L396-K400 WeakPolarHBondContact O-CB 3.31Å; L396-K400 PolarHBondContact O-N 2.81Å; R398-K400 VanDerWaalsContact C-N 3.33Å; R398-K400 PolarHBondContact O-N 3.24Å; K400-V403 PolarHBondContact O-N 2.94Å; K400-E404 WeakPolarHBondContact CE-OE1 3.36Å; K400-E404 HydrophobicContact CG-CG 4.48Å; K400-E404 IonicContact NZ-OE1 3.49Å; K400-E404 PolarHBondContact NZ-OE1 2.9Å; K400-E404 IonicContact NZ-OE2 3.06Å; K400-E404 PolarHBondContact NZ-OE2 3.23Å; K400-E404 WeakPolarHBondContact O-CB 3.37Å; K400-E404 WeakPolarHBondContact O-CG 2.88Å; K400-E404 PolarHBondContact O-N 3.36Å
401V95.3Very high93.6Very high83 Ų83105.5 Ų105.550%0.50351%0.509SS..Hα-helixtrans-65.5-41.1178168.70000111.2Q397 R398 E399 E404 E405Q397-V401 WeakPolarHBondContact O-CG2 3.29Å; Q397-V401 PolarHBondContact O-N 3.31Å; Q397-V401 VanDerWaalsContact O-N 3.12Å; R398-V401 PolarHBondContact O-N 3.21Å; R398-V401 VanDerWaalsContact O-N 3.14Å; E399-V401 VanDerWaalsContact C-N 3.33Å; E399-V401 PolarHBondContact O-N 3.45Å; V401-E404 PolarHBondContact O-N 2.91Å; V401-E405 WeakPolarHBondContact O-CB 3.39Å; V401-E405 PolarHBondContact O-N 3.31Å
402T95.1Very high94Very high63 Ų63104.4 Ų104.439%0.38750%0.501SS..Hα-helixtrans-63.9-39.6174.3-63.20000112.1R398 E399 E405 E406R398-T402 PolarHBondContact O-N 2.89Å; R398-T402 PolarHBondContact O-OG1 2.74Å; E399-T402 CarbonylContact O-C 3.58Å; E399-T402 PolarHBondContact O-N 3.36Å; T402-E405 PolarHBondContact O-N 3.47Å; T402-E406 WeakPolarHBondContact O-CB 3.49Å; T402-E406 PolarHBondContact O-N 3.4Å
403V95.3Very high94.2Very high66 Ų66101.7 Ų101.740%0.450%0.495SS..Hα-helixtrans-70-37.1175.7171.20000111.6E399 K400 E405 E406 I407E399-V403 HydrophobicContact CG-CG2 4.41Å; E399-V403 WeakPolarHBondContact O-CB 3.3Å; E399-V403 WeakPolarHBondContact O-CG2 3.47Å; E399-V403 PolarHBondContact O-N 3.26Å; K400-V403 PolarHBondContact O-N 2.94Å; V403-E405 VanDerWaalsContact C-N 3.33Å; V403-E406 PolarHBondContact O-N 3.22Å; V403-I407 HydrophobicContact CG1-CD1 3.82Å; V403-I407 HydrophobicContact CG1-CG1 4.4Å; V403-I407 WeakPolarHBondContact O-CB 3.26Å; V403-I407 WeakPolarHBondContact O-CD1 3.39Å; V403-I407 WeakPolarHBondContact O-CG1 3.35Å; V403-I407 PolarHBondContact O-N 3Å
404E94.3Very high94.6Very high100 Ų100101.8 Ų101.847%0.46750%0.495SS..Hα-helixtrans-65.6-35.2171.9-76.3174.6143.500112K400 V401 K408K400-E404 WeakPolarHBondContact CE-OE1 3.36Å; K400-E404 HydrophobicContact CG-CG 4.48Å; K400-E404 IonicContact NZ-OE1 3.49Å; K400-E404 PolarHBondContact NZ-OE1 2.9Å; K400-E404 IonicContact NZ-OE2 3.06Å; K400-E404 PolarHBondContact NZ-OE2 3.23Å; K400-E404 WeakPolarHBondContact O-CB 3.37Å; K400-E404 WeakPolarHBondContact O-CG 2.88Å; K400-E404 PolarHBondContact O-N 3.36Å; V401-E404 PolarHBondContact O-N 2.91Å; E404-K408 WeakPolarHBondContact O-CB 3.33Å; E404-K408 PolarHBondContact O-N 3.41Å
405E95.6Very high94.9Very high134 Ų134105.4 Ų105.463%0.62650%0.5SS*.Hα-helixtrans-70.8-44.4174.1-170.5161.5-136.900111.9V401 T402 V403 I407 K408 E409V401-E405 WeakPolarHBondContact O-CB 3.39Å; V401-E405 PolarHBondContact O-N 3.31Å; T402-E405 PolarHBondContact O-N 3.47Å; V403-E405 VanDerWaalsContact C-N 3.33Å; E405-I407 PolarHBondContact O-N 2.97Å; E405-K408 PolarHBondContact O-N 3.37Å; E405-E409 WeakPolarHBondContact O-CB 3.41Å; E405-E409 PolarHBondContact O-N 2.8Å
406E95.5Very high95.1Very high82 Ų82105 Ų10538%0.38350%0.498SS..Hα-helixtrans-63-38.5172.9-83.4-168.4-135.600113T402 V403 K410T402-E406 WeakPolarHBondContact O-CB 3.49Å; T402-E406 PolarHBondContact O-N 3.4Å; V403-E406 PolarHBondContact O-N 3.22Å; E406-K410 WeakPolarHBondContact O-CB 3.46Å; E406-K410 VanDerWaalsContact O-CD 3.29Å; E406-K410 WeakPolarHBondContact O-CD 3.32Å; E406-K410 WeakPolarHBondContact O-CG 3.43Å; E406-K410 PolarHBondContact O-N 3.29Å; E406-K410 IonicContact OE2-NZ 2.91Å; E406-K410 PolarHBondContact OE2-NZ 3.08Å
407I95.6Very high95.3Very high86 Ų86107.9 Ų107.944%0.44150%0.503SS..Hα-helixtrans-64-46.4174.5-74.7166000109.2V403 E405 E409 K410 E411V403-I407 HydrophobicContact CG1-CD1 3.82Å; V403-I407 HydrophobicContact CG1-CG1 4.4Å; V403-I407 WeakPolarHBondContact O-CB 3.26Å; V403-I407 WeakPolarHBondContact O-CD1 3.39Å; V403-I407 WeakPolarHBondContact O-CG1 3.35Å; V403-I407 PolarHBondContact O-N 3Å; E405-I407 PolarHBondContact O-N 2.97Å; I407-E409 PolarHBondContact O-N 3.21Å; I407-K410 CarbonylContact O-C 3.59Å; I407-K410 PolarHBondContact O-N 3.5Å; I407-E411 HydrophobicContact CG2-CG 4.39Å; I407-E411 WeakPolarHBondContact O-CB 3.49Å; I407-E411 WeakPolarHBondContact O-CG 3.17Å; I407-E411 PolarHBondContact O-N 2.92Å
408K96.5Very high95.5Very high109 Ų109106.4 Ų106.447%0.47450%0.501SS..Hα-helixtrans-62-41.8177.1-179-177.7170.2-61.40112.4E404 E405 E411 E412E404-K408 WeakPolarHBondContact O-CB 3.33Å; E404-K408 PolarHBondContact O-N 3.41Å; E405-K408 PolarHBondContact O-N 3.37Å; K408-E411 PolarHBondContact O-N 2.89Å; K408-E412 VanDerWaalsContact CE-OE1 3.28Å; K408-E412 WeakPolarHBondContact CE-OE1 3.46Å; K408-E412 VanDerWaalsContact NZ-CD 3.34Å; K408-E412 IonicContact NZ-OE1 3.68Å; K408-E412 PolarHBondContact NZ-OE1 2.76Å; K408-E412 IonicContact NZ-OE2 2.95Å; K408-E412 PolarHBondContact NZ-OE2 2.88Å; K408-E412 WeakPolarHBondContact O-CB 3.35Å; K408-E412 WeakPolarHBondContact O-CG 3.39Å; K408-E412 PolarHBondContact O-N 2.81Å
409E96Very high95.6Very high130 Ų130101.5 Ų101.561%0.60749%0.489SS*.Hα-helixtrans-61.9-43.9174.1-176.3178.2-149.600111.2E405 I407 E412 A413E405-E409 WeakPolarHBondContact O-CB 3.41Å; E405-E409 PolarHBondContact O-N 2.8Å; I407-E409 PolarHBondContact O-N 3.21Å; E409-E412 PolarHBondContact O-N 3.1Å; E409-A413 WeakPolarHBondContact O-CB 3.49Å; E409-A413 PolarHBondContact O-N 3.4Å
410K95.1Very high95.8Very high109 Ų109101.6 Ų101.647%0.47449%0.49SS..Hα-helixtrans-68-35.5177.2-70.4161.2-164.3164.20112.3E406 I407 A413 I414E406-K410 WeakPolarHBondContact O-CB 3.46Å; E406-K410 VanDerWaalsContact O-CD 3.29Å; E406-K410 WeakPolarHBondContact O-CD 3.32Å; E406-K410 WeakPolarHBondContact O-CG 3.43Å; E406-K410 PolarHBondContact O-N 3.29Å; E406-K410 IonicContact OE2-NZ 2.91Å; E406-K410 PolarHBondContact OE2-NZ 3.08Å; I407-K410 CarbonylContact O-C 3.59Å; I407-K410 PolarHBondContact O-N 3.5Å; K410-A413 PolarHBondContact O-N 3.46Å; K410-I414 WeakPolarHBondContact O-CB 3.37Å; K410-I414 WeakPolarHBondContact O-CD1 3.46Å; K410-I414 WeakPolarHBondContact O-CG1 3.37Å; K410-I414 PolarHBondContact O-N 2.86Å
411E95.4Very high95.9Very high116 Ų11699.7 Ų99.754%0.54249%0.487SS..Hα-helixtrans-65.9-40.7171.5-76.5-177.6-178.700112I407 K408 I414 R415I407-E411 HydrophobicContact CG2-CG 4.39Å; I407-E411 WeakPolarHBondContact O-CB 3.49Å; I407-E411 WeakPolarHBondContact O-CG 3.17Å; I407-E411 PolarHBondContact O-N 2.92Å; K408-E411 PolarHBondContact O-N 2.89Å; E411-I414 PolarHBondContact O-N 3.31Å; E411-R415 WeakPolarHBondContact O-CB 3.1Å; E411-R415 PolarHBondContact O-N 2.83Å
412E95.7Very high96Very high85 Ų85100.2 Ų100.240%0.39748%0.484SS..Hα-helixtrans-68.4-37.9175.1-76.3172.2-165.600111.9K408 E409 R415 Q416K408-E412 VanDerWaalsContact CE-OE1 3.28Å; K408-E412 WeakPolarHBondContact CE-OE1 3.46Å; K408-E412 VanDerWaalsContact NZ-CD 3.34Å; K408-E412 IonicContact NZ-OE1 3.68Å; K408-E412 PolarHBondContact NZ-OE1 2.76Å; K408-E412 IonicContact NZ-OE2 2.95Å; K408-E412 PolarHBondContact NZ-OE2 2.88Å; K408-E412 WeakPolarHBondContact O-CB 3.35Å; K408-E412 WeakPolarHBondContact O-CG 3.39Å; K408-E412 PolarHBondContact O-N 2.81Å; E409-E412 PolarHBondContact O-N 3.1Å; E412-R415 WeakPolarHBondContact O-CB 3.07Å; E412-R415 PolarHBondContact O-N 2.91Å; E412-Q416 VanDerWaalsContact O-CG 3.3Å; E412-Q416 WeakPolarHBondContact O-CG 3.32Å; E412-Q416 PolarHBondContact O-N 2.72Å
413A96.3Very high96.1Very high39 Ų39102.8 Ų102.832%0.32250%0.496SS..Hα-helixtrans-73.8-27.7174.300000113.7E409 K410 R417E409-A413 WeakPolarHBondContact O-CB 3.49Å; E409-A413 PolarHBondContact O-N 3.4Å; K410-A413 PolarHBondContact O-N 3.46Å; A413-R417 WeakPolarHBondContact O-CG 3.45Å; A413-R417 PolarHBondContact O-N 3.35Å; A413-R417 PolarHBondContact O-NE 3.35Å
414I96.1Very high96.2Very high93 Ų93104 Ų10448%0.47750%0.5SS..Hα-helixtrans-71-41.4168.7-74.5164000109.9K410 E411 R417 T418K410-I414 WeakPolarHBondContact O-CB 3.37Å; K410-I414 WeakPolarHBondContact O-CD1 3.46Å; K410-I414 WeakPolarHBondContact O-CG1 3.37Å; K410-I414 PolarHBondContact O-N 2.86Å; E411-I414 PolarHBondContact O-N 3.31Å; I414-R417 PolarHBondContact O-N 2.85Å; I414-T418 WeakPolarHBondContact O-CB 3.47Å; I414-T418 PolarHBondContact O-N 3.33Å; I414-T418 PolarHBondContact O-OG1 3.45Å
415R96.6Very high96.3Very high159 Ų159104.6 Ų104.660%0.650%0.502SS*.Hα-helixtrans-60-53.6175.3-172.7-177.1-56.5-79.2-6111.2E411 E412 R417 T418 D419E411-R415 WeakPolarHBondContact O-CB 3.1Å; E411-R415 PolarHBondContact O-N 2.83Å; E412-R415 WeakPolarHBondContact O-CB 3.07Å; E412-R415 PolarHBondContact O-N 2.91Å; R415-R417 VanDerWaalsContact C-N 3.32Å; R415-R417 PolarHBondContact O-N 3.24Å; R415-T418 CarbonylContact O-C 3.59Å; R415-T418 WeakPolarHBondContact O-CA 3.39Å; R415-T418 VanDerWaalsContact O-CB 3.31Å; R415-T418 WeakPolarHBondContact O-CB 3.31Å; R415-T418 PolarHBondContact O-N 2.67Å; R415-D419 VanDerWaalsContact O-CG 3.24Å; R415-D419 PolarHBondContact O-N 3.3Å
416Q97.1Very high96.4Very high129 Ų129102.7 Ų102.760%0.60350%0.497SS*.Hα-helixtrans-55.2-43.8178.3-72.216834.600112.6E412 T418 D419 E420E412-Q416 VanDerWaalsContact O-CG 3.3Å; E412-Q416 WeakPolarHBondContact O-CG 3.32Å; E412-Q416 PolarHBondContact O-N 2.72Å; Q416-T418 VanDerWaalsContact C-N 3.3Å; Q416-T418 PolarHBondContact O-N 2.87Å; Q416-D419 PolarHBondContact O-N 2.92Å; Q416-E420 WeakPolarHBondContact O-CB 3.44Å; Q416-E420 PolarHBondContact O-N 3.28Å
417R96.3Very high96.5Very high151 Ų151104.1 Ų104.157%0.5750%0.503SS*.Hα-helixtrans-71.1-21.8174.9-72.1-173.5-60.9138.80114.2A413 I414 R415 V421A413-R417 WeakPolarHBondContact O-CG 3.45Å; A413-R417 PolarHBondContact O-N 3.35Å; A413-R417 PolarHBondContact O-NE 3.35Å; I414-R417 PolarHBondContact O-N 2.85Å; R415-R417 VanDerWaalsContact C-N 3.32Å; R415-R417 PolarHBondContact O-N 3.24Å; R417-V421 VanDerWaalsContact O-CB 3.27Å; R417-V421 WeakPolarHBondContact O-CB 3.44Å; R417-V421 WeakPolarHBondContact O-CG2 3.26Å; R417-V421 PolarHBondContact O-N 2.76Å; R417-V421 VanDerWaalsContact O-N 3.13Å
418T95.9Very high96.6Very high85 Ų85104.2 Ų104.252%0.52151%0.508SS..Hα-helixtrans-75.7-41.2172.3-53.70000110.1I414 R415 Q416 V421 Q422I414-T418 WeakPolarHBondContact O-CB 3.47Å; I414-T418 PolarHBondContact O-N 3.33Å; I414-T418 PolarHBondContact O-OG1 3.45Å; R415-T418 CarbonylContact O-C 3.59Å; R415-T418 WeakPolarHBondContact O-CA 3.39Å; R415-T418 VanDerWaalsContact O-CB 3.31Å; R415-T418 WeakPolarHBondContact O-CB 3.31Å; R415-T418 PolarHBondContact O-N 2.67Å; Q416-T418 VanDerWaalsContact C-N 3.3Å; Q416-T418 PolarHBondContact O-N 2.87Å; T418-V421 PolarHBondContact O-N 2.85Å; T418-Q422 PolarHBondContact O-N 3.32Å
419D96.6Very high96.6Very high86 Ų86101.9 Ų101.946%0.4651%0.509SS..Hα-helixtrans-63.9-47.1175.4-55.3-33.1000110.2R415 Q416 V421 Q422 D423R415-D419 VanDerWaalsContact O-CG 3.24Å; R415-D419 PolarHBondContact O-N 3.3Å; Q416-D419 PolarHBondContact O-N 2.92Å; D419-V421 PolarHBondContact O-N 2.86Å; D419-Q422 WeakPolarHBondContact O-CA 3.34Å; D419-Q422 WeakPolarHBondContact O-CB 3.27Å; D419-Q422 PolarHBondContact O-N 2.85Å; D419-D423 PolarHBondContact O-N 2.92Å
420E97Very high96.7Very high114 Ų114101 Ų10153%0.53350%0.503SS..Hα-helixtrans-58.4-41.6173.8-179179.8-152.600112.8Q416 Q422 D423 L424Q416-E420 WeakPolarHBondContact O-CB 3.44Å; Q416-E420 PolarHBondContact O-N 3.28Å; E420-Q422 VanDerWaalsContact C-N 3.28Å; E420-Q422 PolarHBondContact O-N 3.3Å; E420-D423 PolarHBondContact O-N 2.86Å; E420-L424 HydrophobicContact CG-CD1 4.29Å; E420-L424 WeakPolarHBondContact O-CB 3.47Å; E420-L424 VanDerWaalsContact O-CG 3.3Å; E420-L424 WeakPolarHBondContact O-CG 3.3Å; E420-L424 PolarHBondContact O-N 3.49Å
421V97.4Very high96.8Very high74 Ų74101.5 Ų101.545%0.44851%0.507SS..Hα-helixtrans-70.4-23.2175.9163.20000112.5R417 T418 D419 Q425R417-V421 VanDerWaalsContact O-CB 3.27Å; R417-V421 WeakPolarHBondContact O-CB 3.44Å; R417-V421 WeakPolarHBondContact O-CG2 3.26Å; R417-V421 PolarHBondContact O-N 2.76Å; R417-V421 VanDerWaalsContact O-N 3.13Å; T418-V421 PolarHBondContact O-N 2.85Å; D419-V421 PolarHBondContact O-N 2.86Å; V421-Q425 VanDerWaalsContact CG1-NE2 3.34Å; V421-Q425 VanDerWaalsContact O-CG 3.31Å; V421-Q425 WeakPolarHBondContact O-CG 3.23Å; V421-Q425 PolarHBondContact O-N 3.24Å; V421-Q425 PolarHBondContact O-NE2 3.19Å
422Q97.1Very high96.9Very high94 Ų9499.8 Ų99.844%0.43951%0.505SS..Hα-helixtrans-77.6-46170.6-172.763.663.800111.1T418 D419 E420 L424 Q425 D426T418-Q422 PolarHBondContact O-N 3.32Å; D419-Q422 WeakPolarHBondContact O-CA 3.34Å; D419-Q422 WeakPolarHBondContact O-CB 3.27Å; D419-Q422 PolarHBondContact O-N 2.85Å; E420-Q422 VanDerWaalsContact C-N 3.28Å; E420-Q422 PolarHBondContact O-N 3.3Å; Q422-L424 VanDerWaalsContact C-N 3.26Å; Q422-L424 PolarHBondContact O-N 2.88Å; Q422-Q425 WeakPolarHBondContact O-CB 3.42Å; Q422-Q425 PolarHBondContact O-N 2.94Å; Q422-D426 PolarHBondContact NE2-OD1 3.26Å; Q422-D426 PolarHBondContact O-N 2.78Å
423D97.2Very high97Very high117 Ų117102.3 Ų102.363%0.62652%0.516SS*.Hα-helixtrans-56.3-42.2175.8-75.6-18.2000111.1D419 E420 D426 E427D419-D423 PolarHBondContact O-N 2.92Å; E420-D423 PolarHBondContact O-N 2.86Å; D423-D426 PolarHBondContact O-N 3.35Å; D423-E427 WeakPolarHBondContact O-CB 3.22Å; D423-E427 PolarHBondContact O-N 3.03Å
424L97.7Very high97.1Very high93 Ų93105.3 Ų105.349%0.48752%0.524SS..Hα-helixtrans-67.9-32.3174.8-71.3170.1000113.5E420 Q422 V428E420-L424 HydrophobicContact CG-CD1 4.29Å; E420-L424 WeakPolarHBondContact O-CB 3.47Å; E420-L424 VanDerWaalsContact O-CG 3.3Å; E420-L424 WeakPolarHBondContact O-CG 3.3Å; E420-L424 PolarHBondContact O-N 3.49Å; Q422-L424 VanDerWaalsContact C-N 3.26Å; Q422-L424 PolarHBondContact O-N 2.88Å; L424-V428 WeakPolarHBondContact O-CB 3.35Å; L424-V428 VanDerWaalsContact O-CG2 3.28Å; L424-V428 WeakPolarHBondContact O-CG2 3.32Å; L424-V428 PolarHBondContact O-N 3.34Å
425Q96.3Very high97.2Very high111 Ų111105.6 Ų105.652%0.51953%0.526SS..Hα-helixtrans-69.8-40.9173.5-83.5170.37100111.7V421 Q422 V428 A429V421-Q425 VanDerWaalsContact CG1-NE2 3.34Å; V421-Q425 VanDerWaalsContact O-CG 3.31Å; V421-Q425 WeakPolarHBondContact O-CG 3.23Å; V421-Q425 PolarHBondContact O-N 3.24Å; V421-Q425 PolarHBondContact O-NE2 3.19Å; Q422-Q425 WeakPolarHBondContact O-CB 3.42Å; Q422-Q425 PolarHBondContact O-N 2.94Å; Q425-V428 PolarHBondContact O-N 3.05Å; Q425-A429 VanDerWaalsContact O-CB 3.31Å; Q425-A429 WeakPolarHBondContact O-CB 3.26Å; Q425-A429 PolarHBondContact O-N 2.94Å
426D97Very high97.2Very high95 Ų95103.9 Ų103.951%0.50852%0.524SS..Hα-helixtrans-67-37.3176.9-75.424.8000110.9Q422 D423 K430Q422-D426 PolarHBondContact NE2-OD1 3.26Å; Q422-D426 PolarHBondContact O-N 2.78Å; D423-D426 PolarHBondContact O-N 3.35Å; D426-K430 WeakPolarHBondContact O-CB 3.34Å; D426-K430 PolarHBondContact O-N 2.92Å
427E97.8Very high97.2Very high112 Ų112106.2 Ų106.252%0.52353%0.528SS..Hα-helixtrans-66.6-47.3173.2-172.9151.5-11400112.1D423 A429 K430 E431D423-E427 WeakPolarHBondContact O-CB 3.22Å; D423-E427 PolarHBondContact O-N 3.03Å; E427-A429 VanDerWaalsContact C-N 3.31Å; E427-A429 PolarHBondContact O-N 3.22Å; E427-K430 WeakPolarHBondContact O-CB 3.5Å; E427-K430 PolarHBondContact O-N 2.93Å; E427-K430 VanDerWaalsContact O-N 3.15Å; E427-E431 PolarHBondContact O-N 3.49Å
428V97.7Very high97.3Very high87 Ų87103.6 Ų103.653%0.52752%0.524SS..Hα-helixtrans-61.5-37.3174.9167.60000112L424 Q425 T432L424-V428 WeakPolarHBondContact O-CB 3.35Å; L424-V428 VanDerWaalsContact O-CG2 3.28Å; L424-V428 WeakPolarHBondContact O-CG2 3.32Å; L424-V428 PolarHBondContact O-N 3.34Å; Q425-V428 PolarHBondContact O-N 3.05Å; V428-T432 WeakPolarHBondContact O-CB 3.48Å; V428-T432 PolarHBondContact O-N 3.01Å; V428-T432 PolarHBondContact O-OG1 3.25Å
429A97.2Very high97.4Very high60 Ų60104.4 Ų104.450%0.49652%0.522SS..Hα-helixtrans-64.2-42.7174.700000111.6Q425 E427 T432 E433Q425-A429 VanDerWaalsContact O-CB 3.31Å; Q425-A429 WeakPolarHBondContact O-CB 3.26Å; Q425-A429 PolarHBondContact O-N 2.94Å; E427-A429 VanDerWaalsContact C-N 3.31Å; E427-A429 PolarHBondContact O-N 3.22Å; A429-T432 WeakPolarHBondContact O-CB 3.13Å; A429-T432 PolarHBondContact O-N 2.86Å; A429-E433 PolarHBondContact O-N 3.02Å
430K97.6Very high97.4Very high113 Ų113103.1 Ų103.149%0.49152%0.52SS..Hα-helixtrans-65.6-44175.6177.7-172.8157.3-65.30112.3D426 E427 T432 E433 E434D426-K430 WeakPolarHBondContact O-CB 3.34Å; D426-K430 PolarHBondContact O-N 2.92Å; E427-K430 WeakPolarHBondContact O-CB 3.5Å; E427-K430 PolarHBondContact O-N 2.93Å; E427-K430 VanDerWaalsContact O-N 3.15Å; K430-T432 VanDerWaalsContact C-N 3.25Å; K430-T432 PolarHBondContact O-N 2.92Å; K430-E433 PolarHBondContact O-N 3.18Å; K430-E434 IonicContact NZ-OE2 2.83Å; K430-E434 WeakPolarHBondContact O-CB 3.38Å; K430-E434 PolarHBondContact O-N 2.62Å
431E97.2Very high97.5Very high118 Ų118103.1 Ų103.155%0.55152%0.52SS*.Hα-helixtrans-62.7-34.2174.1-71.8-164.415000111.7E427 E434 L435E427-E431 PolarHBondContact O-N 3.49Å; E431-E434 PolarHBondContact O-N 2.68Å; E431-L435 VanDerWaalsContact O-CB 3.29Å; E431-L435 WeakPolarHBondContact O-CB 3.37Å; E431-L435 PolarHBondContact O-N 2.65Å
432T97.3Very high97.4Very high81 Ų81107 Ų10750%0.49753%0.527SS..Hα-helixtrans-67-41.5174.7-58.60000111.8V428 A429 K430 L435 Q436V428-T432 WeakPolarHBondContact O-CB 3.48Å; V428-T432 PolarHBondContact O-N 3.01Å; V428-T432 PolarHBondContact O-OG1 3.25Å; A429-T432 WeakPolarHBondContact O-CB 3.13Å; A429-T432 PolarHBondContact O-N 2.86Å; K430-T432 VanDerWaalsContact C-N 3.25Å; K430-T432 PolarHBondContact O-N 2.92Å; T432-L435 PolarHBondContact O-N 3.09Å; T432-Q436 WeakPolarHBondContact O-CB 3.35Å; T432-Q436 PolarHBondContact O-N 3.06Å
433E97.8Very high97.5Very high138 Ų138106.2 Ų106.265%0.64552%0.523SS*.Hα-helixtrans-63.5-42.9172.7-169.8-173.616400111.3A429 K430 Q436 R437A429-E433 PolarHBondContact O-N 3.02Å; K430-E433 PolarHBondContact O-N 3.18Å; E433-Q436 PolarHBondContact O-N 3.32Å; E433-R437 WeakPolarHBondContact O-CB 3.4Å; E433-R437 PolarHBondContact O-N 3.47Å
434E97.7Very high97.5Very high102 Ų102107.6 Ų107.648%0.47752%0.523SS..Hα-helixtrans-64.6-41.5178.2-170.3161.4179.100111.8K430 E431 R437 L438K430-E434 IonicContact NZ-OE2 2.83Å; K430-E434 WeakPolarHBondContact O-CB 3.38Å; K430-E434 PolarHBondContact O-N 2.62Å; E431-E434 PolarHBondContact O-N 2.68Å; E434-R437 WeakPolarHBondContact O-CB 3.28Å; E434-R437 PolarHBondContact O-N 2.85Å; E434-L438 HydrophobicContact CG-CD1 4.46Å; E434-L438 WeakPolarHBondContact O-CB 3.42Å; E434-L438 WeakPolarHBondContact O-CG 3.23Å; E434-L438 PolarHBondContact O-N 3.25Å
435L97.9Very high97.5Very high99 Ų99106.9 Ų106.952%0.51852%0.523SS..Hα-helixtrans-63.4-43.7172.8-17862.4000111.9E431 T432 R437 L438 Q439E431-L435 VanDerWaalsContact O-CB 3.29Å; E431-L435 WeakPolarHBondContact O-CB 3.37Å; E431-L435 PolarHBondContact O-N 2.65Å; T432-L435 PolarHBondContact O-N 3.09Å; L435-R437 VanDerWaalsContact C-N 3.31Å; L435-R437 PolarHBondContact O-N 2.96Å; L435-L438 PolarHBondContact O-N 2.87Å; L435-Q439 WeakPolarHBondContact O-CB 3Å; L435-Q439 VanDerWaalsContact O-CG 3.31Å; L435-Q439 WeakPolarHBondContact O-CG 3.3Å; L435-Q439 PolarHBondContact O-N 3.41Å
436Q97.8Very high97.5Very high123 Ų123105.7 Ų105.758%0.57552%0.517SS*.Hα-helixtrans-63.8-37.6176.1-173.1178.87.200111.6T432 E433 S440T432-Q436 WeakPolarHBondContact O-CB 3.35Å; T432-Q436 PolarHBondContact O-N 3.06Å; E433-Q436 PolarHBondContact O-N 3.32Å; Q436-S440 WeakPolarHBondContact O-CB 3.46Å; Q436-S440 PolarHBondContact O-N 3.44Å; Q436-S440 PolarHBondContact O-OG 3.27Å
437R97.9Very high97.6Very high177 Ų177106 Ų10667%0.66852%0.515SS*.Hα-helixtrans-64.2-45.8173.8-177.2-173.5178.9874.4111.5E433 E434 L435 S440 Q441E433-R437 WeakPolarHBondContact O-CB 3.4Å; E433-R437 PolarHBondContact O-N 3.47Å; E434-R437 WeakPolarHBondContact O-CB 3.28Å; E434-R437 PolarHBondContact O-N 2.85Å; L435-R437 VanDerWaalsContact C-N 3.31Å; L435-R437 PolarHBondContact O-N 2.96Å; R437-S440 WeakPolarHBondContact O-CB 3.35Å; R437-S440 PolarHBondContact O-N 3.11Å; R437-Q441 PolarHBondContact O-N 3.45Å
438L97.6Very high97.6Very high96 Ų96103.1 Ų103.150%0.50351%0.511SS..Hα-helixtrans-65.6-40.3177-73171.1000112.1E434 L435 S440 Q441 R442E434-L438 HydrophobicContact CG-CD1 4.46Å; E434-L438 WeakPolarHBondContact O-CB 3.42Å; E434-L438 WeakPolarHBondContact O-CG 3.23Å; E434-L438 PolarHBondContact O-N 3.25Å; L435-L438 PolarHBondContact O-N 2.87Å; L438-S440 VanDerWaalsContact C-N 3.34Å; L438-S440 PolarHBondContact O-N 2.91Å; L438-Q441 PolarHBondContact O-N 3.05Å; L438-R442 WeakPolarHBondContact O-CB 3.46Å; L438-R442 PolarHBondContact O-N 3.33Å
439Q97.4Very high97.6Very high102 Ų102103.1 Ų103.148%0.47751%0.508SS..Hα-helixtrans-60.4-43.6171.5-73.6177.1700111.5L435 Q441 R442 Q443L435-Q439 WeakPolarHBondContact O-CB 3Å; L435-Q439 VanDerWaalsContact O-CG 3.31Å; L435-Q439 WeakPolarHBondContact O-CG 3.3Å; L435-Q439 PolarHBondContact O-N 3.41Å; Q439-Q441 VanDerWaalsContact C-N 3.3Å; Q439-Q441 PolarHBondContact O-N 3.25Å; Q439-R442 PolarHBondContact O-N 3.07Å; Q439-Q443 WeakPolarHBondContact O-CB 3.31Å; Q439-Q443 PolarHBondContact O-N 2.93Å
440S97.6Very high97.6Very high59 Ų59103.7 Ų103.741%0.41350%0.503SS..Hα-helixtrans-65.5-31.9176.5-57.50000112.8Q436 R437 L438 K444Q436-S440 WeakPolarHBondContact O-CB 3.46Å; Q436-S440 PolarHBondContact O-N 3.44Å; Q436-S440 PolarHBondContact O-OG 3.27Å; R437-S440 WeakPolarHBondContact O-CB 3.35Å; R437-S440 PolarHBondContact O-N 3.11Å; L438-S440 VanDerWaalsContact C-N 3.34Å; L438-S440 PolarHBondContact O-N 2.91Å; S440-K444 WeakPolarHBondContact O-CG 3.33Å; S440-K444 PolarHBondContact O-N 3.39Å
441Q97.7Very high97.6Very high114 Ų114102.8 Ų102.853%0.53350%0.5SS..Hα-helixtrans-73.4-45.9174-177.4171.5-15.100111.3R437 L438 Q439 Q443 K444 V445R437-Q441 PolarHBondContact O-N 3.45Å; L438-Q441 PolarHBondContact O-N 3.05Å; Q439-Q441 VanDerWaalsContact C-N 3.3Å; Q439-Q441 PolarHBondContact O-N 3.25Å; Q441-Q443 VanDerWaalsContact C-N 3.27Å; Q441-Q443 PolarHBondContact O-N 2.9Å; Q441-K444 PolarHBondContact O-N 3.38Å; Q441-V445 WeakPolarHBondContact O-CG2 3.49Å; Q441-V445 PolarHBondContact O-N 3.43Å
442R97.1Very high97.6Very high157 Ų157102.1 Ų102.159%0.59250%0.5SS*.Hα-helixtrans-57.3-41.3174.1-169.1-14571.2-152.9-2.9111.4L438 Q439 V445 Q446L438-R442 WeakPolarHBondContact O-CB 3.46Å; L438-R442 PolarHBondContact O-N 3.33Å; Q439-R442 PolarHBondContact O-N 3.07Å; R442-V445 PolarHBondContact O-N 3.09Å; R442-Q446 PolarHBondContact O-N 3.16Å
443Q98.1Very high97.7Very high77 Ų77102.4 Ų102.436%0.3650%0.498SS..Hα-helixtrans-61.7-45.2177.8-175.756.532.200112.1Q439 Q441 V445 Q446 E447Q439-Q443 WeakPolarHBondContact O-CB 3.31Å; Q439-Q443 PolarHBondContact O-N 2.93Å; Q441-Q443 VanDerWaalsContact C-N 3.27Å; Q441-Q443 PolarHBondContact O-N 2.9Å; Q443-V445 VanDerWaalsContact C-N 3.34Å; Q443-V445 PolarHBondContact O-N 2.82Å; Q443-Q446 WeakPolarHBondContact O-CB 3.29Å; Q443-Q446 PolarHBondContact O-N 3.32Å; Q443-E447 VanDerWaalsContact CG-OE1 3.31Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.4Å; Q443-E447 PolarHBondContact NE2-OE1 2.89Å; Q443-E447 WeakPolarHBondContact O-CG 3.36Å; Q443-E447 PolarHBondContact O-N 3.37Å
444K97.7Very high97.7Very high145 Ų145101.3 Ų101.363%0.6349%0.493SS*.Hα-helixtrans-66.3-32.8175.8-71.2172.7-179.3-178.60113.7S440 Q441 A448S440-K444 WeakPolarHBondContact O-CG 3.33Å; S440-K444 PolarHBondContact O-N 3.39Å; Q441-K444 PolarHBondContact O-N 3.38Å; K444-A448 WeakPolarHBondContact O-CB 3.42Å; K444-A448 PolarHBondContact O-N 3.37Å
445V97.1Very high97.7Very high79 Ų79101 Ų10148%0.47949%0.492SS..Hα-helixtrans-69.3-39.4173.3172.50000110.5Q441 R442 Q443 A448 L449Q441-V445 WeakPolarHBondContact O-CG2 3.49Å; Q441-V445 PolarHBondContact O-N 3.43Å; R442-V445 PolarHBondContact O-N 3.09Å; Q443-V445 VanDerWaalsContact C-N 3.34Å; Q443-V445 PolarHBondContact O-N 2.82Å; V445-A448 PolarHBondContact O-N 3.28Å; V445-L449 HydrophobicContact CG1-CD1 4.16Å; V445-L449 VanDerWaalsContact O-CG 3.32Å; V445-L449 WeakPolarHBondContact O-CG 3.48Å; V445-L449 PolarHBondContact O-N 3.42Å
446Q97.3Very high97.7Very high86 Ų86101.3 Ų101.340%0.40249%0.489SS..Hα-helixtrans-62.3-49.2173-170.46556.600111.3R442 Q443 A448 L449 D450R442-Q446 PolarHBondContact O-N 3.16Å; Q443-Q446 WeakPolarHBondContact O-CB 3.29Å; Q443-Q446 PolarHBondContact O-N 3.32Å; Q446-A448 PolarHBondContact O-N 3.01Å; Q446-L449 WeakPolarHBondContact O-CB 3.3Å; Q446-L449 PolarHBondContact O-N 3.3Å; Q446-D450 PolarHBondContact NE2-OD1 2.95Å; Q446-D450 PolarHBondContact O-N 2.96Å
447E97.9Very high97.7Very high100 Ų10099.8 Ų99.847%0.46749%0.485SS..Hα-helixtrans-58.5-35.5177.5-72.2160-174.200112.4Q443 E451Q443-E447 VanDerWaalsContact CG-OE1 3.31Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.4Å; Q443-E447 PolarHBondContact NE2-OE1 2.89Å; Q443-E447 WeakPolarHBondContact O-CG 3.36Å; Q443-E447 PolarHBondContact O-N 3.37Å; E447-E451 WeakPolarHBondContact O-CB 3.21Å; E447-E451 PolarHBondContact O-N 3.18Å; E447-E451 VanDerWaalsContact O-N 3.1Å
448A97.6Very high97.7Very high53 Ų5394.7 Ų94.744%0.43847%0.473SS..Hα-helixtrans-73.1-31.9174.400000113.6K444 V445 Q446 L452K444-A448 WeakPolarHBondContact O-CB 3.42Å; K444-A448 PolarHBondContact O-N 3.37Å; V445-A448 PolarHBondContact O-N 3.28Å; Q446-A448 PolarHBondContact O-N 3.01Å; A448-L452 WeakPolarHBondContact O-CB 3.36Å; A448-L452 VanDerWaalsContact O-CG 3.29Å; A448-L452 WeakPolarHBondContact O-CG 3.45Å; A448-L452 PolarHBondContact O-N 2.83Å; A448-L452 VanDerWaalsContact O-N 3.09Å
449L97.9Very high97.7Very high86 Ų8694.5 Ų94.545%0.4547%0.472SS..Hα-helixtrans-70.9-45.3172.5-72.1166.5000111V445 Q446 E451 L452 D453V445-L449 HydrophobicContact CG1-CD1 4.16Å; V445-L449 VanDerWaalsContact O-CG 3.32Å; V445-L449 WeakPolarHBondContact O-CG 3.48Å; V445-L449 PolarHBondContact O-N 3.42Å; Q446-L449 WeakPolarHBondContact O-CB 3.3Å; Q446-L449 PolarHBondContact O-N 3.3Å; L449-E451 VanDerWaalsContact C-N 3.25Å; L449-E451 PolarHBondContact O-N 3.15Å; L449-L452 PolarHBondContact O-N 2.91Å; L449-L452 VanDerWaalsContact O-N 3.11Å; L449-D453 PolarHBondContact O-N 2.93Å
450D97.7Very high97.7Very high73 Ų7394.6 Ų94.639%0.3947%0.473SS..Hα-helixtrans-61.6-34.3178.1-59.9-14.3000111.4Q446 Q454Q446-D450 PolarHBondContact NE2-OD1 2.95Å; Q446-D450 PolarHBondContact O-N 2.96Å; D450-Q454 WeakPolarHBondContact O-CG 3.46Å; D450-Q454 PolarHBondContact O-N 2.84Å; D450-Q454 PolarHBondContact O-NE2 3.35Å
451E98Very high97.7Very high93 Ų9398.7 Ų98.744%0.43549%0.486SS..Hα-helixtrans-69.8-44.4171.6176.966-148.300112.1E447 L449 D453 Q454 Q455E447-E451 WeakPolarHBondContact O-CB 3.21Å; E447-E451 PolarHBondContact O-N 3.18Å; E447-E451 VanDerWaalsContact O-N 3.1Å; L449-E451 VanDerWaalsContact C-N 3.25Å; L449-E451 PolarHBondContact O-N 3.15Å; E451-D453 PolarHBondContact O-N 2.73Å; E451-Q454 WeakPolarHBondContact O-CB 3.35Å; E451-Q454 PolarHBondContact O-N 2.82Å; E451-Q455 WeakPolarHBondContact O-CG 3.09Å; E451-Q455 PolarHBondContact O-N 3.39Å; E451-Q455 PolarHBondContact OE1-NE2 3.14Å
452L97.2Very high97.8Very high104 Ų10498.3 Ų98.355%0.54548%0.484SS..Hα-helixtrans-64-39.7177.2-77.5169.3000112.3A448 L449 Q454 Q455 K456A448-L452 WeakPolarHBondContact O-CB 3.36Å; A448-L452 VanDerWaalsContact O-CG 3.29Å; A448-L452 WeakPolarHBondContact O-CG 3.45Å; A448-L452 PolarHBondContact O-N 2.83Å; A448-L452 VanDerWaalsContact O-N 3.09Å; L449-L452 PolarHBondContact O-N 2.91Å; L449-L452 VanDerWaalsContact O-N 3.11Å; L452-Q454 VanDerWaalsContact C-N 3.35Å; L452-Q455 PolarHBondContact O-N 3.35Å; L452-K456 VanDerWaalsContact O-CB 3.3Å; L452-K456 WeakPolarHBondContact O-CB 3.42Å; L452-K456 PolarHBondContact O-N 3.02Å
453D97.8Very high97.8Very high87 Ų8795.2 Ų95.247%0.46548%0.478SS..Hα-helixtrans-65.8-35.9174-87.8-29.2000111.7L449 E451 N457L449-D453 PolarHBondContact O-N 2.93Å; E451-D453 PolarHBondContact O-N 2.73Å; D453-N457 WeakPolarHBondContact O-CB 3.35Å; D453-N457 PolarHBondContact O-N 3.12Å; D453-N457 PolarHBondContact O-ND2 2.7Å
454Q98.3Very high97.8Very high116 Ų11695 Ų9554%0.54249%0.486SS..Hα-helixtrans-65.1-43.3172.1-78.2169.690.900112.4D450 E451 L452 N457 T458D450-Q454 WeakPolarHBondContact O-CG 3.46Å; D450-Q454 PolarHBondContact O-N 2.84Å; D450-Q454 PolarHBondContact O-NE2 3.35Å; E451-Q454 WeakPolarHBondContact O-CB 3.35Å; E451-Q454 PolarHBondContact O-N 2.82Å; L452-Q454 VanDerWaalsContact C-N 3.35Å; Q454-N457 PolarHBondContact O-N 3.31Å; Q454-T458 WeakPolarHBondContact O-CB 3.4Å; Q454-T458 PolarHBondContact O-N 3.46Å; Q454-T458 PolarHBondContact O-OG1 3.43Å
455Q98.3Very high97.8Very high96 Ų9693.2 Ų93.245%0.44948%0.482SS..Hα-helixtrans-64.4-42.8176.2-69.9178.81900111.4E451 L452 T458 L459E451-Q455 WeakPolarHBondContact O-CG 3.09Å; E451-Q455 PolarHBondContact O-N 3.39Å; E451-Q455 PolarHBondContact OE1-NE2 3.14Å; L452-Q455 PolarHBondContact O-N 3.35Å; Q455-T458 WeakPolarHBondContact O-CB 3.24Å; Q455-T458 PolarHBondContact O-N 3.39Å; Q455-L459 WeakPolarHBondContact O-CG 3.42Å; Q455-L459 PolarHBondContact O-N 3.23Å
456K97.6Very high97.9Very high104 Ų10494 Ų9445%0.45248%0.483SS..Hα-helixtrans-58.2-51.9172.9176.6-173.4163.6-166.90111.8L452 T458 L459 E460L452-K456 VanDerWaalsContact O-CB 3.3Å; L452-K456 WeakPolarHBondContact O-CB 3.42Å; L452-K456 PolarHBondContact O-N 3.02Å; K456-T458 VanDerWaalsContact C-N 3.25Å; K456-T458 PolarHBondContact O-N 2.88Å; K456-L459 CarbonylContact O-C 3.18Å; K456-L459 PolarHBondContact O-N 2.95Å; K456-L459 VanDerWaalsContact O-N 3.08Å; K456-E460 WeakPolarHBondContact CE-OE1 3.41Å; K456-E460 HydrophobicContact CG-CG 4.45Å; K456-E460 IonicContact NZ-OE1 3.21Å; K456-E460 WeakPolarHBondContact O-CG 3.45Å; K456-E460 PolarHBondContact O-N 2.92Å
457N98.2Very high97.9Very high91 Ų9198.7 Ų98.749%0.48750%0.497SS..Hα-helixtrans-57.9-39.5178.6-69.7-28.8000111.6D453 Q454 E460 E461D453-N457 WeakPolarHBondContact O-CB 3.35Å; D453-N457 PolarHBondContact O-N 3.12Å; D453-N457 PolarHBondContact O-ND2 2.7Å; Q454-N457 PolarHBondContact O-N 3.31Å; N457-E460 PolarHBondContact O-N 3.4Å; N457-E461 PolarHBondContact O-N 3.36Å
458T98Very high97.9Very high70 Ų7099.2 Ų99.243%0.42950%0.499SS..Hα-helixtrans-64.8-40.4175.9-540000112Q454 Q455 K456 Q462Q454-T458 WeakPolarHBondContact O-CB 3.4Å; Q454-T458 PolarHBondContact O-N 3.46Å; Q454-T458 PolarHBondContact O-OG1 3.43Å; Q455-T458 WeakPolarHBondContact O-CB 3.24Å; Q455-T458 PolarHBondContact O-N 3.39Å; K456-T458 VanDerWaalsContact C-N 3.25Å; K456-T458 PolarHBondContact O-N 2.88Å; T458-Q462 WeakPolarHBondContact O-CG 3.39Å; T458-Q462 PolarHBondContact O-N 2.94Å
459L97.3Very high97.9Very high93 Ų93101.6 Ų101.649%0.48750%0.501SS..Hα-helixtrans-71.3-35.8175.9-70.7170.2000112.2Q455 K456 Q462 L463Q455-L459 WeakPolarHBondContact O-CG 3.42Å; Q455-L459 PolarHBondContact O-N 3.23Å; K456-L459 CarbonylContact O-C 3.18Å; K456-L459 PolarHBondContact O-N 2.95Å; K456-L459 VanDerWaalsContact O-N 3.08Å; L459-Q462 PolarHBondContact O-N 2.81Å; L459-L463 WeakPolarHBondContact O-CB 3.47Å; L459-L463 VanDerWaalsContact O-CG 3.26Å; L459-L463 WeakPolarHBondContact O-CG 3.46Å; L459-L463 PolarHBondContact O-N 3.4Å
460E97.5Very high97.8Very high104 Ų104100.8 Ų100.849%0.48650%0.5SS..Hα-helixtrans-65.5-39.3173.3-73.5-176.8-176.300111.7K456 N457 L463 S464K456-E460 WeakPolarHBondContact CE-OE1 3.41Å; K456-E460 HydrophobicContact CG-CG 4.45Å; K456-E460 IonicContact NZ-OE1 3.21Å; K456-E460 WeakPolarHBondContact O-CG 3.45Å; K456-E460 PolarHBondContact O-N 2.92Å; N457-E460 PolarHBondContact O-N 3.4Å; E460-L463 PolarHBondContact O-N 3.27Å; E460-S464 WeakPolarHBondContact O-CB 3.46Å; E460-S464 PolarHBondContact O-N 3Å
461E98.3Very high97.9Very high145 Ų145100.1 Ų100.168%0.67850%0.501SS*.Hα-helixtrans-63.7-45.3172.1-174.6172.7-148.900111.8N457 L463 S464 L465N457-E461 PolarHBondContact O-N 3.36Å; E461-L463 PolarHBondContact O-N 3.04Å; E461-S464 WeakPolarHBondContact O-CB 3.46Å; E461-S464 PolarHBondContact O-N 3.14Å; E461-L465 PolarHBondContact O-N 2.9Å
462Q98.2Very high97.9Very high106 Ų106101 Ų10150%0.49551%0.505SS..Hα-helixtrans-62.2-42.1175.3-73.217814.900112.4T458 L459 S464 L465 I466T458-Q462 WeakPolarHBondContact O-CG 3.39Å; T458-Q462 PolarHBondContact O-N 2.94Å; L459-Q462 PolarHBondContact O-N 2.81Å; Q462-S464 VanDerWaalsContact C-N 3.32Å; Q462-S464 PolarHBondContact O-N 3.49Å; Q462-L465 PolarHBondContact O-N 3.33Å; Q462-I466 WeakPolarHBondContact O-CB 3.5Å; Q462-I466 VanDerWaalsContact O-CG1 3.27Å; Q462-I466 WeakPolarHBondContact O-CG1 3.28Å; Q462-I466 PolarHBondContact O-N 3.38Å
463L97.5Very high97.9Very high91 Ų91100.1 Ų100.148%0.47650%0.498SS..Hα-helixtrans-65.9-34.6175-74.5170.2000112.1L459 E460 E461 R467L459-L463 WeakPolarHBondContact O-CB 3.47Å; L459-L463 VanDerWaalsContact O-CG 3.26Å; L459-L463 WeakPolarHBondContact O-CG 3.46Å; L459-L463 PolarHBondContact O-N 3.4Å; E460-L463 PolarHBondContact O-N 3.27Å; E461-L463 PolarHBondContact O-N 3.04Å; L463-R467 WeakPolarHBondContact O-CB 3.44Å; L463-R467 WeakPolarHBondContact O-CD 3.31Å; L463-R467 WeakPolarHBondContact O-CG 3.05Å; L463-R467 PolarHBondContact O-N 3.42Å
464S98.3Very high97.9Very high74 Ų74100 Ų10052%0.51750%0.5SS..Hα-helixtrans-63.8-48.2173-1690000111.2E460 E461 Q462 R467 Q468E460-S464 WeakPolarHBondContact O-CB 3.46Å; E460-S464 PolarHBondContact O-N 3Å; E461-S464 WeakPolarHBondContact O-CB 3.46Å; E461-S464 PolarHBondContact O-N 3.14Å; Q462-S464 VanDerWaalsContact C-N 3.32Å; Q462-S464 PolarHBondContact O-N 3.49Å; S464-R467 PolarHBondContact O-N 3.34Å; S464-Q468 WeakPolarHBondContact O-CB 3.42Å; S464-Q468 PolarHBondContact O-N 2.89Å
465L98.3Very high97.9Very high106 Ų106100.5 Ų100.556%0.55550%0.503SS*.Hα-helixtrans-62.1-45.4177.9-17962.1000112.2E461 Q462 Q468 Q469E461-L465 PolarHBondContact O-N 2.9Å; Q462-L465 PolarHBondContact O-N 3.33Å; L465-Q468 PolarHBondContact O-N 2.92Å; L465-Q469 PolarHBondContact O-N 3Å
466I97.8Very high97.9Very high95 Ų95101 Ų10149%0.48751%0.508SS..Hα-helixtrans-61.5-45.5176.7-69.1165.1000110.4Q462 Q468 Q469 T470Q462-I466 WeakPolarHBondContact O-CB 3.5Å; Q462-I466 VanDerWaalsContact O-CG1 3.27Å; Q462-I466 WeakPolarHBondContact O-CG1 3.28Å; Q462-I466 PolarHBondContact O-N 3.38Å; I466-Q468 VanDerWaalsContact C-N 3.31Å; I466-Q468 PolarHBondContact O-N 3.29Å; I466-Q469 PolarHBondContact O-N 3.06Å; I466-T470 PolarHBondContact O-N 2.91Å; I466-T470 PolarHBondContact O-OG1 3.14Å; I466-T470 VanDerWaalsContact O-OG1 3.14Å
467R97.6Very high97.9Very high186 Ų186100.4 Ų100.470%0.70251%0.509SS*.Hα-helixtrans-60.9-39.2175.4-75.1168.8178-176.20.6112.4L463 S464 S471L463-R467 WeakPolarHBondContact O-CB 3.44Å; L463-R467 WeakPolarHBondContact O-CD 3.31Å; L463-R467 WeakPolarHBondContact O-CG 3.05Å; L463-R467 PolarHBondContact O-N 3.42Å; S464-R467 PolarHBondContact O-N 3.34Å; R467-S471 VanDerWaalsContact O-CB 3.32Å; R467-S471 WeakPolarHBondContact O-CB 3.47Å; R467-S471 PolarHBondContact O-N 3.41Å
468Q98.3Very high97.9Very high110 Ų11099.5 Ų99.551%0.51451%0.509SS..Hα-helixtrans-65.2-44.7176.1-171.9179.220.300111.3S464 L465 I466 S471 Q472S464-Q468 WeakPolarHBondContact O-CB 3.42Å; S464-Q468 PolarHBondContact O-N 2.89Å; L465-Q468 PolarHBondContact O-N 2.92Å; I466-Q468 VanDerWaalsContact C-N 3.31Å; I466-Q468 PolarHBondContact O-N 3.29Å; Q468-S471 WeakPolarHBondContact O-CB 3.33Å; Q468-S471 PolarHBondContact O-N 2.8Å; Q468-Q472 WeakPolarHBondContact O-CG 3.39Å; Q468-Q472 PolarHBondContact O-N 3.16Å
469Q98.3Very high97.9Very high104 Ų10499.7 Ų99.749%0.48651%0.514SS..Hα-helixtrans-61.6-51.2175.7178.9176.2-14.600111.3L465 I466 S471 Q472 E473L465-Q469 PolarHBondContact O-N 3Å; I466-Q469 PolarHBondContact O-N 3.06Å; Q469-S471 PolarHBondContact O-N 3.28Å; Q469-Q472 WeakPolarHBondContact O-CB 3.19Å; Q469-Q472 PolarHBondContact O-N 3.43Å; Q469-E473 HydrophobicContact CG-CG 4.31Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.45Å; Q469-E473 PolarHBondContact NE2-OE1 2.9Å; Q469-E473 WeakPolarHBondContact O-CG 3.47Å; Q469-E473 PolarHBondContact O-N 2.79Å
470T96.5Very high97.9Very high68 Ų6899.7 Ų99.742%0.41751%0.514SS..Hα-helixtrans-60.2-33.5177.2-57.70000112.1I466 T474I466-T470 PolarHBondContact O-N 2.91Å; I466-T470 PolarHBondContact O-OG1 3.14Å; I466-T470 VanDerWaalsContact O-OG1 3.14Å; T470-T474 VanDerWaalsContact O-CB 3.3Å; T470-T474 WeakPolarHBondContact O-CB 3.36Å; T470-T474 PolarHBondContact O-N 3.32Å; T470-T474 PolarHBondContact O-OG1 2.91Å
471S97.9Very high97.9Very high59 Ų59100.6 Ų100.641%0.41352%0.518SS..Hα-helixtrans-66.3-40172.8-173.10000112.6R467 Q468 Q469 Q475R467-S471 VanDerWaalsContact O-CB 3.32Å; R467-S471 WeakPolarHBondContact O-CB 3.47Å; R467-S471 PolarHBondContact O-N 3.41Å; Q468-S471 WeakPolarHBondContact O-CB 3.33Å; Q468-S471 PolarHBondContact O-N 2.8Å; Q469-S471 PolarHBondContact O-N 3.28Å; S471-Q475 WeakPolarHBondContact O-CB 3.48Å; S471-Q475 VanDerWaalsContact O-CG 3.28Å; S471-Q475 WeakPolarHBondContact O-CG 3.32Å; S471-Q475 PolarHBondContact O-N 3.02Å
472Q98.3Very high97.9Very high112 Ų11297.4 Ų97.452%0.52351%0.512SS..Hα-helixtrans-68.9-42.6175.5-70.8173.25.800111.6Q468 Q469 Q475 L476Q468-Q472 WeakPolarHBondContact O-CG 3.39Å; Q468-Q472 PolarHBondContact O-N 3.16Å; Q469-Q472 WeakPolarHBondContact O-CB 3.19Å; Q469-Q472 PolarHBondContact O-N 3.43Å; Q472-Q475 PolarHBondContact O-N 3.26Å; Q472-L476 WeakPolarHBondContact O-CB 3.32Å; Q472-L476 PolarHBondContact O-N 2.93Å
473E97.3Very high97.9Very high86 Ų8696.9 Ų96.940%0.40251%0.509SS..Hα-helixtrans-61.4-43174.9-70.5168.3170.400111.1Q469 Q475 L476 I477Q469-E473 HydrophobicContact CG-CG 4.31Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.45Å; Q469-E473 PolarHBondContact NE2-OE1 2.9Å; Q469-E473 WeakPolarHBondContact O-CG 3.47Å; Q469-E473 PolarHBondContact O-N 2.79Å; E473-Q475 PolarHBondContact O-N 3.01Å; E473-L476 PolarHBondContact O-N 3.4Å; E473-I477 WeakPolarHBondContact O-CB 3.18Å; E473-I477 WeakPolarHBondContact O-CD1 3.18Å; E473-I477 VanDerWaalsContact O-CG1 3.24Å; E473-I477 WeakPolarHBondContact O-CG1 3.41Å; E473-I477 PolarHBondContact O-N 2.94Å
474T97.9Very high97.8Very high83 Ų8397.6 Ų97.651%0.50951%0.51SS..Hα-helixtrans-63.5-40.5175.1-56.70000111.9T470 S478T470-T474 VanDerWaalsContact O-CB 3.3Å; T470-T474 WeakPolarHBondContact O-CB 3.36Å; T470-T474 PolarHBondContact O-N 3.32Å; T470-T474 PolarHBondContact O-OG1 2.91Å; T474-S478 WeakPolarHBondContact O-CB 3.48Å; T474-S478 PolarHBondContact O-N 3.13Å
475Q98.1Very high97.8Very high128 Ų12899.4 Ų99.460%0.59851%0.51SS*.Hα-helixtrans-65.8-40.4175.2-75.9171.7-2.800112.1S471 Q472 E473 S478 S479S471-Q475 WeakPolarHBondContact O-CB 3.48Å; S471-Q475 VanDerWaalsContact O-CG 3.28Å; S471-Q475 WeakPolarHBondContact O-CG 3.32Å; S471-Q475 PolarHBondContact O-N 3.02Å; Q472-Q475 PolarHBondContact O-N 3.26Å; E473-Q475 PolarHBondContact O-N 3.01Å; Q475-S478 PolarHBondContact O-N 2.93Å; Q475-S479 PolarHBondContact O-N 3.3Å
476L98.3Very high97.8Very high106 Ų106100.4 Ų100.456%0.55551%0.512SS*.Hα-helixtrans-65.2-45175.5-179.760.5000111.6Q472 E473 S478 S479 L480Q472-L476 WeakPolarHBondContact O-CB 3.32Å; Q472-L476 PolarHBondContact O-N 2.93Å; E473-L476 PolarHBondContact O-N 3.4Å; L476-S478 VanDerWaalsContact C-N 3.35Å; L476-S478 PolarHBondContact O-N 2.96Å; L476-S479 WeakPolarHBondContact O-CB 3.27Å; L476-S479 PolarHBondContact O-N 3.47Å; L476-L480 HydrophobicContact CD1-CD1 4.18Å; L476-L480 HydrophobicContact CD1-CG 4.27Å; L476-L480 HydrophobicContact CG-CD1 4.03Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 2.97Å
477I97.7Very high97.8Very high92 Ų92101 Ų10147%0.47251%0.512SS..Hα-helixtrans-59.2-46.2174.8-69.7162.9000110.3E473 S479 L480 Q481E473-I477 WeakPolarHBondContact O-CB 3.18Å; E473-I477 WeakPolarHBondContact O-CD1 3.18Å; E473-I477 VanDerWaalsContact O-CG1 3.24Å; E473-I477 WeakPolarHBondContact O-CG1 3.41Å; E473-I477 PolarHBondContact O-N 2.94Å; I477-S479 VanDerWaalsContact C-N 3.29Å; I477-S479 PolarHBondContact O-N 3.26Å; I477-L480 PolarHBondContact O-N 3.43Å; I477-Q481 HydrophobicContact CG2-CG 4.34Å; I477-Q481 WeakPolarHBondContact O-CB 3.49Å; I477-Q481 VanDerWaalsContact O-CG 3.29Å; I477-Q481 WeakPolarHBondContact O-CG 3.18Å; I477-Q481 PolarHBondContact O-N 3Å
478S97.8Very high97.8Very high71 Ų7196.7 Ų96.750%0.49750%0.501SS..Hα-helixtrans-62.7-33.7176.7-175.10000113T474 Q475 L476 S482T474-S478 WeakPolarHBondContact O-CB 3.48Å; T474-S478 PolarHBondContact O-N 3.13Å; Q475-S478 PolarHBondContact O-N 2.93Å; L476-S478 VanDerWaalsContact C-N 3.35Å; L476-S478 PolarHBondContact O-N 2.96Å; S478-S482 PolarHBondContact O-N 3.19Å
479S98.3Very high97.8Very high74 Ų7497.2 Ų97.252%0.51750%0.503SS..Hα-helixtrans-70.1-44.8174.9-167.40000111.5Q475 L476 I477 Q481 S482 E483Q475-S479 PolarHBondContact O-N 3.3Å; L476-S479 WeakPolarHBondContact O-CB 3.27Å; L476-S479 PolarHBondContact O-N 3.47Å; I477-S479 VanDerWaalsContact C-N 3.29Å; I477-S479 PolarHBondContact O-N 3.26Å; S479-Q481 VanDerWaalsContact C-N 3.34Å; S479-S482 PolarHBondContact O-N 3.36Å; S479-E483 PolarHBondContact O-N 3.24Å
480L97.8Very high97.8Very high94 Ų9497.2 Ų97.249%0.49250%0.501SS..Hα-helixtrans-67.7-33.7178.4-69.6170.1000112.1L476 I477 E483 H484L476-L480 HydrophobicContact CD1-CD1 4.18Å; L476-L480 HydrophobicContact CD1-CG 4.27Å; L476-L480 HydrophobicContact CG-CD1 4.03Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 2.97Å; I477-L480 PolarHBondContact O-N 3.43Å; L480-E483 PolarHBondContact O-N 3.07Å; L480-H484 WeakPolarHBondContact O-CB 3.48Å; L480-H484 PolarHBondContact O-N 3.45Å
481Q97.6Very high97.8Very high123 Ų12398.5 Ų98.558%0.57551%0.505SS*.Hα-helixtrans-64.5-43.3171.9-76.9173.3-2700111.7I477 S479 E483 H484 E485I477-Q481 HydrophobicContact CG2-CG 4.34Å; I477-Q481 WeakPolarHBondContact O-CB 3.49Å; I477-Q481 VanDerWaalsContact O-CG 3.29Å; I477-Q481 WeakPolarHBondContact O-CG 3.18Å; I477-Q481 PolarHBondContact O-N 3Å; S479-Q481 VanDerWaalsContact C-N 3.34Å; Q481-E483 VanDerWaalsContact C-N 3.33Å; Q481-E483 PolarHBondContact O-N 2.86Å; Q481-H484 PolarHBondContact O-N 2.89Å; Q481-E485 PolarHBondContact O-N 3.3Å
482S97.8Very high97.8Very high77 Ų7799 Ų9954%0.53851%0.507SS..Hα-helixtrans-66.1-34.9175.1-171.50000112.6S478 S479 E486S478-S482 PolarHBondContact O-N 3.19Å; S479-S482 PolarHBondContact O-N 3.36Å; S482-E486 PolarHBondContact O-N 3.44Å; S482-E486 VanDerWaalsContact O-N 3.12Å
483E98.1Very high97.8Very high96 Ų9698.1 Ų98.145%0.44950%0.503SS..Hα-helixtrans-71-38.8174.9-169.3-179.3172.600111.6S479 L480 Q481 E486 Q487S479-E483 PolarHBondContact O-N 3.24Å; L480-E483 PolarHBondContact O-N 3.07Å; Q481-E483 VanDerWaalsContact C-N 3.33Å; Q481-E483 PolarHBondContact O-N 2.86Å; E483-E486 PolarHBondContact O-N 2.67Å; E483-Q487 WeakPolarHBondContact O-CB 3.37Å; E483-Q487 VanDerWaalsContact O-CG 3.28Å; E483-Q487 WeakPolarHBondContact O-CG 3.31Å; E483-Q487 PolarHBondContact O-N 3.16Å; E483-Q487 PolarHBondContact OE1-NE2 3.5Å
484H96.3Very high97.8Very high105 Ų105100.9 Ų100.949%0.48651%0.511SS..Hα-helixtrans-61.8-45.6173.5-168.1-76.6000111.3L480 Q481 E486 Q487 E488L480-H484 WeakPolarHBondContact O-CB 3.48Å; L480-H484 PolarHBondContact O-N 3.45Å; Q481-H484 PolarHBondContact O-N 2.89Å; H484-E486 PolarHBondContact O-N 2.95Å; H484-Q487 CarbonylContact O-C 3.52Å; H484-Q487 PolarHBondContact O-N 3.19Å; H484-Q487 VanDerWaalsContact O-N 3.14Å; H484-E488 IonicContact CE1-OE1 2.78Å; H484-E488 IonicContact CE1-OE2 3.12Å; H484-E488 PolarHBondContact CE1-OE2 3.07Å; H484-E488 IonicContact ND1-OE1 3.63Å; H484-E488 IonicContact ND1-OE2 3.47Å; H484-E488 PolarHBondContact ND1-OE2 3.25Å; H484-E488 WeakPolarHBondContact O-CG 3.41Å; H484-E488 PolarHBondContact O-N 3.14Å
485E98.1Very high97.7Very high113 Ų113102.5 Ų102.553%0.52851%0.513SS..Hα-helixtrans-63.5-39.2177.7-163.2-174.6162.700111.8Q481 E488 Q489Q481-E485 PolarHBondContact O-N 3.3Å; E485-E488 PolarHBondContact O-N 2.97Å; E485-Q489 WeakPolarHBondContact O-CB 3.47Å; E485-Q489 VanDerWaalsContact O-CG 3.24Å; E485-Q489 WeakPolarHBondContact O-CG 3.32Å; E485-Q489 PolarHBondContact O-N 2.79Å; E485-Q489 PolarHBondContact OE1-NE2 3.22Å
486E98.1Very high97.7Very high127 Ų127101.9 Ų101.959%0.59351%0.51SS*.Hα-helixtrans-63.8-41.1172.3-169.8-174.4153.500111.6S482 E483 H484 K490S482-E486 PolarHBondContact O-N 3.44Å; S482-E486 VanDerWaalsContact O-N 3.12Å; E483-E486 PolarHBondContact O-N 2.67Å; H484-E486 PolarHBondContact O-N 2.95Å; E486-K490 VanDerWaalsContact O-CB 3.28Å; E486-K490 WeakPolarHBondContact O-CB 3.39Å; E486-K490 PolarHBondContact O-N 2.95Å
487Q98Very high97.7Very high106 Ų106100.3 Ų100.350%0.49550%0.502SS..Hα-helixtrans-66.3-40.9176.9-72179.429.600112.1E483 H484 K490 I491E483-Q487 WeakPolarHBondContact O-CB 3.37Å; E483-Q487 VanDerWaalsContact O-CG 3.28Å; E483-Q487 WeakPolarHBondContact O-CG 3.31Å; E483-Q487 PolarHBondContact O-N 3.16Å; E483-Q487 PolarHBondContact OE1-NE2 3.5Å; H484-Q487 CarbonylContact O-C 3.52Å; H484-Q487 PolarHBondContact O-N 3.19Å; H484-Q487 VanDerWaalsContact O-N 3.14Å; Q487-K490 WeakPolarHBondContact O-CB 3.46Å; Q487-K490 PolarHBondContact O-N 2.95Å; Q487-I491 VanDerWaalsContact O-CG1 3.31Å; Q487-I491 WeakPolarHBondContact O-CG1 3.16Å; Q487-I491 PolarHBondContact O-N 2.88Å
488E97Very high97.7Very high97 Ų97100 Ų10045%0.45350%0.501SS..Hα-helixtrans-63.1-49.1174.5-75.9177.111700111.7H484 E485 K490 I491 C492H484-E488 IonicContact CE1-OE1 2.78Å; H484-E488 IonicContact CE1-OE2 3.12Å; H484-E488 PolarHBondContact CE1-OE2 3.07Å; H484-E488 IonicContact ND1-OE1 3.63Å; H484-E488 IonicContact ND1-OE2 3.47Å; H484-E488 PolarHBondContact ND1-OE2 3.25Å; H484-E488 WeakPolarHBondContact O-CG 3.41Å; H484-E488 PolarHBondContact O-N 3.14Å; E485-E488 PolarHBondContact O-N 2.97Å; E488-K490 PolarHBondContact O-N 3.36Å; E488-I491 PolarHBondContact O-N 3.15Å; E488-I491 VanDerWaalsContact O-N 3.1Å; E488-C492 PolarHBondContact O-N 2.88Å; E488-C492 PolarHBondContact O-SG 2.66Å; E488-C492 VanDerWaalsContact O-SG 3.37Å
489Q98.3Very high97.7Very high120 Ų120100.1 Ų100.156%0.56150%0.498SS*.Hα-helixtrans-56.2-37.5175.5-72.2174.928.300111.7E485 Q493E485-Q489 WeakPolarHBondContact O-CB 3.47Å; E485-Q489 VanDerWaalsContact O-CG 3.24Å; E485-Q489 WeakPolarHBondContact O-CG 3.32Å; E485-Q489 PolarHBondContact O-N 2.79Å; E485-Q489 PolarHBondContact OE1-NE2 3.22Å; Q489-Q493 PolarHBondContact O-N 3.23Å
490K98.1Very high97.7Very high105 Ų105102 Ų10246%0.45750%0.499SS..Hα-helixtrans-72.9-35.4178-164.1175.4-162.8161.60113.3E486 Q487 E488 Q493 Y494E486-K490 VanDerWaalsContact O-CB 3.28Å; E486-K490 WeakPolarHBondContact O-CB 3.39Å; E486-K490 PolarHBondContact O-N 2.95Å; Q487-K490 WeakPolarHBondContact O-CB 3.46Å; Q487-K490 PolarHBondContact O-N 2.95Å; E488-K490 PolarHBondContact O-N 3.36Å; K490-Q493 PolarHBondContact O-N 3.05Å; K490-Y494 HydrophobicContact CD-CE2 4.4Å; K490-Y494 HydrophobicContact CG-CD2 4.38Å; K490-Y494 HydrophobicContact CG-CE2 3.79Å; K490-Y494 VanDerWaalsContact O-CD2 3.23Å; K490-Y494 WeakPolarHBondContact O-CD2 3.27Å; K490-Y494 PolarHBondContact O-N 3.41Å; K490-Y494 VanDerWaalsContact O-N 3.09Å
491I97.1Very high97.7Very high95 Ų95100 Ų10049%0.48750%0.496SS..Hα-helixtrans-64.4-47.8171.2-70.7163.3000109.5Q487 E488 Q493 Y494 E495Q487-I491 VanDerWaalsContact O-CG1 3.31Å; Q487-I491 WeakPolarHBondContact O-CG1 3.16Å; Q487-I491 PolarHBondContact O-N 2.88Å; E488-I491 PolarHBondContact O-N 3.15Å; E488-I491 VanDerWaalsContact O-N 3.1Å; I491-Q493 VanDerWaalsContact C-N 3.3Å; I491-Q493 PolarHBondContact O-N 2.94Å; I491-Y494 PolarHBondContact O-N 3.22Å; I491-E495 HydrophobicContact CG2-CG 4.43Å; I491-E495 WeakPolarHBondContact O-CG 3.46Å; I491-E495 PolarHBondContact O-N 3.16Å
492C97.8Very high97.6Very high68 Ų68101.1 Ų101.146%0.45950%0.495SS..Hα-helixtrans-56-42.9175.6-660000112.3E488 Y494 E495 E496E488-C492 PolarHBondContact O-N 2.88Å; E488-C492 PolarHBondContact O-SG 2.66Å; E488-C492 VanDerWaalsContact O-SG 3.37Å; C492-Y494 PolarHBondContact O-N 3.06Å; C492-E495 PolarHBondContact O-N 3.23Å; C492-E496 PolarHBondContact O-N 3.38Å
493Q97.9Very high97.6Very high95 Ų95103.8 Ų103.844%0.44450%0.499SS..Hα-helixtrans-61.5-43.9174.8-172.963.773.200112.2Q489 K490 I491 E495 E496 D497Q489-Q493 PolarHBondContact O-N 3.23Å; K490-Q493 PolarHBondContact O-N 3.05Å; I491-Q493 VanDerWaalsContact C-N 3.3Å; I491-Q493 PolarHBondContact O-N 2.94Å; Q493-E495 VanDerWaalsContact C-N 3.3Å; Q493-E495 PolarHBondContact O-N 3.21Å; Q493-E496 PolarHBondContact O-N 3.41Å; Q493-D497 PolarHBondContact NE2-OD1 3.16Å; Q493-D497 WeakPolarHBondContact O-CB 3.43Å; Q493-D497 PolarHBondContact O-N 3.41Å
494Y97.6Very high97.6Very high143 Ų143105.4 Ų105.456%0.56151%0.506SS*.Hα-helixtrans-67.6-29.1176.7-67.1-39.8000113.1K490 I491 C492 L498K490-Y494 HydrophobicContact CD-CE2 4.4Å; K490-Y494 HydrophobicContact CG-CD2 4.38Å; K490-Y494 HydrophobicContact CG-CE2 3.79Å; K490-Y494 VanDerWaalsContact O-CD2 3.23Å; K490-Y494 WeakPolarHBondContact O-CD2 3.27Å; K490-Y494 PolarHBondContact O-N 3.41Å; K490-Y494 VanDerWaalsContact O-N 3.09Å; I491-Y494 PolarHBondContact O-N 3.22Å; C492-Y494 PolarHBondContact O-N 3.06Å; Y494-L498 WeakPolarHBondContact O-CB 3.48Å; Y494-L498 PolarHBondContact O-N 2.92Å
495E97Very high97.7Very high118 Ų118105 Ų10555%0.55151%0.507SS*.Hα-helixtrans-70.1-42.6171.6-70.7-172.5162.100111.9I491 C492 Q493 L498 V499I491-E495 HydrophobicContact CG2-CG 4.43Å; I491-E495 WeakPolarHBondContact O-CG 3.46Å; I491-E495 PolarHBondContact O-N 3.16Å; C492-E495 PolarHBondContact O-N 3.23Å; Q493-E495 VanDerWaalsContact C-N 3.3Å; Q493-E495 PolarHBondContact O-N 3.21Å; E495-L498 PolarHBondContact O-N 3.07Å; E495-V499 WeakPolarHBondContact O-CG2 3.3Å; E495-V499 PolarHBondContact O-N 3.23Å
496E98.1Very high97.7Very high115 Ų115104.9 Ų104.954%0.53751%0.51SS..Hα-helixtrans-61.1-47.1172.6-73.6-170.5-178.700111.9C492 Q493 L498 V499 Q500C492-E496 PolarHBondContact O-N 3.38Å; Q493-E496 PolarHBondContact O-N 3.41Å; E496-L498 VanDerWaalsContact C-N 3.3Å; E496-L498 PolarHBondContact O-N 3.34Å; E496-V499 PolarHBondContact O-N 2.89Å; E496-Q500 WeakPolarHBondContact O-CG 3.07Å; E496-Q500 PolarHBondContact O-N 2.71Å
497D97.6Very high97.7Very high72 Ų72101.8 Ų101.839%0.38551%0.506SS..Hα-helixtrans-60.2-40.6176.9-68.70.9000111.2Q493 Q500 A501Q493-D497 PolarHBondContact NE2-OD1 3.16Å; Q493-D497 WeakPolarHBondContact O-CB 3.43Å; Q493-D497 PolarHBondContact O-N 3.41Å; D497-Q500 PolarHBondContact O-N 2.92Å; D497-A501 WeakPolarHBondContact O-CB 3.44Å; D497-A501 PolarHBondContact O-N 3.01Å
498L97.1Very high97.7Very high87 Ų87101.2 Ų101.246%0.45551%0.506SS..Hα-helixtrans-68.4-35.2177-179.263.4000112.5Y494 E495 E496 R502Y494-L498 WeakPolarHBondContact O-CB 3.48Å; Y494-L498 PolarHBondContact O-N 2.92Å; E495-L498 PolarHBondContact O-N 3.07Å; E496-L498 VanDerWaalsContact C-N 3.3Å; E496-L498 PolarHBondContact O-N 3.34Å; L498-R502 WeakPolarHBondContact O-CB 3.37Å; L498-R502 WeakPolarHBondContact O-CD 3.44Å; L498-R502 WeakPolarHBondContact O-CG 3.23Å; L498-R502 PolarHBondContact O-N 3.41Å; L498-R502 VanDerWaalsContact O-N 3.13Å
499V98.1Very high97.7Very high72 Ų72102 Ų10244%0.43651%0.509SS..Hα-helixtrans-66.9-47.7172.5168.70000110.3E495 E496 A501 R502 E503E495-V499 WeakPolarHBondContact O-CG2 3.3Å; E495-V499 PolarHBondContact O-N 3.23Å; E496-V499 PolarHBondContact O-N 2.89Å; V499-A501 PolarHBondContact O-N 3.4Å; V499-R502 WeakPolarHBondContact O-CB 3.06Å; V499-R502 PolarHBondContact O-N 2.91Å; V499-R502 VanDerWaalsContact O-N 3.09Å; V499-E503 PolarHBondContact O-N 3.05Å
500Q98.1Very high97.7Very high113 Ų113100.4 Ų100.453%0.52850%0.502SS..Hα-helixtrans-58-45.6177-70.8175.155.300111.9E496 D497 R502 E503 E504E496-Q500 WeakPolarHBondContact O-CG 3.07Å; E496-Q500 PolarHBondContact O-N 2.71Å; D497-Q500 PolarHBondContact O-N 2.92Å; Q500-R502 VanDerWaalsContact C-N 3.29Å; Q500-R502 PolarHBondContact O-N 3.44Å; Q500-E503 PolarHBondContact O-N 3.4Å; Q500-E504 PolarHBondContact O-N 3.29Å
501A97.5Very high97.6Very high53 Ų53100.8 Ų100.844%0.43851%0.505SS..Hα-helixtrans-63.7-31.8176.700000113.2D497 V499 L505D497-A501 WeakPolarHBondContact O-CB 3.44Å; D497-A501 PolarHBondContact O-N 3.01Å; V499-A501 PolarHBondContact O-N 3.4Å; A501-L505 VanDerWaalsContact O-CB 3.32Å; A501-L505 WeakPolarHBondContact O-CB 3.41Å; A501-L505 PolarHBondContact O-N 3.13Å
502R96.8Very high97.5Very high147 Ų14799.8 Ų99.856%0.55551%0.507SS*.Hα-helixtrans-71.5-39.8173.1-74.7165.5175.3177.2-0.4111.9L498 V499 Q500 L505 L506L498-R502 WeakPolarHBondContact O-CB 3.37Å; L498-R502 WeakPolarHBondContact O-CD 3.44Å; L498-R502 WeakPolarHBondContact O-CG 3.23Å; L498-R502 PolarHBondContact O-N 3.41Å; L498-R502 VanDerWaalsContact O-N 3.13Å; V499-R502 WeakPolarHBondContact O-CB 3.06Å; V499-R502 PolarHBondContact O-N 2.91Å; V499-R502 VanDerWaalsContact O-N 3.09Å; Q500-R502 VanDerWaalsContact C-N 3.29Å; Q500-R502 PolarHBondContact O-N 3.44Å; R502-L505 PolarHBondContact O-N 3.26Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.21Å
503E98Very high97.5Very high133 Ų133101.7 Ų101.762%0.62151%0.505SS*.Hα-helixtrans-66.1-42.1175.4-69.1-168.4162.400111.9V499 Q500 L506 A507V499-E503 PolarHBondContact O-N 3.05Å; Q500-E503 PolarHBondContact O-N 3.4Å; E503-L506 PolarHBondContact O-N 3.34Å; E503-A507 WeakPolarHBondContact O-CB 3.24Å; E503-A507 PolarHBondContact O-N 2.99Å
504E97.9Very high97.5Very high129 Ų129102.4 Ų102.460%0.60351%0.506SS*.Hα-helixtrans-62.1-44.6173.4-173.9177-165.900111.4Q500 L506 A507 L508Q500-E504 PolarHBondContact O-N 3.29Å; E504-L506 VanDerWaalsContact C-N 3.32Å; E504-L506 PolarHBondContact O-N 2.67Å; E504-A507 PolarHBondContact O-N 3.46Å; E504-L508 HydrophobicContact CG-CD1 4.07Å; E504-L508 HydrophobicContact CG-CG 4.43Å; E504-L508 WeakPolarHBondContact O-CB 3.48Å; E504-L508 WeakPolarHBondContact O-CG 3.38Å; E504-L508 PolarHBondContact O-N 2.81Å
505L97.6Very high97.4Very high97 Ų9799.5 Ų99.551%0.50850%0.5SS..Hα-helixtrans-60.1-40.7176.4-178.962.5000112.2A501 R502 L508 Q509A501-L505 VanDerWaalsContact O-CB 3.32Å; A501-L505 WeakPolarHBondContact O-CB 3.41Å; A501-L505 PolarHBondContact O-N 3.13Å; R502-L505 PolarHBondContact O-N 3.26Å; L505-L508 PolarHBondContact O-N 3.25Å; L505-Q509 WeakPolarHBondContact O-CB 3.4Å; L505-Q509 VanDerWaalsContact O-CG 3.3Å; L505-Q509 WeakPolarHBondContact O-CG 3.4Å; L505-Q509 PolarHBondContact O-N 2.79Å
506L98.1Very high97.4Very high111 Ų111100.3 Ų100.358%0.58150%0.503SS*.Hα-helixtrans-66.7-39.8175.4-73.8169.7000112R502 E503 E504 Q509 E510R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.21Å; E503-L506 PolarHBondContact O-N 3.34Å; E504-L506 VanDerWaalsContact C-N 3.32Å; E504-L506 PolarHBondContact O-N 2.67Å; L506-Q509 PolarHBondContact O-N 3.37Å; L506-E510 PolarHBondContact O-N 2.95Å
507A97.9Very high97.3Very high62 Ų6299.5 Ų99.551%0.51250%0.5SS..Hα-helixtrans-63.2-42.8174.900000111.9E503 E504 E510 E511E503-A507 WeakPolarHBondContact O-CB 3.24Å; E503-A507 PolarHBondContact O-N 2.99Å; E504-A507 PolarHBondContact O-N 3.46Å; A507-E510 PolarHBondContact O-N 2.89Å; A507-E511 PolarHBondContact O-N 2.83Å
508L97.6Very high97.3Very high93 Ų93101.9 Ų101.949%0.48751%0.507SS..Hα-helixtrans-67.4-34.6175.3-70.2171.7000112.6E504 L505 S512E504-L508 HydrophobicContact CG-CD1 4.07Å; E504-L508 HydrophobicContact CG-CG 4.43Å; E504-L508 WeakPolarHBondContact O-CB 3.48Å; E504-L508 WeakPolarHBondContact O-CG 3.38Å; E504-L508 PolarHBondContact O-N 2.81Å; L505-L508 PolarHBondContact O-N 3.25Å; L508-S512 VanDerWaalsContact O-CB 3.24Å; L508-S512 WeakPolarHBondContact O-CB 3.44Å; L508-S512 PolarHBondContact O-N 2.87Å
509Q97.3Very high97.3Very high113 Ų113102.2 Ų102.253%0.52851%0.512SS..Hα-helixtrans-65.8-43.7172.2-77.41799.200111.9L505 L506 S512 R513L505-Q509 WeakPolarHBondContact O-CB 3.4Å; L505-Q509 VanDerWaalsContact O-CG 3.3Å; L505-Q509 WeakPolarHBondContact O-CG 3.4Å; L505-Q509 PolarHBondContact O-N 2.79Å; L506-Q509 PolarHBondContact O-N 3.37Å; Q509-S512 PolarHBondContact O-N 3.38Å; Q509-R513 WeakPolarHBondContact O-CB 3.4Å; Q509-R513 PolarHBondContact O-N 3.01Å
510E97.6Very high97.2Very high87 Ų87103.8 Ų103.841%0.40752%0.515SS..Hα-helixtrans-65.6-39.7175.4172.855.7-158.800111.9L506 A507 R513 K514L506-E510 PolarHBondContact O-N 2.95Å; A507-E510 PolarHBondContact O-N 2.89Å; E510-R513 VanDerWaalsContact CD-NH2 3.34Å; E510-R513 IonicContact OE1-CZ 3.81Å; E510-R513 IonicContact OE1-NE 3.69Å; E510-R513 IonicContact OE1-NH2 3.91Å; E510-R513 PolarHBondContact OE1-NH2 2.92Å; E510-R513 IonicContact OE2-CZ 4Å; E510-R513 IonicContact OE2-NE 2.68Å; E510-R513 PolarHBondContact OE2-NE 2.97Å; E510-R513 IonicContact OE2-NH2 2.87Å; E510-R513 PolarHBondContact OE2-NH2 2.79Å; E510-R513 VanDerWaalsContact OE2-NH2 3.12Å; E510-K514 WeakPolarHBondContact O-CB 3.47Å; E510-K514 PolarHBondContact O-N 2.67Å
511E97.3Very high97.1Very high113 Ų113100.3 Ų100.353%0.52851%0.505SS..Hα-helixtrans-63.1-46.1171.8176.1155.8-140.500111.6A507 R513 K514 L515A507-E511 PolarHBondContact O-N 2.83Å; E511-R513 PolarHBondContact O-N 3.01Å; E511-K514 CarbonylContact O-C 3.56Å; E511-K514 WeakPolarHBondContact O-CB 3.39Å; E511-K514 PolarHBondContact O-N 3.12Å; E511-K514 VanDerWaalsContact O-N 3.14Å; E511-L515 HydrophobicContact CG-CD1 3.59Å; E511-L515 VanDerWaalsContact O-CD1 3.24Å; E511-L515 WeakPolarHBondContact O-CD1 3.43Å; E511-L515 PolarHBondContact O-N 2.94Å
512S95.2Very high96.9Very high74 Ų74100.5 Ų100.552%0.51751%0.507SS..Hα-helixtrans-58.8-46.6177.4-174.10000111.7L508 Q509 K514 L515 Q516L508-S512 VanDerWaalsContact O-CB 3.24Å; L508-S512 WeakPolarHBondContact O-CB 3.44Å; L508-S512 PolarHBondContact O-N 2.87Å; Q509-S512 PolarHBondContact O-N 3.38Å; S512-K514 VanDerWaalsContact C-N 3.3Å; S512-K514 PolarHBondContact O-N 3.14Å; S512-L515 PolarHBondContact O-N 2.83Å; S512-L515 VanDerWaalsContact O-N 3.13Å; S512-Q516 WeakPolarHBondContact O-CB 3.34Å; S512-Q516 PolarHBondContact O-N 3.32Å
513R97.4Very high96.8Very high109 Ų10999.4 Ų99.441%0.41151%0.508SS..Hα-helixtrans-55.8-44.5173.7-167.2-169.971.266.712.1111.5Q509 E510 E511 Q516 E517Q509-R513 WeakPolarHBondContact O-CB 3.4Å; Q509-R513 PolarHBondContact O-N 3.01Å; E510-R513 VanDerWaalsContact CD-NH2 3.34Å; E510-R513 IonicContact OE1-CZ 3.81Å; E510-R513 IonicContact OE1-NE 3.69Å; E510-R513 IonicContact OE1-NH2 3.91Å; E510-R513 PolarHBondContact OE1-NH2 2.92Å; E510-R513 IonicContact OE2-CZ 4Å; E510-R513 IonicContact OE2-NE 2.68Å; E510-R513 PolarHBondContact OE2-NE 2.97Å; E510-R513 IonicContact OE2-NH2 2.87Å; E510-R513 PolarHBondContact OE2-NH2 2.79Å; E510-R513 VanDerWaalsContact OE2-NH2 3.12Å; E511-R513 PolarHBondContact O-N 3.01Å; R513-Q516 WeakPolarHBondContact O-CB 3.34Å; R513-Q516 PolarHBondContact O-N 3.03Å; R513-E517 IonicContact CZ-OE1 2.95Å; R513-E517 VanDerWaalsContact NH1-CD 3.34Å; R513-E517 IonicContact NH1-OE1 3.39Å; R513-E517 PolarHBondContact NH1-OE1 3.28Å; R513-E517 IonicContact NH1-OE2 3.84Å; R513-E517 IonicContact NH2-OE1 2.67Å; R513-E517 IonicContact NH2-OE2 3.91Å; R513-E517 WeakPolarHBondContact O-CG 3.28Å; R513-E517 PolarHBondContact O-N 3.44Å
514K97.4Very high96.6Very high110 Ų11098.4 Ų98.448%0.47850%0.503SS..Hα-helixtrans-73.4-23.5178.7-171.3177-171.4171.50113.8E510 E511 S512 K518E510-K514 WeakPolarHBondContact O-CB 3.47Å; E510-K514 PolarHBondContact O-N 2.67Å; E511-K514 CarbonylContact O-C 3.56Å; E511-K514 WeakPolarHBondContact O-CB 3.39Å; E511-K514 PolarHBondContact O-N 3.12Å; E511-K514 VanDerWaalsContact O-N 3.14Å; S512-K514 VanDerWaalsContact C-N 3.3Å; S512-K514 PolarHBondContact O-N 3.14Å; K514-K518 WeakPolarHBondContact O-CD 3.44Å; K514-K518 VanDerWaalsContact O-CG 3.26Å; K514-K518 WeakPolarHBondContact O-CG 3.44Å; K514-K518 PolarHBondContact O-N 3.36Å
515L96.5Very high96.5Very high82 Ų8298.9 Ų98.943%0.42951%0.506SS..Hα-helixtrans-75.7-41.5166.5-94.875.1000110.7E511 S512 E517 K518 V519E511-L515 HydrophobicContact CG-CD1 3.59Å; E511-L515 VanDerWaalsContact O-CD1 3.24Å; E511-L515 WeakPolarHBondContact O-CD1 3.43Å; E511-L515 PolarHBondContact O-N 2.94Å; S512-L515 PolarHBondContact O-N 2.83Å; S512-L515 VanDerWaalsContact O-N 3.13Å; L515-E517 PolarHBondContact O-N 2.88Å; L515-K518 WeakPolarHBondContact O-CB 3.3Å; L515-K518 PolarHBondContact O-N 3.46Å; L515-K518 VanDerWaalsContact O-N 3.12Å; L515-V519 WeakPolarHBondContact O-CG2 3.17Å; L515-V519 PolarHBondContact O-N 2.9Å
516Q96.6Very high96.4Very high134 Ų13499.1 Ų99.163%0.62651%0.507SS*.Hα-helixtrans-60.7-43176.2-173.9175.4-1000111.6S512 R513 K518 V519 Q520S512-Q516 WeakPolarHBondContact O-CB 3.34Å; S512-Q516 PolarHBondContact O-N 3.32Å; R513-Q516 WeakPolarHBondContact O-CB 3.34Å; R513-Q516 PolarHBondContact O-N 3.03Å; Q516-K518 PolarHBondContact O-N 3.46Å; Q516-V519 PolarHBondContact O-N 2.84Å; Q516-Q520 WeakPolarHBondContact O-CB 3.33Å; Q516-Q520 PolarHBondContact O-N 3.36Å
517E96.6Very high96.2Very high99 Ų9997.3 Ų97.346%0.46350%0.5SS..Hα-helixtrans-55.3-45.7170.6-75.4177.2156.700112.4R513 L515 A521R513-E517 IonicContact CZ-OE1 2.95Å; R513-E517 VanDerWaalsContact NH1-CD 3.34Å; R513-E517 IonicContact NH1-OE1 3.39Å; R513-E517 PolarHBondContact NH1-OE1 3.28Å; R513-E517 IonicContact NH1-OE2 3.84Å; R513-E517 IonicContact NH2-OE1 2.67Å; R513-E517 IonicContact NH2-OE2 3.91Å; R513-E517 WeakPolarHBondContact O-CG 3.28Å; R513-E517 PolarHBondContact O-N 3.44Å; L515-E517 PolarHBondContact O-N 2.88Å; E517-A521 WeakPolarHBondContact O-CB 3.41Å; E517-A521 PolarHBondContact O-N 2.91Å
518K96.8Very high96Very high122 Ų12297.8 Ų97.853%0.5350%0.498SS..Hα-helixtrans-65.9-40.7177.8-68164.9-168166.20112.2K514 L515 Q516 A521 A522K514-K518 WeakPolarHBondContact O-CD 3.44Å; K514-K518 VanDerWaalsContact O-CG 3.26Å; K514-K518 WeakPolarHBondContact O-CG 3.44Å; K514-K518 PolarHBondContact O-N 3.36Å; L515-K518 WeakPolarHBondContact O-CB 3.3Å; L515-K518 PolarHBondContact O-N 3.46Å; L515-K518 VanDerWaalsContact O-N 3.12Å; Q516-K518 PolarHBondContact O-N 3.46Å; K518-A521 PolarHBondContact O-N 3.31Å; K518-A522 WeakPolarHBondContact O-CB 3.33Å; K518-A522 PolarHBondContact O-N 3.26Å
519V96.4Very high95.8Very high94 Ų9498.6 Ų98.657%0.5750%0.502SS*.Hα-helixtrans-66.1-44.5178.31700000110.2L515 Q516 A522 Q523L515-V519 WeakPolarHBondContact O-CG2 3.17Å; L515-V519 PolarHBondContact O-N 2.9Å; Q516-V519 PolarHBondContact O-N 2.84Å; V519-A522 PolarHBondContact O-N 2.93Å; V519-Q523 WeakPolarHBondContact O-CB 3.19Å; V519-Q523 PolarHBondContact O-N 2.71Å
520Q96.3Very high95.6Very high105 Ų10598.9 Ų98.949%0.49150%0.504SS..Hα-helixtrans-61.1-48.2174.1-178.4178-26.400111.2Q516 A522 Q523 E524Q516-Q520 WeakPolarHBondContact O-CB 3.33Å; Q516-Q520 PolarHBondContact O-N 3.36Å; Q520-A522 VanDerWaalsContact C-N 3.27Å; Q520-A522 PolarHBondContact O-N 3.4Å; Q520-Q523 CarbonylContact O-C 3.6Å; Q520-Q523 WeakPolarHBondContact O-CA 3.29Å; Q520-Q523 WeakPolarHBondContact O-CB 3.35Å; Q520-Q523 PolarHBondContact O-N 3.43Å; Q520-E524 HydrophobicContact CG-CG 4.41Å; Q520-E524 WeakPolarHBondContact CG-OE1 3.15Å; Q520-E524 PolarHBondContact NE2-OE1 3.33Å; Q520-E524 WeakPolarHBondContact O-CG 3.46Å; Q520-E524 PolarHBondContact O-N 3.04Å
521A95.4Very high95.5Very high40 Ų4099.5 Ų99.533%0.33151%0.507SS..Hα-helixtrans-61.9-32.7177.600000113.1E517 K518 Q525E517-A521 WeakPolarHBondContact O-CB 3.41Å; E517-A521 PolarHBondContact O-N 2.91Å; K518-A521 PolarHBondContact O-N 3.31Å; A521-Q525 WeakPolarHBondContact O-CG 3.17Å; A521-Q525 PolarHBondContact O-N 2.65Å; A521-Q525 VanDerWaalsContact O-N 3.16Å; A521-Q525 PolarHBondContact O-NE2 3.22Å
522A94.6Very high95.4Very high56 Ų5697.7 Ų97.746%0.46351%0.507SS..Hα-helixtrans-72.3-36.3172.500000112.3K518 V519 Q520 Q525 L526K518-A522 WeakPolarHBondContact O-CB 3.33Å; K518-A522 PolarHBondContact O-N 3.26Å; V519-A522 PolarHBondContact O-N 2.93Å; Q520-A522 VanDerWaalsContact C-N 3.27Å; Q520-A522 PolarHBondContact O-N 3.4Å; A522-Q525 PolarHBondContact O-N 2.62Å; A522-L526 PolarHBondContact O-N 3.38Å
523Q95Very high95.4Very high125 Ų12599 Ų9958%0.58451%0.511SS*.Hα-helixtrans-68.3-40.1174.7-173.4173.1-6.400111.7V519 Q520 Q525 L526 T527V519-Q523 WeakPolarHBondContact O-CB 3.19Å; V519-Q523 PolarHBondContact O-N 2.71Å; Q520-Q523 CarbonylContact O-C 3.6Å; Q520-Q523 WeakPolarHBondContact O-CA 3.29Å; Q520-Q523 WeakPolarHBondContact O-CB 3.35Å; Q520-Q523 PolarHBondContact O-N 3.43Å; Q523-Q525 VanDerWaalsContact C-N 3.29Å; Q523-Q525 PolarHBondContact O-N 3.49Å; Q523-L526 WeakPolarHBondContact O-CB 3.36Å; Q523-L526 PolarHBondContact O-N 2.75Å; Q523-T527 PolarHBondContact O-N 3.39Å
524E93.9Very high95.4Very high112 Ų11299.4 Ų99.452%0.52351%0.513SS..Hα-helixtrans-63.8-31172.1-72.6173.5-167.800112.6Q520 T527 P528Q520-E524 HydrophobicContact CG-CG 4.41Å; Q520-E524 WeakPolarHBondContact CG-OE1 3.15Å; Q520-E524 PolarHBondContact NE2-OE1 3.33Å; Q520-E524 WeakPolarHBondContact O-CG 3.46Å; Q520-E524 PolarHBondContact O-N 3.04Å; E524-T527 PolarHBondContact O-OG1 2.8Å; E524-T527 VanDerWaalsContact O-OG1 3.12Å; E524-P528 WeakPolarHBondContact O-CD 3.07Å
525Q95Very high95.3Very high139 Ų13998.6 Ų98.665%0.6551%0.514SS*.Hα-helixtrans-75.2-25.4170.1-73.2172.943.800112.9A521 A522 Q523A521-Q525 WeakPolarHBondContact O-CG 3.17Å; A521-Q525 PolarHBondContact O-N 2.65Å; A521-Q525 VanDerWaalsContact O-N 3.16Å; A521-Q525 PolarHBondContact O-NE2 3.22Å; A522-Q525 PolarHBondContact O-N 2.62Å; Q523-Q525 VanDerWaalsContact C-N 3.29Å; Q523-Q525 PolarHBondContact O-N 3.49Å
526L94.5Very high95.2Very high102 Ų10297.7 Ų97.753%0.53451%0.514SS..Hα-helixtrans-80-32.3179.2-173.562000112.9A522 Q523 L529 Q530A522-L526 PolarHBondContact O-N 3.38Å; Q523-L526 WeakPolarHBondContact O-CB 3.36Å; Q523-L526 PolarHBondContact O-N 2.75Å; L526-L529 WeakPolarHBondContact O-CB 3.48Å; L526-L529 PolarHBondContact O-N 3.22Å; L526-Q530 PolarHBondContact O-N 2.9Å
527T93.8Very high95.2Very high73 Ų7398.1 Ų98.145%0.44851%0.514SS..Hα-helixtrans-58.7-46.6-179.451.60000114.7Q523 E524 L529 Q530 E531Q523-T527 PolarHBondContact O-N 3.39Å; E524-T527 PolarHBondContact O-OG1 2.8Å; E524-T527 VanDerWaalsContact O-OG1 3.12Å; T527-L529 VanDerWaalsContact C-N 3.28Å; T527-L529 PolarHBondContact O-N 2.95Å; T527-Q530 PolarHBondContact O-N 3.26Å; T527-E531 WeakPolarHBondContact O-CB 3.12Å; T527-E531 PolarHBondContact O-N 3.04Å
528P94.1Very high95.2Very high71 Ų7196.5 Ų96.546%0.46151%0.511SS..Hα-helixtrans-69.4-25.5176.528.9-36.8000112.7E524 S532E524-P528 WeakPolarHBondContact O-CD 3.07Å; P528-S532 VanDerWaalsContact O-CB 3.23Å; P528-S532 WeakPolarHBondContact O-CB 3.44Å; P528-S532 PolarHBondContact O-N 3.5Å
529L94.4Very high95.1Very high110 Ų11096.5 Ų96.558%0.57651%0.513SS*.Hα-helixtrans-71.7-42.8172.9-65.6174.6000111L526 T527 E531 S532 V533L526-L529 WeakPolarHBondContact O-CB 3.48Å; L526-L529 PolarHBondContact O-N 3.22Å; T527-L529 VanDerWaalsContact C-N 3.28Å; T527-L529 PolarHBondContact O-N 2.95Å; L529-E531 VanDerWaalsContact C-N 3.32Å; L529-E531 PolarHBondContact O-N 3.48Å; L529-S532 PolarHBondContact O-N 2.83Å; L529-V533 WeakPolarHBondContact O-CB 3.41Å; L529-V533 VanDerWaalsContact O-CG2 3.29Å; L529-V533 WeakPolarHBondContact O-CG2 3.13Å; L529-V533 PolarHBondContact O-N 3.3Å
530Q93.6Very high95.1Very high119 Ų11995 Ų9556%0.55650%0.504SS*.Hα-helixtrans-63.3-38.4174.3-171.8-175.93.200111.6L526 T527 R534L526-Q530 PolarHBondContact O-N 2.9Å; T527-Q530 PolarHBondContact O-N 3.26Å; Q530-R534 WeakPolarHBondContact O-CB 3.35Å; Q530-R534 PolarHBondContact O-N 2.68Å
531E94.7Very high95Very high101 Ų10192.1 Ų92.147%0.47250%0.496SS..Hα-helixtrans-66.2-48.7174-176.7143.5-96.100112.2T527 L529 V533 R534 D535T527-E531 WeakPolarHBondContact O-CB 3.12Å; T527-E531 PolarHBondContact O-N 3.04Å; L529-E531 VanDerWaalsContact C-N 3.32Å; L529-E531 PolarHBondContact O-N 3.48Å; E531-V533 VanDerWaalsContact C-N 3.28Å; E531-V533 PolarHBondContact O-N 3.5Å; E531-R534 CarbonylContact O-C 3.57Å; E531-R534 WeakPolarHBondContact O-CA 3.5Å; E531-R534 VanDerWaalsContact O-CB 3.31Å; E531-R534 WeakPolarHBondContact O-CB 3.47Å; E531-R534 PolarHBondContact O-N 3.16Å; E531-R534 IonicContact OE1-NH1 2.9Å; E531-R534 PolarHBondContact OE1-NH1 3.21Å; E531-D535 PolarHBondContact O-N 3.12Å
532S95.8Very high95.1Very high75 Ų7596.5 Ų96.552%0.52451%0.509SS..Hα-helixtrans-57.5-38.8174.4-178.80000112.8P528 L529 S536P528-S532 VanDerWaalsContact O-CB 3.23Å; P528-S532 WeakPolarHBondContact O-CB 3.44Å; P528-S532 PolarHBondContact O-N 3.5Å; L529-S532 PolarHBondContact O-N 2.83Å; S532-S536 VanDerWaalsContact O-CB 3.23Å; S532-S536 WeakPolarHBondContact O-CB 3.34Å; S532-S536 PolarHBondContact O-N 3.23Å
533V95.5Very high95.1Very high102 Ų10298.5 Ų98.562%0.61851%0.511SS*.Hα-helixtrans-66.6-39.9172.9168.20000111.8L529 E531 F537L529-V533 WeakPolarHBondContact O-CB 3.41Å; L529-V533 VanDerWaalsContact O-CG2 3.29Å; L529-V533 WeakPolarHBondContact O-CG2 3.13Å; L529-V533 PolarHBondContact O-N 3.3Å; E531-V533 VanDerWaalsContact C-N 3.28Å; E531-V533 PolarHBondContact O-N 3.5Å; V533-F537 WeakPolarHBondContact O-CB 2.98Å; V533-F537 PolarHBondContact O-N 2.55Å
534R95.7Very high95.1Very high116 Ų11698.6 Ų98.644%0.43851%0.512SS..Hα-helixtrans-63.4-47.9175.3-167.3-165.9-53.3118.9-1.2111.1Q530 E531 F537 T538Q530-R534 WeakPolarHBondContact O-CB 3.35Å; Q530-R534 PolarHBondContact O-N 2.68Å; E531-R534 CarbonylContact O-C 3.57Å; E531-R534 WeakPolarHBondContact O-CA 3.5Å; E531-R534 VanDerWaalsContact O-CB 3.31Å; E531-R534 WeakPolarHBondContact O-CB 3.47Å; E531-R534 PolarHBondContact O-N 3.16Å; E531-R534 IonicContact OE1-NH1 2.9Å; E531-R534 PolarHBondContact OE1-NH1 3.21Å; R534-F537 WeakPolarHBondContact O-CB 3.43Å; R534-F537 PolarHBondContact O-N 2.85Å; R534-F537 VanDerWaalsContact O-N 3.14Å; R534-T538 WeakPolarHBondContact O-CG2 3.38Å; R534-T538 PolarHBondContact O-N 3.21Å
535D95.6Very high95.2Very high94 Ų9498.4 Ų98.450%0.50351%0.511SS..Hα-helixtrans-61.2-47178.3-76.3-0.4000110.9E531 F537 T538 Q539E531-D535 PolarHBondContact O-N 3.12Å; D535-F537 VanDerWaalsContact C-N 3.31Å; D535-F537 PolarHBondContact O-N 3.48Å; D535-T538 PolarHBondContact O-N 2.94Å; D535-T538 VanDerWaalsContact O-N 3.14Å; D535-T538 PolarHBondContact O-OG1 3.33Å; D535-Q539 WeakPolarHBondContact O-CB 3.31Å; D535-Q539 PolarHBondContact O-N 3.35Å
536S95.3Very high95.2Very high63 Ų6398.6 Ų98.644%0.44151%0.509SS..Hα-helixtrans-56.1-43.2172.6-174.70000112S532 Q539 V540S532-S536 VanDerWaalsContact O-CB 3.23Å; S532-S536 WeakPolarHBondContact O-CB 3.34Å; S532-S536 PolarHBondContact O-N 3.23Å; S536-Q539 PolarHBondContact O-N 3.19Å; S536-V540 WeakPolarHBondContact O-CB 3.24Å; S536-V540 WeakPolarHBondContact O-CG2 3.39Å; S536-V540 PolarHBondContact O-N 3.19Å
537F96.5Very high95.2Very high142 Ų14296.7 Ų96.762%0.62350%0.502SS*.Hα-helixtrans-64.4-40.9175.1-177-91.1000112.9V533 R534 D535 Q539 V540 S541V533-F537 WeakPolarHBondContact O-CB 2.98Å; V533-F537 PolarHBondContact O-N 2.55Å; R534-F537 WeakPolarHBondContact O-CB 3.43Å; R534-F537 PolarHBondContact O-N 2.85Å; R534-F537 VanDerWaalsContact O-N 3.14Å; D535-F537 VanDerWaalsContact C-N 3.31Å; D535-F537 PolarHBondContact O-N 3.48Å; F537-Q539 VanDerWaalsContact C-N 3.35Å; F537-V540 PolarHBondContact O-N 3.36Å; F537-S541 WeakPolarHBondContact O-CB 3Å; F537-S541 PolarHBondContact O-N 2.8Å; F537-S541 PolarHBondContact O-OG 3.36Å
538T95.5Very high95.2Very high65 Ų6597.2 Ų97.240%0.39950%0.499SS..Hα-helixtrans-66-37.7174.270.10000111.8R534 D535 S541 Q542R534-T538 WeakPolarHBondContact O-CG2 3.38Å; R534-T538 PolarHBondContact O-N 3.21Å; D535-T538 PolarHBondContact O-N 2.94Å; D535-T538 VanDerWaalsContact O-N 3.14Å; D535-T538 PolarHBondContact O-OG1 3.33Å; T538-S541 WeakPolarHBondContact O-CB 3.32Å; T538-S541 PolarHBondContact O-N 2.65Å; T538-Q542 VanDerWaalsContact O-CG 3.32Å; T538-Q542 WeakPolarHBondContact O-CG 3.49Å; T538-Q542 PolarHBondContact O-N 2.83Å
539Q96.1Very high95.2Very high122 Ų12297.8 Ų97.857%0.5750%0.498SS*.Hα-helixtrans-67.2-42.6177-173.1174.881.600111.5D535 S536 F537 S541 Q542 I543D535-Q539 WeakPolarHBondContact O-CB 3.31Å; D535-Q539 PolarHBondContact O-N 3.35Å; S536-Q539 PolarHBondContact O-N 3.19Å; F537-Q539 VanDerWaalsContact C-N 3.35Å; Q539-S541 VanDerWaalsContact C-N 3.3Å; Q539-S541 PolarHBondContact O-N 2.64Å; Q539-Q542 PolarHBondContact O-N 3.33Å; Q539-I543 HydrophobicContact CG-CD1 4.16Å; Q539-I543 WeakPolarHBondContact O-CB 3.28Å; Q539-I543 VanDerWaalsContact O-CG1 3.26Å; Q539-I543 WeakPolarHBondContact O-CG1 3.29Å; Q539-I543 PolarHBondContact O-N 2.89Å
540V95.4Very high95.2Very high63 Ų6397.7 Ų97.738%0.38250%0.498SS..Hα-helixtrans-58.9-42.8170.1167.60000110.7S536 F537 I543 Q544S536-V540 WeakPolarHBondContact O-CB 3.24Å; S536-V540 WeakPolarHBondContact O-CG2 3.39Å; S536-V540 PolarHBondContact O-N 3.19Å; F537-V540 PolarHBondContact O-N 3.36Å; V540-I543 PolarHBondContact O-N 3.36Å; V540-Q544 HydrophobicContact CG1-CG 4.42Å; V540-Q544 WeakPolarHBondContact O-CG 3.49Å; V540-Q544 PolarHBondContact O-N 2.84Å
541S95.1Very high95.2Very high45 Ų4598.1 Ų98.132%0.31550%0.495SS..Hα-helixtrans-64.1-42.5178-57.50000112.3F537 T538 Q539 Q544 Q545F537-S541 WeakPolarHBondContact O-CB 3Å; F537-S541 PolarHBondContact O-N 2.8Å; F537-S541 PolarHBondContact O-OG 3.36Å; T538-S541 WeakPolarHBondContact O-CB 3.32Å; T538-S541 PolarHBondContact O-N 2.65Å; Q539-S541 VanDerWaalsContact C-N 3.3Å; Q539-S541 PolarHBondContact O-N 2.64Å; S541-Q544 PolarHBondContact O-N 2.82Å; S541-Q545 PolarHBondContact O-N 2.86Å
542Q96.2Very high95.1Very high131 Ų13197.1 Ų97.161%0.61250%0.495SS*.Hα-helixtrans-62.8-40.3173.6-71170.826.800112T538 Q539 K546T538-Q542 VanDerWaalsContact O-CG 3.32Å; T538-Q542 WeakPolarHBondContact O-CG 3.49Å; T538-Q542 PolarHBondContact O-N 2.83Å; Q539-Q542 PolarHBondContact O-N 3.33Å; Q542-K546 WeakPolarHBondContact O-CB 3.06Å; Q542-K546 PolarHBondContact O-N 3.06Å
543I95.3Very high94.9Very high98 Ų9898.4 Ų98.450%0.50349%0.493SS..Hα-helixtrans-66-42.5175.5-69.7164.7000110.6Q539 V540 K546 V547Q539-I543 HydrophobicContact CG-CD1 4.16Å; Q539-I543 WeakPolarHBondContact O-CB 3.28Å; Q539-I543 VanDerWaalsContact O-CG1 3.26Å; Q539-I543 WeakPolarHBondContact O-CG1 3.29Å; Q539-I543 PolarHBondContact O-N 2.89Å; V540-I543 PolarHBondContact O-N 3.36Å; I543-K546 PolarHBondContact O-N 3.41Å; I543-V547 HydrophobicContact CG2-CG2 4.47Å; I543-V547 WeakPolarHBondContact O-CB 3.35Å; I543-V547 VanDerWaalsContact O-CG2 3.3Å; I543-V547 WeakPolarHBondContact O-CG2 3.31Å; I543-V547 PolarHBondContact O-N 2.9Å
544Q94.9Very high94.6Very high128 Ų12899.5 Ų99.560%0.59849%0.491SS*.Hα-helixtrans-62-45.5175.6-74.8-178.820.300112V540 S541 V547 Q548V540-Q544 HydrophobicContact CG1-CG 4.42Å; V540-Q544 WeakPolarHBondContact O-CG 3.49Å; V540-Q544 PolarHBondContact O-N 2.84Å; S541-Q544 PolarHBondContact O-N 2.82Å; Q544-V547 PolarHBondContact O-N 3.5Å; Q544-Q548 PolarHBondContact O-N 3.5Å
545Q95.9Very high94.4Very high108 Ų108100.8 Ų100.851%0.50550%0.496SS..Hα-helixtrans-59.1-49.2174.7-17759.845.300110.7S541 V547 Q548 D549S541-Q545 PolarHBondContact O-N 2.86Å; Q545-V547 VanDerWaalsContact C-N 3.29Å; Q545-V547 PolarHBondContact O-N 3.19Å; Q545-Q548 CarbonylContact O-C 3.6Å; Q545-Q548 WeakPolarHBondContact O-CA 3.38Å; Q545-Q548 WeakPolarHBondContact O-CB 3.38Å; Q545-Q548 PolarHBondContact O-N 2.96Å; Q545-D549 PolarHBondContact NE2-OD1 2.6Å; Q545-D549 VanDerWaalsContact O-CG 3.22Å; Q545-D549 PolarHBondContact O-N 3.07Å
546K95.3Very high94.1Very high142 Ų14298.1 Ų98.162%0.61749%0.485SS*.Hα-helixtrans-61.5-34.6178.6-171.2172.4-176.1174.40113Q542 I543 L550Q542-K546 WeakPolarHBondContact O-CB 3.06Å; Q542-K546 PolarHBondContact O-N 3.06Å; I543-K546 PolarHBondContact O-N 3.41Å; K546-L550 HydrophobicContact CG-CD1 4.39Å; K546-L550 WeakPolarHBondContact O-CB 3.32Å; K546-L550 WeakPolarHBondContact O-CD1 3.08Å; K546-L550 WeakPolarHBondContact O-CG 3.37Å; K546-L550 PolarHBondContact O-N 3.41Å
547V94.6Very high93.8Very high63 Ų6398.3 Ų98.338%0.38248%0.483SS..Hα-helixtrans-68.9-36.5172166.40000111.4I543 Q544 Q545 R551I543-V547 HydrophobicContact CG2-CG2 4.47Å; I543-V547 WeakPolarHBondContact O-CB 3.35Å; I543-V547 VanDerWaalsContact O-CG2 3.3Å; I543-V547 WeakPolarHBondContact O-CG2 3.31Å; I543-V547 PolarHBondContact O-N 2.9Å; Q544-V547 PolarHBondContact O-N 3.5Å; Q545-V547 VanDerWaalsContact C-N 3.29Å; Q545-V547 PolarHBondContact O-N 3.19Å; V547-R551 WeakPolarHBondContact O-CB 3.46Å; V547-R551 VanDerWaalsContact O-CG 3.26Å; V547-R551 WeakPolarHBondContact O-CG 3.17Å; V547-R551 PolarHBondContact O-N 3.12Å
548Q94.3Very high93.4Very high83 Ų8395.4 Ų95.439%0.38848%0.477SS..Hα-helixtrans-70.3-40.2175-176.768.2-13.100111.8Q544 Q545 R551 V552Q544-Q548 PolarHBondContact O-N 3.5Å; Q545-Q548 CarbonylContact O-C 3.6Å; Q545-Q548 WeakPolarHBondContact O-CA 3.38Å; Q545-Q548 WeakPolarHBondContact O-CB 3.38Å; Q545-Q548 PolarHBondContact O-N 2.96Å; Q548-R551 CarbonylContact O-C 3.58Å; Q548-R551 WeakPolarHBondContact O-CB 3.31Å; Q548-R551 PolarHBondContact O-N 3.33Å; Q548-V552 WeakPolarHBondContact O-CG2 3.3Å; Q548-V552 PolarHBondContact O-N 3Å
549D94Very high93Very high83 Ų8394.2 Ų94.244%0.44447%0.474SS..Hα-helixtrans-60.9-47.4173.1-60.1-30.2000110.5Q545 R551 V552 E553Q545-D549 PolarHBondContact NE2-OD1 2.6Å; Q545-D549 VanDerWaalsContact O-CG 3.22Å; Q545-D549 PolarHBondContact O-N 3.07Å; D549-R551 VanDerWaalsContact C-N 3.28Å; D549-R551 PolarHBondContact O-N 2.93Å; D549-V552 CarbonylContact O-C 3.54Å; D549-V552 PolarHBondContact O-N 2.87Å; D549-E553 PolarHBondContact O-N 2.96Å
550L93.3Very high92.4Very high109 Ų10993.6 Ų93.657%0.57147%0.471SS*.Hα-helixtrans-62-33.1174.6-74.6169000112.6K546 E554K546-L550 HydrophobicContact CG-CD1 4.39Å; K546-L550 WeakPolarHBondContact O-CB 3.32Å; K546-L550 WeakPolarHBondContact O-CD1 3.08Å; K546-L550 WeakPolarHBondContact O-CG 3.37Å; K546-L550 PolarHBondContact O-N 3.41Å; L550-E554 VanDerWaalsContact O-CB 3.27Å; L550-E554 WeakPolarHBondContact O-CB 3.44Å; L550-E554 PolarHBondContact O-N 3.12Å
551R93.9Very high91.8Very high128 Ų12895.4 Ų95.448%0.48348%0.478SS..Hα-helixtrans-73-30.4171.6-78.4169.1169.2177.4-1.7113.1V547 Q548 D549 R555V547-R551 WeakPolarHBondContact O-CB 3.46Å; V547-R551 VanDerWaalsContact O-CG 3.26Å; V547-R551 WeakPolarHBondContact O-CG 3.17Å; V547-R551 PolarHBondContact O-N 3.12Å; Q548-R551 CarbonylContact O-C 3.58Å; Q548-R551 WeakPolarHBondContact O-CB 3.31Å; Q548-R551 PolarHBondContact O-N 3.33Å; D549-R551 VanDerWaalsContact C-N 3.28Å; D549-R551 PolarHBondContact O-N 2.93Å; R551-R555 WeakPolarHBondContact O-CB 3.17Å; R551-R555 WeakPolarHBondContact O-CG 3.21Å; R551-R555 PolarHBondContact O-N 2.8Å
552V93.1Very high91Very high80 Ų8096.3 Ų96.349%0.48548%0.484SS..Hα-helixtrans-71-39.7171.9170.60000109.8Q548 D549 R555 S556Q548-V552 WeakPolarHBondContact O-CG2 3.3Å; Q548-V552 PolarHBondContact O-N 3Å; D549-V552 CarbonylContact O-C 3.54Å; D549-V552 PolarHBondContact O-N 2.87Å; V552-R555 PolarHBondContact O-N 3.13Å; V552-S556 WeakPolarHBondContact O-CB 3.26Å; V552-S556 PolarHBondContact O-N 2.94Å
553E90.6Very high90Very high102 Ų10298.8 Ų98.848%0.47749%0.488SS..Hα-helixtrans-69-39.9173.1-164.259.9-106.100112D549 R555 S556 V557D549-E553 PolarHBondContact O-N 2.96Å; E553-R555 VanDerWaalsContact C-N 3.32Å; E553-R555 PolarHBondContact O-N 3.39Å; E553-S556 WeakPolarHBondContact O-CB 3.43Å; E553-S556 PolarHBondContact O-N 3.15Å; E553-S556 VanDerWaalsContact O-N 3.14Å; E553-S556 VanDerWaalsContact OE1-CB 3.27Å; E553-S556 WeakPolarHBondContact OE1-CB 3.29Å; E553-S556 PolarHBondContact OE1-OG 3.41Å; E553-V557 HydrophobicContact CG-CG2 4.35Å; E553-V557 WeakPolarHBondContact O-CB 3.37Å; E553-V557 WeakPolarHBondContact O-CG2 3.36Å; E553-V557 PolarHBondContact O-N 2.93Å
554E90.8Very high89Confident125 Ų125100.6 Ų100.658%0.58449%0.492SS*.Hα-helixtrans-57.3-44.7171.4-178.5-176.4-154.600111.1L550 T558L550-E554 VanDerWaalsContact O-CB 3.27Å; L550-E554 WeakPolarHBondContact O-CB 3.44Å; L550-E554 PolarHBondContact O-N 3.12Å; E554-T558 WeakPolarHBondContact O-CB 3.46Å; E554-T558 PolarHBondContact O-N 2.86Å; E554-T558 PolarHBondContact O-OG1 2.91Å
555R91.1Very high87.9Confident142 Ų142102.3 Ų102.354%0.53649%0.493SS..Hα-helixtrans-66.2-38.7173.5-72.7176.6-162.2115.7-6112.5R551 V552 E553 A559R551-R555 WeakPolarHBondContact O-CB 3.17Å; R551-R555 WeakPolarHBondContact O-CG 3.21Å; R551-R555 PolarHBondContact O-N 2.8Å; V552-R555 PolarHBondContact O-N 3.13Å; E553-R555 VanDerWaalsContact C-N 3.32Å; E553-R555 PolarHBondContact O-N 3.39Å; R555-A559 WeakPolarHBondContact O-CB 3.25Å; R555-A559 PolarHBondContact O-N 3.49Å
556S89.8Confident86.2Confident39 Ų3999.9 Ų99.927%0.27349%0.492SS..Hα-helixtrans-60.9-53.2175.1158.70000110.9V552 E553 A559 Q560V552-S556 WeakPolarHBondContact O-CB 3.26Å; V552-S556 PolarHBondContact O-N 2.94Å; E553-S556 WeakPolarHBondContact O-CB 3.43Å; E553-S556 PolarHBondContact O-N 3.15Å; E553-S556 VanDerWaalsContact O-N 3.14Å; E553-S556 VanDerWaalsContact OE1-CB 3.27Å; E553-S556 WeakPolarHBondContact OE1-CB 3.29Å; E553-S556 PolarHBondContact OE1-OG 3.41Å; S556-A559 PolarHBondContact O-N 3.39Å; S556-Q560 VanDerWaalsContact O-CG 3.31Å; S556-Q560 WeakPolarHBondContact O-CG 3.32Å; S556-Q560 PolarHBondContact O-N 2.86Å; S556-Q560 PolarHBondContact OG-NE2 2.9Å
557V89.2Confident84.4Confident66 Ų6699.6 Ų99.640%0.450%0.496SS..Hα-helixtrans-62.7-43.6176.7173.20000110.9E553 A559 Q560 L561E553-V557 HydrophobicContact CG-CG2 4.35Å; E553-V557 WeakPolarHBondContact O-CB 3.37Å; E553-V557 WeakPolarHBondContact O-CG2 3.36Å; E553-V557 PolarHBondContact O-N 2.93Å; V557-A559 VanDerWaalsContact C-N 3.34Å; V557-A559 PolarHBondContact O-N 2.99Å; V557-Q560 PolarHBondContact O-N 3.19Å; V557-L561 HydrophobicContact CG1-CD1 3.99Å; V557-L561 HydrophobicContact CG1-CG 4.46Å; V557-L561 WeakPolarHBondContact O-CB 3.3Å; V557-L561 VanDerWaalsContact O-CG 3.25Å; V557-L561 WeakPolarHBondContact O-CG 3.49Å; V557-L561 PolarHBondContact O-N 3.43Å
558T87.9Confident82.5Confident82 Ų82104.1 Ų104.150%0.50351%0.513SS..Hα-helixtrans-63.3-40.1176.4-60.20000111.5E554 L561 S562E554-T558 WeakPolarHBondContact O-CB 3.46Å; E554-T558 PolarHBondContact O-N 2.86Å; E554-T558 PolarHBondContact O-OG1 2.91Å; T558-L561 PolarHBondContact O-N 2.92Å; T558-S562 PolarHBondContact O-N 3.04Å; T558-S562 PolarHBondContact O-OG 3.47Å
559A85.9Confident80.3Confident39 Ų39105.9 Ų105.932%0.32253%0.525SS..Hα-helixtrans-66.6-42.3173.900000111.5R555 S556 V557 L561 S562 W563R555-A559 WeakPolarHBondContact O-CB 3.25Å; R555-A559 PolarHBondContact O-N 3.49Å; S556-A559 PolarHBondContact O-N 3.39Å; V557-A559 VanDerWaalsContact C-N 3.34Å; V557-A559 PolarHBondContact O-N 2.99Å; A559-L561 VanDerWaalsContact C-N 3.29Å; A559-L561 PolarHBondContact O-N 3.07Å; A559-S562 WeakPolarHBondContact CA-OG 3.27Å; A559-S562 PolarHBondContact O-N 2.85Å; A559-S562 PolarHBondContact O-OG 3.48Å; A559-W563 WeakPolarHBondContact O-CB 3.22Å; A559-W563 PolarHBondContact O-N 3.05Å
560Q84.1Confident77.6Confident110 Ų110106.9 Ų106.951%0.51454%0.539SS..Hα-helixtrans-62.1-36.9174.1-72.4176.946.200111.8S556 V557 K564S556-Q560 VanDerWaalsContact O-CG 3.31Å; S556-Q560 WeakPolarHBondContact O-CG 3.32Å; S556-Q560 PolarHBondContact O-N 2.86Å; S556-Q560 PolarHBondContact OG-NE2 2.9Å; V557-Q560 PolarHBondContact O-N 3.19Å; Q560-K564 WeakPolarHBondContact O-CB 3.48Å; Q560-K564 WeakPolarHBondContact O-CG 3.34Å; Q560-K564 PolarHBondContact O-N 3.17Å
561L83.3Confident74.9Confident101 Ų101106.9 Ų106.953%0.52955%0.548SS..Hα-helixtrans-70.3-37.6174-70.1169.8000112.1V557 T558 A559 R565V557-L561 HydrophobicContact CG1-CD1 3.99Å; V557-L561 HydrophobicContact CG1-CG 4.46Å; V557-L561 WeakPolarHBondContact O-CB 3.3Å; V557-L561 VanDerWaalsContact O-CG 3.25Å; V557-L561 WeakPolarHBondContact O-CG 3.49Å; V557-L561 PolarHBondContact O-N 3.43Å; T558-L561 PolarHBondContact O-N 2.92Å; A559-L561 VanDerWaalsContact C-N 3.29Å; A559-L561 PolarHBondContact O-N 3.07Å; L561-R565 WeakPolarHBondContact O-CB 3.45Å; L561-R565 PolarHBondContact O-N 3.48Å
562S77.3Confident72.9Confident63 Ų63106.1 Ų106.144%0.44156%0.56SS.*Hα-helixtrans-72.3-35.7174.168.50000112.5T558 A559 R565 A566T558-S562 PolarHBondContact O-N 3.04Å; T558-S562 PolarHBondContact O-OG 3.47Å; A559-S562 WeakPolarHBondContact CA-OG 3.27Å; A559-S562 PolarHBondContact O-N 2.85Å; A559-S562 PolarHBondContact O-OG 3.48Å; S562-R565 PolarHBondContact O-N 3.06Å; S562-A566 VanDerWaalsContact O-CB 3.3Å; S562-A566 WeakPolarHBondContact O-CB 3.35Å; S562-A566 PolarHBondContact O-N 3.1Å
563W74.9Confident70.1Confident183 Ų183108.2 Ų108.269%0.69357%0.572SS**Hα-helixtrans-65.8-39.4171.9-85.8109.6000111.6A559 A566 L567A559-W563 WeakPolarHBondContact O-CB 3.22Å; A559-W563 PolarHBondContact O-N 3.05Å; W563-A566 PolarHBondContact O-N 3.12Å; W563-L567 WeakPolarHBondContact O-CB 3.25Å; W563-L567 PolarHBondContact O-N 3.14Å
564K74.1Confident67.6Low136 Ų136110.6 Ų110.659%0.59159%0.585SS**Hα-helixtrans-62.5-47.5170.9-81.1-179.5176.5-179.90111.7Q560 A566 L567 E568Q560-K564 WeakPolarHBondContact O-CB 3.48Å; Q560-K564 WeakPolarHBondContact O-CG 3.34Å; Q560-K564 PolarHBondContact O-N 3.17Å; K564-A566 VanDerWaalsContact C-N 3.31Å; K564-A566 PolarHBondContact O-N 3.47Å; K564-L567 WeakPolarHBondContact O-CA 3.36Å; K564-L567 WeakPolarHBondContact O-CB 3.33Å; K564-L567 PolarHBondContact O-N 3.12Å; K564-E568 WeakPolarHBondContact O-CG 3.46Å; K564-E568 PolarHBondContact O-N 3.48Å
565R72.1Confident65Low164 Ų164110.5 Ų110.562%0.61959%0.593SS**Hα-helixtrans-59.5-40.3174.8-176.8169.2-71.5137.20.3112.2L561 S562 L567 E568 D569L561-R565 WeakPolarHBondContact O-CB 3.45Å; L561-R565 PolarHBondContact O-N 3.48Å; S562-R565 PolarHBondContact O-N 3.06Å; R565-L567 VanDerWaalsContact C-N 3.31Å; R565-L567 PolarHBondContact O-N 3.37Å; R565-E568 PolarHBondContact O-N 3.35Å; R565-D569 WeakPolarHBondContact O-CB 3.4Å; R565-D569 PolarHBondContact O-N 2.93Å
566A61.1Low62.6Low58 Ų58111 Ų11148%0.47961%0.606SS.*Hα-helixtrans-70.6-23.1174.800000113.8S562 W563 K564S562-A566 VanDerWaalsContact O-CB 3.3Å; S562-A566 WeakPolarHBondContact O-CB 3.35Å; S562-A566 PolarHBondContact O-N 3.1Å; W563-A566 PolarHBondContact O-N 3.12Å; K564-A566 VanDerWaalsContact C-N 3.31Å; K564-A566 PolarHBondContact O-N 3.47Å
567L56.9Low59.8Low135 Ų135112.2 Ų112.271%0.70762%0.624SS**Hα-helixtrans-75.4-33.3168.3-117.669.5000111.9W563 K564 R565W563-L567 WeakPolarHBondContact O-CB 3.25Å; W563-L567 PolarHBondContact O-N 3.14Å; K564-L567 WeakPolarHBondContact O-CA 3.36Å; K564-L567 WeakPolarHBondContact O-CB 3.33Å; K564-L567 PolarHBondContact O-N 3.12Å; R565-L567 VanDerWaalsContact C-N 3.31Å; R565-L567 PolarHBondContact O-N 3.37Å
568E54.9Low57.2Low158 Ų158114.8 Ų114.874%0.73865%0.646SS**Hα-helixtrans-76-38176.4-69.7172.6150.400112K564 R565 S570K564-E568 WeakPolarHBondContact O-CG 3.46Å; K564-E568 PolarHBondContact O-N 3.48Å; R565-E568 PolarHBondContact O-N 3.35Å; E568-S570 VanDerWaalsContact C-N 3.3Å; E568-S570 PolarHBondContact O-N 3.12Å
569D47.5Very low54.8Low121 Ų121115.6 Ų115.665%0.64766%0.661SS**THydrogen-bonded Turntrans-8726.8179.1-77.2-40.4000114.3R565 S571R565-D569 WeakPolarHBondContact O-CB 3.4Å; R565-D569 PolarHBondContact O-N 2.93Å; D569-S571 PolarHBondContact O-N 2.96Å
570S36.7Very low52.2Low104 Ų104117.3 Ų117.373%0.72768%0.682SS**  trans-81.654.2-179.2-159.70000113.7E568E568-S570 VanDerWaalsContact C-N 3.3Å; E568-S570 PolarHBondContact O-N 3.12Å
571S37.1Very low49.9Very low108 Ų108117.1 Ų117.176%0.75569%0.693SS**SBendtrans-159.8141.2167-170.10000110.8D569D569-S571 PolarHBondContact O-N 2.96Å
572P53.3Low47.4Very low113 Ų113118.7 Ų118.773%0.73471%0.707SS**  trans-110-164.9-151.740-31.5000115.5
573V33.5Very low45.3Very low123 Ų123120.2 Ų120.275%0.74572%0.723SS**  trans98.1133.8167.9-178.20000115.8
574M37.8Very low43.3Very low153 Ų153120.4 Ų120.475%0.75473%0.732SS**  cis-172.5150.3-24.6-99-152.3-6400109.3
575V36.5Very low41.3Very low122 Ų122121.3 Ų121.374%0.73974%0.742SS**  trans56.9133136.7175.80000118.9
576N41Very low39.3Very low154 Ų154119.6 Ų119.682%0.82475%0.746SS**  cis-159.9170.129.4-148.1-10.6000114.9
577G31.5Very low38Very low63 Ų63123.5 Ų123.565%0.64976%0.758SS**  trans104.5107.4162.600000115.2
578S34.8Very low36.8Very low121 Ų121126.4 Ų126.485%0.84677%0.765SS**  cis75.712721.3-155.20000114.2
579A35.6Very low35.6Very low99 Ų99123.5 Ų123.582%0.81876%0.762SS**  cis-151.1179-4.100000108.7
580G31.8Very low34.7Very low75 Ų75125.1 Ų125.177%0.77377%0.771SS**  cis-166.9-152.75.200000108.7
581S35.9Very low34.2Very low106 Ų106127.8 Ų127.874%0.74178%0.777SS**  cis-167.2166.90.8-1600000111.8
582T30.9Very low33.7Very low133 Ų133129.5 Ų129.582%0.81678%0.777SS**  trans64.7141.7164.357.40000120.2
583A33.8Very low33.7Very low96 Ų96128.6 Ų128.679%0.79377%0.771SS**  cis-163.8162.4-17.100000110.9
584E32.7Very low33.5Very low186 Ų186131.1 Ų131.187%0.86977%0.772SS**  trans-98.3-171.4178.7-68.5-173.111000114.3
585L32.8Very low33.5Very low155 Ų155131.2 Ų131.281%0.81277%0.771SS**  trans107.3135.9170.4-58.4165.5000113.2
586D30.1Very low33.6Very low129 Ų129131.6 Ų131.669%0.6977%0.767SS**  cis-152.5154.6-12.8-101.4-25.2000105.7
587L33.4Very low33.5Very low140 Ų140131.2 Ų131.273%0.73376%0.759SS**  cis7975.641.6-163.773.9000116.9
588F32.2Very low34.1Very low196 Ų196134.9 Ų134.986%0.8676%0.759SS**  trans-155.8129.2146.9-91.4-90000105
589S28.4Very low34.3Very low97 Ų97136 Ų13668%0.67876%0.755SS**  89147.953.8-650000114.2
590D29.3Very low34.5Very low154 Ų154140 Ų14082%0.82476%0.757SS**  trans77.592.2171.8-57.8-21.8000121.3
591D26.8Very low35.7Very low160 Ų160141.5 Ų141.586%0.85675%0.753SS**  79.9171.7117.3-1360000123.9
592L25.6Very low35.6Very low144 Ų144141.3 Ų141.375%0.75476%0.758SS**  trans-121.3177.5-156.6178.767.2000110.2
593P53.8Low35.8Very low95 Ų95139.9 Ų139.962%0.61776%0.76SS**  cis-122.2174.3-33.831.2-13.9000115.2
594K29.5Very low35.7Very low176 Ų176141.8 Ų141.877%0.76576%0.761SS**  170.7134.8125.3-91.7166.1179.4-179.20110.4
595E38.3Very low35.7Very low155 Ų155137.4 Ų137.472%0.72475%0.751SS**  61.2130.972.3-64.9-161.1131.500114.1
596L37.2Very low35.6Very low129 Ų129137 Ų13768%0.67575%0.75SS**  cis-162.3153.41.2-106.6164000111.1
597K38.4Very low35.8Very low146 Ų146138.4 Ų138.464%0.63575%0.752SS**  trans66.7128.9149-82.5164.6152.6-78.30124.6
598E45.5Very low35.7Very low141 Ų141139.6 Ų139.666%0.65975%0.754SS**  92.1129.2128.2-73.7157.8175.500125.2
599D38.8Very low35.8Very low144 Ų144138.5 Ų138.577%0.7775%0.749SS**  trans75121.6148.3-57.2-10.6000128.5
600E39.7Very low36.1Very low182 Ų182140.4 Ų140.485%0.8575%0.747SS**  trans57.7159.3140.2-75.7-81.8100.800124.5
601P55.9Low36.3Very low107 Ų107141.5 Ų141.570%0.69575%0.747SS**  trans-128-172.3-153.847-34.5000116.8
602A34Very low36.9Very low102 Ų102137.9 Ų137.984%0.84373%0.734SS**  trans-147.5162.6170.200000113.6
603A35.2Very low37.2Very low104 Ų104137 Ų13786%0.8673%0.731SS**  trans-108.7-179.5-173.400000114.8
604V33Very low36.5Very low135 Ų135139.3 Ų139.382%0.81873%0.733SS**  trans-136.8135.3-157.61750000115.1
605S31.2Very low36.9Very low95 Ų95136.9 Ų136.966%0.66472%0.723SS**  trans38.1138.3152.4-136.80000122
606N31.3Very low36.9Very low145 Ų145136.2 Ų136.278%0.77572%0.719SS**  cis84.9122.117.8-165.317.7000118.3
607Q34.6Very low36.6Very low159 Ų159139.1 Ų139.174%0.74372%0.721SS**  trans168.8156.9153.5-102.41669600110.5
608Q30.6Very low36.3Very low166 Ų166139.9 Ų139.978%0.77673%0.727SS**  cis-138.2153.15-97.2149.5-92.300108.8
609K35.7Very low35.4Very low172 Ų172136.3 Ų136.375%0.74873%0.728SS**  69.813357.1-107.3-158.7167.9-153.50114.1
610E34.3Very low34.8Very low137 Ų137136.3 Ų136.364%0.6473%0.733SS**  cis-143153.913.3-87.2-177.4153.300111.6
611H33.3Very low34.2Very low178 Ų178133.9 Ų133.982%0.82473%0.726SS**  70.2147.774-125.4-7.8000114.3
612S37.9Very low33Very low84 Ų84136.2 Ų136.259%0.58773%0.728SS**  cis-131.8-161.13.847.30000110.5
613D33Very low32.9Very low126 Ų126139.1 Ų139.167%0.67472%0.721SS**  cis-152.315411.2-94.3-54.2000107.9
614E38.9Very low32.7Very low143 Ų143141.6 Ų141.667%0.66872%0.715SS**  77.3139.864.9-62.7-140.3144.900116.6
615K37Very low32.4Very low125 Ų125138.5 Ų138.554%0.54371%0.711SS.*  cis-160.4150.810.3-137.5178.7176.748.70115.5
616E39.9Very low32.4Very low140 Ų140143 Ų14365%0.65472%0.721SS**  trans33.5148.5141.4-70.9160.2-147.700123.2
617R31.1Very low32.1Very low190 Ų190143.8 Ų143.872%0.71772%0.717SS**  -162.3161.257.5-86.8-172.7173.6-134.82.7115.3
618E30.2Very low31.9Very low162 Ų162142.1 Ų142.176%0.75771%0.71SS**  trans43.5140.8143.1-64162.1-154.700120.7
619G27.4Very low31.6Very low67 Ų67141.6 Ų141.669%0.69171%0.707SS**  cis156.9173.4-1.600000112.5
620V27Very low31.2Very low144 Ų144140.9 Ų140.987%0.87371%0.707SS**  trans85.2112.2164.8-175.60000120.1
621N26.6Very low30.9Very low130 Ų130139.6 Ų139.670%0.69571%0.713SS**  trans70.5140.7150.4-93.426.4000125.6
622E31.5Very low30.4Very low157 Ų157135.3 Ų135.373%0.73471%0.708SS**  trans69.1133.4146.1-71173.4-149.400120.8
623K31.5Very low29.7Very low162 Ų162140.9 Ų140.970%0.70472%0.722SS**  cis-159.3158-23.1-136.1177.4-172.5-85.80111.2
624E30.4Very low29.3Very low157 Ų157139.3 Ų139.373%0.73473%0.726SS**  trans-22131.8168.7-59.8146.9138.600116
625G26.9Very low28.7Very low70 Ų70136.1 Ų136.172%0.72272%0.724SS**  cis93.3103.61.200000114.5
626Q30.2Very low28.1Very low189 Ų189138.6 Ų138.688%0.88374%0.738SS**  trans-164.7153.7168.1-89.2-175.10.900108.6
627K26.8Very low27.4Very low161 Ų161139.6 Ų139.670%0.774%0.742SS**  cis-168.5174.8-29.5-149.6166.4160.2-82.70108.5
628E28.5Very low27.2Very low125 Ų125136.3 Ų136.358%0.58474%0.735SS**  trans63125.9178.3-78.993.3-106.500115.9
629E25Very low27Very low155 Ų155136.3 Ų136.372%0.72473%0.733SS**  cis85.8157.231.6-160.6-163.3-125.200113.3
630Q27.6Very low27Very low157 Ų157138.2 Ų138.273%0.73474%0.736SS**  trans82140.2164.9-53.5-175.824.800116.4
631S27.7Very low26.9Very low109 Ų109140.7 Ų140.776%0.76273%0.734SS**  cis-152.3151.3-18.9-173.40000110.9
632A23.1Very low27.8Very low88 Ų88138.7 Ų138.773%0.72773%0.729SS**  trans-70.2162.1157.500000110.8
633K23.2Very low27.5Very low202 Ų202138.4 Ų138.488%0.87873%0.732SS**  152.2132.3113.5-171.2173.6-177.8-170.90111.5
634A24.6Very low27.4Very low92 Ų92135.1 Ų135.176%0.7674%0.735SS**  trans-96152.2168.700000111.2
635A26.1Very low27.4Very low76 Ų76135.5 Ų135.563%0.62874%0.741SS**  trans-176.8145.4152.200000111.8
636E24.4Very low27.6Very low178 Ų178139.5 Ų139.583%0.83275%0.746SS**  trans63.9142.8148.4-66.3166178.100118.4
637E26.4Very low27.6Very low161 Ų161137.9 Ų137.975%0.75274%0.744SS**  cis-156.1165.61.7-123.8-170.3164.300108.3
638E26.6Very low27.9Very low121 Ų121136.7 Ų136.757%0.56574%0.744SS**  cis-158.9161.83.2-156.1-152174.500110.3
639K24.8Very low27.8Very low161 Ų161138.5 Ų138.570%0.775%0.75SS**  trans62151.3160.4-81.1-179.7-179.477.70119.3
640S28Very low28Very low108 Ų108136.8 Ų136.876%0.75576%0.756SS**  cis-156.5149.4-8.346.50000114
641K25.1Very low28.1Very low195 Ų195134.1 Ų134.185%0.84875%0.75SS**  trans-60.6178.8164.1-119.8-178.4-179.5-1760113.2
642P44.7Very low28.1Very low89 Ų89136.8 Ų136.858%0.57876%0.755SS**  cis-145-169.8-1.343.6-23.8000117.3
643D26Very low28.6Very low151 Ų151137 Ų13781%0.80776%0.757SS**  trans65.2163.9145-63.2-19.8000121.2
644A29.9Very low28.9Very low93 Ų93133.4 Ų133.477%0.76975%0.752SS**  cis-167.5172.6-3300000109.3
645L30.7Very low29Very low164 Ų164134.4 Ų134.486%0.85975%0.749SS**  trans-87.8138.7-177.7-66.9168.8000113.9
646D30.1Very low29.3Very low155 Ų155137.3 Ų137.383%0.82975%0.754SS**  165.1140.9119.6-95.1-20.7000112.4
647D30.3Very low29.9Very low155 Ų155135.5 Ų135.583%0.82975%0.747SS**  -179.2173.193-155.7-6.5000110.5
648L32.7Very low30.1Very low136 Ų136137.3 Ų137.371%0.71275%0.748SS**  trans-133.7-174.6-161.1-141.190.5000115.1
649F28Very low30.2Very low162 Ų162135.5 Ų135.571%0.71175%0.749SS**  trans75.4123162-87.4-75.9000122.2
650S27.8Very low30.5Very low120 Ų120132.4 Ų132.484%0.83975%0.748SS**  -167.281122.3-83.20000115.1
651T29.9Very low30.5Very low100 Ų100135 Ų13561%0.61375%0.752SS**  4399.2125.8-43.40000122.8
652L28.8Very low30.5Very low166 Ų166131.7 Ų131.787%0.86975%0.748SS**  55.2133.3129.5-58.7174.3000124.9
653A32Very low29.8Very low92 Ų92132.3 Ų132.376%0.7676%0.755SS**  trans74.3152.1147.600000119
654T30.6Very low29.9Very low126 Ų126132.6 Ų132.677%0.77376%0.755SS**  cis-157.6168.317.5-26.50000112.8
655T27.2Very low29.7Very low114 Ų114133.2 Ų133.270%0.69975%0.754SS**  trans87.995.8145.6-58.60000121.9
656D32.2Very low29.6Very low136 Ų136135 Ų13573%0.72775%0.754SS**  70.1122.4121-70-44.8000127.1
657M35.8Very low29.4Very low140 Ų140132.6 Ų132.669%0.6976%0.756SS**  91.4123.8122.4-69.3-86-79.200123.7
658Y30.8Very low29.3Very low200 Ų200136.5 Ų136.578%0.78476%0.759SS**  trans73.3142.7145.7-90.1-129.3000119.5
659S29.8Very low29Very low82 Ų82137.9 Ų137.957%0.57377%0.767SS**  cis-170.4169.1-15.9-167.60000112.1
660S29.9Very low29Very low97 Ų97137.2 Ų137.268%0.67877%0.771SS**  trans94.1131144.9-59.10000118.8
661L28.5Very low29.6Very low163 Ų163136.5 Ų136.585%0.85376%0.764SS**  cis-152.8128-6.6-104165.1000111
662T26Very low29.4Very low124 Ų124138 Ų13876%0.76177%0.772SS**  trans-80.5171.414210.40000107.4
663S28.5Very low29.2Very low103 Ų103133.3 Ų133.372%0.7276%0.764SS**  cis-176.4-16028.8-137.60000108.9
664I27.7Very low28.9Very low157 Ų157136.6 Ų136.681%0.80576%0.763SS**  trans102.2125.4157.7-59.4178.2000115.6
665S27Very low28.6Very low106 Ų106137 Ų13774%0.74176%0.757SS**  cis-162.4162.3-16.5-106.40000113.8
666K27.6Very low28.6Very low201 Ų201137.7 Ų137.787%0.87476%0.756SS**  trans-46.3164.3154.9-79.3169.7176.91740112.7
667A27.1Very low28.2Very low104 Ų104137.4 Ų137.486%0.8676%0.755SS**  cis-153.2-17442.100000116.3
668R27.8Very low27.8Very low237 Ų237136.5 Ų136.589%0.89476%0.756SS**  trans-122.9133.7-174.5155.5-174.5175.1150.5-2.7107.9
669D25.6Very low27.7Very low166 Ų166133.7 Ų133.789%0.88876%0.76SS**  trans-158.2159.2160.1-102-39.6000111.3
670N28.3Very low27.5Very low147 Ų147133 Ų13379%0.78677%0.766SS**  trans-154.5127.5178.3177.826.2000108.1
671P41.8Very low27.4Very low106 Ų106133.3 Ų133.369%0.68877%0.774SS**  -150.5169.6122.138.6-22.6000115.9
672V25.1Very low27.2Very low131 Ų131132.9 Ų132.979%0.79477%0.773SS**  trans17.9132.4137.7-173.60000117.6
673G24.8Very low27.4Very low67 Ų67133 Ų13369%0.69177%0.773SS**  cis147.3-169.38.300000111
674Q25.2Very low27.3Very low161 Ų161133.6 Ų133.675%0.75278%0.777SS**  trans70.8119.3170.9-84.6174.9-94.200120.5
675E24.6Very low27.3Very low136 Ų136131.3 Ų131.364%0.63678%0.775SS**  102.9112.3127.8-75.1-174.5-141.300124.1
676N26.3Very low27.3Very low127 Ų127133.4 Ų133.468%0.67978%0.778SS**  75.8145.7123.2-67.5-26.2000122
677N24.4Very low27.4Very low131 Ų131129.7 Ų129.770%0.70177%0.772SS**  cis-171.1153-25.5-161.4-2.8000110.4
678V26.5Very low27.5Very low120 Ų120129 Ų12973%0.72776%0.76SS**  trans55.3156.9168.1-114.70000117.5
679V28.9Very low27.4Very low141 Ų141124.4 Ų124.486%0.85575%0.754SS**  cis-142.41523.9-169.10000106.4
680G25.9Very low27.6Very low68 Ų68123 Ų12370%0.70175%0.751SS**  cis156.3-168.8-1.600000110.2
681A29.1Very low27.6Very low103 Ų103124.9 Ų124.985%0.85176%0.755SS**  trans85.284.3171.800000120.6
682D23.4Very low27.1Very low155 Ų155128.4 Ų128.483%0.82976%0.762SS**  96.1149.2106.6-130.4-14000123.8
683V29.1Very low27.2Very low127 Ų127129.7 Ų129.777%0.7776%0.76SS**  trans68.9136.1167.4-172.10000119.9
684S26.3Very low27.2Very low114 Ų114132 Ų13280%0.79777%0.765SS**  trans-131.1148.5174.3169.50000109.5
685S29.2Very low27.3Very low109 Ų109131 Ų13176%0.76276%0.764SS**  trans-175.2118.1149.748.90000112.9
686D26.9Very low27.4Very low150 Ų150132.7 Ų132.780%0.80277%0.77SS**  34.9165.7125.7-115.9-137.4000125.2
687V29.8Very low27.4Very low124 Ų124133.3 Ų133.375%0.75277%0.768SS**  trans-61.2176.6-174.1-52.70000115.5
688S28.5Very low27.5Very low88 Ų88133.4 Ų133.462%0.61577%0.774SS**  cis-156.2177.812.169.40000113.5
689D26.6Very low27.3Very low142 Ų142133.4 Ų133.476%0.75978%0.779SS**  trans56.1127.7154.8-70.3-72.8000123.2
690V29.6Very low27.1Very low136 Ų136133.7 Ų133.782%0.82478%0.775SS**  171.1140.4103159.90000109.4
691E28.1Very low27.1Very low186 Ų186138.5 Ų138.587%0.86978%0.777SS**  trans-84.9139.4173.1-56.8179.5111.200112.4
692E30.1Very low26.9Very low180 Ų180140.4 Ų140.484%0.84178%0.777SS**  -179.8157.5109.8-124.4-165.4141.900114.1
693E27.3Very low27Very low158 Ų158138.2 Ų138.274%0.73877%0.766SS**  trans28110.2153.4-88.2-69.8112.600121.5
694S24.6Very low26.8Very low116 Ų116136.2 Ų136.281%0.81176%0.757SS**  -174.6125.8121.7-175.20000113.5K696S694-K696 PolarHBondContact O-N 3.17Å
695L28.1Very low27.6Very low139 Ų139136.4 Ų136.473%0.72876%0.756SS**  trans-79.5111.8172.4-76.3170000112.7
696K26Very low27.3Very low172 Ų172138.9 Ų138.975%0.74876%0.755SS**  -177.4147119.6-102.1163.6-122.372.50115.1S694S694-K696 PolarHBondContact O-N 3.17Å
697E26.8Very low28.1Very low140 Ų140136.8 Ų136.865%0.65475%0.75SS**  trans-54.6137.8168.8-41.4144.897.500112K2K2-E697 IonicContact NZ-OE2 2.78Å; K2-E697 PolarHBondContact NZ-OE2 2.94Å
698T27.4Very low27.9Very low134 Ų134138.8 Ų138.882%0.82275%0.751SS**  172.2141.79530.70000110.2
699S21.5Very low27.6Very low119 Ų119138.3 Ų138.383%0.83275%0.748SS**  trans-129.7124.7156.9-157.30000111.6
700L24.7Very low27.4Very low148 Ų148139.1 Ų139.178%0.77575%0.747SS**  trans-43.2139.8171.5-60.1162.2000111.8
701K25.3Very low27.2Very low168 Ų168140.5 Ų140.573%0.7375%0.745SS**  66.9121.560.5179.5177.31761780113.7
702V25Very low26.9Very low143 Ų143139 Ų13987%0.86774%0.737SS**  trans-156.1147.2158.5142.80000107.7
703D25.6Very low26.5Very low109 Ų109137.9 Ų137.958%0.58373%0.732SS**  cis-162.3150.9-36.7-151.9-134.6000112.1
704S24.9Very low26.1Very low85 Ų85135.8 Ų135.859%0.59473%0.731SS**  trans53.4169.4142.1-72.40000123.2
705P43.5Very low26Very low118 Ų118138.2 Ų138.277%0.76673%0.729SS**  cis-124.7166.82.538.7-22.8000118.3
706E24.1Very low25.8Very low161 Ų161135.7 Ų135.775%0.75272%0.723SS**  trans-33.2174.8148.6-85.1-179.799.500118.6
707P43.5Very low25.7Very low106 Ų106133.1 Ų133.169%0.68872%0.722SS**  cis-138.4173.521.833.3-9.9000119.6
708E24.1Very low25.6Very low167 Ų167134.3 Ų134.378%0.7873%0.727SS**  trans12.2158.3137.3-55.4-172.410900122.3
709S22.4Very low25.5Very low77 Ų77132 Ų13254%0.53872%0.717SS.*  cis-174179.8-21.761.20000110.1
710Q23.3Very low25.6Very low160 Ų160132.1 Ų132.175%0.74871%0.713SS**  trans87.7129.1160.6-67165.961.600122.5
711Q24.1Very low26.6Very low165 Ų165130.1 Ų130.177%0.77171%0.709SS**  trans68.595.7139.2-68.3179.2-19.400123.3
712E21.8Very low26.6Very low153 Ų153127.4 Ų127.472%0.71571%0.711SS**  42.8125.3115.3-73-160.693.500124.1
713Q21.8Very low27.3Very low157 Ų157126.7 Ų126.773%0.73471%0.709SS**  trans63.4138.5145.1-52.3-177.939.600117.4
714T20.6Very low27.3Very low115 Ų115129.4 Ų129.471%0.70672%0.723SS**  cis-161.9168.437.648.60000112.9
715E22.7Very low29Very low166 Ų166130.9 Ų130.978%0.77673%0.73SS**  trans72.2126.8153.1-64.4-124.87300119
716S23.8Very low29.3Very low87 Ų87131 Ų13161%0.60873%0.731SS**  88151.470.1-500000112.2
717T23.6Very low29.4Very low118 Ų118132.3 Ų132.372%0.72474%0.737SS**  cis-164.8154.610.5-14.30000112.1
718E24.4Very low28.6Very low164 Ų164131.4 Ų131.477%0.76674%0.739SS**  trans62.5169.6141.5-115.1-168.795.100120.9
719S24.1Very low28.8Very low86 Ų86128.6 Ų128.660%0.60174%0.744SS**  cis-149.71381.1-48.10000113.7
720T23.6Very low29Very low121 Ų121130 Ų13074%0.74276%0.761SS**  59.1155.9115.1-45.40000121.3
721P46.6Very low29.2Very low107 Ų107133.9 Ų133.970%0.69577%0.769SS**  -140-177.6-52.945.6-27.7000117.5
722S24.3Very low29.3Very low110 Ų110130.5 Ų130.577%0.76976%0.763SS**  trans9.3160.8141.5-55.80000123.8
723P40.5Very low29.6Very low128 Ų128130.9 Ų130.983%0.83177%0.769SS**  cis-149.4-162.834.443.9-20.8000119.6
724L26.7Very low31.2Very low167 Ų167128.8 Ų128.887%0.87477%0.769SS**  trans-127.9-174.6-173.6-75.4167.5000112
725P60.5Low32.3Very low116 Ų116128.3 Ų128.375%0.75377%0.768SS**  cis-114.5-101.4-14.222.82.2000113.8
726P48.5Very low32.4Very low121 Ų121128.2 Ų128.279%0.78677%0.768SS**  cis-125.2-126.38.143.4-23.7000117.2
727Q27.3Very low32.5Very low187 Ų187129.7 Ų129.787%0.87477%0.773SS**  trans-121176.3-163.9-77.4175.5-10.700113.5
728A26.8Very low32.6Very low88 Ų88129 Ų12973%0.72777%0.773SS**  cis-176.1160.3-28.900000113
729A27.4Very low33.8Very low108 Ų108126.9 Ų126.989%0.89377%0.773SS**  trans64.8124.6149.400000124.4
730A25.6Very low34.5Very low107 Ų107128.9 Ų128.988%0.88478%0.784SS**  trans-158.9156147.200000110.6
731R27.9Very low34.7Very low241 Ų241128 Ų12891%0.90978%0.783SS**  trans-159.8153.4-176.6-162.9177.3-175.4-176.32.2113.1
732S26.8Very low33.8Very low94 Ų94129.3 Ų129.366%0.65778%0.784SS**  trans80.9121.5172.7-54.80000115.7
733L28.6Very low34.7Very low160 Ų160129.7 Ų129.784%0.83878%0.783SS**  83.8145.858.9-74163000113.6
734P54.9Low34.1Very low114 Ų114130.1 Ų130.174%0.7477%0.774SS**  cis-123.3-125.1-20.336.2-13.8000109.7
735P43.2Very low34.3Very low105 Ų105130.5 Ų130.568%0.68277%0.774SS**  cis-134.8163.2-39.437.2-19000117.9
736Q26.1Very low33.1Very low164 Ų164130.9 Ų130.977%0.76677%0.769SS**  trans66.9138.9139.3-79-73.631.300126.5
737T24.7Very low32.3Very low118 Ų118133.5 Ų133.572%0.72477%0.769SS**  trans66153159.761.60000121.8
738S25.3Very low32.7Very low102 Ų102134.4 Ų134.471%0.71377%0.77SS**  cis-163.2-139.6-28.7-83.30000111.4
739P49.6Very low33.1Very low120 Ų120136.5 Ų136.578%0.77976%0.764SS**  -97.6-175.2-127.333.5-12.9000115.3
740P38.6Very low33.6Very low128 Ų128135.8 Ų135.883%0.83175%0.753SS**  cis-137.3-146.618.344.3-22.7000116.1
741S28.8Very low34.2Very low102 Ų102135.4 Ų135.471%0.71374%0.736SS**  trans-162.4-176.1-164.654.40000114.7
742L27.5Very low35.1Very low136 Ų136129.5 Ų129.571%0.71273%0.729SS**  trans87.6158.4167-59.3179000118.8E744L742-E744 HydrophobicContact CD2-CB 4.28Å
743P43.3Very low35.7Very low117 Ų117132.7 Ų132.776%0.7673%0.731SS**  cis-106.9166.9015.38.3000113.9
744E28.4Very low36.7Very low138 Ų138129.4 Ų129.465%0.64572%0.718SS**  cis93.1111.223.1-171.1-177.4-166.800115.5L742L742-E744 HydrophobicContact CD2-CB 4.28Å
745M31.2Very low36.3Very low175 Ų175131 Ų13186%0.86272%0.72SS**  trans-168.8148.5141.4-153.160.365.300111.1
746D34.5Very low36.4Very low123 Ų123133.9 Ų133.966%0.65872%0.724SS**  trans-88.9170.1-174.9-56.4-83.9000115.4
747F31.9Very low37.5Very low176 Ų176128.9 Ų128.977%0.77270%0.703SS**  trans-148.467.4149.8-147.4-93.6000113.8H749F747-H749 HydrophobicContact CD1-CB 4.23Å; F747-H749 AromaticContact CD2-CD2 3.89Å; F747-H749 HydrophobicContact CE1-CB 3.82Å; F747-H749 HydrophobicContact CE2-CB 4.12Å; F747-H749 AromaticContact CE2-CD2 3.94Å; F747-H749 HydrophobicContact CZ-CB 3.77Å
748F36.2Very low38.7Very low207 Ų207128.2 Ų128.291%0.90870%0.7SS**  trans-99.176.4158.1-137.7-63.8000108
749H33.6Very low39.7Very low131 Ų131132 Ų13261%0.60670%0.704SS**  trans-129.4158.2-178.2-72.6-52.6000111.9F747F747-H749 HydrophobicContact CD1-CB 4.23Å; F747-H749 AromaticContact CD2-CD2 3.89Å; F747-H749 HydrophobicContact CE1-CB 3.82Å; F747-H749 HydrophobicContact CE2-CB 4.12Å; F747-H749 AromaticContact CE2-CD2 3.94Å; F747-H749 HydrophobicContact CZ-CB 3.77Å
750S38.4Very low39.6Very low93 Ų93134 Ų13465%0.6570%0.701SS**  trans-59.8160.2-164.8-48.50000115.1
751D39.1Very low39.8Very low100 Ų100135.3 Ų135.354%0.53570%0.696SS.*  trans-44.3120.1153.4169.25.2000110F753 T754D751-F753 PolarHBondContact O-N 2.91Å; D751-F753 PolarHBondContact OD1-N 3.45Å; D751-T754 HydrophobicContact CB-CG2 3.95Å; D751-T754 PolarHBondContact O-N 2.85Å; D751-T754 PolarHBondContact O-OG1 2.79Å
752P46.9Very low40.5Very low116 Ų116134.9 Ų134.975%0.75369%0.686SS**THydrogen-bonded Turntrans-75.61.8-173.831.3-35.8000114.5
753F37.8Very low41.4Very low162 Ų162134 Ų13471%0.71169%0.688SS**THydrogen-bonded Turntrans-108.710.2175.1-75.9-74.2000114.9D751 D755D751-F753 PolarHBondContact O-N 2.91Å; D751-F753 PolarHBondContact OD1-N 3.45Å; F753-D755 PolarHBondContact O-N 2.78Å
754T50.8Low41.4Very low90 Ų90137.2 Ų137.255%0.55269%0.69SS**THydrogen-bonded Turntrans-69.1-10177.7530000115.6D751D751-T754 HydrophobicContact CB-CG2 3.95Å; D751-T754 PolarHBondContact O-N 2.85Å; D751-T754 PolarHBondContact O-OG1 2.79Å
755D46.6Very low42.3Very low147 Ų147132.5 Ų132.579%0.78668%0.679SS**THydrogen-bonded Turntrans-120.317.3-174.2-83.4-56.8000115.5F753F753-D755 PolarHBondContact O-N 2.78Å
756H45.4Very low42.7Very low166 Ų166133.1 Ų133.177%0.76968%0.677SS**  trans-172.8101.7145.6-112.1-73.2000111.1P758H756-P758 WeakPolarHBondContact O-CD 3.36Å
757D47.8Very low42.8Very low60 Ų60132 Ų13232%0.32168%0.684SS.*  trans-87113.2166.4-178.9-17.5000108.8F759 K760D757-F759 PolarHBondContact O-N 3.47Å; D757-F759 PolarHBondContact OD1-N 3.01Å; D757-K760 HydrophobicContact CB-CB 4.2Å; D757-K760 HydrophobicContact CB-CD 3.97Å; D757-K760 HydrophobicContact CB-CG 3.93Å; D757-K760 PolarHBondContact O-N 2.86Å; D757-K760 WeakPolarHBondContact OD2-CG 3.14Å; D757-K760 IonicContact OD2-NZ 2.68Å; D757-K760 PolarHBondContact OD2-NZ 2.67Å
758P51.3Low43.1Very low103 Ų103131.3 Ų131.367%0.66969%0.689SS**THydrogen-bonded Turntrans-71.2-6.5-176.630.5-35.2000113.7H756H756-P758 WeakPolarHBondContact O-CD 3.36Å
759F47Very low43.1Very low182 Ų182128.2 Ų128.280%0.79869%0.686SS**THydrogen-bonded Turntrans-104.78.8175.3-62.6-77.5000113.3D757D757-F759 PolarHBondContact O-N 3.47Å; D757-F759 PolarHBondContact OD1-N 3.01Å
760K47.5Very low43.4Very low163 Ų163126.1 Ų126.171%0.70969%0.691SS**SBendtrans-92-1.7171.1-78-172.7178.294.50115.2D757D757-K760 HydrophobicContact CB-CB 4.2Å; D757-K760 HydrophobicContact CB-CD 3.97Å; D757-K760 HydrophobicContact CB-CG 3.93Å; D757-K760 PolarHBondContact O-N 2.86Å; D757-K760 WeakPolarHBondContact OD2-CG 3.14Å; D757-K760 IonicContact OD2-NZ 2.68Å; D757-K760 PolarHBondContact OD2-NZ 2.67Å
761E41.8Very low43.3Very low154 Ų154128 Ų12872%0.7269%0.694SS**SBendtrans-10485.1161.4-74-69.4169.900108.9P763E761-P763 VanDerWaalsContact O-CD 3.26Å; E761-P763 WeakPolarHBondContact O-CD 3.31Å
762D44.2Very low44Very low94 Ų94128.4 Ų128.450%0.50370%0.702SS.*  trans-61.3115.5167.716717.6000109.5F764 G765D762-F764 PolarHBondContact O-N 2.78Å; D762-F764 PolarHBondContact OD1-N 3.48Å; D762-G765 PolarHBondContact O-N 2.91Å; D762-G765 VanDerWaalsContact O-N 3.13Å; D762-G765 WeakPolarHBondContact OD2-CA 3.31Å; D762-G765 PolarHBondContact OD2-N 2.84Å
763P46Very low43.6Very low117 Ų117131.5 Ų131.576%0.7670%0.704SS**THydrogen-bonded Turntrans-63.5-13.1-177.6-22.134.7000114.7E761E761-P763 VanDerWaalsContact O-CD 3.26Å; E761-P763 WeakPolarHBondContact O-CD 3.31Å
764F43.6Very low43.6Very low184 Ų184127.9 Ų127.981%0.80771%0.712SS**THydrogen-bonded Turntrans-109.21.4-178.6-59.8-80.6000113.1D762 K766D762-F764 PolarHBondContact O-N 2.78Å; D762-F764 PolarHBondContact OD1-N 3.48Å; F764-K766 VanDerWaalsContact C-N 3.3Å; F764-K766 PolarHBondContact O-N 3.13Å
765G47.5Very low43.3Very low39 Ų39126.6 Ų126.640%0.40272%0.717SS.*  trans-77.836.2-169.200000117.9D762D762-G765 PolarHBondContact O-N 2.91Å; D762-G765 VanDerWaalsContact O-N 3.13Å; D762-G765 WeakPolarHBondContact OD2-CA 3.31Å; D762-G765 PolarHBondContact OD2-N 2.84Å
766K38Very low43.2Very low189 Ų189125.5 Ų125.582%0.82271%0.711SS**SBendtrans-162.5141.4165.5-94.6119.7-157.71600115.4F764F764-K766 VanDerWaalsContact C-N 3.3Å; F764-K766 PolarHBondContact O-N 3.13Å
767A36.4Very low43.8Very low98 Ų98122.9 Ų122.981%0.8171%0.709SS**  trans78.8113.6160.700000118.4
768D39Very low43.5Very low163 Ų163128 Ų12887%0.87273%0.729SS**  trans-59.7134.1178-45.2-103000114.9
769V37.3Very low43.4Very low141 Ų141132.6 Ų132.686%0.85574%0.739SS**  trans-148.1119133.6175.90000110
770A39.2Very low43.6Very low87 Ų87127.3 Ų127.372%0.71974%0.735SS**  trans10.8119.5160.700000121.1
771D35.5Very low43.4Very low133 Ų133124.5 Ų124.571%0.71174%0.736SS**  trans-71125.5144.5177.5-4.3000109.4F773D771-F773 PolarHBondContact OD1-N 3.05Å
772P54.8Low43.4Very low108 Ų108122.6 Ų122.670%0.70173%0.731SS**SBendtrans-86.9-2.7-179.234.3-34.5000115.7
773F39.2Very low43.8Very low182 Ų182123.3 Ų123.380%0.79874%0.741SS**  trans-11857.5-176-77.7-77.6000114.1D771 G775D771-F773 PolarHBondContact OD1-N 3.05Å; F773-G775 PolarHBondContact O-N 2.95Å; F773-G775 VanDerWaalsContact O-N 3.11Å
774G36.8Very low43.7Very low85 Ų85127.1 Ų127.188%0.87675%0.746SS**  trans-65.1108.117100000113
775G43.7Very low43.6Very low64 Ų64121.6 Ų121.666%0.6673%0.734SS**  trans156.582169.800000115.4F773 P777F773-G775 PolarHBondContact O-N 2.95Å; F773-G775 VanDerWaalsContact O-N 3.11Å; G775-P777 WeakPolarHBondContact O-CD 3.24Å
776D46.1Very low43.2Very low123 Ų123124 Ų12466%0.65875%0.75SS**  trans-67.5120.5159.9178.60.9000109.1F778D776-F778 VanDerWaalsContact C-N 3.25Å; D776-F778 PolarHBondContact O-N 2.79Å; D776-F778 VanDerWaalsContact O-N 3.12Å
777P56.9Low43.1Very low112 Ų112121.7 Ų121.773%0.72775%0.746SS**THydrogen-bonded Turntrans-67.9-12.5-165.9-23.235.1000116.5G775G775-P777 WeakPolarHBondContact O-CD 3.24Å
778F41.7Very low43.2Very low167 Ų167121.5 Ų121.573%0.73274%0.74SS**THydrogen-bonded Turntrans-10221.2-169.8-69.7-77.5000115.7D776 G780D776-F778 VanDerWaalsContact C-N 3.25Å; D776-F778 PolarHBondContact O-N 2.79Å; D776-F778 VanDerWaalsContact O-N 3.12Å; F778-G780 PolarHBondContact O-N 3.14Å
779K49.6Very low42.9Very low200 Ų200123.2 Ų123.287%0.8774%0.74SS**THydrogen-bonded Turntrans-68.664.1162.1-76.9-70.4-174.7-173.10112
780G50Low42.6Very low70 Ų70124.9 Ų124.972%0.72274%0.735SS**THydrogen-bonded Turntrans-167.8-10.4-179.400000117.7F778F778-G780 PolarHBondContact O-N 3.14Å
781S44.2Very low42.2Very low105 Ų105127.1 Ų127.173%0.73474%0.74SS**  trans-142.569.8-171.9-57.40000114
782D42.5Very low42.1Very low114 Ų114129 Ų12961%0.6175%0.745SS**  trans-96.9119.5158-179.6-15.3000108F784D782-F784 VanDerWaalsContact C-N 3.32Å; D782-F784 PolarHBondContact O-N 3.39Å; D782-F784 PolarHBondContact OD1-N 3.5Å
783P51.2Low41.2Very low109 Ų109129.9 Ų129.971%0.70875%0.751SS**THydrogen-bonded Turntrans-78.5-3.9-176.130.5-33.6000115.4
784F45.1Very low40.8Very low197 Ų197126.6 Ų126.686%0.86475%0.75SS**THydrogen-bonded Turntrans-130.923.7-173.8-71.5-70.3000115.8D782D782-F784 VanDerWaalsContact C-N 3.32Å; D782-F784 PolarHBondContact O-N 3.39Å; D782-F784 PolarHBondContact OD1-N 3.5Å
785A41.5Very low40.4Very low67 Ų67127.3 Ų127.355%0.55474%0.742SS**  trans-103.6139.9172.800000113
786A39.2Very low39.7Very low91 Ų91131.1 Ų131.175%0.75275%0.747SS**  trans72.9143.2-177.500000115.7
787D35.7Very low38.8Very low139 Ų139131.5 Ų131.574%0.74375%0.754SS**  cis-140.3145.21-103-25.9000110
788S37.6Very low37.6Very low95 Ų95135 Ų13566%0.66476%0.758SS**  88.566.254.3-52.10000116.1
789F33Very low38Very low199 Ų199132.9 Ų132.987%0.87376%0.761SS**  trans-131.6133.8150-75.4-98.4000106.1
790F30.4Very low37Very low175 Ų175129 Ų12977%0.76876%0.759SS**  cis-162.7142.235.6-163.7-90.7000110.6
791T31.6Very low36.2Very low134 Ų134134.5 Ų134.582%0.82276%0.763SS**  trans176.9152.1136.724.80000113
792Q34.4Very low35.6Very low174 Ų174136.3 Ų136.381%0.81377%0.765SS**  trans-106.4152.6175-66.9-96.3-60.400110.5
793P35.5Very low35.7Very low126 Ų126135.7 Ų135.782%0.81877%0.767SS**  trans-123.8169.8138.136.7-29.1000112.1
794S29.5Very low34.4Very low112 Ų112139.2 Ų139.278%0.78377%0.772SS**  trans-120.6160.8-151.555.60000117.1
795S29.6Very low33.6Very low100 Ų100134.7 Ų134.770%0.69976%0.764SS**  trans94.8123.9150.778.10000121.4
796N28.7Very low33.2Very low144 Ų144136 Ų13677%0.7778%0.775SS**  trans54.6122.9147-54.8-17.4000119.3
797T27.1Very low33Very low132 Ų132137.5 Ų137.581%0.8178%0.78SS**  -163.4154.960.8-61.90000113.5
798F30.9Very low32.9Very low186 Ų186134.1 Ų134.182%0.81678%0.778SS**  trans-43.8166.1169.3-65.6-79.9000116.5
799P49.8Very low32.8Very low121 Ų121137.3 Ų137.379%0.78679%0.788SS**  cis-148.3-170.927.545.3-25.4000119.1
800S29.3Very low33.7Very low120 Ų120132.5 Ų132.584%0.83978%0.777SS**  trans107.6152.8153.3-149.30000118.4
801K34.2Very low33.7Very low185 Ų185134.1 Ų134.180%0.80478%0.784SS**  trans-126.2167.4-177.6-84.1-172.5171.5-171.50110.4
802D29.9Very low33.7Very low143 Ų143130.6 Ų130.677%0.76577%0.774SS**  trans68165.5156.2-93.8-29.8000117.1
803P45.5Very low33.5Very low101 Ų101129.3 Ų129.366%0.65678%0.778SS**  cis-133.9172.2-15.627.6-5.5000115.2
804F23.2Very low33.4Very low183 Ų183129.4 Ų129.480%0.80378%0.777SS**  trans38.4117.1145.5-81.6-108.7000123
805S29.9Very low34.1Very low102 Ų102130.1 Ų130.171%0.71378%0.779SS**  78.1145121.3-62.40000125
806A31.2Very low33.9Very low95 Ų95129.3 Ų129.379%0.78579%0.786SS**  trans71.9156.7147.600000118.1
807S35.3Very low33.8Very low121 Ų121130.4 Ų130.485%0.84679%0.79SS**  cis-173.6166-15.545.80000107.5
808G33.5Very low34.7Very low69 Ų69129.3 Ų129.371%0.71179%0.785SS**  cis138.4116-0.500000112.7
809D36.8Very low34.5Very low161 Ų161128.8 Ų128.886%0.86179%0.785SS**  trans62.6-171.1167.7-126.5-7000116
810P51.7Low34.6Very low99 Ų99127.9 Ų127.964%0.64378%0.779SS**  cis-137.6161.515.543.2-25000119.2
811F29.4Very low34.5Very low209 Ų209128.9 Ų128.992%0.91778%0.775SS**  trans-176.9119.6132.4-101.1-65.5000111.7
812G33.3Very low34.2Very low60 Ų60126.2 Ų126.262%0.61977%0.769SS**  cis164.5159-14.100000114.7
813T29.9Very low33.9Very low146 Ų146128.5 Ų128.590%0.89677%0.773SS**  trans111.4135163.2-40.90000117.4
814T33.5Very low33Very low128 Ų128127.8 Ų127.879%0.78578%0.776SS**  trans-101.1-176.7-170.448.20000111.8
815P42.4Very low33.3Very low128 Ų128123.8 Ų123.883%0.83178%0.776SS**  cis-139.5173.110.143.6-25.6000118.1
816G26.4Very low33.2Very low82 Ų82128.1 Ų128.185%0.84578%0.782SS**  trans161.9108.1161.600000117.5
817I27.4Very low33.1Very low167 Ų167127.7 Ų127.786%0.85678%0.779SS**  trans-122.8141.1162.6-89.1174.1000104.3
818P44.8Very low32.8Very low110 Ų110129.7 Ų129.771%0.71477%0.772SS**  -146.2175.155.525.61.2000119.1
819E26.8Very low32.6Very low175 Ų175132.1 Ų132.182%0.81877%0.768SS**  -2.5166.5129.1-77.8-167.7132.100120.7
820P51.7Low32.2Very low101 Ų101132.7 Ų132.766%0.65677%0.766SS**  cis-152.7-173-33.145.8-27.6000116
821D28.1Very low32Very low142 Ų142133.2 Ų133.276%0.75977%0.77SS**  trans63.3167.9136-141.1-1000124.5
822L27.4Very low32.1Very low129 Ų129127.3 Ų127.368%0.67576%0.759SS**  trans81.2105152.9-65.4175.1000122.3
823F23.3Very low32.1Very low190 Ų190128.7 Ų128.783%0.83377%0.765SS**  74.2101.9128.9-93.2-117.5000122.1
824A27.7Very low33Very low87 Ų87127.4 Ų127.472%0.71976%0.759SS**  83.5154.4110.800000121.9
825A29.7Very low34Very low98 Ų98126.8 Ų126.881%0.8176%0.757SS**  trans67.2138.4163.600000117.6
826K26.9Very low35Very low194 Ų194126.2 Ų126.284%0.84375%0.753SS**  cis158.2144.8-7158.7174.2174.3176.80104
827A30.2Very low36.2Very low86 Ų86127.2 Ų127.271%0.71175%0.745SS**  trans71.9160.2173.700000114.4
828K28.7Very low36.6Very low162 Ų162124.2 Ų124.270%0.70474%0.739SS**  cis-163.3170.5-10.7-134.6173.2154.5-76.50110.1
829D29.6Very low35.9Very low120 Ų120124.3 Ų124.364%0.64274%0.742SS**  trans65.6114.7146.6-62.9-23.6000120.6
830E27.9Very low36.2Very low174 Ų174120.2 Ų120.281%0.81374%0.738SS**  trans-38.2171.5134-110.7-130.8145.500114.2
831P47Very low35.1Very low110 Ų110122.2 Ų122.271%0.71475%0.749SS**  cis-145.6-169.729.936.3-12.8000116.6
832A32.1Very low36.3Very low84 Ų84120.8 Ų120.869%0.69475%0.747SS**  trans118.8113.613100000118.5
833A32.5Very low36.6Very low90 Ų90121.5 Ų121.574%0.74476%0.757SS**  trans-77-164.9152.500000109.6
834P50Low37.9Very low118 Ų118117.5 Ų117.577%0.76675%0.75SS**  cis-138-149.86.835.7-8.4000112.6
835P53.2Low38.1Very low116 Ų116120.4 Ų120.475%0.75375%0.754SS**  -126.8-129.5-75.244.9-27.9000113.1
836P64.3Low38.9Very low115 Ų115120.7 Ų120.775%0.74775%0.747SS**  trans-119.8-140.7-149.933.6-4000109.9
837P52.1Low39Very low103 Ų103120.3 Ų120.367%0.66975%0.746SS**  cis-141173.9-8.343.7-24.6000118.2
838S33.9Very low39.2Very low105 Ų105121.5 Ų121.573%0.73474%0.744SS**  trans35.1127.4141.1-55.90000123.9
839S31.7Very low39.4Very low112 Ų112118.3 Ų118.378%0.78374%0.742SS**  85129.4127.369.30000122.5
840A32Very low39.3Very low88 Ų88121.5 Ų121.573%0.72775%0.75SS**  trans54.3128.5143.600000121.7
841T28.1Very low39.5Very low143 Ų143118.8 Ų118.888%0.87775%0.746SS**  -172.8163.4111.221.60000112.1
842P54.1Low38.7Very low112 Ų112120.5 Ų120.573%0.72775%0.754SS**  trans-111.4175.5-168.942.4-35.4000114.8
843T32.9Very low38.5Very low144 Ų144123.7 Ų123.788%0.88376%0.76SS**  trans-168.116114710.30000110.6
844P50.8Low39.2Very low106 Ų106125 Ų12569%0.68876%0.761SS**  trans-123.8-178.8-153.545-35.7000117.6
845D31.7Very low38.3Very low149 Ų149123.6 Ų123.680%0.79776%0.759SS**  trans74159.4154.7-91.5-34.2000118.6
846P48.1Very low37.2Very low104 Ų104123.3 Ų123.368%0.67576%0.76SS**  cis-134.8177.713.845.5-30.1000118.6
847F28.1Very low35.7Very low185 Ų185123.2 Ų123.281%0.81176%0.762SS**  trans9198.1155.3-94.3-91.2000122.5
848V34.6Very low35.1Very low111 Ų111124.7 Ų124.767%0.67376%0.764SS**  trans74.484.1132.1-1790000121.8
849S31.9Very low35.4Very low96 Ų96125.5 Ų125.567%0.67177%0.767SS**  15.4120.3116.762.80000123.8
850K28.9Very low35.3Very low186 Ų186129 Ų12981%0.80977%0.768SS**  88.3121.3104.2-157.5-174-178.7-176.70122.6
851T32Very low35.3Very low118 Ų118130.1 Ų130.172%0.72477%0.771SS**  trans56.3122149.956.60000123.8
852T29.7Very low35.9Very low145 Ų145127.8 Ų127.889%0.8976%0.761SS**  trans-162156.2140.77.70000113.7
853N28.9Very low34.9Very low152 Ų152129.2 Ų129.281%0.81377%0.768SS**  trans-87.5178.2159.4-72.6-12.8000109.8
854P46.3Very low34.7Very low117 Ų117125.6 Ų125.676%0.7676%0.759SS**  cis-129.1-175.3-23.133.9-14000113.6
855A31Very low34Very low88 Ų88127.7 Ų127.773%0.72776%0.764SS**  trans37.6143.8143.800000124.8
856S31.2Very low34Very low111 Ų111126.9 Ų126.978%0.77676%0.76SS**  trans90.8127.6146.9700000122.7
857S32.5Very low33.4Very low112 Ų112128.3 Ų128.378%0.78376%0.761SS**  trans64.7131.4147.450.80000124.4
858D39.6Very low33.5Very low134 Ų134127.2 Ų127.272%0.71776%0.759SS**  trans-21.3155147.1-108.2-49.9000118.2
859P38.8Very low33.6Very low123 Ų123127.2 Ų127.280%0.79976%0.764SS**  -154.8172.873.941.4-21.1000120.3
860F30Very low33.5Very low184 Ų184130 Ų13081%0.80777%0.771SS**  trans-68.6163.7174.3-93.8-110.2000117.2
861S32.7Very low34.5Very low112 Ų112125.7 Ų125.778%0.78376%0.762SS**  trans151.5148.8131.6-1760000112.2
862S39.4Very low34.4Very low95 Ų95129.8 Ų129.866%0.66477%0.77SS**  cis161.8145.6-26.7-84.50000108.3
863T33.2Very low34.5Very low142 Ų142126 Ų12687%0.87176%0.76SS**  trans171.4142.1163.4-77.90000107.9
864G30.4Very low34.7Very low68 Ų68124 Ų12470%0.70176%0.758SS**  cis119.3137.3-4.200000113.6
865D35.4Very low34.1Very low149 Ų149126.9 Ų126.980%0.79776%0.758SS**  cis-166.6144.6-16.8174.839.3000109.2
866N31.4Very low34.1Very low133 Ų133128.8 Ų128.871%0.71176%0.756SS**  trans-169.5118.9165.9-123.9-113.2000117.1
867L36.4Very low34.1Very low133 Ų133130 Ų13070%0.69675%0.754SS**  trans61.6144142.2-93.760.9000121.2
868E29.8Very low34Very low163 Ų163131.6 Ų131.676%0.76275%0.753SS**  cis-159.9155.21.9-161.5163.4177.900112.4
869S37.2Very low33.5Very low111 Ų111129.7 Ų129.778%0.77676%0.756SS**  trans56.1152.9174.947.70000119.1
870D28.9Very low33Very low153 Ų153127.5 Ų127.582%0.81876%0.756SS**  cis-140.3172.89.3-127.715.4000110.7
871P49.1Very low33.4Very low97 Ų97127.8 Ų127.863%0.6376%0.76SS**  trans-125.7177.9-141.541.2-27.8000119.7
872F29.6Very low34Very low204 Ų204127.7 Ų127.790%0.89576%0.756SS**  trans76.8114.8177.1-68.4-87.8000117.7
873G32.5Very low33.9Very low65 Ų65129.5 Ų129.567%0.6776%0.759SS**  cis148.6153.3-24.600000117.1
874S33.3Very low34.3Very low111 Ų111127.4 Ų127.478%0.77675%0.748SS**  trans72.2148.2153.267.20000120.4
875K33.2Very low34.1Very low176 Ų176132.6 Ų132.677%0.76575%0.751SS**  cis-167.5145-11.4-111.8174.5169.6-179.80112.3
876L31.1Very low33.9Very low129 Ų129129.4 Ų129.468%0.67574%0.74SS**  trans55.9137.3135.7-65.2168.7000124.1
877N32.3Very low34.3Very low136 Ų136127.7 Ų127.773%0.72774%0.739SS**  75.3115.5128.5-71.88.1000124
878N28.8Very low34.3Very low145 Ų145128.8 Ų128.878%0.77574%0.741SS**  62.9108.8111.7-170.492.7000121.1
879A30.9Very low34.7Very low94 Ų94127.7 Ų127.778%0.77774%0.74SS**  trans51.5116.1144.500000120
880G28.2Very low34.4Very low77 Ų77125.9 Ų125.979%0.79474%0.739SS**  trans-174.3104.8164.100000113.2
881E37.9Very low34.5Very low191 Ų191122.6 Ų122.689%0.89374%0.741SS**  trans-69.3160.8138.3-88.5-166.6141.100108.6
882P44.4Very low34.1Very low109 Ų109123.2 Ų123.271%0.70875%0.748SS**  cis-133.1178.820.241.1-24.6000116.3
883D38.1Very low34.5Very low133 Ų133119 Ų11971%0.71174%0.735SS**  trans-49.5141.8152.3168.753.4000111.3F885D883-F885 PolarHBondContact OD1-N 3.31Å
884P40.7Very low34.9Very low99 Ų99120.8 Ų120.864%0.64374%0.735SS**  -146.4129.511834-17000116
885F26.5Very low34.7Very low176 Ų176123.3 Ų123.377%0.77273%0.732SS**  trans78.5101.7137.7-89.6-110.2000120.4D883D883-F885 PolarHBondContact OD1-N 3.31Å
886S31.5Very low34.7Very low82 Ų82120 Ų12057%0.57373%0.731SS**  75.1119.297.9171.70000121.3
887S39.1Very low34.8Very low98 Ų98118.2 Ų118.269%0.68573%0.729SS**  trans73.1163.1136.3-60.50000117.8
888Q38.1Very low34.9Very low156 Ų156116.6 Ų116.673%0.72973%0.729SS**  cis-150.9173.7-1.5-126.4167.2-8800106
889D36.5Very low35Very low139 Ų139114.6 Ų114.674%0.74373%0.726SS**  cis-138.8168.78.4-91.9-63.1000107
890G31.5Very low34.9Very low73 Ų73116.3 Ų116.375%0.75373%0.727SS**  cis159.81200.300000108.8
891G31.9Very low35Very low85 Ų85117.2 Ų117.288%0.87672%0.721SS**  trans-167.1101.7-171.800000112.3
892S39.2Very low34.7Very low110 Ų110113 Ų11377%0.76971%0.713SS**  trans-73.4130.3-171.652.60000114.7
893D37.9Very low33.9Very low115 Ų115114.5 Ų114.562%0.61572%0.715SS**  trans-64.4149138.7174.156.8000109.4F895D893-F895 PolarHBondContact OD1-N 3.13Å; D893-F895 VanDerWaalsContact OD1-N 3.14Å; D893-F895 VanDerWaalsContact OD2-CD2 3.32Å; D893-F895 WeakPolarHBondContact OD2-CD2 3.32Å; D893-F895 PolarHBondContact OD2-N 2.68Å
894P42.4Very low33.7Very low103 Ų103115.5 Ų115.567%0.66972%0.719SS**  -143.8114.3122.332.7-16000115.9
895F29Very low33.3Very low164 Ų164114.9 Ų114.972%0.71972%0.722SS**  trans40.3120.2132.9-69.1-87.5000118.6D893D893-F895 PolarHBondContact OD1-N 3.13Å; D893-F895 VanDerWaalsContact OD1-N 3.14Å; D893-F895 VanDerWaalsContact OD2-CD2 3.32Å; D893-F895 WeakPolarHBondContact OD2-CD2 3.32Å; D893-F895 PolarHBondContact OD2-N 2.68Å
896S33.6Very low33.5Very low105 Ų105113 Ų11373%0.73473%0.725SS**  -172.5150.776.7-75.90000111.9
897S31.6Very low33.5Very low93 Ų93117 Ų11765%0.6573%0.732SS**  cis72.9162.431105.50000113.7
898S34.4Very low33.1Very low102 Ų102118.5 Ų118.571%0.71373%0.732SS**  cis-156.9-178.8-14.166.10000106.6
899S30.9Very low32.8Very low102 Ų102117 Ų11771%0.71374%0.739SS**  cis-133.2-1573.7-74.90000107.2
900T28.9Very low32.6Very low131 Ų131114.9 Ų114.980%0.80474%0.741SS**  cis-144.7154.612.7410000108.7
901S30.1Very low33.3Very low95 Ų95117 Ų11766%0.66474%0.742SS**  cis91.3116.131.3-168.30000115.4
902S31.9Very low33.3Very low103 Ų103118.6 Ų118.672%0.7274%0.739SS**  trans64140.1148.254.20000119
903D28.6Very low33.2Very low141 Ų141120.8 Ų120.875%0.75474%0.742SS**  cis-163.6171.73.8-144.7-29.3000113
904L32.6Very low33.4Very low153 Ų153121.1 Ų121.180%0.80174%0.744SS**  trans65.5126.7155.1-63.2-177.2000123
905A32.1Very low33.3Very low86 Ų86121.8 Ų121.871%0.71175%0.748SS**  108.8110.9127.500000121.6
906V31.9Very low33.7Very low136 Ų136122.9 Ų122.982%0.82475%0.753SS**  trans7796.4130.3179.30000118.4
907K32Very low34.1Very low167 Ų167122.1 Ų122.173%0.72675%0.753SS**  117.7131.3113.7-174.7172.5173.7178.10119.9
908D30.6Very low34.7Very low129 Ų129124 Ų12469%0.6976%0.764SS**  trans67.4152158.4-67.1-5.5000121.8
909S31.1Very low34.7Very low125 Ų125123.1 Ų123.187%0.87477%0.77SS**  trans83.7129.3165-58.40000119.6
910A31.6Very low34.8Very low94 Ų94121.8 Ų121.878%0.77777%0.773SS**  trans-117.1-167.1170.100000107.1
911P46.2Very low34.9Very low119 Ų119121.8 Ų121.877%0.77377%0.773SS**  cis-131.6179-5.541.8-25.5000114.5
912S33Very low34.9Very low117 Ų117123.3 Ų123.382%0.81878%0.778SS**  trans-132.5123.5152.6179.40000107.5
913N36.4Very low34.8Very low157 Ų157125 Ų12584%0.8478%0.784SS**  trans-154.5127.8171.7-105-28.9000111.8
914D42.5Very low34.8Very low122 Ų122122.8 Ų122.865%0.65278%0.779SS**  trans-43.4135.1165.8-178.3-7.8000113.8F916D914-F916 PolarHBondContact OD1-N 2.88Å
915P39.9Very low34.9Very low117 Ų117121.8 Ų121.876%0.7678%0.78SS**SBendtrans-84.8-5.5178.234.8-36.6000115.7A917P915-A917 VanDerWaalsContact C-N 3.34Å; P915-A917 PolarHBondContact O-N 2.85Å
916F38.4Very low34.8Very low186 Ų186124.3 Ų124.382%0.81679%0.786SS**  trans-86.951.3-170.3-82.1-80.2000115.6D914D914-F916 PolarHBondContact OD1-N 2.88Å
917A40.3Very low35Very low89 Ų89122.5 Ų122.574%0.73678%0.78SS**  trans-119.5111.1176.200000112.9P915P915-A917 VanDerWaalsContact C-N 3.34Å; P915-A917 PolarHBondContact O-N 2.85Å
918P45.7Very low35.1Very low134 Ų134121.8 Ų121.887%0.8778%0.784SS**  trans-90.9128.4-17933.5-32.7000113.4
919G34.1Very low35.8Very low82 Ų82121.2 Ų121.285%0.84579%0.787SS**  trans163.5144.2170.300000112
920G33.1Very low35.8Very low75 Ų75122.6 Ų122.677%0.77379%0.785SS**  trans-152.6143.2-176.700000115.2
921T31.1Very low36.4Very low131 Ų131122.8 Ų122.880%0.80478%0.778SS**  trans-160.3135.3165.634.60000109.8
922T30.4Very low35.7Very low126 Ų126126.3 Ų126.377%0.77378%0.782SS**  trans24.6141.2144.864.60000120.2
923V28.7Very low36.1Very low139 Ų139125.9 Ų125.984%0.84279%0.785SS**  -159.2168.157.7172.30000111
924S28.2Very low36.1Very low95 Ų95122 Ų12266%0.66478%0.775SS**  trans-74.5143.8-169.7-38.90000119.6
925T34.8Very low35.8Very low131 Ų131120.7 Ų120.780%0.80478%0.781SS**  trans53117.4134.358.80000123.1
926T30.2Very low35.5Very low139 Ų139124.2 Ų124.285%0.85379%0.785SS**  -157.7116.1127.744.50000112.9
927S35.8Very low35.4Very low98 Ų98118.7 Ų118.769%0.68578%0.78SS**  trans15.9120.3152.357.80000123
928D34.1Very low35.2Very low153 Ų153120.4 Ų120.482%0.81878%0.777SS**  trans61.3154.4130.3-59-39.8000122.8
929P46.1Very low34.9Very low116 Ų116121.1 Ų121.175%0.75377%0.768SS**  cis-136.3153.8-38.637.6-22.6000113.5
930D30.9Very low34.9Very low155 Ų155122 Ų12283%0.82976%0.758SS**  trans-98.8137.8179.4-16148.8000112.7
931P43.7Very low34.8Very low97 Ų97128.2 Ų128.263%0.6376%0.764SS**  trans-111.330.1-145.743.1-38.1000117.5
932F32.4Very low34.8Very low193 Ų193125.3 Ų125.385%0.84676%0.76SS**  trans-114.82.9-176-86.9-78.5000117.8A934F932-A934 PolarHBondContact O-N 3.27Å
933A40.5Very low34.9Very low109 Ų109123.2 Ų123.290%0.90176%0.764SS**  trans-8242.5177.400000114.5
934A38.3Very low35.1Very low75 Ų75120.6 Ų120.662%0.6276%0.764SS**  trans-152.574.2-173.400000116.7F932F932-A934 PolarHBondContact O-N 3.27Å
935A35.2Very low35.1Very low94 Ų94125.9 Ų125.978%0.77778%0.776SS**  trans-153.483.6152.600000110
936F34.7Very low35.4Very low192 Ų192122.6 Ų122.684%0.84276%0.762SS**  60.2122.896.9-68.1-59.7000113.7
937G34.7Very low35.6Very low69 Ų69122.4 Ų122.471%0.71176%0.755SS**  cis-176.7-169.34.800000108.9
938N36.6Very low35.3Very low125 Ų125126.2 Ų126.267%0.66876%0.76SS**  cis-168.6164.6-6.5-104.329.5000104.8
939E38.9Very low35.3Very low149 Ų149124.1 Ų124.170%0.69676%0.758SS**  cis-169.4175.510-133.1-179.4-9700112.3
940T34.1Very low34.8Very low101 Ų101122.5 Ų122.562%0.6275%0.754SS**  trans48.5115.7137.3-62.10000120.2
941F32.6Very low34.9Very low205 Ų205123.4 Ų123.490%0.89976%0.758SS**  -167.2145.454.9-159.4-77.6000111.1
942G30.9Very low34.2Very low71 Ų71125 Ų12573%0.73277%0.766SS**  trans160118.6169.700000113.9
943G31.7Very low34.2Very low82 Ų82124.9 Ų124.985%0.84577%0.765SS**  trans-84.6150.5177.600000112.8
944G33.3Very low34Very low83 Ų83124.8 Ų124.886%0.85676%0.758SS**  trans-92.3170.9-177.100000115.3
945F28.4Very low33.6Very low207 Ų207129.1 Ų129.191%0.90877%0.771SS**  trans-135.6148.7159.8-168.2-98.7000108.3
946A39.8Very low33.6Very low61 Ų61127.7 Ų127.750%0.50477%0.765SS.*  trans-103.6142.8-170.300000112.8F948A946-F948 HydrophobicContact CB-CE2 4.38Å
947D34.1Very low34.4Very low135 Ų135124.4 Ų124.472%0.72276%0.763SS**  trans-69.7143.4168.4-170.9-15.5000110.3S949D947-S949 PolarHBondContact OD1-N 3.13Å; D947-S949 VanDerWaalsContact OD1-N 3.13Å; D947-S949 PolarHBondContact OD1-OG 3.19Å
948F30Very low34.2Very low178 Ų178127.5 Ų127.578%0.78176%0.763SS**  trans-131.132.6-173.5-101.1-75.9000113.9A946 A950A946-F948 HydrophobicContact CB-CE2 4.38Å; F948-A950 PolarHBondContact O-N 3.47Å
949S34.9Very low34Very low110 Ų110128.1 Ų128.177%0.76976%0.762SS**  trans-76.153.1177.6-580000114.3D947D947-S949 PolarHBondContact OD1-N 3.13Å; D947-S949 VanDerWaalsContact OD1-N 3.13Å; D947-S949 PolarHBondContact OD1-OG 3.19Å
950A35.2Very low33.4Very low82 Ų82130.6 Ų130.668%0.67877%0.771SS**  trans-147.639.4-165.900000118.6F948F948-A950 PolarHBondContact O-N 3.47Å
951L31.8Very low33.1Very low174 Ų174128.9 Ų128.991%0.91177%0.774SS**  trans-140.7101.6166.2-78.1-178.9000114
952T30.3Very low33Very low130 Ų130126.7 Ų126.780%0.79877%0.77SS**  trans-143.9158.416158.90000110.6
953K32.8Very low33Very low191 Ų191129.2 Ų129.283%0.8377%0.766SS**  trans78.7103.6-174.6-57169.8-177.6170.80113.2
954S34.7Very low32.8Very low107 Ų107130.1 Ų130.175%0.74875%0.752SS**  79.9142.179.175.60000113.5
955N31.3Very low32.8Very low166 Ų166133.7 Ų133.789%0.88874%0.743SS**  cis-155.6177.919.7-145.51.4000112.5
956G34.2Very low32.9Very low64 Ų64131.1 Ų131.166%0.6674%0.739SS**  trans-76.1-160.3176.700000115.7
957P51.1Low32.4Very low122 Ų122135.5 Ų135.579%0.79275%0.753SS**  cis-147.9-179.236.343.2-23.4000119
958D32.4Very low32.2Very low135 Ų135137.5 Ų137.572%0.72276%0.756SS**  trans67.5153.6149.3-100.7-28.7000120.7
959Q31.6Very low32.1Very low138 Ų138137.5 Ų137.565%0.64576%0.758SS**  cis-158152.7-6.2-166.9159.296.900111
960F26.3Very low31.7Very low200 Ų200139.5 Ų139.588%0.87776%0.756SS**  trans146.7142.4143.5-88-66.8000113.1
961G27.1Very low31.3Very low66 Ų66142.7 Ų142.768%0.6876%0.761SS**  trans-161.2168.5171.900000111.7
962I31.2Very low31.3Very low159 Ų159139.6 Ų139.682%0.81575%0.754SS**  trans-160.6126.8177.4-108.8151.7000113.3
963N29.8Very low31.4Very low123 Ų123142.2 Ų142.266%0.65876%0.758SS**  trans59.1109.8147.5-69.7-32.5000125.2
964N29.3Very low32Very low101 Ų101138.7 Ų138.754%0.5475%0.754SS.*  99.4113.9105-73.3-25.8000124.7
965K33.1Very low31.9Very low158 Ų158137.5 Ų137.569%0.68775%0.751SS**  68.3117.4121.5-59.7166.2-176.4157.40121
966N29.2Very low31.7Very low154 Ų154137.1 Ų137.182%0.82475%0.749SS**  173.8159.992.7-93.6-56.1000115.7
967L31.1Very low31.5Very low152 Ų152139.1 Ų139.180%0.79675%0.752SS**  trans80.986.8146.6-143.466.7000123.3
968F27.8Very low30.4Very low178 Ų178141.1 Ų141.178%0.78176%0.756SS**  56.1150.1121.9-99.9-85.6000125.7
969Q28.5Very low30.4Very low177 Ų177140.8 Ų140.883%0.82776%0.759SS**  trans9098158.9-152.3143.460.100115.6
970E27.1Very low31Very low152 Ų152140 Ų14071%0.7177%0.766SS**  cis76.510143.1-161.9179.7134.100113.5
971D26.2Very low32.3Very low149 Ų149136.5 Ų136.580%0.79776%0.764SS**  -166.3-177.7109.3-142.5-31.1000112
972S31.8Very low32.5Very low109 Ų109138.5 Ų138.576%0.76277%0.773SS**  trans-124167.7-158.1-53.70000117.2
973Q32.9Very low32.6Very low186 Ų186139.1 Ų139.187%0.86978%0.777SS**  trans-63.1167.2166.6-88.6-172.3-14.100113
974P45.2Very low33.9Very low117 Ų117138.4 Ų138.476%0.7678%0.779SS**  cis-162.6169.749.345.6-22.6000123.3
975A32.3Very low34.5Very low82 Ų82139.8 Ų139.868%0.67879%0.794SS**  trans79.8135133.500000127.3
976N28.3Very low34.5Very low157 Ų157141.4 Ų141.484%0.8480%0.801SS**  trans76.2119142.9-62.2-11.2000124.2
977S28.5Very low34.8Very low106 Ų106141.4 Ų141.474%0.74181%0.807SS**  169.4131.392.566.60000116.5
978D28.4Very low34.7Very low164 Ų164137.9 Ų137.988%0.87781%0.807SS**  trans53.1162.2147.3-75.7-66000125.5
979V33.9Very low35.1Very low128 Ų128136.1 Ų136.178%0.77681%0.811SS**  trans-149.9129.2-163.9165.60000110.9
980P43.5Very low35.9Very low122 Ų122133 Ų13379%0.79281%0.806SS**  -155.2165105.439.5-21000117.6
981P52.8Low36.1Very low127 Ų127132.9 Ų132.983%0.82582%0.816SS**  trans-93.8162.517637.1-35.6000115.1
982A31.1Very low36.4Very low107 Ų107136.5 Ų136.588%0.88482%0.819SS**  trans-147.2170177.700000114.3
983L34.9Very low37.4Very low172 Ų172135.6 Ų135.690%0.90181%0.81SS**PPolyproline II helixtrans-100.6168.8-159.1-78.9169.6000116.3
984P56.7Low37.6Very low108 Ų108132.6 Ų132.670%0.70181%0.807SS**PPolyproline II helixtrans-102.4170.8-163.740.2-37.8000116.2
985P41.4Very low37.3Very low130 Ų130132.6 Ų132.684%0.84481%0.807SS**PPolyproline II helixtrans-91.4155.5170.735.9-33.4000114.2
986K33.2Very low38.3Very low192 Ų192134.7 Ų134.784%0.83581%0.813SS**  trans-112.6163174.5-60.4173.1179.51750110.9
987T34.7Very low39.2Very low155 Ų155133 Ų13395%0.95181%0.811SS**  154.1151.812843.40000113.1
988G29.3Very low39.9Very low78 Ų78134 Ų13480%0.80482%0.815SS**  trans139.384.6161.700000118.6
989T35.9Very low40Very low140 Ų140129 Ų12986%0.85980%0.803SS**  trans-142.6176.5160.760.80000108
990P46.3Very low39.7Very low112 Ų112132.3 Ų132.373%0.72781%0.807SS**  cis-134.4-179.5-3.943.3-27.7000115
991T30.5Very low38.9Very low150 Ų150137.4 Ų137.492%0.9281%0.81SS**  trans-168.6163.7144.65.60000114.5
992R32.8Very low37.7Very low225 Ų225135.6 Ų135.685%0.84981%0.806SS**  trans-170.2170.5-169.8-167.9-123.4-176.8-173.40.9108.9
993P53.1Low37.4Very low90 Ų90135.9 Ų135.958%0.58480%0.801SS**  cis-107.8-163.7-36.337.6-20.5000112.2
994P36.9Very low36.9Very low123 Ų123134 Ų13480%0.79980%0.797SS**  -149.2169.896.439.4-22.4000116.8
995P39.8Very low35.4Very low117 Ų117133.7 Ų133.776%0.7680%0.797SS**  trans-110.5158.9-17739.6-32.7000116.9
996P53Low34.7Very low125 Ų125134.1 Ų134.181%0.81278%0.782SS**  trans-127.9147.1-175.740.5-26.5000118.9
997P47.3Very low34.3Very low122 Ų122127.2 Ų127.279%0.79276%0.756SS**  trans-126.6-165.9166.744.2-31.8000112.6
998P42.8Very low33.8Very low127 Ų127126.1 Ų126.183%0.82574%0.74SS**  cis-134.7-14-4.742.9-27.7000119.5
999G29.8Very low33.6Very low60 Ų60127.6 Ų127.662%0.61974%0.738SS**  trans89.1-145.6175.100000119.5
1000K29.1Very low33.1Very low197 Ų197125.5 Ų125.586%0.85773%0.729SS**  trans106.7139.8-172.1-64.6162.7-172.3171.30114
1001R26.1Very low32Very low228 Ų228126.3 Ų126.386%0.8673%0.727SS**  cis-166.1148.2-5.1-124.3-179.1179.6-161.3-1.3114.1
1002A26.6Very low31.8Very low90 Ų90123 Ų12374%0.74471%0.71SS**  trans67.2159.415000000118.5
1003S24.4Very low31.4Very low112 Ų112119.6 Ų119.678%0.78370%0.702SS**  cis-146.4170.216.2-50.80000115
1004V26.5Very low30.3Very low134 Ų134123.8 Ų123.881%0.81271%0.714SS**  trans-51166.7165-68.30000114.3
1005S25.1Very low29.7Very low100 Ų100126.7 Ų126.770%0.69971%0.709SS**  cis-153.1165.627.8-300000111.3
1006R24.8Very low29Very low139 Ų139131.7 Ų131.753%0.52571%0.712SS.*  cis72.713840.5-107.8-136.4167-162.2-0111.9P228 V229 M230 P231P228-R1006 PolarHBondContact O-NH2 3.45Å; V229-R1006 PolarHBondContact O-NE 3.2Å; V229-R1006 PolarHBondContact O-NH2 2.83Å; M230-R1006 WeakPolarHBondContact O-CD 3.46Å; M230-R1006 WeakPolarHBondContact O-CG 3.45Å; M230-R1006 PolarHBondContact O-NE 3.43Å; P231-R1006 VanDerWaalsContact CG-C 3.4Å; P231-R1006 CarbonylContact O-C 3.6Å; P231-R1006 VanDerWaalsContact O-C 3.27Å; P231-R1006 WeakPolarHBondContact O-CA 3.33Å; P231-R1006 PolarHBondContact O-N 3.01Å
1007T25.8Very low27.7Very low47 Ų47128.9 Ų128.929%0.28871%0.706SS.*  cis-100.6-87.322.8-167.50000129.4M230 P231M230-T1007 CarbonylContact C-O 3.37Å; M230-T1007 WeakPolarHBondContact CA-O 3.3Å; M230-T1007 WeakPolarHBondContact CB-O 3.39Å; M230-T1007 WeakPolarHBondContact O-CA 3.46Å; P231-T1007 WeakPolarHBondContact CA-O 3.48Å; P231-T1007 HydrophobicContact CB-CG2 4.44Å; P231-T1007 HydrophobicContact CG-CG2 3.07Å; P231-T1007 PolarHBondContact O-N 2.81Å
1008E23.1Very low26.8Very low133 Ų133131.6 Ų131.662%0.62171%0.708SS**  trans-96.4155.2-157.9-69.374.1-152.200122P231P231-E1008 VanDerWaalsContact CA-N 3.32Å
1009S25.3Very low25.9Very low109 Ų109134.8 Ų134.876%0.76271%0.709SS**  trans-61.6-162.8148.9-43.40000112.9
1010S26.4Very low25.7Very low96 Ų96137.4 Ų137.467%0.67171%0.708SS**  cis-164.5175.615-148.30000112.4
1011D24Very low25.6Very low129 Ų129135.7 Ų135.769%0.6970%0.703SS**  trans67.9110.4142.9-89.5-85.1000123.7
1012S26.2Very low25.4Very low81 Ų81130.3 Ų130.357%0.56670%0.696SS**  94.2143.7109.7-86.80000124.6
1013F23.4Very low25.4Very low153 Ų153131.9 Ų131.967%0.67170%0.701SS**  trans50.1106146.9-64.7-52.2000120.9
1014Q29.5Very low25.4Very low178 Ų178130.4 Ų130.483%0.83270%0.704SS**  177.3136.798.3-92138.28200109.4
1015R25Very low25.3Very low184 Ų184130.9 Ų130.969%0.69470%0.702SS**  cis96.6107.931.1-170.7-146.2-70.6-94.76112.9
1016R25.8Very low25.3Very low221 Ų221135 Ų13583%0.83471%0.708SS**  trans65.7152171-72.6176.4177.4178.1-2115.8
1017G24.6Very low25.3Very low66 Ų66133 Ų13368%0.6872%0.715SS**  cis172.8166.4-6.900000114.8
1018H27.8Very low25.2Very low179 Ų179135.5 Ų135.583%0.82974%0.735SS**  trans-30.7145.8177.2-42.6-100.2000117.8
1019F24.6Very low25.2Very low194 Ų194134.2 Ų134.285%0.85174%0.74SS**  -147.8177.1116-137.7-103.4000112.8
1020L26.3Very low25.2Very low116 Ų116133.9 Ų133.961%0.60774%0.738SS**  trans-106.6165-161.7-60.983000114.8
1021Q25.7Very low25.2Very low160 Ų160134.3 Ų134.375%0.74874%0.741SS**  96.5143.4128.9-104.2176.1-28.100123
1022T23.4Very low25.3Very low115 Ų115133.6 Ų133.671%0.70675%0.746SS**  trans70.9120.2150.948.20000121.9
1023S25.6Very low25.3Very low123 Ų123134 Ų13486%0.8675%0.749SS**  trans56.6121.6139.461.80000120.7
1024G25.3Very low25.7Very low81 Ų81134.3 Ų134.384%0.83576%0.757SS**  trans178.1116.2163.700000111.6
1025D24.8Very low26.4Very low145 Ų145131.2 Ų131.278%0.77575%0.752SS**  trans-86.2149.9-176.9-96.6-52.5000113.8
1026F23.9Very low26.7Very low185 Ų185126.8 Ų126.881%0.81176%0.755SS**  trans47.1133.6151.7-80-83.1000123.2
1027S24.3Very low27Very low98 Ų98125.9 Ų125.969%0.68576%0.757SS**  trans86106.4137.4-64.30000122.7
1028S24Very low27.1Very low100 Ų100129.9 Ų129.970%0.69976%0.763SS**  63100.1125.2690000122.8
1029S23.2Very low27.6Very low106 Ų106127 Ų12774%0.74176%0.759SS**  78.4150.7121.683.70000122.5
1030S25.3Very low27.9Very low102 Ų102125.7 Ų125.771%0.71376%0.761SS**  trans95.5108.7145.8-55.90000121.8
1031S26.3Very low28.6Very low105 Ų105124.6 Ų124.673%0.73477%0.768SS**  99.4111.7126.775.10000123.3
1032S26.4Very low28.8Very low113 Ų113124.2 Ų124.279%0.7977%0.771SS**  trans72.1157.7138.5810000119.3
1033S27Very low29.5Very low91 Ų91123.2 Ų123.264%0.63677%0.767SS**  cis-161.81339.5-140.20000115.4
1034L31.2Very low29.5Very low158 Ų158127.1 Ų127.183%0.82777%0.769SS**  trans66.6176.4145.3-59.4170.4000119.3
1035P44.8Very low30.1Very low114 Ų114127.8 Ų127.874%0.7477%0.766SS**  -142.6166.8-79.242.6-25.3000117.1
1036A30Very low30.4Very low90 Ų90126.6 Ų126.674%0.74477%0.767SS**  trans172.3130.9135.700000117.8
1037K32.4Very low30.6Very low203 Ų203123.4 Ų123.488%0.88377%0.767SS**  trans69.9152.9143.5-71.8176177.31730123.2
1038D26.5Very low30.9Very low150 Ų150123.9 Ų123.980%0.80277%0.77SS**  trans-62.5170.3-178.4-48.9-87.1000114.7
1039P38.8Very low31.2Very low117 Ų117124.7 Ų124.776%0.7677%0.773SS**  cis-148.9-18021.446.1-26.9000119.7
1040L31Very low31.6Very low168 Ų168125.7 Ų125.788%0.8878%0.777SS**  trans66.9156.3151.7-15065.7000118.4
1041A41.7Very low31.8Very low92 Ų92132.4 Ų132.476%0.7679%0.787SS**  trans-113.6149.618000000111.9
1042D28.6Very low31.9Very low153 Ų153134.9 Ų134.982%0.81879%0.787SS**  trans-136.3134.5171.1-162.437.1000107.8
1043P37.8Very low31.9Very low93 Ų93135.6 Ų135.660%0.60478%0.781SS**  trans-81.8174.8-179.432.8-33.6000112.5
1044F27.1Very low31.9Very low206 Ų206136.9 Ų136.990%0.90479%0.785SS**  trans75.930.1-179.6-61.7-82.2000117.6
1045A37.4Very low31.9Very low95 Ų95140 Ų14079%0.78579%0.786SS**  trans-99.4126.5132.500000108.5
1046P30.6Very low31.3Very low120 Ų120143.8 Ų143.878%0.77979%0.794SS**  -146.5143.1125.535.9-21.3000114.9
1047S28.1Very low31.2Very low117 Ų117144.4 Ų144.482%0.81880%0.799SS**  trans-130.181147.366.50000109.7
1048S31.4Very low31.4Very low108 Ų108142.5 Ų142.576%0.75580%0.798SS**  trans52.9121.7154-51.50000121.3
1049P30.2Very low31.9Very low118 Ų118146.5 Ų146.577%0.76680%0.802SS**  trans-79.2164.3150.935.7-33.3000111.5
1050P31.6Very low31.4Very low127 Ų127151.1 Ų151.183%0.82581%0.811SS**  trans-84.9153.5-17733-35.6000115.6
1051R29.7Very low31.6Very low242 Ų242147.8 Ų147.891%0.91381%0.807SS**  trans-9139.9164.8-63.6-178.5169.2-172.7-5.5119.5
1052H27.3Very low30.9Very low158 Ų158148.5 Ų148.573%0.73181%0.807SS**  -169.2122.698.6-160.1-117.8000113.6
1053N26.9Very low31.1Very low127 Ų127149.5 Ų149.568%0.67980%0.804SS**  trans57152.4153.8-69.616000120.6
1054V27.8Very low31.1Very low118 Ų118152 Ų15272%0.71581%0.813SS**  cis-151.9162.70.599.80000111.5
1055R31.3Very low32.1Very low224 Ų224150.9 Ų150.985%0.84581%0.807SS**  trans52.8102.4167.2-81.9-179.7174.1161.4-1.4118.5
1056E31Very low32.4Very low194 Ų194155.3 Ų155.391%0.90781%0.805SS**  172.4113.8104.2-96.5175.8-166.500109.2
1057A27.6Very low33.6Very low102 Ų102154 Ų15484%0.84380%0.797SS**  trans-157.879.5-176.200000111.2
1058D37Very low36.1Very low163 Ų163152.2 Ų152.287%0.87278%0.781SS**  trans-130.8138.6173-114.7-50.5000110.5
1059R38.1Very low38Very low234 Ų234154.8 Ų154.888%0.88378%0.781SS**  trans76.587.3-165.5-52.7177.6179.7173.51.3116.8
1060F28.3Very low40Very low214 Ų214154.9 Ų154.994%0.93977%0.771SS**  trans-158.5145.3132.6-107.8-71.6000110.4
1061A34.4Very low42.3Very low98 Ų98152.9 Ų152.981%0.8175%0.753SS**  trans59.498.3174.200000118
1062S26.7Very low44.4Very low107 Ų107147.3 Ų147.375%0.74874%0.739SS**  trans-70.2152150.3-56.30000110.1D1064S1062-D1064 WeakPolarHBondContact CB-OD2 3.22Å
1063F32.7Very low47Very low175 Ų175144.1 Ų144.177%0.76873%0.727SS**SBendtrans-91.6-8.7-171.3-165.5-108.9000114K1065F1063-K1065 PolarHBondContact O-N 2.99Å
1064D37.6Very low49.8Very low146 Ų146143.3 Ų143.378%0.78172%0.719SS**  trans-7955-168.8-36-84.4000112.6S1062S1062-D1064 WeakPolarHBondContact CB-OD2 3.22Å
1065K47.9Very low52.8Low182 Ų182145.6 Ų145.679%0.79171%0.714SS**  trans-1389.6-170.3-146.168.9-172170.40116.2F1063F1063-K1065 PolarHBondContact O-N 2.99Å
1066Y43.5Very low55.2Low188 Ų188137.3 Ų137.374%0.73769%0.694SS**SBendtrans-115.4134169.4-64.9-78000109
1067P57.8Low58.1Low93 Ų93135.2 Ų135.260%0.60468%0.682SS**  trans-54.1139.8163.9-21.333000109.3D1071 M1072P1067-D1071 HydrophobicContact CB-CB 3.94Å; P1067-M1072 HydrophobicContact CB-CG 4.45Å
1068T78.6Confident61.1Low78 Ų78137.8 Ų137.848%0.47967%0.67SS.*  trans-70.3165.8174.4660000110.6E1070 D1071 M1072T1068-E1070 PolarHBondContact O-N 3.4Å; T1068-D1071 WeakPolarHBondContact CB-OD2 3.32Å; T1068-D1071 PolarHBondContact N-OD2 3.34Å; T1068-D1071 PolarHBondContact O-N 2.83Å; T1068-D1071 VanDerWaalsContact OG1-CG 3.25Å; T1068-D1071 PolarHBondContact OG1-N 2.79Å; T1068-D1071 VanDerWaalsContact OG1-N 3.13Å; T1068-D1071 PolarHBondContact OG1-OD2 3.32Å; T1068-M1072 PolarHBondContact O-N 2.78Å; T1068-M1072 VanDerWaalsContact O-N 3.16Å
1069E71.9Confident63.7Low162 Ų162133.1 Ų133.176%0.75764%0.643SS**Hα-helixtrans-60.5-33.6173.5-168.6164.4-17300111M1072 I1073E1069-M1072 PolarHBondContact O-N 3.48Å; E1069-I1073 HydrophobicContact CG-CD1 4.17Å; E1069-I1073 WeakPolarHBondContact O-CD1 3.36Å; E1069-I1073 VanDerWaalsContact O-CG1 3.26Å; E1069-I1073 WeakPolarHBondContact O-CG1 3.06Å; E1069-I1073 PolarHBondContact O-N 3.28Å
1070E72.1Confident66.1Low121 Ų121125.4 Ų125.457%0.56563%0.625SS**Hα-helixtrans-65.4-46.9173.5-155.667.6-13100111.9T1068 M1072 I1073 E1074T1068-E1070 PolarHBondContact O-N 3.4Å; E1070-M1072 PolarHBondContact O-N 3.19Å; E1070-I1073 PolarHBondContact O-N 2.93Å; E1070-E1074 PolarHBondContact O-N 2.83Å
1071D80.6Confident69.3Low85 Ų85121.3 Ų121.346%0.45561%0.609SS.*Hα-helixtrans-56.3-37.5175.8-65.2-65.8000111.8P1067 T1068 W1075P1067-D1071 HydrophobicContact CB-CB 3.94Å; T1068-D1071 WeakPolarHBondContact CB-OD2 3.32Å; T1068-D1071 PolarHBondContact N-OD2 3.34Å; T1068-D1071 PolarHBondContact O-N 2.83Å; T1068-D1071 VanDerWaalsContact OG1-CG 3.25Å; T1068-D1071 PolarHBondContact OG1-N 2.79Å; T1068-D1071 VanDerWaalsContact OG1-N 3.13Å; T1068-D1071 PolarHBondContact OG1-OD2 3.32Å; D1071-W1075 VanDerWaalsContact O-CB 3.26Å; D1071-W1075 WeakPolarHBondContact O-CB 3.47Å; D1071-W1075 PolarHBondContact O-N 2.95Å
1072M73.8Confident72Confident125 Ų125122 Ų12262%0.61659%0.59SS**Hα-helixtrans-71.7-36.1176.9-71.5-174.85600112.7P1067 T1068 E1069 E1070 A1076P1067-M1072 HydrophobicContact CB-CG 4.45Å; T1068-M1072 PolarHBondContact O-N 2.78Å; T1068-M1072 VanDerWaalsContact O-N 3.16Å; E1069-M1072 PolarHBondContact O-N 3.48Å; E1070-M1072 PolarHBondContact O-N 3.19Å; M1072-A1076 WeakPolarHBondContact O-CB 3.44Å; M1072-A1076 PolarHBondContact O-N 3.3Å
1073I82.3Confident75.1Confident91 Ų91123.7 Ų123.747%0.46759%0.586SS.*Hα-helixtrans-71.1-44.6176.3-70.5163.8000110.6E1069 E1070 A1076 K1077E1069-I1073 HydrophobicContact CG-CD1 4.17Å; E1069-I1073 WeakPolarHBondContact O-CD1 3.36Å; E1069-I1073 VanDerWaalsContact O-CG1 3.26Å; E1069-I1073 WeakPolarHBondContact O-CG1 3.06Å; E1069-I1073 PolarHBondContact O-N 3.28Å; E1070-I1073 PolarHBondContact O-N 2.93Å; I1073-A1076 PolarHBondContact O-N 2.77Å; I1073-K1077 WeakPolarHBondContact O-CB 3.31Å; I1073-K1077 PolarHBondContact O-N 3.41Å
1074E86Confident77.8Confident110 Ų110121.5 Ų121.551%0.51458%0.578SS.*Hα-helixtrans-61.7-43.1174-72.5-141.7148.400111.9E1070 K1077 R1078E1070-E1074 PolarHBondContact O-N 2.83Å; E1074-K1077 PolarHBondContact O-N 3.08Å; E1074-R1078 VanDerWaalsContact O-CB 3.28Å; E1074-R1078 WeakPolarHBondContact O-CB 3.4Å; E1074-R1078 PolarHBondContact O-N 3.21Å
1075W89Confident80.4Confident165 Ų165122.2 Ų122.263%0.62558%0.575SS**Hα-helixtrans-60.1-49.5174.618082.1000111.3D1071 K1077 R1078 E1079D1071-W1075 VanDerWaalsContact O-CB 3.26Å; D1071-W1075 WeakPolarHBondContact O-CB 3.47Å; D1071-W1075 PolarHBondContact O-N 2.95Å; W1075-K1077 VanDerWaalsContact C-N 3.32Å; W1075-K1077 PolarHBondContact O-N 3.07Å; W1075-R1078 CarbonylContact O-C 3.59Å; W1075-R1078 PolarHBondContact O-N 3.45Å; W1075-E1079 HydrophobicContact CH2-CG 4.14Å; W1075-E1079 HydrophobicContact CZ2-CB 4.49Å; W1075-E1079 HydrophobicContact CZ2-CG 4.09Å; W1075-E1079 WeakPolarHBondContact O-CB 3.47Å; W1075-E1079 PolarHBondContact O-N 3.45Å
1076A82.9Confident82.6Confident51 Ų51118.3 Ų118.342%0.42156%0.559SS.*Hα-helixtrans-61.1-39.5179.600000112.4M1072 I1073 E1079 S1080M1072-A1076 WeakPolarHBondContact O-CB 3.44Å; M1072-A1076 PolarHBondContact O-N 3.3Å; I1073-A1076 PolarHBondContact O-N 2.77Å; A1076-E1079 PolarHBondContact O-N 2.88Å; A1076-S1080 WeakPolarHBondContact O-CB 3.43Å; A1076-S1080 PolarHBondContact O-N 3.21Å
1077K91.7Very high85Confident149 Ų149118.4 Ų118.465%0.64856%0.558SS**Hα-helixtrans-63.3-46.8174.4-177-178.9176-172.70111.8I1073 E1074 W1075 E1079 S1080 E1081I1073-K1077 WeakPolarHBondContact O-CB 3.31Å; I1073-K1077 PolarHBondContact O-N 3.41Å; E1074-K1077 PolarHBondContact O-N 3.08Å; W1075-K1077 VanDerWaalsContact C-N 3.32Å; W1075-K1077 PolarHBondContact O-N 3.07Å; K1077-E1079 VanDerWaalsContact C-N 3.25Å; K1077-E1079 PolarHBondContact O-N 3.28Å; K1077-S1080 PolarHBondContact O-N 2.93Å; K1077-E1081 WeakPolarHBondContact O-CB 3.29Å; K1077-E1081 PolarHBondContact O-N 3.03Å
1078R90.3Very high86.8Confident156 Ų156119 Ų11959%0.58956%0.556SS**Hα-helixtrans-71.2-17.6178.6-158.8-176.9-138.898.73.9113.5E1074 W1075 R1082E1074-R1078 VanDerWaalsContact O-CB 3.28Å; E1074-R1078 WeakPolarHBondContact O-CB 3.4Å; E1074-R1078 PolarHBondContact O-N 3.21Å; W1075-R1078 CarbonylContact O-C 3.59Å; W1075-R1078 PolarHBondContact O-N 3.45Å; R1078-R1082 PolarHBondContact O-NH2 3.46Å
1079E90.9Very high87.5Confident66 Ų66118 Ų11831%0.30856%0.556SS.*Hα-helixtrans-80.5-49.5169.3-15463.5-146.200110.2W1075 A1076 K1077 E1081 R1082 E1083W1075-E1079 HydrophobicContact CH2-CG 4.14Å; W1075-E1079 HydrophobicContact CZ2-CB 4.49Å; W1075-E1079 HydrophobicContact CZ2-CG 4.09Å; W1075-E1079 WeakPolarHBondContact O-CB 3.47Å; W1075-E1079 PolarHBondContact O-N 3.45Å; A1076-E1079 PolarHBondContact O-N 2.88Å; K1077-E1079 VanDerWaalsContact C-N 3.25Å; K1077-E1079 PolarHBondContact O-N 3.28Å; E1079-E1081 PolarHBondContact O-N 2.89Å; E1079-R1082 WeakPolarHBondContact O-CB 3.49Å; E1079-R1082 PolarHBondContact O-N 3.09Å; E1079-R1082 IonicContact OE1-CZ 2.68Å; E1079-R1082 IonicContact OE1-NH1 2.92Å; E1079-R1082 PolarHBondContact OE1-NH1 2.93Å; E1079-R1082 IonicContact OE1-NH2 3.16Å; E1079-R1082 IonicContact OE2-CZ 2.62Å; E1079-R1082 IonicContact OE2-NH1 2.63Å; E1079-R1082 PolarHBondContact OE2-NH1 3.23Å; E1079-R1082 IonicContact OE2-NH2 3.38Å; E1079-R1082 PolarHBondContact OE2-NH2 3.27Å; E1079-E1083 PolarHBondContact O-N 2.92Å
1080S89.9Confident88.6Confident72 Ų72117.3 Ų117.350%0.50355%0.546SS..Hα-helixtrans-58.4-46178-169.90000113.1A1076 K1077 R1082 E1083 E1084A1076-S1080 WeakPolarHBondContact O-CB 3.43Å; A1076-S1080 PolarHBondContact O-N 3.21Å; K1077-S1080 PolarHBondContact O-N 2.93Å; S1080-R1082 PolarHBondContact O-N 3.06Å; S1080-E1083 PolarHBondContact O-N 2.97Å; S1080-E1084 WeakPolarHBondContact O-CB 3.19Å; S1080-E1084 PolarHBondContact O-N 3.45Å
1081E93.8Very high89.7Confident127 Ų127116.6 Ų116.659%0.59355%0.546SS*.Hα-helixtrans-60.5-31.4176.6-177.6-179.5-170.300112K1077 E1079 K1085K1077-E1081 WeakPolarHBondContact O-CB 3.29Å; K1077-E1081 PolarHBondContact O-N 3.03Å; E1079-E1081 PolarHBondContact O-N 2.89Å; E1081-K1085 WeakPolarHBondContact O-CB 3.06Å; E1081-K1085 PolarHBondContact O-N 3.4Å
1082R91.1Very high90.3Very high114 Ų114116.2 Ų116.243%0.4355%0.546SS..Hα-helixtrans-80.6-39.7179.3-161.2-168.8-42.1127.123.5112.2R1078 E1079 S1080 E1084 K1085 E1086R1078-R1082 PolarHBondContact O-NH2 3.46Å; E1079-R1082 WeakPolarHBondContact O-CB 3.49Å; E1079-R1082 PolarHBondContact O-N 3.09Å; E1079-R1082 IonicContact OE1-CZ 2.68Å; E1079-R1082 IonicContact OE1-NH1 2.92Å; E1079-R1082 PolarHBondContact OE1-NH1 2.93Å; E1079-R1082 IonicContact OE1-NH2 3.16Å; E1079-R1082 IonicContact OE2-CZ 2.62Å; E1079-R1082 IonicContact OE2-NH1 2.63Å; E1079-R1082 PolarHBondContact OE2-NH1 3.23Å; E1079-R1082 IonicContact OE2-NH2 3.38Å; E1079-R1082 PolarHBondContact OE2-NH2 3.27Å; S1080-R1082 PolarHBondContact O-N 3.06Å; R1082-E1084 VanDerWaalsContact C-N 3.32Å; R1082-K1085 PolarHBondContact O-N 3.44Å; R1082-E1086 WeakPolarHBondContact O-CB 3.15Å; R1082-E1086 PolarHBondContact O-N 2.92Å
1083E92.4Very high91.3Very high142 Ų142115.5 Ų115.566%0.66454%0.542SS*.Hα-helixtrans-63.4-40.3173.1-175173.9-163.800110.8E1079 S1080 E1086 R1087E1079-E1083 PolarHBondContact O-N 2.92Å; S1080-E1083 PolarHBondContact O-N 2.97Å; E1083-E1086 PolarHBondContact O-N 3.45Å; E1083-R1087 VanDerWaalsContact O-CB 3.29Å; E1083-R1087 WeakPolarHBondContact O-CB 3.39Å; E1083-R1087 PolarHBondContact O-N 2.73Å
1084E89.3Confident91.8Very high128 Ų128116.3 Ų116.360%0.59854%0.543SS*.Hα-helixtrans-63.5-44.8173.1-175.9161.9-133.300112S1080 R1082 E1086 R1087 L1088S1080-E1084 WeakPolarHBondContact O-CB 3.19Å; S1080-E1084 PolarHBondContact O-N 3.45Å; R1082-E1084 VanDerWaalsContact C-N 3.32Å; E1084-E1086 PolarHBondContact O-N 3.38Å; E1084-R1087 WeakPolarHBondContact O-CB 3.5Å; E1084-R1087 PolarHBondContact O-N 3.49Å; E1084-L1088 PolarHBondContact O-N 2.82Å
1085K93Very high92.3Very high162 Ų162117.3 Ų117.370%0.70455%0.548SS*.Hα-helixtrans-65-37.6175.7-172.4163.6-173.9161.50113.3E1081 R1082 L1088 A1089E1081-K1085 WeakPolarHBondContact O-CB 3.06Å; E1081-K1085 PolarHBondContact O-N 3.4Å; R1082-K1085 PolarHBondContact O-N 3.44Å; K1085-L1088 PolarHBondContact O-N 3.28Å; K1085-A1089 PolarHBondContact O-N 2.99Å
1086E92.9Very high92.6Very high100 Ų100115.9 Ų115.947%0.46755%0.548SS..Hα-helixtrans-70.4-36174.4-167.6179.6-174.900111.6R1082 E1083 E1084 A1089 R1090R1082-E1086 WeakPolarHBondContact O-CB 3.15Å; R1082-E1086 PolarHBondContact O-N 2.92Å; E1083-E1086 PolarHBondContact O-N 3.45Å; E1084-E1086 PolarHBondContact O-N 3.38Å; E1086-A1089 PolarHBondContact O-N 3.36Å; E1086-R1090 WeakPolarHBondContact O-CG 3.43Å; E1086-R1090 PolarHBondContact O-N 2.82Å; E1086-R1090 IonicContact OE1-CZ 3.87Å; E1086-R1090 IonicContact OE1-NE 3.51Å; E1086-R1090 IonicContact OE1-NH2 2.67Å; E1086-R1090 PolarHBondContact OE1-NH2 2.98Å; E1086-R1090 IonicContact OE2-NH2 3.05Å; E1086-R1090 PolarHBondContact OE2-NH2 3.24Å
1087R95Very high93.1Very high189 Ų189118.5 Ų118.571%0.71355%0.552SS**Hα-helixtrans-62.1-42.3172.1-179.9178.7178.1165.8-0.7111.9E1083 E1084 R1090 L1091E1083-R1087 VanDerWaalsContact O-CB 3.29Å; E1083-R1087 WeakPolarHBondContact O-CB 3.39Å; E1083-R1087 PolarHBondContact O-N 2.73Å; E1084-R1087 WeakPolarHBondContact O-CB 3.5Å; E1084-R1087 PolarHBondContact O-N 3.49Å; R1087-R1090 PolarHBondContact O-N 2.88Å; R1087-L1091 PolarHBondContact O-N 2.97Å
1088L94.8Very high93.3Very high105 Ų105115.4 Ų115.455%0.5554%0.543SS..Hα-helixtrans-61.4-48.4172.6-113.167.2000111.2E1084 K1085 R1090 L1091 T1092E1084-L1088 PolarHBondContact O-N 2.82Å; K1085-L1088 PolarHBondContact O-N 3.28Å; L1088-R1090 VanDerWaalsContact C-N 3.3Å; L1088-R1090 PolarHBondContact O-N 2.74Å; L1088-L1091 WeakPolarHBondContact O-CB 3.15Å; L1088-L1091 PolarHBondContact O-N 2.83Å; L1088-T1092 PolarHBondContact O-N 3.09Å; L1088-T1092 PolarHBondContact O-OG1 2.61Å
1089A93.6Very high93.5Very high59 Ų59113 Ų11349%0.48854%0.541SS..Hα-helixtrans-58.9-39.517900000112.9K1085 E1086 Q1093K1085-A1089 PolarHBondContact O-N 2.99Å; E1086-A1089 PolarHBondContact O-N 3.36Å; A1089-Q1093 WeakPolarHBondContact O-CB 3.46Å; A1089-Q1093 PolarHBondContact O-N 3.39Å
1090R95.3Very high93.7Very high147 Ų147116.6 Ų116.656%0.55556%0.557SS**Hα-helixtrans-67.7-35174.1-69.7174.7-169.81551.9112.7E1086 R1087 L1088 Q1094E1086-R1090 WeakPolarHBondContact O-CG 3.43Å; E1086-R1090 PolarHBondContact O-N 2.82Å; E1086-R1090 IonicContact OE1-CZ 3.87Å; E1086-R1090 IonicContact OE1-NE 3.51Å; E1086-R1090 IonicContact OE1-NH2 2.67Å; E1086-R1090 PolarHBondContact OE1-NH2 2.98Å; E1086-R1090 IonicContact OE2-NH2 3.05Å; E1086-R1090 PolarHBondContact OE2-NH2 3.24Å; R1087-R1090 PolarHBondContact O-N 2.88Å; L1088-R1090 VanDerWaalsContact C-N 3.3Å; L1088-R1090 PolarHBondContact O-N 2.74Å; R1090-Q1094 PolarHBondContact O-N 2.88Å
1091L95Very high93.9Very high106 Ų106117.8 Ų117.856%0.55556%0.558SS**Hα-helixtrans-67.5-47.8176.1-175.265.1000111.1R1087 L1088 Q1093 Q1094 E1095R1087-L1091 PolarHBondContact O-N 2.97Å; L1088-L1091 WeakPolarHBondContact O-CB 3.15Å; L1088-L1091 PolarHBondContact O-N 2.83Å; L1091-Q1093 VanDerWaalsContact C-N 3.33Å; L1091-Q1093 PolarHBondContact O-N 3.37Å; L1091-Q1094 PolarHBondContact O-N 2.67Å; L1091-E1095 WeakPolarHBondContact O-CB 3.33Å; L1091-E1095 PolarHBondContact O-N 2.88Å
1092T93.6Very high93.7Very high76 Ų76114.3 Ų114.347%0.46655%0.551SS.*Hα-helixtrans-64.4-35.2175.8-54.40000112.3L1088 Q1096L1088-T1092 PolarHBondContact O-N 3.09Å; L1088-T1092 PolarHBondContact O-OG1 2.61Å; T1092-Q1096 WeakPolarHBondContact O-CB 3.36Å; T1092-Q1096 PolarHBondContact O-N 3.14Å
1093Q93.8Very high93.8Very high111 Ų111112.5 Ų112.552%0.51955%0.549SS..Hα-helixtrans-62.5-46.8171.4-179-179.2-16.600111.1A1089 L1091 E1095 Q1096 E1097A1089-Q1093 WeakPolarHBondContact O-CB 3.46Å; A1089-Q1093 PolarHBondContact O-N 3.39Å; L1091-Q1093 VanDerWaalsContact C-N 3.33Å; L1091-Q1093 PolarHBondContact O-N 3.37Å; Q1093-E1095 PolarHBondContact O-N 3.14Å; Q1093-Q1096 PolarHBondContact O-N 3.16Å; Q1093-E1097 HydrophobicContact CG-CG 4.49Å; Q1093-E1097 WeakPolarHBondContact CG-OE1 3.44Å; Q1093-E1097 PolarHBondContact NE2-OE1 2.75Å; Q1093-E1097 WeakPolarHBondContact O-CG 3.48Å; Q1093-E1097 PolarHBondContact O-N 3.13Å
1094Q94.6Very high93.6Very high107 Ų107108.2 Ų108.250%0.554%0.538SS..Hα-helixtrans-62.6-43.5178.5-163.7-156.5-55.100111.4R1090 L1091 Q1096 E1097 D1098R1090-Q1094 PolarHBondContact O-N 2.88Å; L1091-Q1094 PolarHBondContact O-N 2.67Å; Q1094-Q1096 VanDerWaalsContact C-N 3.28Å; Q1094-Q1096 PolarHBondContact O-N 2.76Å; Q1094-E1097 PolarHBondContact O-N 3.15Å; Q1094-D1098 PolarHBondContact NE2-OD2 3.26Å; Q1094-D1098 WeakPolarHBondContact O-CB 3.49Å; Q1094-D1098 PolarHBondContact O-N 2.99Å
1095E95.3Very high93.4Very high131 Ų131107 Ų10761%0.61254%0.535SS*.Hα-helixtrans-58-39.1175.1-178.1173.6-148.500112.1L1091 Q1093 L1099L1091-E1095 WeakPolarHBondContact O-CB 3.33Å; L1091-E1095 PolarHBondContact O-N 2.88Å; Q1093-E1095 PolarHBondContact O-N 3.14Å; E1095-L1099 VanDerWaalsContact O-CB 3.27Å; E1095-L1099 WeakPolarHBondContact O-CB 2.95Å; E1095-L1099 PolarHBondContact O-N 2.89Å
1096Q94.8Very high93.1Very high135 Ų135102.3 Ų102.363%0.63152%0.522SS*.Hα-helixtrans-73.8-34.8175.4-172.7168.9-12.500113.2T1092 Q1093 Q1094 L1099 E1100T1092-Q1096 WeakPolarHBondContact O-CB 3.36Å; T1092-Q1096 PolarHBondContact O-N 3.14Å; Q1093-Q1096 PolarHBondContact O-N 3.16Å; Q1094-Q1096 VanDerWaalsContact C-N 3.28Å; Q1094-Q1096 PolarHBondContact O-N 2.76Å; Q1096-L1099 PolarHBondContact O-N 3.28Å; Q1096-E1100 PolarHBondContact O-N 2.9Å
1097E94.9Very high92.5Very high106 Ų106104.3 Ų104.350%0.49553%0.53SS..Hα-helixtrans-67.4-42.3173.1-73.8175.1-167.400111.5Q1093 Q1094 E1100 L1101Q1093-E1097 HydrophobicContact CG-CG 4.49Å; Q1093-E1097 WeakPolarHBondContact CG-OE1 3.44Å; Q1093-E1097 PolarHBondContact NE2-OE1 2.75Å; Q1093-E1097 WeakPolarHBondContact O-CG 3.48Å; Q1093-E1097 PolarHBondContact O-N 3.13Å; Q1094-E1097 PolarHBondContact O-N 3.15Å; E1097-E1100 PolarHBondContact O-N 2.95Å; E1097-L1101 WeakPolarHBondContact O-CB 3.24Å; E1097-L1101 PolarHBondContact O-N 2.84Å
1098D95.3Very high91.6Very high85 Ų8598.9 Ų98.946%0.45552%0.521SS..Hα-helixtrans-65.3-36.9174.2-76.1-36.5000111.2Q1094 L1101 A1102Q1094-D1098 PolarHBondContact NE2-OD2 3.26Å; Q1094-D1098 WeakPolarHBondContact O-CB 3.49Å; Q1094-D1098 PolarHBondContact O-N 2.99Å; D1098-L1101 PolarHBondContact O-N 2.81Å; D1098-A1102 WeakPolarHBondContact O-CB 3.5Å; D1098-A1102 PolarHBondContact O-N 2.96Å
1099L95.4Very high90.7Very high105 Ų105102.1 Ų102.155%0.5553%0.533SS..Hα-helixtrans-68.4-42.8173.6-178.664000112.7E1095 Q1096 L1101 A1102 I1103E1095-L1099 VanDerWaalsContact O-CB 3.27Å; E1095-L1099 WeakPolarHBondContact O-CB 2.95Å; E1095-L1099 PolarHBondContact O-N 2.89Å; Q1096-L1099 PolarHBondContact O-N 3.28Å; L1099-L1101 VanDerWaalsContact C-N 3.31Å; L1099-L1101 PolarHBondContact O-N 3.37Å; L1099-A1102 PolarHBondContact O-N 2.69Å; L1099-I1103 HydrophobicContact CD1-CD1 4.25Å; L1099-I1103 HydrophobicContact CG-CD1 4.03Å; L1099-I1103 VanDerWaalsContact O-CG1 3.29Å; L1099-I1103 WeakPolarHBondContact O-CG1 3.47Å; L1099-I1103 PolarHBondContact O-N 3Å
1100E93.3Very high89.2Confident141 Ų141106.4 Ų106.466%0.65955%0.547SS*.Hα-helixtrans-63-40174.7-175.8170.3-172.600111Q1096 E1097 I1103 A1104Q1096-E1100 PolarHBondContact O-N 2.9Å; E1097-E1100 PolarHBondContact O-N 2.95Å; E1100-I1103 PolarHBondContact O-N 2.87Å; E1100-A1104 WeakPolarHBondContact O-CB 3.39Å; E1100-A1104 PolarHBondContact O-N 3.28Å
1101L94.4Very high87.2Confident97 Ų97107 Ų10751%0.50857%0.574SS.*Hα-helixtrans-62.4-44173.8-17961.1000112E1097 D1098 L1099 I1103 A1104 L1105E1097-L1101 WeakPolarHBondContact O-CB 3.24Å; E1097-L1101 PolarHBondContact O-N 2.84Å; D1098-L1101 PolarHBondContact O-N 2.81Å; L1099-L1101 VanDerWaalsContact C-N 3.31Å; L1099-L1101 PolarHBondContact O-N 3.37Å; L1101-I1103 PolarHBondContact O-N 3.02Å; L1101-A1104 PolarHBondContact O-N 3.42Å; L1101-L1105 HydrophobicContact CD1-CD1 4.29Å; L1101-L1105 HydrophobicContact CD1-CG 4.32Å; L1101-L1105 HydrophobicContact CG-CD1 4.1Å; L1101-L1105 WeakPolarHBondContact O-CB 3.37Å; L1101-L1105 VanDerWaalsContact O-CG 3.3Å; L1101-L1105 WeakPolarHBondContact O-CG 3.27Å; L1101-L1105 PolarHBondContact O-N 2.8Å
1102A91.1Very high86.8Confident54 Ų54107.1 Ų107.145%0.44658%0.575SS.*Hα-helixtrans-61.8-42.4175.700000112.2D1098 L1099 L1105 S1106D1098-A1102 WeakPolarHBondContact O-CB 3.5Å; D1098-A1102 PolarHBondContact O-N 2.96Å; L1099-A1102 PolarHBondContact O-N 2.69Å; A1102-L1105 PolarHBondContact O-N 3.41Å; A1102-S1106 WeakPolarHBondContact O-CB 3.48Å; A1102-S1106 PolarHBondContact O-N 3.27Å
1103I91.5Very high86.4Confident76 Ų76108.7 Ų108.739%0.3958%0.581SS.*Hα-helixtrans-64.9-39.6175.2-69.6166.2000111.1L1099 E1100 L1101 K1107L1099-I1103 HydrophobicContact CD1-CD1 4.25Å; L1099-I1103 HydrophobicContact CG-CD1 4.03Å; L1099-I1103 VanDerWaalsContact O-CG1 3.29Å; L1099-I1103 WeakPolarHBondContact O-CG1 3.47Å; L1099-I1103 PolarHBondContact O-N 3Å; E1100-I1103 PolarHBondContact O-N 2.87Å; L1101-I1103 PolarHBondContact O-N 3.02Å; I1103-K1107 HydrophobicContact CG2-CD 4.02Å; I1103-K1107 WeakPolarHBondContact O-CB 3.26Å; I1103-K1107 VanDerWaalsContact O-CG 3.26Å; I1103-K1107 WeakPolarHBondContact O-CG 3.23Å; I1103-K1107 PolarHBondContact O-N 3.24Å
1104A88.2Confident86Confident53 Ų53108.6 Ų108.644%0.43858%0.584SS.*Hα-helixtrans-67.1-42.6177.100000112E1100 L1101 K1107 S1108E1100-A1104 WeakPolarHBondContact O-CB 3.39Å; E1100-A1104 PolarHBondContact O-N 3.28Å; L1101-A1104 PolarHBondContact O-N 3.42Å; A1104-K1107 PolarHBondContact O-N 2.96Å; A1104-S1108 PolarHBondContact O-N 3.08Å
1105L86.6Confident85.5Confident101 Ų101108.6 Ų108.653%0.52959%0.589SS.*Hα-helixtrans-62.6-49.4175.1-72.7169.1000111.2L1101 A1102 K1107 S1108 E1109L1101-L1105 HydrophobicContact CD1-CD1 4.29Å; L1101-L1105 HydrophobicContact CD1-CG 4.32Å; L1101-L1105 HydrophobicContact CG-CD1 4.1Å; L1101-L1105 WeakPolarHBondContact O-CB 3.37Å; L1101-L1105 VanDerWaalsContact O-CG 3.3Å; L1101-L1105 WeakPolarHBondContact O-CG 3.27Å; L1101-L1105 PolarHBondContact O-N 2.8Å; A1102-L1105 PolarHBondContact O-N 3.41Å; L1105-K1107 VanDerWaalsContact C-N 3.32Å; L1105-K1107 PolarHBondContact O-N 3.39Å; L1105-S1108 WeakPolarHBondContact CA-OG 3.37Å; L1105-S1108 CarbonylContact O-C 3.58Å; L1105-S1108 WeakPolarHBondContact O-CA 3.39Å; L1105-S1108 PolarHBondContact O-N 3.45Å; L1105-S1108 PolarHBondContact O-OG 3.03Å; L1105-E1109 PolarHBondContact O-N 2.59Å
1106S85.5Confident84.9Confident64 Ų64107.3 Ų107.345%0.44859%0.587SS.*Hα-helixtrans-59-41176.8-179.40000112.3A1102 S1108 E1109 L1110A1102-S1106 WeakPolarHBondContact O-CB 3.48Å; A1102-S1106 PolarHBondContact O-N 3.27Å; S1106-S1108 VanDerWaalsContact C-N 3.3Å; S1106-S1108 PolarHBondContact O-N 3.21Å; S1106-E1109 PolarHBondContact O-N 3.45Å; S1106-L1110 WeakPolarHBondContact O-CG 3.4Å; S1106-L1110 PolarHBondContact O-N 2.92Å
1107K79.8Confident84.2Confident142 Ų142105.4 Ų105.462%0.61759%0.585SS**Hα-helixtrans-64.4-30.7172.7-75.6169.8-178.7169.90113.4I1103 A1104 L1105I1103-K1107 HydrophobicContact CG2-CD 4.02Å; I1103-K1107 WeakPolarHBondContact O-CB 3.26Å; I1103-K1107 VanDerWaalsContact O-CG 3.26Å; I1103-K1107 WeakPolarHBondContact O-CG 3.23Å; I1103-K1107 PolarHBondContact O-N 3.24Å; A1104-K1107 PolarHBondContact O-N 2.96Å; L1105-K1107 VanDerWaalsContact C-N 3.32Å; L1105-K1107 PolarHBondContact O-N 3.39Å
1108S77.1Confident83.5Confident76 Ų76105.4 Ų105.453%0.53159%0.591SS.*Hα-helixtrans-79.2-18.9176.174.10000114A1104 L1105 S1106A1104-S1108 PolarHBondContact O-N 3.08Å; L1105-S1108 WeakPolarHBondContact CA-OG 3.37Å; L1105-S1108 CarbonylContact O-C 3.58Å; L1105-S1108 WeakPolarHBondContact O-CA 3.39Å; L1105-S1108 PolarHBondContact O-N 3.45Å; L1105-S1108 PolarHBondContact O-OG 3.03Å; S1106-S1108 VanDerWaalsContact C-N 3.3Å; S1106-S1108 PolarHBondContact O-N 3.21Å
1109E75.8Confident82.5Confident172 Ų172106.9 Ų106.980%0.80460%0.601SS**Hα-helixtrans-89.5-12.9174-165167.2-160.700112.3L1105 S1106L1105-E1109 PolarHBondContact O-N 2.59Å; S1106-E1109 PolarHBondContact O-N 3.45Å
1110L63.1Low81.5Confident149 Ų149107.1 Ų107.178%0.7861%0.606SS**  trans-97.48174.9-72.5167000113.9S1106S1106-L1110 WeakPolarHBondContact O-CG 3.4Å; S1106-L1110 PolarHBondContact O-N 2.92Å
1111S51.4Low80.4Confident160 Ų160104 Ų104100%1.11960%0.601SS**  trans-129.60-173.8-175.30000114

Retrieved 1,111 of 1,111 residues in 1036.5 ms (Link to these results)

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