A0A5K4FCW2_SCHMA Loading...

IQ calmodulin-binding motif family protein

AlphaFold DB , UniProt , Accession A0A5K4FCW2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 694 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
1M65.5Low73.3Confident53 Ų5362.4 Ų62.426%0.26130%0.303SS..  0-61.50-84.8-52.7-7700116.9K3 I4 K5 E34 F41 I42 Y45M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 2.99Å; M1-I4 WeakPolarHBondContact O-CA 3.34Å; M1-I4 WeakPolarHBondContact O-CB 3.21Å; M1-I4 PolarHBondContact O-N 3.4Å; M1-I4 HydrophobicContact SD-CD1 4.18Å; M1-K5 HydrophobicContact CE-CG 4.46Å; M1-K5 PolarHBondContact O-N 2.59Å; M1-K5 VanDerWaalsContact O-N 3.08Å; M1-E34 PolarHBondContact N-OE1 3.2Å; M1-F41 HydrophobicContact CE-CD1 4.35Å; M1-F41 HydrophobicContact CE-CE1 3.95Å; M1-I42 HydrophobicContact SD-CD1 4.47Å; M1-I42 HydrophobicContact SD-CG1 3.71Å; M1-Y45 HydrophobicContact CE-CD1 4.22Å; M1-Y45 HydrophobicContact CE-CG 4.36Å
2N74.1Confident72.9Confident134 Ų13467.1 Ų67.172%0.71732%0.324SS*.Hα-helixtrans-54.6-42.4-175.3-71.2-10.7000113I4 K5 E6N2-I4 VanDerWaalsContact C-N 3.31Å; N2-I4 PolarHBondContact O-N 3.04Å; N2-K5 WeakPolarHBondContact O-CB 3.46Å; N2-K5 PolarHBondContact O-N 3.3Å; N2-K5 VanDerWaalsContact O-N 3.14Å; N2-E6 PolarHBondContact O-N 3.13Å
3K75Confident72.8Confident100 Ų10070.2 Ų70.244%0.43535%0.349SS..Hα-helixtrans-59.5-37173.9-167.3173.1-177.3-174.70113.4M1 I7 E26 V30M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 2.99Å; K3-I7 HydrophobicContact CG-CD1 4Å; K3-I7 WeakPolarHBondContact O-CD1 3.28Å; K3-I7 VanDerWaalsContact O-CG1 3.22Å; K3-I7 WeakPolarHBondContact O-CG1 3.2Å; K3-I7 PolarHBondContact O-N 2.87Å; K3-I7 VanDerWaalsContact O-N 3.1Å; K3-E26 WeakPolarHBondContact CE-OE1 3.36Å; K3-E26 IonicContact NZ-OE1 2.71Å; K3-E26 PolarHBondContact NZ-OE1 3.27Å; K3-V30 HydrophobicContact CD-CG2 4.13Å
4I71.7Confident72.7Confident1 Ų168.7 Ų68.71%0.00534%0.341CS..Hα-helixtrans-65.9-44.4175.6-60.7174.7000109.6M1 N2 I7 T8 V30 I42 L46M1-I4 WeakPolarHBondContact O-CA 3.34Å; M1-I4 WeakPolarHBondContact O-CB 3.21Å; M1-I4 PolarHBondContact O-N 3.4Å; M1-I4 HydrophobicContact SD-CD1 4.18Å; N2-I4 VanDerWaalsContact C-N 3.31Å; N2-I4 PolarHBondContact O-N 3.04Å; I4-I7 PolarHBondContact O-N 3.14Å; I4-T8 WeakPolarHBondContact O-CB 3.29Å; I4-T8 PolarHBondContact O-N 2.8Å; I4-T8 PolarHBondContact O-OG1 3.01Å; I4-V30 HydrophobicContact CD1-CG1 4.28Å; I4-V30 HydrophobicContact CG1-CG1 3.8Å; I4-I42 HydrophobicContact CD1-CD1 4.14Å; I4-I42 HydrophobicContact CD1-CG1 4.37Å; I4-I42 HydrophobicContact CD1-CG2 4.11Å; I4-L46 HydrophobicContact CG2-CD2 3.98Å
5K73.8Confident72.7Confident82 Ų8274.7 Ų74.736%0.35737%0.373SS..Hα-helixtrans-60.8-48.4178.5-60-165.7174.1176.10111.8M1 N2 I7 T8 E9 Y45M1-K5 HydrophobicContact CE-CG 4.46Å; M1-K5 PolarHBondContact O-N 2.59Å; M1-K5 VanDerWaalsContact O-N 3.08Å; N2-K5 WeakPolarHBondContact O-CB 3.46Å; N2-K5 PolarHBondContact O-N 3.3Å; N2-K5 VanDerWaalsContact O-N 3.14Å; K5-I7 PolarHBondContact O-N 2.83Å; K5-T8 PolarHBondContact O-N 3.47Å; K5-T8 VanDerWaalsContact O-N 3.1Å; K5-E9 WeakPolarHBondContact O-CG 3.48Å; K5-E9 PolarHBondContact O-N 2.65Å; K5-Y45 HydrophobicContact CG-CE1 3.9Å; K5-Y45 WeakPolarHBondContact CG-OH 3.26Å
6E77.8Confident72.9Confident128 Ų12874.9 Ų74.960%0.59838%0.375SS*.Hα-helixtrans-58.5-46.1178.7-173.4-179.5-177.800112.4N2 T8 T10N2-E6 PolarHBondContact O-N 3.13Å; E6-T8 VanDerWaalsContact C-N 3.33Å; E6-T8 PolarHBondContact O-N 3.35Å; E6-T10 WeakPolarHBondContact O-CG2 3.22Å; E6-T10 PolarHBondContact O-N 3.3Å; E6-T10 VanDerWaalsContact O-N 3.1Å; E6-T10 PolarHBondContact O-OG1 2.87Å
7I76.2Confident72.9Confident12 Ų1275.3 Ų75.36%0.06238%0.379CS..Hα-helixtrans-66.5-35.9176.5-61.3166000111K3 I4 K5 T10 L11 Q23 E26 L27K3-I7 HydrophobicContact CG-CD1 4Å; K3-I7 WeakPolarHBondContact O-CD1 3.28Å; K3-I7 VanDerWaalsContact O-CG1 3.22Å; K3-I7 WeakPolarHBondContact O-CG1 3.2Å; K3-I7 PolarHBondContact O-N 2.87Å; K3-I7 VanDerWaalsContact O-N 3.1Å; I4-I7 PolarHBondContact O-N 3.14Å; K5-I7 PolarHBondContact O-N 2.83Å; I7-T10 VanDerWaalsContact C-OG1 3.3Å; I7-T10 VanDerWaalsContact CA-OG1 3.29Å; I7-T10 WeakPolarHBondContact CA-OG1 3.24Å; I7-T10 PolarHBondContact O-OG1 3.37Å; I7-L11 HydrophobicContact CG2-CD1 4.15Å; I7-L11 HydrophobicContact CG2-CG 4.48Å; I7-L11 WeakPolarHBondContact O-CB 3.14Å; I7-L11 WeakPolarHBondContact O-CD1 3.43Å; I7-L11 WeakPolarHBondContact O-CG 3.11Å; I7-L11 PolarHBondContact O-N 3.29Å; I7-L11 VanDerWaalsContact O-N 3.1Å; I7-Q23 HydrophobicContact CG2-CB 3.95Å; I7-Q23 HydrophobicContact CG2-CG 4.43Å; I7-E26 HydrophobicContact CD1-CG 4Å; I7-L27 HydrophobicContact CB-CD1 4.24Å; I7-L27 HydrophobicContact CG2-CB 4.04Å; I7-L27 HydrophobicContact CG2-CD1 3.87Å; I7-L27 HydrophobicContact CG2-CG 4.4Å
8T69.9Low73Confident0 Ų074.5 Ų74.50%038%0.382CS..Hα-helixtrans-76.2-33.4-178.2-37.90000112.6I4 K5 E6 Q12 L49I4-T8 WeakPolarHBondContact O-CB 3.29Å; I4-T8 PolarHBondContact O-N 2.8Å; I4-T8 PolarHBondContact O-OG1 3.01Å; K5-T8 PolarHBondContact O-N 3.47Å; K5-T8 VanDerWaalsContact O-N 3.1Å; E6-T8 VanDerWaalsContact C-N 3.33Å; E6-T8 PolarHBondContact O-N 3.35Å; T8-Q12 PolarHBondContact O-N 3.43Å; T8-L49 HydrophobicContact CG2-CB 4.11Å; T8-L49 HydrophobicContact CG2-CD1 3.47Å; T8-L49 VanDerWaalsContact CG2-CD1 3.47Å; T8-L49 HydrophobicContact CG2-CG 4.42Å
9E74.7Confident73.3Confident120 Ų12076.3 Ų76.356%0.56139%0.386SS*.Hα-helixtrans-67.8-42.9174-74.8173.7-170.700111.4K5 L11 Q12K5-E9 WeakPolarHBondContact O-CG 3.48Å; K5-E9 PolarHBondContact O-N 2.65Å; E9-L11 PolarHBondContact O-N 2.82Å; E9-Q12 PolarHBondContact O-N 3.36Å
10T75.2Confident73.6Confident47 Ų4773.4 Ų73.429%0.28837%0.372SS..Hα-helixtrans-61.2-44174.844.40000111.7E6 I7 Q12 T13 E14E6-T10 WeakPolarHBondContact O-CG2 3.22Å; E6-T10 PolarHBondContact O-N 3.3Å; E6-T10 VanDerWaalsContact O-N 3.1Å; E6-T10 PolarHBondContact O-OG1 2.87Å; I7-T10 VanDerWaalsContact C-OG1 3.3Å; I7-T10 VanDerWaalsContact CA-OG1 3.29Å; I7-T10 WeakPolarHBondContact CA-OG1 3.24Å; I7-T10 PolarHBondContact O-OG1 3.37Å; T10-Q12 PolarHBondContact O-N 2.96Å; T10-Q12 VanDerWaalsContact O-N 3.1Å; T10-T13 PolarHBondContact O-N 2.84Å; T10-T13 PolarHBondContact O-OG1 3.49Å; T10-E14 PolarHBondContact O-N 3.22Å
11L72.3Confident73.7Confident9 Ų970.1 Ų70.15%0.04736%0.355CS..Hα-helixtrans-56.3-26.4175.3-79.3170.3000114.8I7 E9 I20 Q23 L24 L27 L51I7-L11 HydrophobicContact CG2-CD1 4.15Å; I7-L11 HydrophobicContact CG2-CG 4.48Å; I7-L11 WeakPolarHBondContact O-CB 3.14Å; I7-L11 WeakPolarHBondContact O-CD1 3.43Å; I7-L11 WeakPolarHBondContact O-CG 3.11Å; I7-L11 PolarHBondContact O-N 3.29Å; I7-L11 VanDerWaalsContact O-N 3.1Å; E9-L11 PolarHBondContact O-N 2.82Å; L11-I20 HydrophobicContact CD2-CB 4.27Å; L11-I20 HydrophobicContact CD2-CG1 4.41Å; L11-I20 HydrophobicContact CD2-CG2 3.91Å; L11-Q23 HydrophobicContact CD2-CB 3.8Å; L11-Q23 VanDerWaalsContact CD2-OE1 3.31Å; L11-Q23 HydrophobicContact CG-CB 4.12Å; L11-L24 HydrophobicContact CD1-CD2 3.66Å; L11-L24 HydrophobicContact CD1-CG 4.22Å; L11-L24 HydrophobicContact CD2-CD2 4.24Å; L11-L24 HydrophobicContact CD2-CG 3.99Å; L11-L27 HydrophobicContact CD1-CD1 4.11Å; L11-L51 HydrophobicContact CD1-CD1 4.31Å
12Q68.9Low74.4Confident119 Ų11971.4 Ų71.456%0.55637%0.369SS*.Hα-helixtrans-78.6-24.4175.9-70.3-175.9-5.700112.9T8 E9 T10T8-Q12 PolarHBondContact O-N 3.43Å; E9-Q12 PolarHBondContact O-N 3.36Å; T10-Q12 PolarHBondContact O-N 2.96Å; T10-Q12 VanDerWaalsContact O-N 3.1Å
13T70.7Confident74.7Confident107 Ų10766.4 Ų66.466%0.65634%0.342SS*.Hα-helixtrans-97.1-26.1-177.964.20000113.2T10T10-T13 PolarHBondContact O-N 2.84Å; T10-T13 PolarHBondContact O-OG1 3.49Å
14E72.3Confident75Confident50 Ų5061.7 Ų61.723%0.23432%0.321CS..  trans-69.6134.7-175.7-130.4105.2-165.800112.2T10 K19 I20 Q23T10-E14 PolarHBondContact O-N 3.22Å; E14-K19 HydrophobicContact CG-CB 4.06Å; E14-K19 HydrophobicContact CG-CD 4.35Å; E14-K19 WeakPolarHBondContact OE1-CD 3.16Å; E14-I20 HydrophobicContact CB-CG1 4.01Å; E14-Q23 PolarHBondContact OE2-NE2 3.36Å; E14-Q23 PolarHBondContact OE2-OE1 2.86Å
15I71.7Confident75.4Confident159 Ų15963 Ų6382%0.81533%0.329SS*.  trans-103.6-22.1176.6-59.2172000111.4D17I15-D17 PolarHBondContact O-N 2.8Å
16D76.9Confident75.8Confident77 Ų7762.9 Ų62.941%0.41233%0.33SS..  trans-82111.7-174.1-172.1-13.8000111.4S18 K19 I20D16-S18 VanDerWaalsContact CG-OG 3.29Å; D16-S18 PolarHBondContact O-N 3.47Å; D16-S18 VanDerWaalsContact O-N 3.16Å; D16-S18 PolarHBondContact OD1-N 2.86Å; D16-S18 VanDerWaalsContact OD1-N 3.08Å; D16-S18 PolarHBondContact OD1-OG 2.92Å; D16-S18 PolarHBondContact OD2-OG 2.97Å; D16-K19 HydrophobicContact CB-CB 4.29Å; D16-K19 HydrophobicContact CB-CD 4.2Å; D16-K19 HydrophobicContact CB-CG 4.14Å; D16-K19 PolarHBondContact O-N 2.78Å; D16-K19 VanDerWaalsContact O-N 3.12Å; D16-I20 WeakPolarHBondContact O-CG1 3.49Å; D16-I20 PolarHBondContact O-N 3.32Å
17D72.9Confident76Confident82 Ų8256.9 Ų56.944%0.43930%0.302SS..Hα-helixtrans-52.9-35.6-180-72.6-22.8000113I15 I21 Q61I15-D17 PolarHBondContact O-N 2.8Å; D17-I21 WeakPolarHBondContact O-CG1 3.49Å; D17-I21 PolarHBondContact O-N 3.5Å; D17-I21 VanDerWaalsContact O-N 3.12Å; D17-Q61 PolarHBondContact OD1-NE2 3.03Å
18S74.3Confident76.3Confident61 Ų6157.2 Ų57.243%0.42730%0.303SS..Hα-helixtrans-68.4-40.9-178.968.10000112.2D16 S22D16-S18 VanDerWaalsContact CG-OG 3.29Å; D16-S18 PolarHBondContact O-N 3.47Å; D16-S18 VanDerWaalsContact O-N 3.16Å; D16-S18 PolarHBondContact OD1-N 2.86Å; D16-S18 VanDerWaalsContact OD1-N 3.08Å; D16-S18 PolarHBondContact OD1-OG 2.92Å; D16-S18 PolarHBondContact OD2-OG 2.97Å; S18-S22 PolarHBondContact O-N 3.43Å
19K78.3Confident76.9Confident108 Ų10861 Ų6147%0.4732%0.321SS..Hα-helixtrans-70.4-41.5176.7-65.9-172.7-177-176.30111.4E14 D16 I21 S22 Q23E14-K19 HydrophobicContact CG-CB 4.06Å; E14-K19 HydrophobicContact CG-CD 4.35Å; E14-K19 WeakPolarHBondContact OE1-CD 3.16Å; D16-K19 HydrophobicContact CB-CB 4.29Å; D16-K19 HydrophobicContact CB-CD 4.2Å; D16-K19 HydrophobicContact CB-CG 4.14Å; D16-K19 PolarHBondContact O-N 2.78Å; D16-K19 VanDerWaalsContact O-N 3.12Å; K19-I21 VanDerWaalsContact C-N 3.28Å; K19-I21 PolarHBondContact O-N 2.82Å; K19-S22 WeakPolarHBondContact O-CB 3.25Å; K19-S22 PolarHBondContact O-N 3.41Å; K19-S22 VanDerWaalsContact O-N 3.14Å; K19-Q23 WeakPolarHBondContact O-CB 3.35Å; K19-Q23 WeakPolarHBondContact O-CG 3.1Å; K19-Q23 PolarHBondContact O-N 2.77Å
20I78.8Confident77.1Confident19 Ų1956 Ų5610%0.09730%0.298CS..Hα-helixtrans-55.1-45.8175.2-68.8168.7000110.3L11 E14 D16 Q23 L24L11-I20 HydrophobicContact CD2-CB 4.27Å; L11-I20 HydrophobicContact CD2-CG1 4.41Å; L11-I20 HydrophobicContact CD2-CG2 3.91Å; E14-I20 HydrophobicContact CB-CG1 4.01Å; D16-I20 WeakPolarHBondContact O-CG1 3.49Å; D16-I20 PolarHBondContact O-N 3.32Å; I20-Q23 PolarHBondContact O-N 2.88Å; I20-L24 HydrophobicContact CG2-CD1 3.77Å; I20-L24 HydrophobicContact CG2-CG 4.33Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 WeakPolarHBondContact O-CG 3.2Å; I20-L24 PolarHBondContact O-N 3.47Å
21I76.3Confident77.3Confident4 Ų454 Ų542%0.02129%0.285CS..Hα-helixtrans-66.2-41.9178.7-68.3166.4000111.7D17 K19 L24 T25 F63 I66 I72D17-I21 WeakPolarHBondContact O-CG1 3.49Å; D17-I21 PolarHBondContact O-N 3.5Å; D17-I21 VanDerWaalsContact O-N 3.12Å; K19-I21 VanDerWaalsContact C-N 3.28Å; K19-I21 PolarHBondContact O-N 2.82Å; I21-L24 PolarHBondContact O-N 3.34Å; I21-T25 WeakPolarHBondContact O-CB 3.25Å; I21-T25 PolarHBondContact O-N 2.89Å; I21-T25 PolarHBondContact O-OG1 2.84Å; I21-F63 HydrophobicContact CD1-CD1 4.35Å; I21-F63 HydrophobicContact CD1-CE1 3.77Å; I21-F63 HydrophobicContact CD1-CZ 4.17Å; I21-F63 HydrophobicContact CG1-CE1 4.25Å; I21-F63 HydrophobicContact CG2-CE1 4.1Å; I21-I66 HydrophobicContact CD1-CB 4.43Å; I21-I66 HydrophobicContact CD1-CD1 3.24Å; I21-I66 HydrophobicContact CD1-CG1 3.81Å; I21-I66 HydrophobicContact CD1-CG2 4.26Å; I21-I72 HydrophobicContact CG2-CG2 3.77Å
22S80Confident77.5Confident80 Ų8055.9 Ų55.956%0.55930%0.295SS*.Hα-helixtrans-60.4-47.2177-169.70000111.3S18 K19 T25 E26S18-S22 PolarHBondContact O-N 3.43Å; K19-S22 WeakPolarHBondContact O-CB 3.25Å; K19-S22 PolarHBondContact O-N 3.41Å; K19-S22 VanDerWaalsContact O-N 3.14Å; S22-T25 PolarHBondContact O-N 2.9Å; S22-E26 PolarHBondContact O-N 3.36Å
23Q80.9Confident77.9Confident30 Ų3057.6 Ų57.614%0.1430%0.303CS..Hα-helixtrans-64.5-42.5177.3-77.4174-17.900112.5I7 L11 E14 K19 I20 T25 E26 L27I7-Q23 HydrophobicContact CG2-CB 3.95Å; I7-Q23 HydrophobicContact CG2-CG 4.43Å; L11-Q23 HydrophobicContact CD2-CB 3.8Å; L11-Q23 VanDerWaalsContact CD2-OE1 3.31Å; L11-Q23 HydrophobicContact CG-CB 4.12Å; E14-Q23 PolarHBondContact OE2-NE2 3.36Å; E14-Q23 PolarHBondContact OE2-OE1 2.86Å; K19-Q23 WeakPolarHBondContact O-CB 3.35Å; K19-Q23 WeakPolarHBondContact O-CG 3.1Å; K19-Q23 PolarHBondContact O-N 2.77Å; I20-Q23 PolarHBondContact O-N 2.88Å; Q23-T25 VanDerWaalsContact C-N 3.29Å; Q23-T25 PolarHBondContact O-N 3.5Å; Q23-E26 PolarHBondContact O-N 2.78Å; Q23-L27 VanDerWaalsContact O-CB 3.3Å; Q23-L27 WeakPolarHBondContact O-CB 3.48Å; Q23-L27 PolarHBondContact O-N 3.16Å
24L81.1Confident77.9Confident0 Ų055.5 Ų55.50%029%0.286CS..Hα-helixtrans-64.2-36175.7-73.3171.1000112L11 I20 I21 L27 Y28 L51 I54 L55 S58 L76L11-L24 HydrophobicContact CD1-CD2 3.66Å; L11-L24 HydrophobicContact CD1-CG 4.22Å; L11-L24 HydrophobicContact CD2-CD2 4.24Å; L11-L24 HydrophobicContact CD2-CG 3.99Å; I20-L24 HydrophobicContact CG2-CD1 3.77Å; I20-L24 HydrophobicContact CG2-CG 4.33Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 WeakPolarHBondContact O-CG 3.2Å; I20-L24 PolarHBondContact O-N 3.47Å; I21-L24 PolarHBondContact O-N 3.34Å; L24-L27 PolarHBondContact O-N 2.82Å; L24-Y28 PolarHBondContact O-N 3.46Å; L24-L51 HydrophobicContact CD2-CD1 3.74Å; L24-I54 HydrophobicContact CD1-CG2 4.48Å; L24-L55 HydrophobicContact CD1-CD2 4.23Å; L24-L55 HydrophobicContact CD2-CD2 3.86Å; L24-L55 HydrophobicContact CD2-CG 4.49Å; L24-L55 HydrophobicContact CG-CD2 4.48Å; L24-S58 VanDerWaalsContact CD1-OG 3.24Å; L24-S58 WeakPolarHBondContact CD1-OG 3.37Å; L24-L76 HydrophobicContact CB-CD2 3.71Å
25T79.5Confident77.1Confident29 Ų2959.6 Ų59.618%0.17830%0.303CS..Hα-helixtrans-67.6-45.2175.7-53.80000110.3I21 S22 Q23 L27 Y28 Q29I21-T25 WeakPolarHBondContact O-CB 3.25Å; I21-T25 PolarHBondContact O-N 2.89Å; I21-T25 PolarHBondContact O-OG1 2.84Å; S22-T25 PolarHBondContact O-N 2.9Å; Q23-T25 VanDerWaalsContact C-N 3.29Å; Q23-T25 PolarHBondContact O-N 3.5Å; T25-L27 VanDerWaalsContact C-N 3.34Å; T25-L27 PolarHBondContact O-N 3.41Å; T25-Y28 PolarHBondContact O-N 2.89Å; T25-Q29 WeakPolarHBondContact O-CG 3.23Å; T25-Q29 PolarHBondContact O-N 2.66Å
26E83.2Confident76.5Confident80 Ų8059.3 Ų59.337%0.37430%0.303SS..Hα-helixtrans-60.2-44.2173.8-175.3175.7-176.700111.5K3 I7 S22 Q23 Y28 Q29 V30K3-E26 WeakPolarHBondContact CE-OE1 3.36Å; K3-E26 IonicContact NZ-OE1 2.71Å; K3-E26 PolarHBondContact NZ-OE1 3.27Å; I7-E26 HydrophobicContact CD1-CG 4Å; S22-E26 PolarHBondContact O-N 3.36Å; Q23-E26 PolarHBondContact O-N 2.78Å; E26-Y28 VanDerWaalsContact C-N 3.3Å; E26-Y28 PolarHBondContact O-N 2.83Å; E26-Q29 PolarHBondContact O-N 3.42Å; E26-Q29 VanDerWaalsContact O-N 3.17Å; E26-V30 WeakPolarHBondContact O-CG2 3.16Å; E26-V30 PolarHBondContact O-N 2.77Å
27L82.2Confident75.7Confident1 Ų164.2 Ų64.21%0.00532%0.324CS..Hα-helixtrans-60.6-41.4177.4-163153.9000110.9I7 L11 Q23 L24 T25 V30 Y31 L46 L51 F79I7-L27 HydrophobicContact CB-CD1 4.24Å; I7-L27 HydrophobicContact CG2-CB 4.04Å; I7-L27 HydrophobicContact CG2-CD1 3.87Å; I7-L27 HydrophobicContact CG2-CG 4.4Å; L11-L27 HydrophobicContact CD1-CD1 4.11Å; Q23-L27 VanDerWaalsContact O-CB 3.3Å; Q23-L27 WeakPolarHBondContact O-CB 3.48Å; Q23-L27 PolarHBondContact O-N 3.16Å; L24-L27 PolarHBondContact O-N 2.82Å; T25-L27 VanDerWaalsContact C-N 3.34Å; T25-L27 PolarHBondContact O-N 3.41Å; L27-V30 PolarHBondContact O-N 3.5Å; L27-Y31 VanDerWaalsContact O-CB 3.27Å; L27-Y31 WeakPolarHBondContact O-CB 3.11Å; L27-Y31 PolarHBondContact O-N 2.93Å; L27-L46 HydrophobicContact CD2-CD2 4.47Å; L27-L51 HydrophobicContact CD2-CD2 4.06Å; L27-F79 HydrophobicContact CD2-CE1 3.46Å; L27-F79 VanDerWaalsContact CD2-CE1 3.46Å; L27-F79 HydrophobicContact CD2-CE2 4.35Å; L27-F79 HydrophobicContact CD2-CZ 3.19Å
28Y82.2Confident75.4Confident20 Ų2064 Ų648%0.07832%0.322CS..Hα-helixtrans-66.2-38.6176.1-174.8-135.8000112.7L24 T25 E26 Y31 L32 Q75 C78 F79 D82L24-Y28 PolarHBondContact O-N 3.46Å; T25-Y28 PolarHBondContact O-N 2.89Å; E26-Y28 VanDerWaalsContact C-N 3.3Å; E26-Y28 PolarHBondContact O-N 2.83Å; Y28-Y31 HydrophobicContact CD2-CD1 4.2Å; Y28-Y31 HydrophobicContact CE2-CD1 4.27Å; Y28-Y31 WeakPolarHBondContact O-CB 3.34Å; Y28-Y31 PolarHBondContact O-N 2.85Å; Y28-L32 HydrophobicContact CD1-CD1 4.09Å; Y28-L32 HydrophobicContact CD2-CD1 4.35Å; Y28-L32 HydrophobicContact CD2-CG 4.12Å; Y28-L32 HydrophobicContact CE1-CD1 3.73Å; Y28-L32 HydrophobicContact CE1-CG 4.4Å; Y28-L32 HydrophobicContact CE2-CD1 4.04Å; Y28-L32 HydrophobicContact CE2-CD2 4.01Å; Y28-L32 HydrophobicContact CE2-CG 3.79Å; Y28-L32 HydrophobicContact CG-CD1 4.4Å; Y28-L32 WeakPolarHBondContact O-CG 3.37Å; Y28-L32 PolarHBondContact O-N 3.38Å; Y28-Q75 HydrophobicContact CD1-CB 4.08Å; Y28-Q75 HydrophobicContact CE1-CB 4.03Å; Y28-Q75 HydrophobicContact CE1-CG 4.5Å; Y28-C78 WeakPolarHBondContact OH-CB 3.32Å; Y28-F79 HydrophobicContact CD1-CB 4.37Å; Y28-F79 HydrophobicContact CD2-CB 3.37Å; Y28-F79 HydrophobicContact CD2-CD1 4.09Å; Y28-F79 AromaticContact CD2-CD2 3.3Å; Y28-F79 HydrophobicContact CD2-CD2 3.3Å; Y28-F79 HydrophobicContact CD2-CE2 4.11Å; Y28-F79 AromaticContact CD2-CG 3.31Å; Y28-F79 HydrophobicContact CD2-CG 3.31Å; Y28-F79 HydrophobicContact CE2-CB 3.56Å; Y28-F79 AromaticContact CE2-CD2 3.75Å; Y28-F79 HydrophobicContact CE2-CD2 3.75Å; Y28-F79 AromaticContact CE2-CG 3.89Å; Y28-F79 HydrophobicContact CE2-CG 3.89Å; Y28-F79 HydrophobicContact CG-CB 3.8Å; Y28-F79 HydrophobicContact CG-CD1 4.3Å; Y28-F79 HydrophobicContact CG-CD2 4.27Å; Y28-F79 AromaticContact CG-CG 3.88Å; Y28-F79 HydrophobicContact CG-CG 3.88Å; Y28-D82 PolarHBondContact OH-OD2 3.48Å
29Q81.8Confident75.1Confident80 Ų8062.7 Ų62.737%0.37431%0.31SS..Hα-helixtrans-63.4-43.2174.5-66-56.6-39.100111.6T25 E26 Y31 L32 Q33T25-Q29 WeakPolarHBondContact O-CG 3.23Å; T25-Q29 PolarHBondContact O-N 2.66Å; E26-Q29 PolarHBondContact O-N 3.42Å; E26-Q29 VanDerWaalsContact O-N 3.17Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Q29-L32 PolarHBondContact O-N 3.08Å; Q29-Q33 WeakPolarHBondContact O-CG 3.48Å; Q29-Q33 PolarHBondContact O-N 3.17Å
30V80.4Confident74.6Confident15 Ų1562.1 Ų62.19%0.09131%0.309CS..Hα-helixtrans-64.6-40.3175.2174.90000110.9K3 I4 E26 L27 Q33 E34K3-V30 HydrophobicContact CD-CG2 4.13Å; I4-V30 HydrophobicContact CD1-CG1 4.28Å; I4-V30 HydrophobicContact CG1-CG1 3.8Å; E26-V30 WeakPolarHBondContact O-CG2 3.16Å; E26-V30 PolarHBondContact O-N 2.77Å; L27-V30 PolarHBondContact O-N 3.5Å; V30-Q33 PolarHBondContact O-N 2.98Å; V30-E34 PolarHBondContact O-N 3.1Å
31Y79.4Confident74.2Confident3 Ų367.8 Ų67.81%0.01233%0.332CS..Hα-helixtrans-60.5-46.1176.2-179.7-95.2000112L27 Y28 Q29 Q33 E34 H39 I42 N43 L46 F79 D82L27-Y31 VanDerWaalsContact O-CB 3.27Å; L27-Y31 WeakPolarHBondContact O-CB 3.11Å; L27-Y31 PolarHBondContact O-N 2.93Å; Y28-Y31 HydrophobicContact CD2-CD1 4.2Å; Y28-Y31 HydrophobicContact CE2-CD1 4.27Å; Y28-Y31 WeakPolarHBondContact O-CB 3.34Å; Y28-Y31 PolarHBondContact O-N 2.85Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-Q33 PolarHBondContact O-N 2.91Å; Y31-E34 PolarHBondContact O-N 2.84Å; Y31-H39 AromaticContact CE1-CD2 3.97Å; Y31-H39 AromaticContact CE1-NE2 3.65Å; Y31-H39 AromaticContact CZ-CD2 3.59Å; Y31-H39 AromaticContact CZ-NE2 3.69Å; Y31-H39 PolarHBondContact OH-CD2 3.43Å; Y31-I42 HydrophobicContact CD2-CG2 3.87Å; Y31-I42 HydrophobicContact CE2-CG2 3.94Å; Y31-N43 VanDerWaalsContact CE2-OD1 3.23Å; Y31-N43 WeakPolarHBondContact CE2-OD1 3.46Å; Y31-N43 PolarHBondContact OH-ND2 3.35Å; Y31-N43 PolarHBondContact OH-OD1 2.96Å; Y31-L46 HydrophobicContact CD2-CD1 4.16Å; Y31-L46 HydrophobicContact CE2-CD1 4.24Å; Y31-F79 AromaticContact CD1-CD2 3.92Å; Y31-F79 HydrophobicContact CD1-CD2 3.92Å; Y31-F79 AromaticContact CD1-CE2 3.71Å; Y31-F79 HydrophobicContact CD1-CE2 3.71Å; Y31-F79 AromaticContact CD2-CE2 3.76Å; Y31-F79 HydrophobicContact CD2-CE2 3.76Å; Y31-F79 HydrophobicContact CD2-CZ 4.45Å; Y31-F79 HydrophobicContact CE1-CD2 4.22Å; Y31-F79 HydrophobicContact CE1-CE2 4.11Å; Y31-F79 HydrophobicContact CE2-CE2 4.14Å; Y31-F79 HydrophobicContact CG-CD2 4.19Å; Y31-F79 AromaticContact CG-CE2 3.51Å; Y31-F79 HydrophobicContact CG-CE2 3.51Å; Y31-F79 HydrophobicContact CG-CZ 4.34Å; Y31-D82 HydrophobicContact CE1-CB 4.09Å
32L75.7Confident74Confident50 Ų5067.6 Ų67.626%0.26233%0.332SS..Hα-helixtrans-64.3-26.8177.7-75.9172.5000113.5Y28 Q29 K35Y28-L32 HydrophobicContact CD1-CD1 4.09Å; Y28-L32 HydrophobicContact CD2-CD1 4.35Å; Y28-L32 HydrophobicContact CD2-CG 4.12Å; Y28-L32 HydrophobicContact CE1-CD1 3.73Å; Y28-L32 HydrophobicContact CE1-CG 4.4Å; Y28-L32 HydrophobicContact CE2-CD1 4.04Å; Y28-L32 HydrophobicContact CE2-CD2 4.01Å; Y28-L32 HydrophobicContact CE2-CG 3.79Å; Y28-L32 HydrophobicContact CG-CD1 4.4Å; Y28-L32 WeakPolarHBondContact O-CG 3.37Å; Y28-L32 PolarHBondContact O-N 3.38Å; Q29-L32 PolarHBondContact O-N 3.08Å; L32-K35 WeakPolarHBondContact O-CB 3.21Å; L32-K35 WeakPolarHBondContact O-CG 3.31Å
33Q77.2Confident73.6Confident155 Ų15563.8 Ų63.872%0.72431%0.305SS*.Hα-helixtrans-74.5-29.6178.1-74.4173.8-4.700112.9Q29 V30 Y31 K35Q29-Q33 WeakPolarHBondContact O-CG 3.48Å; Q29-Q33 PolarHBondContact O-N 3.17Å; V30-Q33 PolarHBondContact O-N 2.98Å; Y31-Q33 PolarHBondContact O-N 2.91Å; Q33-K35 PolarHBondContact O-N 3.28Å
34E70.2Confident73.1Confident63 Ų6364.9 Ų64.929%0.29431%0.312SS..SBendtrans-82.533.1-176.8-71.1-101.8-163.100113.1M1 V30 Y31 N36 H39 I42M1-E34 PolarHBondContact N-OE1 3.2Å; V30-E34 PolarHBondContact O-N 3.1Å; Y31-E34 PolarHBondContact O-N 2.84Å; E34-N36 PolarHBondContact O-N 3.29Å; E34-H39 PolarHBondContact O-CE1 3.46Å; E34-H39 PolarHBondContact O-ND1 3.46Å; E34-I42 HydrophobicContact CB-CD1 4.05Å; E34-I42 HydrophobicContact CG-CD1 4.44Å
35K56.4Low72.7Confident135 Ų13567.3 Ų67.359%0.58732%0.321SS*.THydrogen-bonded Turntrans-64.2-9.1-148.5-135177.7-178.21790120L32 Q33 H39L32-K35 WeakPolarHBondContact O-CB 3.21Å; L32-K35 WeakPolarHBondContact O-CG 3.31Å; Q33-K35 PolarHBondContact O-N 3.28Å; K35-H39 WeakPolarHBondContact CA-CE1 3.36Å
36N59.9Low72.4Confident153 Ų15366 Ų6682%0.81831%0.313SS*.THydrogen-bonded Turntrans-124.3-39.1-166.1-68.9-15.4000117.8E34E34-N36 PolarHBondContact O-N 3.29Å
37E59.1Low71.8Confident181 Ų18163.5 Ų63.585%0.84630%0.302SS*.THydrogen-bonded Turntrans-117.1-27.1-169.7-67.5-177.1172.800114.8
38N65.8Low71.3Confident77 Ų7769.7 Ų69.741%0.41234%0.335SS..SBendtrans-100.73.5-171.7-68.9-34.6000114.9E40 F41 I42N38-E40 PolarHBondContact O-N 2.88Å; N38-F41 PolarHBondContact O-N 2.9Å; N38-I42 HydrophobicContact CB-CD1 3.83Å; N38-I42 HydrophobicContact CB-CG1 4.27Å; N38-I42 WeakPolarHBondContact O-CB 3.38Å; N38-I42 VanDerWaalsContact O-CG1 3.25Å; N38-I42 WeakPolarHBondContact O-CG1 3.44Å; N38-I42 PolarHBondContact O-N 2.83Å
39H68.6Low70.8Confident34 Ų3470.6 Ų70.616%0.15734%0.341CS..Hα-helixtrans-59.7-42-171.6-88.250.6000112.8Y31 E34 K35 F41 I42 N43Y31-H39 AromaticContact CE1-CD2 3.97Å; Y31-H39 AromaticContact CE1-NE2 3.65Å; Y31-H39 AromaticContact CZ-CD2 3.59Å; Y31-H39 AromaticContact CZ-NE2 3.69Å; Y31-H39 PolarHBondContact OH-CD2 3.43Å; E34-H39 PolarHBondContact O-CE1 3.46Å; E34-H39 PolarHBondContact O-ND1 3.46Å; K35-H39 WeakPolarHBondContact CA-CE1 3.36Å; H39-F41 PolarHBondContact O-N 3.32Å; H39-I42 PolarHBondContact O-N 2.94Å; H39-N43 WeakPolarHBondContact O-CB 3.28Å; H39-N43 PolarHBondContact O-N 2.9Å; H39-N43 PolarHBondContact O-ND2 3.04Å
40E67.8Low70.4Confident96 Ų9671.2 Ų71.245%0.44935%0.347SS..Hα-helixtrans-63.3-44.8179.3-172.8173.9-172.900112N38 N43 N44N38-E40 PolarHBondContact O-N 2.88Å; E40-N43 PolarHBondContact O-N 3.41Å; E40-N44 WeakPolarHBondContact O-CB 3.48Å; E40-N44 VanDerWaalsContact O-CG 3.28Å; E40-N44 PolarHBondContact O-N 3.48Å; E40-N44 PolarHBondContact O-ND2 2.84Å
41F70.7Confident70.5Confident137 Ų13770.5 Ų70.560%0.60134%0.343SS*.Hα-helixtrans-65.2-44.2177.9-175-102.2000111.9M1 N38 H39 Y45M1-F41 HydrophobicContact CE-CD1 4.35Å; M1-F41 HydrophobicContact CE-CE1 3.95Å; N38-F41 PolarHBondContact O-N 2.9Å; H39-F41 PolarHBondContact O-N 3.32Å; F41-Y45 WeakPolarHBondContact O-CB 3.44Å; F41-Y45 PolarHBondContact O-N 3.38Å
42I71.3Confident70.4Confident0 Ų071.3 Ų71.30%035%0.349CS..Hα-helixtrans-62-47176-66.1166.6000109.9M1 I4 Y31 E34 N38 H39 N44 Y45 L46M1-I42 HydrophobicContact SD-CD1 4.47Å; M1-I42 HydrophobicContact SD-CG1 3.71Å; I4-I42 HydrophobicContact CD1-CD1 4.14Å; I4-I42 HydrophobicContact CD1-CG1 4.37Å; I4-I42 HydrophobicContact CD1-CG2 4.11Å; Y31-I42 HydrophobicContact CD2-CG2 3.87Å; Y31-I42 HydrophobicContact CE2-CG2 3.94Å; E34-I42 HydrophobicContact CB-CD1 4.05Å; E34-I42 HydrophobicContact CG-CD1 4.44Å; N38-I42 HydrophobicContact CB-CD1 3.83Å; N38-I42 HydrophobicContact CB-CG1 4.27Å; N38-I42 WeakPolarHBondContact O-CB 3.38Å; N38-I42 VanDerWaalsContact O-CG1 3.25Å; N38-I42 WeakPolarHBondContact O-CG1 3.44Å; N38-I42 PolarHBondContact O-N 2.83Å; H39-I42 PolarHBondContact O-N 2.94Å; I42-N44 PolarHBondContact O-N 3.45Å; I42-Y45 WeakPolarHBondContact O-CB 3.48Å; I42-Y45 PolarHBondContact O-N 3.23Å; I42-Y45 VanDerWaalsContact O-N 3.16Å; I42-L46 HydrophobicContact CG2-CD1 3.78Å; I42-L46 HydrophobicContact CG2-CG 4.06Å; I42-L46 WeakPolarHBondContact O-CB 3.41Å; I42-L46 VanDerWaalsContact O-CG 3.25Å; I42-L46 WeakPolarHBondContact O-CG 3.3Å; I42-L46 PolarHBondContact O-N 3.43Å
43N72.8Confident70.5Confident0 Ų072.1 Ų72.10%035%0.353CS..Hα-helixtrans-62.4-44.7-179.1-71.4-27.6000112Y31 H39 E40 Y45 L46 I47 S86Y31-N43 VanDerWaalsContact CE2-OD1 3.23Å; Y31-N43 WeakPolarHBondContact CE2-OD1 3.46Å; Y31-N43 PolarHBondContact OH-ND2 3.35Å; Y31-N43 PolarHBondContact OH-OD1 2.96Å; H39-N43 WeakPolarHBondContact O-CB 3.28Å; H39-N43 PolarHBondContact O-N 2.9Å; H39-N43 PolarHBondContact O-ND2 3.04Å; E40-N43 PolarHBondContact O-N 3.41Å; N43-Y45 VanDerWaalsContact C-N 3.29Å; N43-Y45 PolarHBondContact O-N 2.93Å; N43-L46 PolarHBondContact O-N 3.43Å; N43-I47 WeakPolarHBondContact O-CB 3.08Å; N43-I47 WeakPolarHBondContact O-CG1 3.22Å; N43-I47 PolarHBondContact O-N 2.86Å; N43-S86 WeakPolarHBondContact ND2-CB 3.48Å
44N69.9Low70.7Confident54 Ų5466.4 Ų66.429%0.28933%0.327SS..Hα-helixtrans-61-40.8175.4-72.4-25.5000111.2E40 I42 N48E40-N44 WeakPolarHBondContact O-CB 3.48Å; E40-N44 VanDerWaalsContact O-CG 3.28Å; E40-N44 PolarHBondContact O-N 3.48Å; E40-N44 PolarHBondContact O-ND2 2.84Å; I42-N44 PolarHBondContact O-N 3.45Å; N44-N48 WeakPolarHBondContact O-CB 3.31Å; N44-N48 PolarHBondContact O-N 2.83Å; N44-N48 VanDerWaalsContact O-N 3.07Å; N44-N48 PolarHBondContact O-ND2 3.34Å
45Y73Confident71.2Confident51 Ų5163.4 Ų63.420%0.231%0.313CS..Hα-helixtrans-63-46.1174.2-176.9-103.3000112.4M1 K5 F41 I42 N43 I47 N48 L49M1-Y45 HydrophobicContact CE-CD1 4.22Å; M1-Y45 HydrophobicContact CE-CG 4.36Å; K5-Y45 HydrophobicContact CG-CE1 3.9Å; K5-Y45 WeakPolarHBondContact CG-OH 3.26Å; F41-Y45 WeakPolarHBondContact O-CB 3.44Å; F41-Y45 PolarHBondContact O-N 3.38Å; I42-Y45 WeakPolarHBondContact O-CB 3.48Å; I42-Y45 PolarHBondContact O-N 3.23Å; I42-Y45 VanDerWaalsContact O-N 3.16Å; N43-Y45 VanDerWaalsContact C-N 3.29Å; N43-Y45 PolarHBondContact O-N 2.93Å; Y45-I47 PolarHBondContact O-N 3.25Å; Y45-N48 PolarHBondContact O-N 3.33Å; Y45-L49 HydrophobicContact CD1-CD1 3.94Å; Y45-L49 HydrophobicContact CE1-CD1 3.35Å; Y45-L49 HydrophobicContact CE1-CG 4.46Å; Y45-L49 HydrophobicContact CE2-CD1 4.2Å; Y45-L49 VanDerWaalsContact CZ-CD1 3.5Å; Y45-L49 WeakPolarHBondContact O-CG 3.35Å; Y45-L49 PolarHBondContact O-N 2.93Å
46L73.3Confident72.4Confident0 Ų057 Ų570%029%0.285CS..Hα-helixtrans-65.6-38.2179.7-69.4-179.1000112.7I4 L27 Y31 I42 N43 L49 L51 F79 I83I4-L46 HydrophobicContact CG2-CD2 3.98Å; L27-L46 HydrophobicContact CD2-CD2 4.47Å; Y31-L46 HydrophobicContact CD2-CD1 4.16Å; Y31-L46 HydrophobicContact CE2-CD1 4.24Å; I42-L46 HydrophobicContact CG2-CD1 3.78Å; I42-L46 HydrophobicContact CG2-CG 4.06Å; I42-L46 WeakPolarHBondContact O-CB 3.41Å; I42-L46 VanDerWaalsContact O-CG 3.25Å; I42-L46 WeakPolarHBondContact O-CG 3.3Å; I42-L46 PolarHBondContact O-N 3.43Å; N43-L46 PolarHBondContact O-N 3.43Å; L46-L49 PolarHBondContact O-N 3.43Å; L46-L51 HydrophobicContact CB-CB 4.29Å; L46-L51 HydrophobicContact CB-CD2 4.08Å; L46-L51 HydrophobicContact CD1-CD2 3.92Å; L46-L51 HydrophobicContact CD2-CD2 3.57Å; L46-L51 HydrophobicContact CG-CD2 4.03Å; L46-L51 VanDerWaalsContact O-CB 3.26Å; L46-L51 WeakPolarHBondContact O-CB 3.27Å; L46-L51 PolarHBondContact O-N 2.86Å; L46-L51 VanDerWaalsContact O-N 3.1Å; L46-F79 HydrophobicContact CD1-CE2 4.26Å; L46-F79 HydrophobicContact CD1-CZ 3.95Å; L46-I83 HydrophobicContact CD1-CD1 4.24Å; L46-I83 HydrophobicContact CD1-CG1 4.35Å
47I70.8Confident73.4Confident29 Ų2956.3 Ų56.315%0.14928%0.275CS..Hα-helixtrans-66.1-44.5175.9-68.2165.6000110.3N43 Y45 L49 N50 P52 I83 S87 T90N43-I47 WeakPolarHBondContact O-CB 3.08Å; N43-I47 WeakPolarHBondContact O-CG1 3.22Å; N43-I47 PolarHBondContact O-N 2.86Å; Y45-I47 PolarHBondContact O-N 3.25Å; I47-L49 PolarHBondContact O-N 2.92Å; I47-N50 PolarHBondContact O-N 2.64Å; I47-P52 HydrophobicContact CG1-CG 4.2Å; I47-I83 HydrophobicContact CD1-CG2 4.08Å; I47-I83 HydrophobicContact CG1-CG2 3.72Å; I47-S87 WeakPolarHBondContact CD1-OG 3.33Å; I47-T90 HydrophobicContact CD1-CG2 4.08Å; I47-T90 HydrophobicContact CG2-CG2 4.27Å
48N71.5Confident74.5Confident131 Ų13147.8 Ų47.870%0.70124%0.235SC*.Hα-helixtrans-60.6-27.8177.7-72.3-17.6000112.7N44 Y45 N50N44-N48 WeakPolarHBondContact O-CB 3.31Å; N44-N48 PolarHBondContact O-N 2.83Å; N44-N48 VanDerWaalsContact O-N 3.07Å; N44-N48 PolarHBondContact O-ND2 3.34Å; Y45-N48 PolarHBondContact O-N 3.33Å; N48-N50 VanDerWaalsContact C-N 3.29Å; N48-N50 PolarHBondContact O-N 3.29Å
49L70.9Confident75.3Confident39 Ų3944.1 Ų44.120%0.20422%0.216CC..THydrogen-bonded Turntrans-86.19.2175.2-67.3177.6000114.3T8 Y45 L46 I47 L51T8-L49 HydrophobicContact CG2-CB 4.11Å; T8-L49 HydrophobicContact CG2-CD1 3.47Å; T8-L49 VanDerWaalsContact CG2-CD1 3.47Å; T8-L49 HydrophobicContact CG2-CG 4.42Å; Y45-L49 HydrophobicContact CD1-CD1 3.94Å; Y45-L49 HydrophobicContact CE1-CD1 3.35Å; Y45-L49 HydrophobicContact CE1-CG 4.46Å; Y45-L49 HydrophobicContact CE2-CD1 4.2Å; Y45-L49 VanDerWaalsContact CZ-CD1 3.5Å; Y45-L49 WeakPolarHBondContact O-CG 3.35Å; Y45-L49 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 3.43Å; I47-L49 PolarHBondContact O-N 2.92Å; L49-L51 PolarHBondContact O-N 3.42Å
50N74.7Confident75.9Confident93 Ų9345.3 Ų45.350%0.49722%0.22SC..THydrogen-bonded Turntrans57.624.3-176.2-70.4-46.3000114I47 N48 P52 L53 I54I47-N50 PolarHBondContact O-N 2.64Å; N48-N50 VanDerWaalsContact C-N 3.29Å; N48-N50 PolarHBondContact O-N 3.29Å; N50-P52 VanDerWaalsContact C-CD 3.46Å; N50-L53 WeakPolarHBondContact O-CB 3.38Å; N50-L53 PolarHBondContact O-N 3.39Å; N50-I54 PolarHBondContact O-N 3.49Å
51L80.7Confident76.4Confident0 Ų042.4 Ų42.40%021%0.207CC..Hα-helixtrans-57.2-39.8179.3-172.368.3000113.3L11 L24 L27 L46 L49 L53 I54 L55 F79 I83L11-L51 HydrophobicContact CD1-CD1 4.31Å; L24-L51 HydrophobicContact CD2-CD1 3.74Å; L27-L51 HydrophobicContact CD2-CD2 4.06Å; L46-L51 HydrophobicContact CB-CB 4.29Å; L46-L51 HydrophobicContact CB-CD2 4.08Å; L46-L51 HydrophobicContact CD1-CD2 3.92Å; L46-L51 HydrophobicContact CD2-CD2 3.57Å; L46-L51 HydrophobicContact CG-CD2 4.03Å; L46-L51 VanDerWaalsContact O-CB 3.26Å; L46-L51 WeakPolarHBondContact O-CB 3.27Å; L46-L51 PolarHBondContact O-N 2.86Å; L46-L51 VanDerWaalsContact O-N 3.1Å; L49-L51 PolarHBondContact O-N 3.42Å; L51-L53 PolarHBondContact O-N 3.39Å; L51-L53 VanDerWaalsContact O-N 3.16Å; L51-I54 HydrophobicContact CD1-CB 4.39Å; L51-I54 PolarHBondContact O-N 3.06Å; L51-L55 HydrophobicContact CD2-CD1 4.48Å; L51-L55 HydrophobicContact CG-CD1 4.19Å; L51-L55 HydrophobicContact CG-CG 4.25Å; L51-L55 WeakPolarHBondContact O-CG 3.3Å; L51-L55 PolarHBondContact O-N 3.11Å; L51-F79 HydrophobicContact CD2-CE1 3.84Å; L51-F79 HydrophobicContact CD2-CZ 3.84Å; L51-I83 HydrophobicContact CD2-CD1 4.17Å
52P77.5Confident76.3Confident20 Ų2039 Ų3913%0.1320%0.195CC..Hα-helixtrans-55.2-34.9175.2-28.336.4000113.5I47 N50 C56 L80 I83I47-P52 HydrophobicContact CG1-CG 4.2Å; N50-P52 VanDerWaalsContact C-CD 3.46Å; P52-C56 WeakPolarHBondContact O-CB 3.38Å; P52-C56 PolarHBondContact O-N 3.35Å; P52-C56 PolarHBondContact O-SG 3.12Å; P52-L80 HydrophobicContact CB-CD1 3.76Å; P52-I83 HydrophobicContact CG-CG2 4.09Å
53L78.9Confident76.3Confident67 Ų6739 Ų3935%0.35120%0.195SC..Hα-helixtrans-74.3-38178.3-173.762000111.6N50 L51 C56 K57 I99N50-L53 WeakPolarHBondContact O-CB 3.38Å; N50-L53 PolarHBondContact O-N 3.39Å; L51-L53 PolarHBondContact O-N 3.39Å; L51-L53 VanDerWaalsContact O-N 3.16Å; L53-C56 PolarHBondContact O-N 2.98Å; L53-K57 WeakPolarHBondContact O-CG 3.22Å; L53-K57 PolarHBondContact O-N 3.45Å; L53-I99 HydrophobicContact CD1-CD1 3.88Å; L53-I99 HydrophobicContact CD1-CG2 3.88Å
54I80.2Confident76Confident35 Ų3541 Ų4118%0.17921%0.209CC..Hα-helixtrans-62.6-49173.2-60.7172.7000109.4L24 N50 L51 C56 K57 S58L24-I54 HydrophobicContact CD1-CG2 4.48Å; N50-I54 PolarHBondContact O-N 3.49Å; L51-I54 HydrophobicContact CD1-CB 4.39Å; L51-I54 PolarHBondContact O-N 3.06Å; I54-C56 VanDerWaalsContact C-N 3.31Å; I54-C56 PolarHBondContact O-N 3.35Å; I54-K57 WeakPolarHBondContact O-CA 3.47Å; I54-K57 WeakPolarHBondContact O-CB 3.35Å; I54-K57 PolarHBondContact O-N 3.28Å; I54-S58 PolarHBondContact O-N 3.34Å; I54-S58 PolarHBondContact O-OG 3.38Å; I54-S58 VanDerWaalsContact O-OG 3.12Å
55L81.7Confident75.8Confident0 Ų046.2 Ų46.20%023%0.232CC..Hα-helixtrans-55.6-44.9174.2-73171000111.6L24 L51 K57 S58 I59 L76 F79 L80 I83L24-L55 HydrophobicContact CD1-CD2 4.23Å; L24-L55 HydrophobicContact CD2-CD2 3.86Å; L24-L55 HydrophobicContact CD2-CG 4.49Å; L24-L55 HydrophobicContact CG-CD2 4.48Å; L51-L55 HydrophobicContact CD2-CD1 4.48Å; L51-L55 HydrophobicContact CG-CD1 4.19Å; L51-L55 HydrophobicContact CG-CG 4.25Å; L51-L55 WeakPolarHBondContact O-CG 3.3Å; L51-L55 PolarHBondContact O-N 3.11Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 2.9Å; L55-S58 PolarHBondContact O-N 3.29Å; L55-I59 WeakPolarHBondContact O-CB 3.3Å; L55-I59 WeakPolarHBondContact O-CD1 3.44Å; L55-I59 WeakPolarHBondContact O-CG1 3.3Å; L55-I59 PolarHBondContact O-N 3.47Å; L55-L76 HydrophobicContact CD2-CB 4.41Å; L55-L76 HydrophobicContact CD2-CD2 3.91Å; L55-F79 HydrophobicContact CD1-CD1 3.75Å; L55-F79 HydrophobicContact CD1-CE1 4.03Å; L55-F79 HydrophobicContact CD1-CG 4.28Å; L55-F79 HydrophobicContact CD2-CD1 3.76Å; L55-F79 HydrophobicContact CD2-CE1 4.26Å; L55-F79 HydrophobicContact CG-CD1 4.39Å; L55-L80 HydrophobicContact CB-CB 4.45Å; L55-L80 HydrophobicContact CB-CD1 4.31Å; L55-L80 HydrophobicContact CD1-CB 4.17Å; L55-L80 HydrophobicContact CD1-CD1 4.33Å; L55-I83 HydrophobicContact CD1-CD1 3.67Å
56C82Confident75.1Confident1 Ų145.4 Ų45.41%0.00723%0.231CC..Hα-helixtrans-61.5-37.2175.9-73.80000112.9P52 L53 I54 K60 L80 I99P52-C56 WeakPolarHBondContact O-CB 3.38Å; P52-C56 PolarHBondContact O-N 3.35Å; P52-C56 PolarHBondContact O-SG 3.12Å; L53-C56 PolarHBondContact O-N 2.98Å; I54-C56 VanDerWaalsContact C-N 3.31Å; I54-C56 PolarHBondContact O-N 3.35Å; C56-K60 WeakPolarHBondContact O-CB 3.25Å; C56-K60 WeakPolarHBondContact O-CG 3.33Å; C56-K60 PolarHBondContact O-N 2.94Å; C56-L80 VanDerWaalsContact SG-CD2 3.54Å; C56-I99 HydrophobicContact CB-CG2 3.71Å
57K80.9Confident74.3Confident137 Ų13752 Ų5260%0.59627%0.265SS*.Hα-helixtrans-67.3-45.9174.7-74.2177.8179.61800110.9L53 I54 L55 K60 Q61L53-K57 WeakPolarHBondContact O-CG 3.22Å; L53-K57 PolarHBondContact O-N 3.45Å; I54-K57 WeakPolarHBondContact O-CA 3.47Å; I54-K57 WeakPolarHBondContact O-CB 3.35Å; I54-K57 PolarHBondContact O-N 3.28Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 2.9Å; K57-K60 CarbonylContact O-C 3.49Å; K57-K60 WeakPolarHBondContact O-CA 3.35Å; K57-K60 WeakPolarHBondContact O-CB 3.18Å; K57-K60 PolarHBondContact O-N 2.92Å; K57-K60 VanDerWaalsContact O-N 3.12Å; K57-Q61 PolarHBondContact O-N 3.23Å
58S82Confident73.7Confident3 Ų356.7 Ų56.72%0.02129%0.287CS..Hα-helixtrans-65.5-41179.3-52.50000112.4L24 I54 L55 K60 Q61 F63L24-S58 VanDerWaalsContact CD1-OG 3.24Å; L24-S58 WeakPolarHBondContact CD1-OG 3.37Å; I54-S58 PolarHBondContact O-N 3.34Å; I54-S58 PolarHBondContact O-OG 3.38Å; I54-S58 VanDerWaalsContact O-OG 3.12Å; L55-S58 PolarHBondContact O-N 3.29Å; S58-K60 PolarHBondContact O-N 3.4Å; S58-Q61 VanDerWaalsContact O-CB 3.24Å; S58-Q61 WeakPolarHBondContact O-CB 3.26Å; S58-Q61 PolarHBondContact O-N 2.95Å; S58-F63 VanDerWaalsContact O-CE2 3.26Å; S58-F63 WeakPolarHBondContact O-CE2 3.25Å; S58-F63 WeakPolarHBondContact O-CZ 3.35Å
59I83Confident73.8Confident0 Ų054.2 Ų54.20%027%0.274CS..Hα-helixtrans-60.9-33.2173.4-69.6164.6000111.1L55 Q61 L76 L80 L107L55-I59 WeakPolarHBondContact O-CB 3.3Å; L55-I59 WeakPolarHBondContact O-CD1 3.44Å; L55-I59 WeakPolarHBondContact O-CG1 3.3Å; L55-I59 PolarHBondContact O-N 3.47Å; I59-Q61 PolarHBondContact O-N 3.09Å; I59-L76 HydrophobicContact CD1-CB 4.36Å; I59-L76 HydrophobicContact CG1-CB 3.95Å; I59-L80 HydrophobicContact CD1-CB 4.38Å; I59-L80 HydrophobicContact CD1-CD2 3.86Å; I59-L107 HydrophobicContact CG2-CB 3.94Å; I59-L107 HydrophobicContact CG2-CD2 3.97Å; I59-L107 HydrophobicContact CG2-CG 4.4Å
60K80.3Confident74.2Confident59 Ų5952.8 Ų52.826%0.25727%0.266SS..THydrogen-bonded Turntrans-77.35.4173.4-70.3175.8-171.2-1730113.3C56 K57 S58 S103 I106 R110C56-K60 WeakPolarHBondContact O-CB 3.25Å; C56-K60 WeakPolarHBondContact O-CG 3.33Å; C56-K60 PolarHBondContact O-N 2.94Å; K57-K60 CarbonylContact O-C 3.49Å; K57-K60 WeakPolarHBondContact O-CA 3.35Å; K57-K60 WeakPolarHBondContact O-CB 3.18Å; K57-K60 PolarHBondContact O-N 2.92Å; K57-K60 VanDerWaalsContact O-N 3.12Å; S58-K60 PolarHBondContact O-N 3.4Å; K60-S103 VanDerWaalsContact CE-CA 3.42Å; K60-I106 HydrophobicContact CD-CD1 3.99Å; K60-I106 HydrophobicContact CG-CD1 4.04Å; K60-I106 HydrophobicContact CG-CG2 4.44Å; K60-R110 PolarHBondContact O-NH1 2.87Å; K60-R110 PolarHBondContact O-NH2 2.78Å
61Q78.1Confident74.5Confident34 Ų3453.6 Ų53.616%0.15927%0.265CS..SBendtrans-89.5158.7173.5-65.5174.8-900112.9D17 K57 S58 I59 F63 R110D17-Q61 PolarHBondContact OD1-NE2 3.03Å; K57-Q61 PolarHBondContact O-N 3.23Å; S58-Q61 VanDerWaalsContact O-CB 3.24Å; S58-Q61 WeakPolarHBondContact O-CB 3.26Å; S58-Q61 PolarHBondContact O-N 2.95Å; I59-Q61 PolarHBondContact O-N 3.09Å; Q61-F63 VanDerWaalsContact O-CD2 3.25Å; Q61-F63 WeakPolarHBondContact O-CD2 3.34Å; Q61-F63 PolarHBondContact O-N 3.41Å; Q61-R110 PolarHBondContact O-NH1 3.11Å
62N69.5Low74.5Confident65 Ų6555 Ų5535%0.34827%0.272SS..  trans-87.991.9-174.2-173.710.9000111.5S64 Q65N62-S64 PolarHBondContact O-N 3.46Å; N62-S64 WeakPolarHBondContact OD1-CB 3.49Å; N62-S64 PolarHBondContact OD1-N 2.89Å; N62-S64 PolarHBondContact OD1-OG 3.26Å; N62-Q65 PolarHBondContact O-N 3.15Å
63F70.4Confident74.9Confident0 Ų054.1 Ų54.10%027%0.266CS..THydrogen-bonded Turntrans-63.9-8178-67.6-94.3000114.6I21 S58 Q61 Q65 I66 W70 I72 A73 L76I21-F63 HydrophobicContact CD1-CD1 4.35Å; I21-F63 HydrophobicContact CD1-CE1 3.77Å; I21-F63 HydrophobicContact CD1-CZ 4.17Å; I21-F63 HydrophobicContact CG1-CE1 4.25Å; I21-F63 HydrophobicContact CG2-CE1 4.1Å; S58-F63 VanDerWaalsContact O-CE2 3.26Å; S58-F63 WeakPolarHBondContact O-CE2 3.25Å; S58-F63 WeakPolarHBondContact O-CZ 3.35Å; Q61-F63 VanDerWaalsContact O-CD2 3.25Å; Q61-F63 WeakPolarHBondContact O-CD2 3.34Å; Q61-F63 PolarHBondContact O-N 3.41Å; F63-Q65 PolarHBondContact O-N 3.41Å; F63-I66 HydrophobicContact CD1-CD1 4.45Å; F63-I66 PolarHBondContact O-N 2.91Å; F63-I66 VanDerWaalsContact O-O 3.12Å; F63-W70 HydrophobicContact CB-CD2 4.21Å; F63-W70 HydrophobicContact CB-CE3 4.2Å; F63-W70 HydrophobicContact CB-CH2 4.16Å; F63-W70 HydrophobicContact CB-CZ2 4.09Å; F63-W70 HydrophobicContact CB-CZ3 4.22Å; F63-W70 HydrophobicContact CD2-CZ3 4.41Å; F63-I72 HydrophobicContact CE1-CB 4.46Å; F63-I72 HydrophobicContact CE1-CG2 4.15Å; F63-A73 HydrophobicContact CD1-CB 4.16Å; F63-A73 HydrophobicContact CD2-CB 3.57Å; F63-A73 HydrophobicContact CE1-CB 4.13Å; F63-A73 HydrophobicContact CE2-CB 3.55Å; F63-A73 HydrophobicContact CG-CB 3.9Å; F63-A73 HydrophobicContact CZ-CB 3.85Å; F63-L76 HydrophobicContact CE1-CD1 4.35Å; F63-L76 HydrophobicContact CZ-CD1 3.98Å
64S67.1Low75.1Confident44 Ų4453 Ų5331%0.30826%0.257SS..THydrogen-bonded Turntrans-61.7-29.5168.5-67.40000112.1N62 W70 N114N62-S64 PolarHBondContact O-N 3.46Å; N62-S64 WeakPolarHBondContact OD1-CB 3.49Å; N62-S64 PolarHBondContact OD1-N 2.89Å; N62-S64 PolarHBondContact OD1-OG 3.26Å; S64-W70 WeakPolarHBondContact OG-CZ2 3.44Å; S64-N114 PolarHBondContact OG-ND2 2.91Å
65Q64.6Low75.2Confident163 Ų16353 Ų5376%0.76226%0.257SS*.THydrogen-bonded Turntrans-81.6-30.2177.7-68.5178.7-25.500112.4N62 F63 N67N62-Q65 PolarHBondContact O-N 3.15Å; F63-Q65 PolarHBondContact O-N 3.41Å; Q65-N67 PolarHBondContact O-N 3.5Å
66I58.4Low75.4Confident34 Ų3453 Ų5317%0.17426%0.257CS..THydrogen-bonded Turntrans-92.586.8-178.3-58.4122.2000108.9I21 F63 Q68 N69I21-I66 HydrophobicContact CD1-CB 4.43Å; I21-I66 HydrophobicContact CD1-CD1 3.24Å; I21-I66 HydrophobicContact CD1-CG1 3.81Å; I21-I66 HydrophobicContact CD1-CG2 4.26Å; F63-I66 HydrophobicContact CD1-CD1 4.45Å; F63-I66 PolarHBondContact O-N 2.91Å; F63-I66 VanDerWaalsContact O-O 3.12Å; I66-Q68 PolarHBondContact O-N 2.99Å; I66-N69 PolarHBondContact O-N 3.47Å
67N56.5Low75.5Confident137 Ų13753 Ų5373%0.73326%0.257SS*.THydrogen-bonded Turntrans48.320.6174.1-67.8-6.2000116.2Q65 N69Q65-N67 PolarHBondContact O-N 3.5Å; N67-N69 PolarHBondContact O-N 2.85Å; N67-N69 VanDerWaalsContact O-N 3.1Å; N67-N69 PolarHBondContact O-OD1 2.92Å
68Q59.6Low75.7Confident129 Ų12947 Ų4760%0.60323%0.232SC*.THydrogen-bonded Turntrans55.520.8-178.8-54.6-177.827.700115.7I66 W70I66-Q68 PolarHBondContact O-N 2.99Å; Q68-W70 PolarHBondContact O-N 3.22Å; Q68-W70 VanDerWaalsContact O-N 3.14Å
69N72Confident75.8Confident79 Ų7946.9 Ų46.942%0.42223%0.231SC..  trans-92.676-173.6-75.4-19.1000112.2I66 N67 F71 I72I66-N69 PolarHBondContact O-N 3.47Å; N67-N69 PolarHBondContact O-N 2.85Å; N67-N69 VanDerWaalsContact O-N 3.1Å; N67-N69 PolarHBondContact O-OD1 2.92Å; N69-F71 PolarHBondContact O-N 3.13Å; N69-F71 VanDerWaalsContact O-N 3.12Å; N69-I72 HydrophobicContact CB-CD1 3.59Å; N69-I72 HydrophobicContact CB-CG1 3.87Å; N69-I72 WeakPolarHBondContact O-CB 3.31Å; N69-I72 PolarHBondContact O-N 2.64Å
70W79.6Confident75.9Confident8 Ų846.9 Ų46.93%0.0323%0.231CC..Hα-helixtrans-58.6-21.1172-69.991.6000113.5F63 S64 Q68 I72 A73 Y74 L107 R110 L111 N114 Y132 L135F63-W70 HydrophobicContact CB-CD2 4.21Å; F63-W70 HydrophobicContact CB-CE3 4.2Å; F63-W70 HydrophobicContact CB-CH2 4.16Å; F63-W70 HydrophobicContact CB-CZ2 4.09Å; F63-W70 HydrophobicContact CB-CZ3 4.22Å; F63-W70 HydrophobicContact CD2-CZ3 4.41Å; S64-W70 WeakPolarHBondContact OG-CZ2 3.44Å; Q68-W70 PolarHBondContact O-N 3.22Å; Q68-W70 VanDerWaalsContact O-N 3.14Å; W70-I72 VanDerWaalsContact C-N 3.28Å; W70-I72 PolarHBondContact O-N 2.76Å; W70-A73 WeakPolarHBondContact O-CB 3.32Å; W70-A73 PolarHBondContact O-N 3.46Å; W70-Y74 PolarHBondContact O-N 3.28Å; W70-Y74 VanDerWaalsContact O-N 3.16Å; W70-L107 HydrophobicContact CE3-CD1 4.02Å; W70-L107 HydrophobicContact CZ3-CD1 3.86Å; W70-R110 HydrophobicContact CH2-CB 3.85Å; W70-R110 HydrophobicContact CZ3-CB 3.97Å; W70-L111 HydrophobicContact CB-CD2 3.86Å; W70-L111 HydrophobicContact CD2-CD2 3.65Å; W70-L111 HydrophobicContact CE3-CD2 3.43Å; W70-L111 VanDerWaalsContact CE3-CD2 3.43Å; W70-L111 HydrophobicContact CE3-CG 4.02Å; W70-L111 HydrophobicContact CG-CD2 3.81Å; W70-L111 HydrophobicContact CZ3-CD2 4.32Å; W70-N114 WeakPolarHBondContact CH2-ND2 3.47Å; W70-N114 WeakPolarHBondContact CZ2-ND2 3.49Å; W70-N114 PolarHBondContact NE1-ND2 2.73Å; W70-Y132 HydrophobicContact CB-CE1 4.36Å; W70-Y132 AromaticContact CD1-CE1 3.62Å; W70-Y132 AromaticContact CD1-CZ 3.99Å; W70-Y132 AromaticContact CG-CE1 3.88Å; W70-Y132 HydrophobicContact CG-CE1 3.88Å; W70-L135 HydrophobicContact CB-CD1 3.82Å
71F81.7Confident75.9Confident111 Ų11144.3 Ų44.349%0.48722%0.22SC..Hα-helixtrans-60.2-36.4171.1-172-103.8000112.7N69 A73 Y74 Q75 L135N69-F71 PolarHBondContact O-N 3.13Å; N69-F71 VanDerWaalsContact O-N 3.12Å; F71-A73 VanDerWaalsContact C-N 3.35Å; F71-A73 PolarHBondContact O-N 3.49Å; F71-Y74 HydrophobicContact CD2-CD1 4.39Å; F71-Y74 HydrophobicContact CE2-CD1 4.26Å; F71-Y74 WeakPolarHBondContact O-CB 3.39Å; F71-Y74 PolarHBondContact O-N 3.42Å; F71-Q75 HydrophobicContact CD1-CG 4.15Å; F71-Q75 HydrophobicContact CE1-CG 3.92Å; F71-Q75 VanDerWaalsContact CE1-NE2 3.29Å; F71-Q75 HydrophobicContact CZ-CG 4.4Å; F71-Q75 WeakPolarHBondContact O-CG 3.46Å; F71-Q75 PolarHBondContact O-N 2.97Å; F71-L135 HydrophobicContact CD2-CD2 4.2Å
72I81.4Confident76Confident30 Ų3045 Ų4515%0.15423%0.225CC..Hα-helixtrans-65-41.9176.2-62.4171.5000110I21 F63 N69 W70 Y74 Q75 L76I21-I72 HydrophobicContact CG2-CG2 3.77Å; F63-I72 HydrophobicContact CE1-CB 4.46Å; F63-I72 HydrophobicContact CE1-CG2 4.15Å; N69-I72 HydrophobicContact CB-CD1 3.59Å; N69-I72 HydrophobicContact CB-CG1 3.87Å; N69-I72 WeakPolarHBondContact O-CB 3.31Å; N69-I72 PolarHBondContact O-N 2.64Å; W70-I72 VanDerWaalsContact C-N 3.28Å; W70-I72 PolarHBondContact O-N 2.76Å; I72-Y74 VanDerWaalsContact C-N 3.26Å; I72-Y74 PolarHBondContact O-N 2.92Å; I72-Q75 WeakPolarHBondContact O-CB 3.4Å; I72-Q75 PolarHBondContact O-N 2.83Å; I72-Q75 VanDerWaalsContact O-N 3.12Å; I72-L76 HydrophobicContact CG2-CD1 4.4Å; I72-L76 HydrophobicContact CG2-CG 4.43Å; I72-L76 WeakPolarHBondContact O-CG 3.26Å; I72-L76 PolarHBondContact O-N 2.87Å
73A84.7Confident76.4Confident0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-60.4-38.6176.300000112F63 W70 F71 L76 S77 L107F63-A73 HydrophobicContact CD1-CB 4.16Å; F63-A73 HydrophobicContact CD2-CB 3.57Å; F63-A73 HydrophobicContact CE1-CB 4.13Å; F63-A73 HydrophobicContact CE2-CB 3.55Å; F63-A73 HydrophobicContact CG-CB 3.9Å; F63-A73 HydrophobicContact CZ-CB 3.85Å; W70-A73 WeakPolarHBondContact O-CB 3.32Å; W70-A73 PolarHBondContact O-N 3.46Å; F71-A73 VanDerWaalsContact C-N 3.35Å; F71-A73 PolarHBondContact O-N 3.49Å; A73-L76 PolarHBondContact O-N 3.46Å; A73-S77 PolarHBondContact O-N 2.87Å; A73-L107 HydrophobicContact CB-CD1 3.74Å; A73-L107 HydrophobicContact CB-CD2 4.43Å
74Y82.9Confident76.7Confident43 Ų4342.1 Ų42.117%0.16921%0.21CC..Hα-helixtrans-64.2-46.1172.3165.7-108.4000111.9W70 F71 I72 L76 S77 C78 L135 L138 I139W70-Y74 PolarHBondContact O-N 3.28Å; W70-Y74 VanDerWaalsContact O-N 3.16Å; F71-Y74 HydrophobicContact CD2-CD1 4.39Å; F71-Y74 HydrophobicContact CE2-CD1 4.26Å; F71-Y74 WeakPolarHBondContact O-CB 3.39Å; F71-Y74 PolarHBondContact O-N 3.42Å; I72-Y74 VanDerWaalsContact C-N 3.26Å; I72-Y74 PolarHBondContact O-N 2.92Å; Y74-L76 VanDerWaalsContact C-N 3.31Å; Y74-L76 PolarHBondContact O-N 2.94Å; Y74-S77 CarbonylContact O-C 3.59Å; Y74-S77 WeakPolarHBondContact O-CA 3.47Å; Y74-S77 WeakPolarHBondContact O-CB 3.46Å; Y74-S77 PolarHBondContact O-N 3.39Å; Y74-S77 PolarHBondContact O-OG 3.3Å; Y74-C78 WeakPolarHBondContact CE2-SG 3.31Å; Y74-C78 PolarHBondContact O-N 2.88Å; Y74-C78 PolarHBondContact OH-SG 3.21Å; Y74-L135 HydrophobicContact CD1-CD2 4.45Å; Y74-L135 HydrophobicContact CG-CD2 4.23Å; Y74-L138 HydrophobicContact CD2-CB 4Å; Y74-L138 HydrophobicContact CE1-CD1 4.08Å; Y74-L138 HydrophobicContact CE2-CB 3.47Å; Y74-L138 VanDerWaalsContact CE2-CB 3.47Å; Y74-L138 HydrophobicContact CE2-CD1 4.26Å; Y74-L138 HydrophobicContact CE2-CG 4.35Å; Y74-I139 HydrophobicContact CD2-CG1 4.05Å
75Q83.8Confident77.1Confident36 Ų3642.8 Ų42.817%0.16821%0.21CC..Hα-helixtrans-57.6-42.8175.9-71.9178.9-43.500112Y28 F71 I72 S77 C78 F79Y28-Q75 HydrophobicContact CD1-CB 4.08Å; Y28-Q75 HydrophobicContact CE1-CB 4.03Å; Y28-Q75 HydrophobicContact CE1-CG 4.5Å; F71-Q75 HydrophobicContact CD1-CG 4.15Å; F71-Q75 HydrophobicContact CE1-CG 3.92Å; F71-Q75 VanDerWaalsContact CE1-NE2 3.29Å; F71-Q75 HydrophobicContact CZ-CG 4.4Å; F71-Q75 WeakPolarHBondContact O-CG 3.46Å; F71-Q75 PolarHBondContact O-N 2.97Å; I72-Q75 WeakPolarHBondContact O-CB 3.4Å; I72-Q75 PolarHBondContact O-N 2.83Å; I72-Q75 VanDerWaalsContact O-N 3.12Å; Q75-S77 VanDerWaalsContact C-N 3.31Å; Q75-S77 PolarHBondContact O-N 3.26Å; Q75-C78 WeakPolarHBondContact O-CB 3.14Å; Q75-C78 PolarHBondContact O-N 2.67Å; Q75-F79 PolarHBondContact O-N 2.82Å
76L84.4Confident77.4Confident0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-64.9-34.4174.6-64.4179.1000112.3L24 L55 I59 F63 I72 A73 Y74 F79 L80L24-L76 HydrophobicContact CB-CD2 3.71Å; L55-L76 HydrophobicContact CD2-CB 4.41Å; L55-L76 HydrophobicContact CD2-CD2 3.91Å; I59-L76 HydrophobicContact CD1-CB 4.36Å; I59-L76 HydrophobicContact CG1-CB 3.95Å; F63-L76 HydrophobicContact CE1-CD1 4.35Å; F63-L76 HydrophobicContact CZ-CD1 3.98Å; I72-L76 HydrophobicContact CG2-CD1 4.4Å; I72-L76 HydrophobicContact CG2-CG 4.43Å; I72-L76 WeakPolarHBondContact O-CG 3.26Å; I72-L76 PolarHBondContact O-N 2.87Å; A73-L76 PolarHBondContact O-N 3.46Å; Y74-L76 VanDerWaalsContact C-N 3.31Å; Y74-L76 PolarHBondContact O-N 2.94Å; L76-F79 PolarHBondContact O-N 3.47Å; L76-L80 WeakPolarHBondContact O-CB 3.39Å; L76-L80 PolarHBondContact O-N 3.23Å
77S85Confident77.7Confident0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-66.7-38.2173.383.10000112.3A73 Y74 Q75 L81 N142A73-S77 PolarHBondContact O-N 2.87Å; Y74-S77 CarbonylContact O-C 3.59Å; Y74-S77 WeakPolarHBondContact O-CA 3.47Å; Y74-S77 WeakPolarHBondContact O-CB 3.46Å; Y74-S77 PolarHBondContact O-N 3.39Å; Y74-S77 PolarHBondContact O-OG 3.3Å; Q75-S77 VanDerWaalsContact C-N 3.31Å; Q75-S77 PolarHBondContact O-N 3.26Å; S77-L81 WeakPolarHBondContact O-CB 3.4Å; S77-L81 PolarHBondContact O-N 3.27Å; S77-N142 PolarHBondContact OG-ND2 3.42Å; S77-N142 VanDerWaalsContact OG-ND2 3.1Å
78C84.7Confident77.6Confident13 Ų1335 Ų359%0.08818%0.178CC..Hα-helixtrans-64.6-45.1172.5-72.10000110.8Y28 Y74 Q75 L80 L81 D82 N142Y28-C78 WeakPolarHBondContact OH-CB 3.32Å; Y74-C78 WeakPolarHBondContact CE2-SG 3.31Å; Y74-C78 PolarHBondContact O-N 2.88Å; Y74-C78 PolarHBondContact OH-SG 3.21Å; Q75-C78 WeakPolarHBondContact O-CB 3.14Å; Q75-C78 PolarHBondContact O-N 2.67Å; C78-L80 VanDerWaalsContact C-N 3.32Å; C78-L80 PolarHBondContact O-N 3.25Å; C78-L81 WeakPolarHBondContact O-CA 3.49Å; C78-L81 WeakPolarHBondContact O-CB 3.44Å; C78-L81 PolarHBondContact O-N 3.04Å; C78-D82 VanDerWaalsContact O-CG 3.26Å; C78-D82 PolarHBondContact O-N 3.44Å; C78-N142 PolarHBondContact SG-ND2 3.13Å; C78-N142 VanDerWaalsContact SG-ND2 3.43Å
79F84.9Confident77.2Confident0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-60.4-43.6178.6-174.1-151.1000112.3L27 Y28 Y31 L46 L51 L55 Q75 L76 L81 D82 I83L27-F79 HydrophobicContact CD2-CE1 3.46Å; L27-F79 VanDerWaalsContact CD2-CE1 3.46Å; L27-F79 HydrophobicContact CD2-CE2 4.35Å; L27-F79 HydrophobicContact CD2-CZ 3.19Å; Y28-F79 HydrophobicContact CD1-CB 4.37Å; Y28-F79 HydrophobicContact CD2-CB 3.37Å; Y28-F79 HydrophobicContact CD2-CD1 4.09Å; Y28-F79 AromaticContact CD2-CD2 3.3Å; Y28-F79 HydrophobicContact CD2-CD2 3.3Å; Y28-F79 HydrophobicContact CD2-CE2 4.11Å; Y28-F79 AromaticContact CD2-CG 3.31Å; Y28-F79 HydrophobicContact CD2-CG 3.31Å; Y28-F79 HydrophobicContact CE2-CB 3.56Å; Y28-F79 AromaticContact CE2-CD2 3.75Å; Y28-F79 HydrophobicContact CE2-CD2 3.75Å; Y28-F79 AromaticContact CE2-CG 3.89Å; Y28-F79 HydrophobicContact CE2-CG 3.89Å; Y28-F79 HydrophobicContact CG-CB 3.8Å; Y28-F79 HydrophobicContact CG-CD1 4.3Å; Y28-F79 HydrophobicContact CG-CD2 4.27Å; Y28-F79 AromaticContact CG-CG 3.88Å; Y28-F79 HydrophobicContact CG-CG 3.88Å; Y31-F79 AromaticContact CD1-CD2 3.92Å; Y31-F79 HydrophobicContact CD1-CD2 3.92Å; Y31-F79 AromaticContact CD1-CE2 3.71Å; Y31-F79 HydrophobicContact CD1-CE2 3.71Å; Y31-F79 AromaticContact CD2-CE2 3.76Å; Y31-F79 HydrophobicContact CD2-CE2 3.76Å; Y31-F79 HydrophobicContact CD2-CZ 4.45Å; Y31-F79 HydrophobicContact CE1-CD2 4.22Å; Y31-F79 HydrophobicContact CE1-CE2 4.11Å; Y31-F79 HydrophobicContact CE2-CE2 4.14Å; Y31-F79 HydrophobicContact CG-CD2 4.19Å; Y31-F79 AromaticContact CG-CE2 3.51Å; Y31-F79 HydrophobicContact CG-CE2 3.51Å; Y31-F79 HydrophobicContact CG-CZ 4.34Å; L46-F79 HydrophobicContact CD1-CE2 4.26Å; L46-F79 HydrophobicContact CD1-CZ 3.95Å; L51-F79 HydrophobicContact CD2-CE1 3.84Å; L51-F79 HydrophobicContact CD2-CZ 3.84Å; L55-F79 HydrophobicContact CD1-CD1 3.75Å; L55-F79 HydrophobicContact CD1-CE1 4.03Å; L55-F79 HydrophobicContact CD1-CG 4.28Å; L55-F79 HydrophobicContact CD2-CD1 3.76Å; L55-F79 HydrophobicContact CD2-CE1 4.26Å; L55-F79 HydrophobicContact CG-CD1 4.39Å; Q75-F79 PolarHBondContact O-N 2.82Å; L76-F79 PolarHBondContact O-N 3.47Å; F79-L81 VanDerWaalsContact C-N 3.3Å; F79-L81 PolarHBondContact O-N 3.21Å; F79-D82 PolarHBondContact O-N 3.34Å; F79-I83 HydrophobicContact CD2-CD1 3.95Å; F79-I83 HydrophobicContact CD2-CG1 4.11Å; F79-I83 HydrophobicContact CE1-CD1 4.22Å; F79-I83 HydrophobicContact CE2-CD1 3.63Å; F79-I83 HydrophobicContact CE2-CG1 3.82Å; F79-I83 HydrophobicContact CG-CD1 4.38Å; F79-I83 HydrophobicContact CZ-CD1 3.75Å; F79-I83 HydrophobicContact CZ-CG1 4.4Å; F79-I83 VanDerWaalsContact O-CG1 3.31Å; F79-I83 WeakPolarHBondContact O-CG1 3.19Å; F79-I83 PolarHBondContact O-N 3.18Å; F79-I83 VanDerWaalsContact O-N 3.1Å
80L84.3Confident76.3Confident0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-59.6-42173.6178.760.9000111.8P52 L55 C56 I59 L76 C78 I84 I100P52-L80 HydrophobicContact CB-CD1 3.76Å; L55-L80 HydrophobicContact CB-CB 4.45Å; L55-L80 HydrophobicContact CB-CD1 4.31Å; L55-L80 HydrophobicContact CD1-CB 4.17Å; L55-L80 HydrophobicContact CD1-CD1 4.33Å; C56-L80 VanDerWaalsContact SG-CD2 3.54Å; I59-L80 HydrophobicContact CD1-CB 4.38Å; I59-L80 HydrophobicContact CD1-CD2 3.86Å; L76-L80 WeakPolarHBondContact O-CB 3.39Å; L76-L80 PolarHBondContact O-N 3.23Å; C78-L80 VanDerWaalsContact C-N 3.32Å; C78-L80 PolarHBondContact O-N 3.25Å; L80-I84 HydrophobicContact CD1-CD1 3.97Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I84 VanDerWaalsContact O-CD1 3.31Å; L80-I84 WeakPolarHBondContact O-CD1 3.39Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.29Å; L80-I84 PolarHBondContact O-N 2.93Å; L80-I100 HydrophobicContact CD2-CG1 4.5Å; L80-I100 HydrophobicContact CD2-CG2 4.18Å
81L80.4Confident75.4Confident5 Ų540.4 Ų40.43%0.02621%0.212CC..Hα-helixtrans-66.3-43.4178.3-176.170000112.1S77 C78 F79 I83 I84 L85 N142 K145 L146S77-L81 WeakPolarHBondContact O-CB 3.4Å; S77-L81 PolarHBondContact O-N 3.27Å; C78-L81 WeakPolarHBondContact O-CA 3.49Å; C78-L81 WeakPolarHBondContact O-CB 3.44Å; C78-L81 PolarHBondContact O-N 3.04Å; F79-L81 VanDerWaalsContact C-N 3.3Å; F79-L81 PolarHBondContact O-N 3.21Å; L81-I83 VanDerWaalsContact C-N 3.35Å; L81-I83 PolarHBondContact O-N 3.29Å; L81-I84 PolarHBondContact O-N 2.83Å; L81-L85 HydrophobicContact CD1-CD1 3.89Å; L81-L85 HydrophobicContact CD1-CD2 4.46Å; L81-L85 HydrophobicContact CD1-CG 3.94Å; L81-L85 HydrophobicContact CD2-CD1 4.11Å; L81-L85 HydrophobicContact CG-CD1 3.69Å; L81-L85 HydrophobicContact CG-CG 4.07Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 3.38Å; L81-N142 HydrophobicContact CD2-CB 4.04Å; L81-K145 HydrophobicContact CD1-CB 4.38Å; L81-K145 HydrophobicContact CD2-CB 3.97Å; L81-K145 HydrophobicContact CD2-CD 3.7Å; L81-K145 HydrophobicContact CD2-CG 4.5Å; L81-L146 HydrophobicContact CD1-CB 4.05Å; L81-L146 HydrophobicContact CD1-CD1 4.06Å
82D81Confident74.6Confident48 Ų4836.8 Ų36.826%0.25720%0.198SC..Hα-helixtrans-61.2-43.9179.7-66.8-25.6000110.6Y28 Y31 C78 F79 I84 S86Y28-D82 PolarHBondContact OH-OD2 3.48Å; Y31-D82 HydrophobicContact CE1-CB 4.09Å; C78-D82 VanDerWaalsContact O-CG 3.26Å; C78-D82 PolarHBondContact O-N 3.44Å; F79-D82 PolarHBondContact O-N 3.34Å; D82-I84 VanDerWaalsContact C-N 3.32Å; D82-I84 PolarHBondContact O-N 3.09Å; D82-S86 VanDerWaalsContact O-CB 3.29Å; D82-S86 WeakPolarHBondContact O-CB 3.44Å; D82-S86 PolarHBondContact O-N 3.07Å; D82-S86 VanDerWaalsContact O-N 3.1Å; D82-S86 PolarHBondContact O-OG 3.37Å
83I77.6Confident74.1Confident0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-59.8-42.1175.6-64.9164.3000111.4L46 I47 L51 P52 L55 F79 L81L46-I83 HydrophobicContact CD1-CD1 4.24Å; L46-I83 HydrophobicContact CD1-CG1 4.35Å; I47-I83 HydrophobicContact CD1-CG2 4.08Å; I47-I83 HydrophobicContact CG1-CG2 3.72Å; L51-I83 HydrophobicContact CD2-CD1 4.17Å; P52-I83 HydrophobicContact CG-CG2 4.09Å; L55-I83 HydrophobicContact CD1-CD1 3.67Å; F79-I83 HydrophobicContact CD2-CD1 3.95Å; F79-I83 HydrophobicContact CD2-CG1 4.11Å; F79-I83 HydrophobicContact CE1-CD1 4.22Å; F79-I83 HydrophobicContact CE2-CD1 3.63Å; F79-I83 HydrophobicContact CE2-CG1 3.82Å; F79-I83 HydrophobicContact CG-CD1 4.38Å; F79-I83 HydrophobicContact CZ-CD1 3.75Å; F79-I83 HydrophobicContact CZ-CG1 4.4Å; F79-I83 VanDerWaalsContact O-CG1 3.31Å; F79-I83 WeakPolarHBondContact O-CG1 3.19Å; F79-I83 PolarHBondContact O-N 3.18Å; F79-I83 VanDerWaalsContact O-N 3.1Å; L81-I83 VanDerWaalsContact C-N 3.35Å; L81-I83 PolarHBondContact O-N 3.29Å
84I76.8Confident73.6Confident5 Ų544.9 Ų44.93%0.02624%0.242CC..Hα-helixtrans-71.7-49.3-177.3-67.4162.4000111.1L80 L81 D82 S86 S87 L92 I100 L146L80-I84 HydrophobicContact CD1-CD1 3.97Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I84 VanDerWaalsContact O-CD1 3.31Å; L80-I84 WeakPolarHBondContact O-CD1 3.39Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.29Å; L80-I84 PolarHBondContact O-N 2.93Å; L81-I84 PolarHBondContact O-N 2.83Å; D82-I84 VanDerWaalsContact C-N 3.32Å; D82-I84 PolarHBondContact O-N 3.09Å; I84-S86 VanDerWaalsContact C-N 3.34Å; I84-S86 PolarHBondContact O-N 3.06Å; I84-S87 PolarHBondContact O-N 2.97Å; I84-L92 HydrophobicContact CG1-CD1 4.36Å; I84-L92 HydrophobicContact CG2-CD1 3.83Å; I84-I100 HydrophobicContact CD1-CD1 3.67Å; I84-I100 HydrophobicContact CD1-CG1 4.29Å; I84-I100 HydrophobicContact CD1-CG2 4.02Å; I84-I100 HydrophobicContact CG1-CD1 4.47Å; I84-L146 HydrophobicContact CD1-CD1 4.22Å; I84-L146 HydrophobicContact CG2-CD1 3.95Å
85L74Confident73.3Confident58 Ų5850.1 Ų50.130%0.30427%0.266SS..Hα-helixtrans-67.6-34.4-174.9-70.4179.6000112.5L81 S87 K145 Y149L81-L85 HydrophobicContact CD1-CD1 3.89Å; L81-L85 HydrophobicContact CD1-CD2 4.46Å; L81-L85 HydrophobicContact CD1-CG 3.94Å; L81-L85 HydrophobicContact CD2-CD1 4.11Å; L81-L85 HydrophobicContact CG-CD1 3.69Å; L81-L85 HydrophobicContact CG-CG 4.07Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 3.38Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.15Å; L85-K145 HydrophobicContact CD1-CB 4.43Å; L85-Y149 HydrophobicContact CD2-CD2 3.76Å; L85-Y149 HydrophobicContact CD2-CG 4.01Å
86S71.4Confident73.1Confident49 Ų4951.8 Ų51.834%0.34327%0.274SS..THydrogen-bonded Turntrans-81.2-5.6178.6-66.50000113.8N43 D82 I84 N88N43-S86 WeakPolarHBondContact ND2-CB 3.48Å; D82-S86 VanDerWaalsContact O-CB 3.29Å; D82-S86 WeakPolarHBondContact O-CB 3.44Å; D82-S86 PolarHBondContact O-N 3.07Å; D82-S86 VanDerWaalsContact O-N 3.1Å; D82-S86 PolarHBondContact O-OG 3.37Å; I84-S86 VanDerWaalsContact C-N 3.34Å; I84-S86 PolarHBondContact O-N 3.06Å; S86-N88 PolarHBondContact O-N 3.47Å
87S65.2Low72.8Confident1 Ų152.4 Ų52.41%0.00728%0.277CS..  trans-87.198.9174.8-166.10000109.8I47 I84 L85 N89 T90 Y149I47-S87 WeakPolarHBondContact CD1-OG 3.33Å; I84-S87 PolarHBondContact O-N 2.97Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.15Å; S87-N89 PolarHBondContact O-N 2.97Å; S87-T90 WeakPolarHBondContact CB-OG1 3.23Å; S87-T90 VanDerWaalsContact OG-CG2 3.32Å; S87-T90 WeakPolarHBondContact OG-CG2 3.32Å; S87-T90 PolarHBondContact OG-OG1 3.5Å; S87-Y149 PolarHBondContact O-OH 2.73Å
88N55.2Low72.7Confident121 Ų12155.1 Ų55.165%0.64729%0.291SS*.SBendtrans-68.8-20.3178-71.9-25.7000113.1S86S86-N88 PolarHBondContact O-N 3.47Å
89N50.8Low72.6Confident128 Ų12855.8 Ų55.868%0.68429%0.293SS*.SBendtrans-124.81.7-162-74.5-27.4000116.2S87 N91S87-N89 PolarHBondContact O-N 2.97Å; N89-N91 PolarHBondContact O-N 2.91Å
90T53.5Low72.5Confident41 Ų4156.1 Ų56.125%0.25230%0.295SS..  trans-95.1106.6-179.557.50000111.2I47 S87 L92I47-T90 HydrophobicContact CD1-CG2 4.08Å; I47-T90 HydrophobicContact CG2-CG2 4.27Å; S87-T90 WeakPolarHBondContact CB-OG1 3.23Å; S87-T90 VanDerWaalsContact OG-CG2 3.32Å; S87-T90 WeakPolarHBondContact OG-CG2 3.32Å; S87-T90 PolarHBondContact OG-OG1 3.5Å; T90-L92 PolarHBondContact O-N 3.41Å
91N59.1Low72.4Confident159 Ų15956.1 Ų56.185%0.8530%0.295SS*.  trans-62.484.2162.7-80.1-31.2000108.5N89 N93N89-N91 PolarHBondContact O-N 2.91Å; N91-N93 PolarHBondContact O-N 2.97Å
92L64.9Low72.7Confident35 Ų3558.3 Ų58.318%0.18331%0.307CS..  trans-57.1123.5172.9-71.9171.1000108.5I84 T90 Q96 I97 I100I84-L92 HydrophobicContact CG1-CD1 4.36Å; I84-L92 HydrophobicContact CG2-CD1 3.83Å; T90-L92 PolarHBondContact O-N 3.41Å; L92-Q96 HydrophobicContact CD2-CB 4.47Å; L92-I97 HydrophobicContact CB-CD1 4.15Å; L92-I97 HydrophobicContact CB-CG1 3.82Å; L92-I100 HydrophobicContact CD1-CD1 4.46Å
93N72.6Confident72.9Confident106 Ų10656 Ų5657%0.56730%0.295SS*.  trans-65.2149.4177.7-71.8-32.5000110N91 F95 Q96 I97N91-N93 PolarHBondContact O-N 2.97Å; N93-F95 PolarHBondContact O-N 3.44Å; N93-Q96 WeakPolarHBondContact O-CB 3.32Å; N93-Q96 PolarHBondContact O-N 2.97Å; N93-I97 PolarHBondContact O-N 3.19Å
94D73.6Confident73.4Confident95 Ų9556.1 Ų56.151%0.50830%0.295SS..Hα-helixtrans-51.4-32.7177.1-74.5-4.3000112.6N98D94-N98 WeakPolarHBondContact O-CB 3.29Å; D94-N98 VanDerWaalsContact O-CG 3.29Å; D94-N98 PolarHBondContact O-N 2.83Å; D94-N98 PolarHBondContact O-ND2 2.87Å
95F77.3Confident73.9Confident152 Ų15256 Ų5667%0.66730%0.295SS*.Hα-helixtrans-66.5-44.4175.5-176.8-107.9000113.1N93 N98 I99N93-F95 PolarHBondContact O-N 3.44Å; F95-N98 PolarHBondContact O-N 3.38Å; F95-I99 HydrophobicContact CD1-CD1 3.66Å; F95-I99 HydrophobicContact CE1-CD1 3.25Å; F95-I99 HydrophobicContact CE1-CG1 4.4Å; F95-I99 HydrophobicContact CE2-CD1 4.24Å; F95-I99 HydrophobicContact CG-CD1 4.33Å; F95-I99 HydrophobicContact CZ-CD1 3.58Å; F95-I99 HydrophobicContact CZ-CG1 4.41Å; F95-I99 WeakPolarHBondContact O-CG1 3.49Å; F95-I99 PolarHBondContact O-N 3.17Å
96Q78.1Confident74.6Confident72 Ų7255.3 Ų55.334%0.33629%0.291SS..Hα-helixtrans-65.8-42.9177.7-70.8172.2-2700110.5L92 N93 N98 I99 I100L92-Q96 HydrophobicContact CD2-CB 4.47Å; N93-Q96 WeakPolarHBondContact O-CB 3.32Å; N93-Q96 PolarHBondContact O-N 2.97Å; Q96-N98 VanDerWaalsContact C-N 3.34Å; Q96-N98 PolarHBondContact O-N 2.84Å; Q96-I99 PolarHBondContact O-N 3.26Å; Q96-I99 VanDerWaalsContact O-N 3.16Å; Q96-I100 WeakPolarHBondContact O-CD1 3.34Å; Q96-I100 VanDerWaalsContact O-CG1 3.3Å; Q96-I100 WeakPolarHBondContact O-CG1 2.77Å; Q96-I100 PolarHBondContact O-N 3.46Å
97I79Confident75.3Confident13 Ų1353 Ų537%0.06728%0.275CS..Hα-helixtrans-58.1-46.8175.6-64.8174.4000110.7L92 N93 I99 I100 I101 I153 L156L92-I97 HydrophobicContact CB-CD1 4.15Å; L92-I97 HydrophobicContact CB-CG1 3.82Å; N93-I97 PolarHBondContact O-N 3.19Å; I97-I99 VanDerWaalsContact C-N 3.32Å; I97-I99 PolarHBondContact O-N 3.24Å; I97-I100 PolarHBondContact O-N 3.49Å; I97-I101 HydrophobicContact CG2-CD1 3.73Å; I97-I101 HydrophobicContact CG2-CG1 4.36Å; I97-I101 VanDerWaalsContact O-CG1 3.31Å; I97-I101 WeakPolarHBondContact O-CG1 3.43Å; I97-I101 PolarHBondContact O-N 3.45Å; I97-I153 HydrophobicContact CG2-CB 4.47Å; I97-I153 HydrophobicContact CG2-CD1 4.46Å; I97-I153 HydrophobicContact CG2-CG1 3.81Å; I97-L156 HydrophobicContact CB-CD1 4.23Å; I97-L156 HydrophobicContact CG2-CD1 3.65Å
98N82.5Confident76.3Confident56 Ų5653 Ų5330%0.29928%0.275SS..Hα-helixtrans-60.8-40.7177-77.8-39000112.3D94 F95 Q96 I100 I101 D102D94-N98 WeakPolarHBondContact O-CB 3.29Å; D94-N98 VanDerWaalsContact O-CG 3.29Å; D94-N98 PolarHBondContact O-N 2.83Å; D94-N98 PolarHBondContact O-ND2 2.87Å; F95-N98 PolarHBondContact O-N 3.38Å; Q96-N98 VanDerWaalsContact C-N 3.34Å; Q96-N98 PolarHBondContact O-N 2.84Å; N98-I100 VanDerWaalsContact C-N 3.33Å; N98-I100 PolarHBondContact O-N 3.25Å; N98-I101 PolarHBondContact O-N 3.3Å; N98-D102 VanDerWaalsContact O-CB 3.31Å; N98-D102 WeakPolarHBondContact O-CB 3.34Å; N98-D102 PolarHBondContact O-N 3.27Å
99I82.4Confident77.8Confident27 Ų2751.7 Ų51.714%0.13826%0.263CS..Hα-helixtrans-63-41.5177.6-70.8166.1000111.6L53 C56 F95 Q96 I97 D102 S103L53-I99 HydrophobicContact CD1-CD1 3.88Å; L53-I99 HydrophobicContact CD1-CG2 3.88Å; C56-I99 HydrophobicContact CB-CG2 3.71Å; F95-I99 HydrophobicContact CD1-CD1 3.66Å; F95-I99 HydrophobicContact CE1-CD1 3.25Å; F95-I99 HydrophobicContact CE1-CG1 4.4Å; F95-I99 HydrophobicContact CE2-CD1 4.24Å; F95-I99 HydrophobicContact CG-CD1 4.33Å; F95-I99 HydrophobicContact CZ-CD1 3.58Å; F95-I99 HydrophobicContact CZ-CG1 4.41Å; F95-I99 WeakPolarHBondContact O-CG1 3.49Å; F95-I99 PolarHBondContact O-N 3.17Å; Q96-I99 PolarHBondContact O-N 3.26Å; Q96-I99 VanDerWaalsContact O-N 3.16Å; I97-I99 VanDerWaalsContact C-N 3.32Å; I97-I99 PolarHBondContact O-N 3.24Å; I99-D102 PolarHBondContact O-N 3.28Å; I99-S103 WeakPolarHBondContact O-CB 3.17Å; I99-S103 PolarHBondContact O-N 2.84Å
100I82.4Confident79.5Confident7 Ų749 Ų494%0.03624%0.243CC..Hα-helixtrans-65.6-45.8177.7-67.1157.6000110.3L80 I84 L92 Q96 I97 N98 D102 S103 H104 L146L80-I100 HydrophobicContact CD2-CG1 4.5Å; L80-I100 HydrophobicContact CD2-CG2 4.18Å; I84-I100 HydrophobicContact CD1-CD1 3.67Å; I84-I100 HydrophobicContact CD1-CG1 4.29Å; I84-I100 HydrophobicContact CD1-CG2 4.02Å; I84-I100 HydrophobicContact CG1-CD1 4.47Å; L92-I100 HydrophobicContact CD1-CD1 4.46Å; Q96-I100 WeakPolarHBondContact O-CD1 3.34Å; Q96-I100 VanDerWaalsContact O-CG1 3.3Å; Q96-I100 WeakPolarHBondContact O-CG1 2.77Å; Q96-I100 PolarHBondContact O-N 3.46Å; I97-I100 PolarHBondContact O-N 3.49Å; N98-I100 VanDerWaalsContact C-N 3.33Å; N98-I100 PolarHBondContact O-N 3.25Å; I100-D102 PolarHBondContact O-N 2.89Å; I100-S103 PolarHBondContact O-N 3.39Å; I100-S103 PolarHBondContact O-OG 3.5Å; I100-H104 PolarHBondContact O-N 2.93Å; I100-H104 PolarHBondContact O-ND1 3.46Å; I100-L146 HydrophobicContact CG2-CD2 3.94Å
101I83.8Confident81Confident1 Ų147.2 Ų47.21%0.00523%0.232CC..Hα-helixtrans-60.6-49176.1-68.5167.8000109.8I97 N98 S103 H104 L105 I153 L156 L157I97-I101 HydrophobicContact CG2-CD1 3.73Å; I97-I101 HydrophobicContact CG2-CG1 4.36Å; I97-I101 VanDerWaalsContact O-CG1 3.31Å; I97-I101 WeakPolarHBondContact O-CG1 3.43Å; I97-I101 PolarHBondContact O-N 3.45Å; N98-I101 PolarHBondContact O-N 3.3Å; I101-S103 VanDerWaalsContact C-N 3.3Å; I101-S103 PolarHBondContact O-N 3.3Å; I101-H104 PolarHBondContact O-N 3.34Å; I101-L105 HydrophobicContact CG2-CD1 3.61Å; I101-L105 HydrophobicContact CG2-CG 4.1Å; I101-L105 VanDerWaalsContact O-CG 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.43Å; I101-L105 PolarHBondContact O-N 2.93Å; I101-I153 HydrophobicContact CD1-CG2 3.83Å; I101-I153 HydrophobicContact CG1-CG2 4.06Å; I101-L156 HydrophobicContact CD1-CB 3.62Å; I101-L157 HydrophobicContact CD1-CB 4.37Å; I101-L157 HydrophobicContact CG2-CB 4.1Å; I101-L157 HydrophobicContact CG2-CD1 4.39Å; I101-L157 HydrophobicContact CG2-CG 4.29Å
102D86.7Confident82.1Confident50 Ų5040.7 Ų40.727%0.26720%0.196SC..Hα-helixtrans-63.2-34.7-179.3-77.5-19.1000112.3N98 I99 I100 I106 S160N98-D102 VanDerWaalsContact O-CB 3.31Å; N98-D102 WeakPolarHBondContact O-CB 3.34Å; N98-D102 PolarHBondContact O-N 3.27Å; I99-D102 PolarHBondContact O-N 3.28Å; I100-D102 PolarHBondContact O-N 2.89Å; D102-I106 VanDerWaalsContact O-CB 3.23Å; D102-I106 WeakPolarHBondContact O-CB 3.5Å; D102-I106 VanDerWaalsContact O-CD1 3.31Å; D102-I106 WeakPolarHBondContact O-CD1 3.46Å; D102-I106 WeakPolarHBondContact O-CG1 3.27Å; D102-I106 PolarHBondContact O-N 2.74Å; D102-S160 PolarHBondContact OD1-OG 3.36Å
103S85.3Confident83.1Confident0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-63.4-45.9176.366.40000111.4K60 I99 I100 I101 I106 L107K60-S103 VanDerWaalsContact CE-CA 3.42Å; I99-S103 WeakPolarHBondContact O-CB 3.17Å; I99-S103 PolarHBondContact O-N 2.84Å; I100-S103 PolarHBondContact O-N 3.39Å; I100-S103 PolarHBondContact O-OG 3.5Å; I101-S103 VanDerWaalsContact C-N 3.3Å; I101-S103 PolarHBondContact O-N 3.3Å; S103-I106 PolarHBondContact O-N 3.35Å; S103-L107 WeakPolarHBondContact O-CB 3.42Å; S103-L107 PolarHBondContact O-N 3.47Å
104H87.2Confident83.4Confident3 Ų341.3 Ų41.31%0.01419%0.194CC..Hα-helixtrans-67.3-40.9177.1-69.189.3000112.7I100 I101 L107 L108 L143I100-H104 PolarHBondContact O-N 2.93Å; I100-H104 PolarHBondContact O-ND1 3.46Å; I101-H104 PolarHBondContact O-N 3.34Å; H104-L107 WeakPolarHBondContact O-CB 3.32Å; H104-L107 PolarHBondContact O-N 3.24Å; H104-L108 WeakPolarHBondContact O-CG 3.37Å; H104-L108 PolarHBondContact O-N 3.36Å; H104-L143 HydrophobicContact CB-CD1 4.35Å; H104-L143 HydrophobicContact CB-CD2 3.65Å; H104-L143 HydrophobicContact CB-CG 4.14Å
105L87.7Confident83.7Confident2 Ų237.4 Ų37.41%0.0117%0.172CC..Hα-helixtrans-66.8-39.6177.2-65.3176.6000111.7I101 L107 L108 K109 L143 C162 F163 L166I101-L105 HydrophobicContact CG2-CD1 3.61Å; I101-L105 HydrophobicContact CG2-CG 4.1Å; I101-L105 VanDerWaalsContact O-CG 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.43Å; I101-L105 PolarHBondContact O-N 2.93Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L108 PolarHBondContact O-N 3.14Å; L105-K109 WeakPolarHBondContact O-CB 3.46Å; L105-K109 PolarHBondContact O-N 3.26Å; L105-L143 HydrophobicContact CD2-CD1 4.39Å; L105-C162 HydrophobicContact CB-CB 3.89Å; L105-C162 HydrophobicContact CD1-CB 3.88Å; L105-F163 HydrophobicContact CD1-CB 4.09Å; L105-F163 HydrophobicContact CD2-CB 4.29Å; L105-F163 HydrophobicContact CD2-CD2 4.24Å; L105-L166 HydrophobicContact CB-CD1 4.25Å; L105-L166 HydrophobicContact CD2-CD1 3.78Å
106I87.4Confident83.7Confident44 Ų4433.4 Ų33.423%0.22616%0.157CC..Hα-helixtrans-64.5-40.7174.3-70.9165.7000110.5K60 D102 S103 K109 R110K60-I106 HydrophobicContact CD-CD1 3.99Å; K60-I106 HydrophobicContact CG-CD1 4.04Å; K60-I106 HydrophobicContact CG-CG2 4.44Å; D102-I106 VanDerWaalsContact O-CB 3.23Å; D102-I106 WeakPolarHBondContact O-CB 3.5Å; D102-I106 VanDerWaalsContact O-CD1 3.31Å; D102-I106 WeakPolarHBondContact O-CD1 3.46Å; D102-I106 WeakPolarHBondContact O-CG1 3.27Å; D102-I106 PolarHBondContact O-N 2.74Å; S103-I106 PolarHBondContact O-N 3.35Å; I106-K109 PolarHBondContact O-N 2.96Å; I106-R110 WeakPolarHBondContact O-CG 3.35Å; I106-R110 PolarHBondContact O-N 3.39Å
107L86.2Confident83.5Confident1 Ų134.5 Ų34.51%0.00517%0.165CC..Hα-helixtrans-59.9-49.6174.817961.6000111.2I59 W70 A73 S103 H104 L105 K109 R110 L111 I139I59-L107 HydrophobicContact CG2-CB 3.94Å; I59-L107 HydrophobicContact CG2-CD2 3.97Å; I59-L107 HydrophobicContact CG2-CG 4.4Å; W70-L107 HydrophobicContact CE3-CD1 4.02Å; W70-L107 HydrophobicContact CZ3-CD1 3.86Å; A73-L107 HydrophobicContact CB-CD1 3.74Å; A73-L107 HydrophobicContact CB-CD2 4.43Å; S103-L107 WeakPolarHBondContact O-CB 3.42Å; S103-L107 PolarHBondContact O-N 3.47Å; H104-L107 WeakPolarHBondContact O-CB 3.32Å; H104-L107 PolarHBondContact O-N 3.24Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.06Å; L107-R110 PolarHBondContact O-N 2.84Å; L107-R110 VanDerWaalsContact O-N 3.15Å; L107-L111 HydrophobicContact CD1-CD1 4.42Å; L107-L111 HydrophobicContact CD1-CG 4.46Å; L107-L111 HydrophobicContact CG-CD1 4.2Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 2.78Å; L107-I139 HydrophobicContact CD2-CD1 3.5Å; L107-I139 VanDerWaalsContact CD2-CD1 3.5Å; L107-I139 HydrophobicContact CD2-CG1 4.13Å; L107-I139 HydrophobicContact CG-CD1 3.85Å
108L86.6Confident82.9Confident1 Ų136.3 Ų36.31%0.00517%0.172CC..Hα-helixtrans-57-43.8175.6-76.5172.4000112.1H104 L105 R110 L111 Q112 I136 I139 L140 L143 L166H104-L108 WeakPolarHBondContact O-CG 3.37Å; H104-L108 PolarHBondContact O-N 3.36Å; L105-L108 PolarHBondContact O-N 3.14Å; L108-R110 VanDerWaalsContact C-N 3.27Å; L108-R110 PolarHBondContact O-N 3.48Å; L108-L111 PolarHBondContact O-N 3.31Å; L108-Q112 WeakPolarHBondContact O-CB 3.3Å; L108-Q112 PolarHBondContact O-N 3.22Å; L108-I136 HydrophobicContact CD2-CB 4.41Å; L108-I136 HydrophobicContact CD2-CG1 4.42Å; L108-I136 HydrophobicContact CD2-CG2 4.03Å; L108-I139 HydrophobicContact CD1-CG2 4.22Å; L108-I139 HydrophobicContact CD2-CB 3.93Å; L108-I139 HydrophobicContact CD2-CG2 3.73Å; L108-I139 HydrophobicContact CG-CB 4.48Å; L108-I139 HydrophobicContact CG-CG2 3.73Å; L108-L140 HydrophobicContact CD1-CD2 3.73Å; L108-L140 HydrophobicContact CD1-CG 4.43Å; L108-L140 HydrophobicContact CD2-CD2 4.44Å; L108-L140 HydrophobicContact CD2-CG 4.29Å; L108-L143 HydrophobicContact CD1-CD1 3.74Å; L108-L166 HydrophobicContact CB-CD1 3.89Å; L108-L166 HydrophobicContact CB-CD2 4.35Å; L108-L166 HydrophobicContact CD1-CD1 4.28Å
109K86.9Confident81.9Confident93 Ų9339 Ų3940%0.40418%0.181SC..Hα-helixtrans-61.9-37.3178.9-173.2174-179.6174.80112.1L105 I106 L107 K113 L166L105-K109 WeakPolarHBondContact O-CB 3.46Å; L105-K109 PolarHBondContact O-N 3.26Å; I106-K109 PolarHBondContact O-N 2.96Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.06Å; K109-K113 WeakPolarHBondContact O-CB 3.14Å; K109-K113 PolarHBondContact O-N 3Å; K109-L166 VanDerWaalsContact CA-CD2 3.49Å; K109-L166 HydrophobicContact CB-CD2 3.72Å; K109-L166 HydrophobicContact CG-CD2 4.26Å
110R86.5Confident80.7Confident72 Ų7245.3 Ų45.327%0.27221%0.21SC..Hα-helixtrans-73.7-40.9178-72175.5179.7-179.15112K60 Q61 W70 I106 L107 L108 Q112 K113 N114K60-R110 PolarHBondContact O-NH1 2.87Å; K60-R110 PolarHBondContact O-NH2 2.78Å; Q61-R110 PolarHBondContact O-NH1 3.11Å; W70-R110 HydrophobicContact CH2-CB 3.85Å; W70-R110 HydrophobicContact CZ3-CB 3.97Å; I106-R110 WeakPolarHBondContact O-CG 3.35Å; I106-R110 PolarHBondContact O-N 3.39Å; L107-R110 PolarHBondContact O-N 2.84Å; L107-R110 VanDerWaalsContact O-N 3.15Å; L108-R110 VanDerWaalsContact C-N 3.27Å; L108-R110 PolarHBondContact O-N 3.48Å; R110-Q112 VanDerWaalsContact C-N 3.32Å; R110-K113 PolarHBondContact O-N 3.33Å; R110-N114 WeakPolarHBondContact O-CB 3.38Å; R110-N114 PolarHBondContact O-N 3.24Å; R110-N114 PolarHBondContact O-ND2 3.06Å
111L83.9Confident79.4Confident2 Ų248 Ų481%0.0123%0.229CC..Hα-helixtrans-60-45.2172.9-71.6170.8000111W70 L107 L108 K113 N114 Y115 Y132 L135 I136 I139W70-L111 HydrophobicContact CB-CD2 3.86Å; W70-L111 HydrophobicContact CD2-CD2 3.65Å; W70-L111 HydrophobicContact CE3-CD2 3.43Å; W70-L111 VanDerWaalsContact CE3-CD2 3.43Å; W70-L111 HydrophobicContact CE3-CG 4.02Å; W70-L111 HydrophobicContact CG-CD2 3.81Å; W70-L111 HydrophobicContact CZ3-CD2 4.32Å; L107-L111 HydrophobicContact CD1-CD1 4.42Å; L107-L111 HydrophobicContact CD1-CG 4.46Å; L107-L111 HydrophobicContact CG-CD1 4.2Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 2.78Å; L108-L111 PolarHBondContact O-N 3.31Å; L111-K113 PolarHBondContact O-N 3.38Å; L111-N114 PolarHBondContact O-N 3.18Å; L111-Y115 VanDerWaalsContact O-CB 3.25Å; L111-Y115 WeakPolarHBondContact O-CB 3.37Å; L111-Y115 PolarHBondContact O-N 3.27Å; L111-Y132 HydrophobicContact CD2-CD1 3.83Å; L111-Y132 HydrophobicContact CD2-CE1 4.1Å; L111-L135 HydrophobicContact CD1-CB 4.48Å; L111-I136 HydrophobicContact CB-CD1 4.13Å; L111-I136 HydrophobicContact CB-CG1 3.79Å; L111-I136 HydrophobicContact CD1-CG1 4.15Å; L111-I139 HydrophobicContact CD1-CD1 3.14Å
112Q83.9Confident77.8Confident22 Ų2255 Ų5510%0.10327%0.266CS..Hα-helixtrans-58.3-48.2173.7-175.8-168.44.800111.5L108 R110 N114 Y115 L116 T169 F174L108-Q112 WeakPolarHBondContact O-CB 3.3Å; L108-Q112 PolarHBondContact O-N 3.22Å; R110-Q112 VanDerWaalsContact C-N 3.32Å; Q112-N114 VanDerWaalsContact C-N 3.34Å; Q112-N114 PolarHBondContact O-N 2.77Å; Q112-Y115 PolarHBondContact O-N 3.34Å; Q112-L116 HydrophobicContact CG-CD1 4.29Å; Q112-L116 WeakPolarHBondContact O-CG 3.48Å; Q112-L116 PolarHBondContact O-N 3.36Å; Q112-T169 VanDerWaalsContact NE2-CG2 3.26Å; Q112-T169 PolarHBondContact NE2-OG1 3.32Å; Q112-F174 HydrophobicContact CB-CE1 4.32Å; Q112-F174 HydrophobicContact CB-CE2 4.2Å; Q112-F174 HydrophobicContact CB-CZ 3.98Å; Q112-F174 HydrophobicContact CG-CD1 4.1Å; Q112-F174 HydrophobicContact CG-CD2 4.49Å; Q112-F174 HydrophobicContact CG-CE1 3.88Å; Q112-F174 HydrophobicContact CG-CE2 4.35Å; Q112-F174 HydrophobicContact CG-CG 4.36Å; Q112-F174 HydrophobicContact CG-CZ 4.03Å
113K84.3Confident76.2Confident134 Ų13459.6 Ų59.658%0.58329%0.288SS*.Hα-helixtrans-59.1-44.7178.1-175.9179.5177.8-1780111.7K109 R110 L111 L116 L117K109-K113 WeakPolarHBondContact O-CB 3.14Å; K109-K113 PolarHBondContact O-N 3Å; R110-K113 PolarHBondContact O-N 3.33Å; L111-K113 PolarHBondContact O-N 3.38Å; K113-L116 PolarHBondContact O-N 3.39Å; K113-L117 HydrophobicContact CG-CD1 4.14Å; K113-L117 VanDerWaalsContact O-CG 3.31Å; K113-L117 WeakPolarHBondContact O-CG 3.45Å; K113-L117 PolarHBondContact O-N 3.49Å
114N79.2Confident74.6Confident21 Ų2166.2 Ų66.211%0.11232%0.324CS..Hα-helixtrans-70.3-37.1179.8-70.9-26.7000112.7S64 W70 R110 L111 Q112 L116 L117 K118 Y132S64-N114 PolarHBondContact OG-ND2 2.91Å; W70-N114 WeakPolarHBondContact CH2-ND2 3.47Å; W70-N114 WeakPolarHBondContact CZ2-ND2 3.49Å; W70-N114 PolarHBondContact NE1-ND2 2.73Å; R110-N114 WeakPolarHBondContact O-CB 3.38Å; R110-N114 PolarHBondContact O-N 3.24Å; R110-N114 PolarHBondContact O-ND2 3.06Å; L111-N114 PolarHBondContact O-N 3.18Å; Q112-N114 VanDerWaalsContact C-N 3.34Å; Q112-N114 PolarHBondContact O-N 2.77Å; N114-L116 VanDerWaalsContact C-N 3.31Å; N114-L117 PolarHBondContact O-N 3.16Å; N114-K118 WeakPolarHBondContact O-CB 3.39Å; N114-K118 WeakPolarHBondContact O-CG 3.08Å; N114-K118 PolarHBondContact O-N 3.43Å; N114-Y132 HydrophobicContact CB-CE1 4.28Å
115Y79.7Confident73Confident12 Ų1267.6 Ų67.65%0.04733%0.331CS..Hα-helixtrans-59.5-43.7171.6170.3-83.1000110.7L111 Q112 K118 K119 R129 L133 N171 E173L111-Y115 VanDerWaalsContact O-CB 3.25Å; L111-Y115 WeakPolarHBondContact O-CB 3.37Å; L111-Y115 PolarHBondContact O-N 3.27Å; Q112-Y115 PolarHBondContact O-N 3.34Å; Y115-K118 PolarHBondContact O-N 3.47Å; Y115-K119 PolarHBondContact O-N 3.33Å; Y115-R129 HydrophobicContact CE2-CB 4.04Å; Y115-R129 HydrophobicContact CE2-CG 4.24Å; Y115-L133 HydrophobicContact CD2-CD2 4.26Å; Y115-L133 HydrophobicContact CD2-CG 4.15Å; Y115-L133 HydrophobicContact CE2-CD1 3.93Å; Y115-L133 HydrophobicContact CE2-CD2 3.79Å; Y115-L133 HydrophobicContact CE2-CG 3.63Å; Y115-N171 WeakPolarHBondContact CE1-ND2 3.3Å; Y115-E173 PolarHBondContact OH-OE2 3.38Å
116L77.1Confident71.5Confident69 Ų6974.7 Ų74.736%0.36136%0.364SS..Hα-helixtrans-67.2-44.2176.7-70173.1000112.7Q112 K113 N114 K118 K119 N171Q112-L116 HydrophobicContact CG-CD1 4.29Å; Q112-L116 WeakPolarHBondContact O-CG 3.48Å; Q112-L116 PolarHBondContact O-N 3.36Å; K113-L116 PolarHBondContact O-N 3.39Å; N114-L116 VanDerWaalsContact C-N 3.31Å; L116-K118 VanDerWaalsContact C-N 3.29Å; L116-K118 PolarHBondContact O-N 3.49Å; L116-K119 VanDerWaalsContact O-CB 3.24Å; L116-K119 WeakPolarHBondContact O-CB 3.38Å; L116-K119 PolarHBondContact O-N 2.89Å; L116-N171 HydrophobicContact CD2-CB 4.31Å
117L74.6Confident70.1Confident94 Ų9477.1 Ų77.149%0.49238%0.381SS..Hα-helixtrans-61.4-37.5177.4-72.5171.2000112.2K113 N114 K119 E120K113-L117 HydrophobicContact CG-CD1 4.14Å; K113-L117 VanDerWaalsContact O-CG 3.31Å; K113-L117 WeakPolarHBondContact O-CG 3.45Å; K113-L117 PolarHBondContact O-N 3.49Å; N114-L117 PolarHBondContact O-N 3.16Å; L117-K119 PolarHBondContact O-N 3.02Å; L117-E120 PolarHBondContact O-N 2.84Å
118K67.7Low69.1Low51 Ų5178.3 Ų78.322%0.22239%0.389CS..THydrogen-bonded Turntrans-76-8.5175.9-76.6-178.7171.3-169.50113.5N114 Y115 L116 L125 Y132N114-K118 WeakPolarHBondContact O-CB 3.39Å; N114-K118 WeakPolarHBondContact O-CG 3.08Å; N114-K118 PolarHBondContact O-N 3.43Å; Y115-K118 PolarHBondContact O-N 3.47Å; L116-K118 VanDerWaalsContact C-N 3.29Å; L116-K118 PolarHBondContact O-N 3.49Å; K118-L125 HydrophobicContact CB-CD1 4.17Å; K118-L125 WeakPolarHBondContact O-CD1 3.19Å; K118-Y132 HydrophobicContact CD-CD2 4.32Å; K118-Y132 HydrophobicContact CD-CE2 3.43Å; K118-Y132 VanDerWaalsContact CD-CE2 3.43Å; K118-Y132 WeakPolarHBondContact CE-OH 3.38Å; K118-Y132 PolarHBondContact NZ-OH 2.9Å
119K60.4Low68.2Low114 Ų11481.4 Ų81.450%0.49640%0.4SS..THydrogen-bonded Turntrans-74.2-30.4172.5-168.5177.5175.6179.70111.9Y115 L116 L117Y115-K119 PolarHBondContact O-N 3.33Å; L116-K119 VanDerWaalsContact O-CB 3.24Å; L116-K119 WeakPolarHBondContact O-CB 3.38Å; L116-K119 PolarHBondContact O-N 2.89Å; L117-K119 PolarHBondContact O-N 3.02Å
120E57.3Low67.5Low159 Ų15981.4 Ų81.474%0.74341%0.405SS*.SBendtrans-79.9-18.7-175.6-67.5178.4170.600113.7L117L117-E120 PolarHBondContact O-N 2.84Å
121S54.4Low67.3Low62 Ų6283.4 Ų83.443%0.43442%0.417SS..SBendtrans-93.3119174.147.90000110.9L125S121-L125 WeakPolarHBondContact O-CD1 3.35Å; S121-L125 VanDerWaalsContact OG-CD1 3.25Å; S121-L125 WeakPolarHBondContact OG-CD1 3.37Å
122I51.2Low67.2Low150 Ų15083.9 Ų83.977%0.76942%0.419SS*.  trans-87.3-13.8-150.5-72168.2000116.1
123I53.7Low67Low145 Ų14584 Ų8474%0.74442%0.42SS*.SBendtrans-107.1-26.4-152.9-57.5177.1000117.6
124N51.8Low67.1Low139 Ų13982 Ų8274%0.74342%0.415SS*.SBendtrans-13721.2-170.3-76.1-19.5000117.4
125L52.7Low67.4Low33 Ų3381.9 Ų81.917%0.17342%0.415CS..  trans-112.93.4-154.1-67.4166.7000117.8K118 S121 T127 T128 R129K118-L125 HydrophobicContact CB-CD1 4.17Å; K118-L125 WeakPolarHBondContact O-CD1 3.19Å; S121-L125 WeakPolarHBondContact O-CD1 3.35Å; S121-L125 VanDerWaalsContact OG-CD1 3.25Å; S121-L125 WeakPolarHBondContact OG-CD1 3.37Å; L125-T127 PolarHBondContact O-N 3.28Å; L125-T128 WeakPolarHBondContact CA-OG1 3.27Å; L125-T128 WeakPolarHBondContact CB-OG1 3.32Å; L125-T128 HydrophobicContact CD2-CG2 3.91Å; L125-T128 WeakPolarHBondContact CD2-OG1 3.26Å; L125-T128 PolarHBondContact O-N 3.28Å; L125-T128 PolarHBondContact O-OG1 3.1Å; L125-R129 VanDerWaalsContact O-CG 3.27Å; L125-R129 WeakPolarHBondContact O-CG 3.42Å; L125-R129 PolarHBondContact O-N 2.98Å
126E56.3Low67.7Low150 Ų15081.3 Ų81.370%0.70141%0.413SS*.Hα-helixtrans-55.9-47.8179.6-70.7-174.3165.900112.5T128 R129 D130E126-T128 PolarHBondContact O-N 3.48Å; E126-R129 WeakPolarHBondContact O-CB 3.34Å; E126-R129 PolarHBondContact O-N 3.37Å; E126-R129 VanDerWaalsContact O-N 3.16Å; E126-D130 PolarHBondContact O-N 2.91Å; E126-D130 VanDerWaalsContact O-N 3.1Å
127T58.3Low68.2Low96 Ų9685.4 Ų85.459%0.58942%0.423SS*.Hα-helixtrans-58.8-45.9175.952.30000112.3L125 R129 D130 E131L125-T127 PolarHBondContact O-N 3.28Å; T127-R129 VanDerWaalsContact C-N 3.3Å; T127-R129 PolarHBondContact O-N 3.01Å; T127-D130 PolarHBondContact O-N 2.94Å; T127-E131 WeakPolarHBondContact O-CG 3.3Å; T127-E131 PolarHBondContact O-N 3.45Å
128T65.3Low68.9Low26 Ų2684 Ų8416%0.1642%0.416CS..Hα-helixtrans-67.8-30179.369.70000112.7L125 E126 E131 Y132L125-T128 WeakPolarHBondContact CA-OG1 3.27Å; L125-T128 WeakPolarHBondContact CB-OG1 3.32Å; L125-T128 HydrophobicContact CD2-CG2 3.91Å; L125-T128 WeakPolarHBondContact CD2-OG1 3.26Å; L125-T128 PolarHBondContact O-N 3.28Å; L125-T128 PolarHBondContact O-OG1 3.1Å; E126-T128 PolarHBondContact O-N 3.48Å; T128-E131 WeakPolarHBondContact O-CB 3.47Å; T128-E131 PolarHBondContact O-N 2.89Å; T128-Y132 WeakPolarHBondContact O-CD2 3.45Å; T128-Y132 PolarHBondContact O-N 3.49Å; T128-Y132 VanDerWaalsContact O-N 3.1Å
129R67.6Low69.8Low66 Ų6681.6 Ų81.625%0.24941%0.406CS..Hα-helixtrans-66.3-46.5175.7-74.9170.5-173.2167.83.5109.9Y115 L125 E126 T127 E131 Y132 L133Y115-R129 HydrophobicContact CE2-CB 4.04Å; Y115-R129 HydrophobicContact CE2-CG 4.24Å; L125-R129 VanDerWaalsContact O-CG 3.27Å; L125-R129 WeakPolarHBondContact O-CG 3.42Å; L125-R129 PolarHBondContact O-N 2.98Å; E126-R129 WeakPolarHBondContact O-CB 3.34Å; E126-R129 PolarHBondContact O-N 3.37Å; E126-R129 VanDerWaalsContact O-N 3.16Å; T127-R129 VanDerWaalsContact C-N 3.3Å; T127-R129 PolarHBondContact O-N 3.01Å; R129-E131 VanDerWaalsContact C-N 3.27Å; R129-E131 PolarHBondContact O-N 3.16Å; R129-Y132 PolarHBondContact O-N 2.86Å; R129-L133 WeakPolarHBondContact O-CG 3.5Å; R129-L133 PolarHBondContact O-N 3.04Å
130D72.6Confident71.2Confident93 Ų9376.7 Ų76.750%0.49739%0.385SS..Hα-helixtrans-61.5-37.5175.9-70.4-19.6000111.3E126 T127 L133 N134E126-D130 PolarHBondContact O-N 2.91Å; E126-D130 VanDerWaalsContact O-N 3.1Å; T127-D130 PolarHBondContact O-N 2.94Å; D130-L133 PolarHBondContact O-N 3.24Å; D130-N134 WeakPolarHBondContact O-CB 3.3Å; D130-N134 PolarHBondContact O-N 3.36Å; D130-N134 PolarHBondContact O-ND2 2.92Å; D130-N134 VanDerWaalsContact O-ND2 3.08Å
131E80.6Confident72.6Confident113 Ų11372.4 Ų72.453%0.52837%0.367SS..Hα-helixtrans-59.6-47.4172.6-71.7169.3-17700112.4T127 T128 R129 N134 L135T127-E131 WeakPolarHBondContact O-CG 3.3Å; T127-E131 PolarHBondContact O-N 3.45Å; T128-E131 WeakPolarHBondContact O-CB 3.47Å; T128-E131 PolarHBondContact O-N 2.89Å; R129-E131 VanDerWaalsContact C-N 3.27Å; R129-E131 PolarHBondContact O-N 3.16Å; E131-N134 PolarHBondContact O-N 3.26Å; E131-L135 WeakPolarHBondContact O-CB 3.42Å; E131-L135 VanDerWaalsContact O-CG 3.29Å; E131-L135 WeakPolarHBondContact O-CG 3.23Å; E131-L135 PolarHBondContact O-N 3.01Å
132Y82.2Confident74.2Confident13 Ų1369.6 Ų69.65%0.05135%0.347CS..Hα-helixtrans-65.4-42.6177.5-77.5-68.6000112.4W70 L111 N114 K118 T128 R129 N134 L135 I136W70-Y132 HydrophobicContact CB-CE1 4.36Å; W70-Y132 AromaticContact CD1-CE1 3.62Å; W70-Y132 AromaticContact CD1-CZ 3.99Å; W70-Y132 AromaticContact CG-CE1 3.88Å; W70-Y132 HydrophobicContact CG-CE1 3.88Å; L111-Y132 HydrophobicContact CD2-CD1 3.83Å; L111-Y132 HydrophobicContact CD2-CE1 4.1Å; N114-Y132 HydrophobicContact CB-CE1 4.28Å; K118-Y132 HydrophobicContact CD-CD2 4.32Å; K118-Y132 HydrophobicContact CD-CE2 3.43Å; K118-Y132 VanDerWaalsContact CD-CE2 3.43Å; K118-Y132 WeakPolarHBondContact CE-OH 3.38Å; K118-Y132 PolarHBondContact NZ-OH 2.9Å; T128-Y132 WeakPolarHBondContact O-CD2 3.45Å; T128-Y132 PolarHBondContact O-N 3.49Å; T128-Y132 VanDerWaalsContact O-N 3.1Å; R129-Y132 PolarHBondContact O-N 2.86Å; Y132-N134 VanDerWaalsContact C-N 3.3Å; Y132-N134 PolarHBondContact O-N 3.23Å; Y132-L135 PolarHBondContact O-N 2.94Å; Y132-I136 WeakPolarHBondContact O-CB 3.44Å; Y132-I136 WeakPolarHBondContact O-CD1 3.44Å; Y132-I136 WeakPolarHBondContact O-CG1 3.25Å; Y132-I136 PolarHBondContact O-N 3.22Å
133L80.9Confident75.8Confident24 Ų2462.6 Ų62.613%0.12631%0.311CS..Hα-helixtrans-62.6-40.2176.4-69.6170.8000111.1Y115 R129 D130 I136 R137 E173 L177Y115-L133 HydrophobicContact CD2-CD2 4.26Å; Y115-L133 HydrophobicContact CD2-CG 4.15Å; Y115-L133 HydrophobicContact CE2-CD1 3.93Å; Y115-L133 HydrophobicContact CE2-CD2 3.79Å; Y115-L133 HydrophobicContact CE2-CG 3.63Å; R129-L133 WeakPolarHBondContact O-CG 3.5Å; R129-L133 PolarHBondContact O-N 3.04Å; D130-L133 PolarHBondContact O-N 3.24Å; L133-I136 PolarHBondContact O-N 2.9Å; L133-R137 WeakPolarHBondContact O-CB 3.4Å; L133-R137 PolarHBondContact O-N 3.14Å; L133-E173 VanDerWaalsContact CD1-OE2 3.26Å; L133-E173 WeakPolarHBondContact CD1-OE2 3.36Å; L133-E173 HydrophobicContact CD2-CB 4.21Å; L133-L177 HydrophobicContact CD2-CD1 4.22Å
134N85.5Confident77.4Confident91 Ų9159 Ų5949%0.48729%0.29SS..Hα-helixtrans-63.6-46.8173.9-75.6-29.4000111.4D130 E131 Y132 I136 R137 L138D130-N134 WeakPolarHBondContact O-CB 3.3Å; D130-N134 PolarHBondContact O-N 3.36Å; D130-N134 PolarHBondContact O-ND2 2.92Å; D130-N134 VanDerWaalsContact O-ND2 3.08Å; E131-N134 PolarHBondContact O-N 3.26Å; Y132-N134 VanDerWaalsContact C-N 3.3Å; Y132-N134 PolarHBondContact O-N 3.23Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 PolarHBondContact O-N 2.87Å; N134-R137 WeakPolarHBondContact O-CB 3.45Å; N134-R137 PolarHBondContact O-N 3.28Å; N134-L138 WeakPolarHBondContact O-CB 3.45Å; N134-L138 VanDerWaalsContact O-CG 3.24Å; N134-L138 WeakPolarHBondContact O-CG 3.5Å; N134-L138 PolarHBondContact O-N 3.38Å
135L85Confident78.9Confident19 Ų1956.7 Ų56.710%0.09927%0.273CS..Hα-helixtrans-59.6-43.2175.8-73.5173.5000112.1W70 F71 Y74 L111 E131 Y132 L138 I139W70-L135 HydrophobicContact CB-CD1 3.82Å; F71-L135 HydrophobicContact CD2-CD2 4.2Å; Y74-L135 HydrophobicContact CD1-CD2 4.45Å; Y74-L135 HydrophobicContact CG-CD2 4.23Å; L111-L135 HydrophobicContact CD1-CB 4.48Å; E131-L135 WeakPolarHBondContact O-CB 3.42Å; E131-L135 VanDerWaalsContact O-CG 3.29Å; E131-L135 WeakPolarHBondContact O-CG 3.23Å; E131-L135 PolarHBondContact O-N 3.01Å; Y132-L135 PolarHBondContact O-N 2.94Å; L135-L138 PolarHBondContact O-N 3.1Å; L135-I139 WeakPolarHBondContact O-CD1 3.49Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 3.26Å
136I87.5Confident80.3Confident0 Ų055.4 Ų55.40%027%0.266CS..Hα-helixtrans-60-48.2175-73.3164.4000110.2L108 L111 Y132 L133 N134 L138 I139 L140 F174 L177L108-I136 HydrophobicContact CD2-CB 4.41Å; L108-I136 HydrophobicContact CD2-CG1 4.42Å; L108-I136 HydrophobicContact CD2-CG2 4.03Å; L111-I136 HydrophobicContact CB-CD1 4.13Å; L111-I136 HydrophobicContact CB-CG1 3.79Å; L111-I136 HydrophobicContact CD1-CG1 4.15Å; Y132-I136 WeakPolarHBondContact O-CB 3.44Å; Y132-I136 WeakPolarHBondContact O-CD1 3.44Å; Y132-I136 WeakPolarHBondContact O-CG1 3.25Å; Y132-I136 PolarHBondContact O-N 3.22Å; L133-I136 PolarHBondContact O-N 2.9Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 PolarHBondContact O-N 2.87Å; I136-L138 VanDerWaalsContact C-N 3.29Å; I136-L138 PolarHBondContact O-N 3.26Å; I136-I139 PolarHBondContact O-N 2.95Å; I136-L140 HydrophobicContact CG2-CD1 4.03Å; I136-L140 HydrophobicContact CG2-CG 4.47Å; I136-L140 WeakPolarHBondContact O-CG 3.49Å; I136-L140 PolarHBondContact O-N 3.42Å; I136-F174 HydrophobicContact CD1-CD2 4.05Å; I136-F174 HydrophobicContact CD1-CE2 3.95Å; I136-F174 HydrophobicContact CG1-CE2 4.43Å; I136-F174 HydrophobicContact CG2-CD2 4.06Å; I136-F174 HydrophobicContact CG2-CE2 3.68Å; I136-L177 HydrophobicContact CG2-CD1 4.08Å
137R87.7Confident81.6Confident156 Ų15648.5 Ų48.559%0.58923%0.234SC*.Hα-helixtrans-59.1-41.1177.8-175.5177.8-178154.23111.7L133 N134 L140 N141L133-R137 WeakPolarHBondContact O-CB 3.4Å; L133-R137 PolarHBondContact O-N 3.14Å; N134-R137 WeakPolarHBondContact O-CB 3.45Å; N134-R137 PolarHBondContact O-N 3.28Å; R137-L140 PolarHBondContact O-N 3.38Å; R137-N141 WeakPolarHBondContact O-CB 3.38Å; R137-N141 PolarHBondContact O-N 2.86Å
138L88Confident82.7Confident64 Ų6449.4 Ų49.434%0.33523%0.232SC..Hα-helixtrans-66-41.8177.3-69.4170.8000112Y74 N134 L135 I136 N141 N142Y74-L138 HydrophobicContact CD2-CB 4Å; Y74-L138 HydrophobicContact CE1-CD1 4.08Å; Y74-L138 HydrophobicContact CE2-CB 3.47Å; Y74-L138 VanDerWaalsContact CE2-CB 3.47Å; Y74-L138 HydrophobicContact CE2-CD1 4.26Å; Y74-L138 HydrophobicContact CE2-CG 4.35Å; N134-L138 WeakPolarHBondContact O-CB 3.45Å; N134-L138 VanDerWaalsContact O-CG 3.24Å; N134-L138 WeakPolarHBondContact O-CG 3.5Å; N134-L138 PolarHBondContact O-N 3.38Å; L135-L138 PolarHBondContact O-N 3.1Å; I136-L138 VanDerWaalsContact C-N 3.29Å; I136-L138 PolarHBondContact O-N 3.26Å; L138-N141 WeakPolarHBondContact O-CB 3.33Å; L138-N141 PolarHBondContact O-N 3.22Å; L138-N142 PolarHBondContact O-N 3.01Å
139I87.8Confident83.3Confident1 Ų152.7 Ų52.71%0.00524%0.242CC..Hα-helixtrans-68.8-38.6177.3-67.3158.7000111.5Y74 L107 L108 L111 L135 I136 N141 N142 L143Y74-I139 HydrophobicContact CD2-CG1 4.05Å; L107-I139 HydrophobicContact CD2-CD1 3.5Å; L107-I139 VanDerWaalsContact CD2-CD1 3.5Å; L107-I139 HydrophobicContact CD2-CG1 4.13Å; L107-I139 HydrophobicContact CG-CD1 3.85Å; L108-I139 HydrophobicContact CD1-CG2 4.22Å; L108-I139 HydrophobicContact CD2-CB 3.93Å; L108-I139 HydrophobicContact CD2-CG2 3.73Å; L108-I139 HydrophobicContact CG-CB 4.48Å; L108-I139 HydrophobicContact CG-CG2 3.73Å; L111-I139 HydrophobicContact CD1-CD1 3.14Å; L135-I139 WeakPolarHBondContact O-CD1 3.49Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 3.26Å; I136-I139 PolarHBondContact O-N 2.95Å; I139-N141 PolarHBondContact O-N 2.9Å; I139-N142 WeakPolarHBondContact O-CB 3.17Å; I139-N142 PolarHBondContact O-N 3.46Å; I139-N142 VanDerWaalsContact O-N 3.13Å; I139-L143 PolarHBondContact O-N 2.88Å
140L87.9Confident83.7Confident11 Ų1151 Ų516%0.05824%0.24CC..Hα-helixtrans-61.7-35.7171.7-71.2173.7000111.4L108 I136 R137 L143 K144 L177 L178 F181L108-L140 HydrophobicContact CD1-CD2 3.73Å; L108-L140 HydrophobicContact CD1-CG 4.43Å; L108-L140 HydrophobicContact CD2-CD2 4.44Å; L108-L140 HydrophobicContact CD2-CG 4.29Å; I136-L140 HydrophobicContact CG2-CD1 4.03Å; I136-L140 HydrophobicContact CG2-CG 4.47Å; I136-L140 WeakPolarHBondContact O-CG 3.49Å; I136-L140 PolarHBondContact O-N 3.42Å; R137-L140 PolarHBondContact O-N 3.38Å; L140-L143 HydrophobicContact CD2-CD1 4.49Å; L140-L143 PolarHBondContact O-N 2.99Å; L140-K144 PolarHBondContact O-N 3.22Å; L140-L177 HydrophobicContact CD1-CB 4.1Å; L140-L178 HydrophobicContact CD1-CD2 4.39Å; L140-L178 HydrophobicContact CD2-CD2 4.08Å; L140-F181 HydrophobicContact CB-CD2 4.15Å; L140-F181 HydrophobicContact CD1-CB 4.48Å; L140-F181 HydrophobicContact CD2-CB 4.33Å; L140-F181 HydrophobicContact CD2-CD1 4.1Å; L140-F181 HydrophobicContact CD2-CD2 4.13Å; L140-F181 HydrophobicContact CD2-CE1 4.45Å; L140-F181 HydrophobicContact CD2-CE2 4.49Å; L140-F181 HydrophobicContact CD2-CG 3.92Å; L140-F181 WeakPolarHBondContact O-CE2 3.29Å
141N88.4Confident83.8Confident68 Ų6851.1 Ų51.136%0.36425%0.245SC..Hα-helixtrans-67.5-36.6173.2-166.947.9000112.3R137 L138 I139 K144 K145R137-N141 WeakPolarHBondContact O-CB 3.38Å; R137-N141 PolarHBondContact O-N 2.86Å; L138-N141 WeakPolarHBondContact O-CB 3.33Å; L138-N141 PolarHBondContact O-N 3.22Å; I139-N141 PolarHBondContact O-N 2.9Å; N141-K144 WeakPolarHBondContact O-CB 3.5Å; N141-K144 PolarHBondContact O-N 3.45Å; N141-K145 WeakPolarHBondContact O-CG 3.42Å; N141-K145 PolarHBondContact O-N 3.01Å
142N86.3Confident83.6Confident4 Ų452 Ų522%0.02125%0.246CC..Hα-helixtrans-63.1-43.3172.3-72.2-9.8000111.3S77 C78 L81 L138 I139 K144 K145 L146S77-N142 PolarHBondContact OG-ND2 3.42Å; S77-N142 VanDerWaalsContact OG-ND2 3.1Å; C78-N142 PolarHBondContact SG-ND2 3.13Å; C78-N142 VanDerWaalsContact SG-ND2 3.43Å; L81-N142 HydrophobicContact CD2-CB 4.04Å; L138-N142 PolarHBondContact O-N 3.01Å; I139-N142 WeakPolarHBondContact O-CB 3.17Å; I139-N142 PolarHBondContact O-N 3.46Å; I139-N142 VanDerWaalsContact O-N 3.13Å; N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.04Å; N142-K145 PolarHBondContact O-N 2.8Å; N142-L146 PolarHBondContact O-N 3.24Å
143L86.7Confident83.6Confident2 Ų251.6 Ų51.61%0.0125%0.245CC..Hα-helixtrans-61.9-38.9173-74.9177.9000112.2H104 L105 L108 I139 L140 L146 I147 L157 F181H104-L143 HydrophobicContact CB-CD1 4.35Å; H104-L143 HydrophobicContact CB-CD2 3.65Å; H104-L143 HydrophobicContact CB-CG 4.14Å; L105-L143 HydrophobicContact CD2-CD1 4.39Å; L108-L143 HydrophobicContact CD1-CD1 3.74Å; I139-L143 PolarHBondContact O-N 2.88Å; L140-L143 HydrophobicContact CD2-CD1 4.49Å; L140-L143 PolarHBondContact O-N 2.99Å; L143-L146 WeakPolarHBondContact O-CB 3.42Å; L143-L146 PolarHBondContact O-N 2.92Å; L143-I147 WeakPolarHBondContact O-CD1 3.43Å; L143-I147 VanDerWaalsContact O-CG1 3.26Å; L143-I147 WeakPolarHBondContact O-CG1 3.44Å; L143-I147 PolarHBondContact O-N 3.24Å; L143-L157 HydrophobicContact CD1-CD1 4.24Å; L143-L157 HydrophobicContact CD2-CD1 4.17Å; L143-F181 HydrophobicContact CB-CE2 3.98Å; L143-F181 HydrophobicContact CB-CZ 3.81Å; L143-F181 HydrophobicContact CD1-CZ 4.42Å
144K85.4Confident83.7Confident70 Ų7050.5 Ų50.530%0.30424%0.24SC..Hα-helixtrans-60.3-47.5175.1179.2-175.1175.4-176.10111.5L140 N141 N142 L146 I147 Q148 F181 V184L140-K144 PolarHBondContact O-N 3.22Å; N141-K144 WeakPolarHBondContact O-CB 3.5Å; N141-K144 PolarHBondContact O-N 3.45Å; N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.04Å; K144-L146 VanDerWaalsContact C-N 3.3Å; K144-L146 PolarHBondContact O-N 3.37Å; K144-I147 PolarHBondContact O-N 2.65Å; K144-Q148 WeakPolarHBondContact O-CG 3.37Å; K144-Q148 PolarHBondContact O-N 3.37Å; K144-F181 HydrophobicContact CB-CE2 4.26Å; K144-V184 HydrophobicContact CD-CG1 3.94Å; K144-V184 HydrophobicContact CG-CG1 3.96Å
145K84.7Confident83.5Confident91 Ų9149.3 Ų49.340%0.39623%0.229SC..Hα-helixtrans-59.8-41.2175.9-71.6176.5176.6-177.20111.6L81 L85 N141 N142 Q148 Y149L81-K145 HydrophobicContact CD1-CB 4.38Å; L81-K145 HydrophobicContact CD2-CB 3.97Å; L81-K145 HydrophobicContact CD2-CD 3.7Å; L81-K145 HydrophobicContact CD2-CG 4.5Å; L85-K145 HydrophobicContact CD1-CB 4.43Å; N141-K145 WeakPolarHBondContact O-CG 3.42Å; N141-K145 PolarHBondContact O-N 3.01Å; N142-K145 PolarHBondContact O-N 2.8Å; K145-Q148 PolarHBondContact O-N 3.04Å; K145-Y149 PolarHBondContact O-N 3.22Å
146L81.9Confident83.4Confident5 Ų549.1 Ų49.13%0.02623%0.228CC..Hα-helixtrans-64.1-42.5177-168.772.3000111.9L81 I84 I100 N142 L143 K144 Q148 Y149 I153L81-L146 HydrophobicContact CD1-CB 4.05Å; L81-L146 HydrophobicContact CD1-CD1 4.06Å; I84-L146 HydrophobicContact CD1-CD1 4.22Å; I84-L146 HydrophobicContact CG2-CD1 3.95Å; I100-L146 HydrophobicContact CG2-CD2 3.94Å; N142-L146 PolarHBondContact O-N 3.24Å; L143-L146 WeakPolarHBondContact O-CB 3.42Å; L143-L146 PolarHBondContact O-N 2.92Å; K144-L146 VanDerWaalsContact C-N 3.3Å; K144-L146 PolarHBondContact O-N 3.37Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.42Å; L146-Y149 WeakPolarHBondContact O-CB 3.25Å; L146-Y149 PolarHBondContact O-N 3.21Å; L146-I153 HydrophobicContact CD1-CD1 4.11Å; L146-I153 HydrophobicContact CD2-CD1 4.41Å; L146-I153 HydrophobicContact CD2-CG2 3.94Å; L146-I153 HydrophobicContact CG-CD1 3.8Å; L146-I153 HydrophobicContact CG-CG2 4.06Å; L146-I153 WeakPolarHBondContact O-CD1 3.21Å
147I82.3Confident83.2Confident5 Ų549.1 Ų49.13%0.02623%0.228CC..Hα-helixtrans-64.2-38.2176.5-67.3159.8000111.3L143 K144 Y149 S150 I153 L154 L157 F181 L188L143-I147 WeakPolarHBondContact O-CD1 3.43Å; L143-I147 VanDerWaalsContact O-CG1 3.26Å; L143-I147 WeakPolarHBondContact O-CG1 3.44Å; L143-I147 PolarHBondContact O-N 3.24Å; K144-I147 PolarHBondContact O-N 2.65Å; I147-Y149 PolarHBondContact O-N 3.49Å; I147-S150 CarbonylContact O-C 3.36Å; I147-S150 PolarHBondContact O-N 3.22Å; I147-I153 HydrophobicContact CG1-CG2 4.34Å; I147-L154 HydrophobicContact CD1-CD1 3.93Å; I147-L154 HydrophobicContact CG1-CD1 4.4Å; I147-L154 HydrophobicContact CG2-CB 3.88Å; I147-L154 HydrophobicContact CG2-CD1 4.32Å; I147-L157 HydrophobicContact CD1-CD1 4.33Å; I147-F181 HydrophobicContact CD1-CE2 4.25Å; I147-F181 HydrophobicContact CD1-CZ 3.67Å; I147-L188 HydrophobicContact CB-CD1 4.36Å; I147-L188 HydrophobicContact CG2-CB 4.42Å; I147-L188 HydrophobicContact CG2-CD1 3.71Å
148Q82Confident83Confident116 Ų11642 Ų4254%0.54220%0.201SC..Hα-helixtrans-62.6-27.5177-74.2175.7-28.200112.7K144 K145 L146 L188K144-Q148 WeakPolarHBondContact O-CG 3.37Å; K144-Q148 PolarHBondContact O-N 3.37Å; K145-Q148 PolarHBondContact O-N 3.04Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.42Å; Q148-L188 HydrophobicContact CG-CD1 4.16Å; Q148-L188 HydrophobicContact CG-CD2 4.11Å
149Y78.2Confident82.8Confident94 Ų9444.3 Ų44.337%0.36921%0.209SC..Hα-helixtrans-71.7-36.8176.4-176.6-95.6000112.8L85 S87 K145 L146 I147L85-Y149 HydrophobicContact CD2-CD2 3.76Å; L85-Y149 HydrophobicContact CD2-CG 4.01Å; S87-Y149 PolarHBondContact O-OH 2.73Å; K145-Y149 PolarHBondContact O-N 3.22Å; L146-Y149 WeakPolarHBondContact O-CB 3.25Å; L146-Y149 PolarHBondContact O-N 3.21Å; I147-Y149 PolarHBondContact O-N 3.49Å
150S76.3Confident82.7Confident31 Ų3144.8 Ų44.822%0.21721%0.212CC..  trans-151.5126.8-179.81730000113.5I147 K152 I153I147-S150 CarbonylContact O-C 3.36Å; I147-S150 PolarHBondContact O-N 3.22Å; S150-K152 PolarHBondContact O-N 3.44Å; S150-K152 PolarHBondContact OG-N 2.79Å; S150-I153 WeakPolarHBondContact O-CB 3.28Å; S150-I153 PolarHBondContact O-N 3.5Å; S150-I153 VanDerWaalsContact O-N 3.1Å
151T73.6Confident82.5Confident95 Ų9548.4 Ų48.458%0.58324%0.236SC*.Hα-helixtrans-62.7-24.5177.456.70000113.2I153 L154T151-I153 VanDerWaalsContact C-N 3.29Å; T151-I153 PolarHBondContact O-N 3.32Å; T151-L154 PolarHBondContact O-N 3.31Å
152K78.3Confident82.3Confident131 Ų13146.6 Ų46.657%0.5723%0.229SC*.Hα-helixtrans-64.4-34.1175.7-65.4-179.2-179.1176.70111.9S150 L154 Y155 L156S150-K152 PolarHBondContact O-N 3.44Å; S150-K152 PolarHBondContact OG-N 2.79Å; K152-L154 VanDerWaalsContact C-N 3.31Å; K152-L154 PolarHBondContact O-N 3.03Å; K152-Y155 PolarHBondContact O-N 3.08Å; K152-L156 PolarHBondContact O-N 3.13Å
153I81.4Confident82.4Confident5 Ų546.6 Ų46.63%0.02623%0.228CC..Hα-helixtrans-64.1-38.7-177.4-60.4-176.6000110.4I97 I101 L146 I147 S150 T151 Y155 L156 L157I97-I153 HydrophobicContact CG2-CB 4.47Å; I97-I153 HydrophobicContact CG2-CD1 4.46Å; I97-I153 HydrophobicContact CG2-CG1 3.81Å; I101-I153 HydrophobicContact CD1-CG2 3.83Å; I101-I153 HydrophobicContact CG1-CG2 4.06Å; L146-I153 HydrophobicContact CD1-CD1 4.11Å; L146-I153 HydrophobicContact CD2-CD1 4.41Å; L146-I153 HydrophobicContact CD2-CG2 3.94Å; L146-I153 HydrophobicContact CG-CD1 3.8Å; L146-I153 HydrophobicContact CG-CG2 4.06Å; L146-I153 WeakPolarHBondContact O-CD1 3.21Å; I147-I153 HydrophobicContact CG1-CG2 4.34Å; S150-I153 WeakPolarHBondContact O-CB 3.28Å; S150-I153 PolarHBondContact O-N 3.5Å; S150-I153 VanDerWaalsContact O-N 3.1Å; T151-I153 VanDerWaalsContact C-N 3.29Å; T151-I153 PolarHBondContact O-N 3.32Å; I153-Y155 PolarHBondContact O-N 2.8Å; I153-L156 PolarHBondContact O-N 3.3Å; I153-L157 WeakPolarHBondContact O-CB 3.42Å; I153-L157 PolarHBondContact O-N 3.04Å
154L81.9Confident82.2Confident1 Ų147.9 Ų47.91%0.00524%0.235CC..Hα-helixtrans-63-44.9178.9-177.264000112.3I147 T151 K152 L156 L157 L158 C185 S189I147-L154 HydrophobicContact CD1-CD1 3.93Å; I147-L154 HydrophobicContact CG1-CD1 4.4Å; I147-L154 HydrophobicContact CG2-CB 3.88Å; I147-L154 HydrophobicContact CG2-CD1 4.32Å; T151-L154 PolarHBondContact O-N 3.31Å; K152-L154 VanDerWaalsContact C-N 3.31Å; K152-L154 PolarHBondContact O-N 3.03Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 PolarHBondContact O-N 3.48Å; L154-L157 PolarHBondContact O-N 3.16Å; L154-L158 HydrophobicContact CD1-CD1 4.08Å; L154-L158 HydrophobicContact CD1-CG 4Å; L154-L158 HydrophobicContact CD2-CD1 4.28Å; L154-L158 HydrophobicContact CG-CD1 3.91Å; L154-L158 HydrophobicContact CG-CG 4.23Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.47Å; L154-C185 HydrophobicContact CD1-CB 3.51Å; L154-C185 VanDerWaalsContact CD1-SG 3.59Å; L154-C185 HydrophobicContact CD2-CB 4.31Å; L154-C185 WeakPolarHBondContact CD2-O 3.45Å; L154-S189 WeakPolarHBondContact CD2-OG 3.46Å
155Y82.3Confident82.2Confident66 Ų6649.1 Ų49.126%0.25924%0.242SC..Hα-helixtrans-60.2-42.6179.3170.4-108.4000111.3K152 I153 K159 S192 R195 L196K152-Y155 PolarHBondContact O-N 3.08Å; I153-Y155 PolarHBondContact O-N 2.8Å; Y155-K159 HydrophobicContact CE1-CD 4.28Å; Y155-K159 WeakPolarHBondContact O-CB 3.32Å; Y155-K159 PolarHBondContact O-N 3Å; Y155-S192 WeakPolarHBondContact CD2-O 3.49Å; Y155-R195 HydrophobicContact CD2-CB 3.8Å; Y155-R195 HydrophobicContact CE2-CB 3.55Å; Y155-L196 HydrophobicContact CD2-CD2 4.26Å; Y155-L196 HydrophobicContact CE2-CD2 4.14Å
156L82Confident82.1Confident16 Ų1644.9 Ų44.98%0.08422%0.224CC..Hα-helixtrans-66.8-38.9177.4-67.1176.3000112.2I97 I101 K152 I153 L154 K159 S160I97-L156 HydrophobicContact CB-CD1 4.23Å; I97-L156 HydrophobicContact CG2-CD1 3.65Å; I101-L156 HydrophobicContact CD1-CB 3.62Å; K152-L156 PolarHBondContact O-N 3.13Å; I153-L156 PolarHBondContact O-N 3.3Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 PolarHBondContact O-N 3.48Å; L156-K159 PolarHBondContact O-N 2.93Å; L156-S160 PolarHBondContact O-N 3.25Å; L156-S160 VanDerWaalsContact O-N 3.1Å
157L84.9Confident82.1Confident0 Ų044.8 Ų44.80%022%0.223CC..Hα-helixtrans-63.3-49176.2-177.7144.6000111.8I101 L143 I147 I153 L154 K159 S160 F163 F181I101-L157 HydrophobicContact CD1-CB 4.37Å; I101-L157 HydrophobicContact CG2-CB 4.1Å; I101-L157 HydrophobicContact CG2-CD1 4.39Å; I101-L157 HydrophobicContact CG2-CG 4.29Å; L143-L157 HydrophobicContact CD1-CD1 4.24Å; L143-L157 HydrophobicContact CD2-CD1 4.17Å; I147-L157 HydrophobicContact CD1-CD1 4.33Å; I153-L157 WeakPolarHBondContact O-CB 3.42Å; I153-L157 PolarHBondContact O-N 3.04Å; L154-L157 PolarHBondContact O-N 3.16Å; L157-K159 VanDerWaalsContact C-N 3.28Å; L157-K159 PolarHBondContact O-N 3.43Å; L157-S160 WeakPolarHBondContact O-CB 3.45Å; L157-S160 PolarHBondContact O-N 2.91Å; L157-S160 VanDerWaalsContact O-N 3.12Å; L157-F163 HydrophobicContact CD2-CD2 3.54Å; L157-F163 HydrophobicContact CD2-CE2 3.74Å; L157-F163 HydrophobicContact CD2-CG 3.97Å; L157-F163 HydrophobicContact CD2-CZ 4.33Å; L157-F163 HydrophobicContact CG-CD2 4.32Å; L157-F163 VanDerWaalsContact O-CB 3.26Å; L157-F163 WeakPolarHBondContact O-CB 3.39Å; L157-F181 HydrophobicContact CD1-CZ 4.44Å; L157-F181 HydrophobicContact CD2-CE1 4.21Å
158L82Confident82.1Confident5 Ų548.7 Ų48.73%0.02624%0.243CC..Hα-helixtrans-68.1-28.7179.2-66.6176.3000112.8L154 S160 F163 F182 F193 L196L154-L158 HydrophobicContact CD1-CD1 4.08Å; L154-L158 HydrophobicContact CD1-CG 4Å; L154-L158 HydrophobicContact CD2-CD1 4.28Å; L154-L158 HydrophobicContact CG-CD1 3.91Å; L154-L158 HydrophobicContact CG-CG 4.23Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.47Å; L158-S160 VanDerWaalsContact C-N 3.3Å; L158-F163 HydrophobicContact CD2-CD1 4.13Å; L158-F163 HydrophobicContact CD2-CE1 3.6Å; L158-F163 HydrophobicContact CD2-CZ 4.01Å; L158-F182 HydrophobicContact CD2-CD2 4.23Å; L158-F182 HydrophobicContact CD2-CE2 4.04Å; L158-F193 HydrophobicContact CD1-CD2 4.05Å; L158-L196 HydrophobicContact CB-CD1 3.92Å; L158-L196 HydrophobicContact CB-CD2 4.05Å; L158-L196 HydrophobicContact CD1-CD1 4.23Å
159K84.9Confident81.8Confident113 Ų11343.5 Ų43.549%0.49122%0.219SC..Hα-helixtrans-73.8-22.7174.2-176.7-179172.8-169.50112.3Y155 L156 L157 L196Y155-K159 HydrophobicContact CE1-CD 4.28Å; Y155-K159 WeakPolarHBondContact O-CB 3.32Å; Y155-K159 PolarHBondContact O-N 3Å; L156-K159 PolarHBondContact O-N 2.93Å; L157-K159 VanDerWaalsContact C-N 3.28Å; L157-K159 PolarHBondContact O-N 3.43Å; K159-L196 HydrophobicContact CB-CD2 4.33Å
160S85.3Confident81.6Confident11 Ų1145.2 Ų45.28%0.07724%0.235CC..  trans-66.7129.1-175.2-178.30000111.1D102 L156 L157 L158 C162 F163 L164D102-S160 PolarHBondContact OD1-OG 3.36Å; L156-S160 PolarHBondContact O-N 3.25Å; L156-S160 VanDerWaalsContact O-N 3.1Å; L157-S160 WeakPolarHBondContact O-CB 3.45Å; L157-S160 PolarHBondContact O-N 2.91Å; L157-S160 VanDerWaalsContact O-N 3.12Å; L158-S160 VanDerWaalsContact C-N 3.3Å; S160-C162 PolarHBondContact O-N 3.29Å; S160-C162 PolarHBondContact OG-N 3.31Å; S160-F163 WeakPolarHBondContact O-CB 3.38Å; S160-F163 PolarHBondContact O-N 3.26Å; S160-F163 VanDerWaalsContact O-N 3.12Å; S160-L164 PolarHBondContact O-N 3.44Å
161P84.3Confident81.9Confident88 Ų8844.6 Ų44.657%0.57123%0.229SC*.Hα-helixtrans-64.1-25.2174.627.7-34.6000112F163 L164 Q165P161-F163 VanDerWaalsContact C-N 3.31Å; P161-L164 PolarHBondContact O-N 2.98Å; P161-Q165 VanDerWaalsContact O-CG 3.3Å; P161-Q165 WeakPolarHBondContact O-CG 3.48Å; P161-Q165 PolarHBondContact O-N 3.44Å
162C84.2Confident82.2Confident29 Ų2945 Ų4520%0.19622%0.223CC..Hα-helixtrans-64-38.2175-66.10000111.2L105 S160 Q165 L166L105-C162 HydrophobicContact CB-CB 3.89Å; L105-C162 HydrophobicContact CD1-CB 3.88Å; S160-C162 PolarHBondContact O-N 3.29Å; S160-C162 PolarHBondContact OG-N 3.31Å; C162-Q165 PolarHBondContact O-N 3.17Å; C162-L166 WeakPolarHBondContact O-CG 3.44Å; C162-L166 PolarHBondContact O-N 3.14Å
163F86.8Confident82.3Confident4 Ų443.2 Ų43.22%0.01822%0.217CC..Hα-helixtrans-66.2-45.5176.6177.9-99000111.3L105 L157 L158 S160 P161 Q165 L166 F167 F181 F182L105-F163 HydrophobicContact CD1-CB 4.09Å; L105-F163 HydrophobicContact CD2-CB 4.29Å; L105-F163 HydrophobicContact CD2-CD2 4.24Å; L157-F163 HydrophobicContact CD2-CD2 3.54Å; L157-F163 HydrophobicContact CD2-CE2 3.74Å; L157-F163 HydrophobicContact CD2-CG 3.97Å; L157-F163 HydrophobicContact CD2-CZ 4.33Å; L157-F163 HydrophobicContact CG-CD2 4.32Å; L157-F163 VanDerWaalsContact O-CB 3.26Å; L157-F163 WeakPolarHBondContact O-CB 3.39Å; L158-F163 HydrophobicContact CD2-CD1 4.13Å; L158-F163 HydrophobicContact CD2-CE1 3.6Å; L158-F163 HydrophobicContact CD2-CZ 4.01Å; S160-F163 WeakPolarHBondContact O-CB 3.38Å; S160-F163 PolarHBondContact O-N 3.26Å; S160-F163 VanDerWaalsContact O-N 3.12Å; P161-F163 VanDerWaalsContact C-N 3.31Å; F163-Q165 VanDerWaalsContact C-N 3.3Å; F163-Q165 PolarHBondContact O-N 2.79Å; F163-L166 WeakPolarHBondContact O-CB 3.43Å; F163-L166 PolarHBondContact O-N 3.17Å; F163-L166 VanDerWaalsContact O-N 3.1Å; F163-F167 HydrophobicContact CZ-CD2 4.35Å; F163-F167 PolarHBondContact O-N 2.98Å; F163-F181 HydrophobicContact CE2-CD1 4.25Å; F163-F181 HydrophobicContact CE2-CE1 4.14Å; F163-F182 HydrophobicContact CE1-CD2 4.46Å; F163-F182 HydrophobicContact CZ-CD2 4.21Å
164L84.4Confident82.4Confident29 Ų2943.1 Ų43.115%0.15222%0.216CC..Hα-helixtrans-59.9-41.5176.8-175.465.7000111.6S160 P161 L166 F167 I168 L200 D203 I204S160-L164 PolarHBondContact O-N 3.44Å; P161-L164 PolarHBondContact O-N 2.98Å; L164-L166 VanDerWaalsContact C-N 3.31Å; L164-L166 PolarHBondContact O-N 3.16Å; L164-F167 PolarHBondContact O-N 3.08Å; L164-F167 VanDerWaalsContact O-N 3.17Å; L164-I168 HydrophobicContact CD1-CD1 4.34Å; L164-I168 HydrophobicContact CG-CD1 3.97Å; L164-I168 VanDerWaalsContact O-CG1 3.3Å; L164-I168 WeakPolarHBondContact O-CG1 3.38Å; L164-I168 PolarHBondContact O-N 2.91Å; L164-L200 HydrophobicContact CD2-CD2 4.17Å; L164-D203 HydrophobicContact CD1-CB 3.97Å; L164-D203 HydrophobicContact CD2-CB 4.19Å; L164-I204 HydrophobicContact CD1-CG1 4.25Å
165Q84.8Confident82.5Confident97 Ų9743.2 Ų43.245%0.45322%0.216SC..Hα-helixtrans-65-32.1175.6-73.1175.57.900113.7P161 C162 F163P161-Q165 VanDerWaalsContact O-CG 3.3Å; P161-Q165 WeakPolarHBondContact O-CG 3.48Å; P161-Q165 PolarHBondContact O-N 3.44Å; C162-Q165 PolarHBondContact O-N 3.17Å; F163-Q165 VanDerWaalsContact C-N 3.3Å; F163-Q165 PolarHBondContact O-N 2.79Å
166L82.5Confident82.6Confident2 Ų241.9 Ų41.91%0.0121%0.214CC..Hα-helixtrans-70.5-40.6172-70.9173.5000110.5L105 L108 K109 C162 F163 L164 I168 T169 F174 L178L105-L166 HydrophobicContact CB-CD1 4.25Å; L105-L166 HydrophobicContact CD2-CD1 3.78Å; L108-L166 HydrophobicContact CB-CD1 3.89Å; L108-L166 HydrophobicContact CB-CD2 4.35Å; L108-L166 HydrophobicContact CD1-CD1 4.28Å; K109-L166 VanDerWaalsContact CA-CD2 3.49Å; K109-L166 HydrophobicContact CB-CD2 3.72Å; K109-L166 HydrophobicContact CG-CD2 4.26Å; C162-L166 WeakPolarHBondContact O-CG 3.44Å; C162-L166 PolarHBondContact O-N 3.14Å; F163-L166 WeakPolarHBondContact O-CB 3.43Å; F163-L166 PolarHBondContact O-N 3.17Å; F163-L166 VanDerWaalsContact O-N 3.1Å; L164-L166 VanDerWaalsContact C-N 3.31Å; L164-L166 PolarHBondContact O-N 3.16Å; L166-I168 PolarHBondContact O-N 3.49Å; L166-T169 PolarHBondContact O-OG1 3.01Å; L166-F174 HydrophobicContact CD2-CE1 4.38Å; L166-F174 HydrophobicContact CD2-CZ 4.15Å; L166-L178 VanDerWaalsContact C-CD1 3.45Å; L166-L178 HydrophobicContact CB-CD1 4.14Å; L166-L178 WeakPolarHBondContact O-CD1 3.25Å
167F81.9Confident82.7Confident3 Ų342.4 Ų42.41%0.01322%0.216CC..Hα-helixtrans-64.4-39.2-178.2-159.5-106.1000112.6F163 L164 T169 L178 I179 F182 I204 E207 L208F163-F167 HydrophobicContact CZ-CD2 4.35Å; F163-F167 PolarHBondContact O-N 2.98Å; L164-F167 PolarHBondContact O-N 3.08Å; L164-F167 VanDerWaalsContact O-N 3.17Å; F167-T169 PolarHBondContact O-N 3.12Å; F167-L178 HydrophobicContact CD2-CB 4.31Å; F167-I179 HydrophobicContact CE2-CG1 4.4Å; F167-I179 HydrophobicContact CZ-CG1 4.42Å; F167-F182 HydrophobicContact CE2-CB 4.03Å; F167-F182 HydrophobicContact CE2-CD1 4.41Å; F167-F182 HydrophobicContact CE2-CG 4.12Å; F167-F182 HydrophobicContact CZ-CD1 4.3Å; F167-F182 HydrophobicContact CZ-CG 4.43Å; F167-I204 HydrophobicContact CE1-CG2 4.06Å; F167-I204 HydrophobicContact CZ-CG2 4.44Å; F167-E207 HydrophobicContact CD1-CB 3.72Å; F167-E207 HydrophobicContact CD1-CG 4.06Å; F167-E207 HydrophobicContact CE1-CB 3.66Å; F167-E207 HydrophobicContact CE1-CG 4.49Å; F167-L208 HydrophobicContact CE1-CD2 4.45Å; F167-L208 HydrophobicContact CE1-CG 4.36Å; F167-L208 HydrophobicContact CZ-CD2 3.92Å; F167-L208 HydrophobicContact CZ-CG 4.24Å
168I82.5Confident82.8Confident86 Ų8642.5 Ų42.544%0.44122%0.217SC..SBendtrans-74.286.7173.6-56.2162.3000108.8L164 L166 E207L164-I168 HydrophobicContact CD1-CD1 4.34Å; L164-I168 HydrophobicContact CG-CD1 3.97Å; L164-I168 VanDerWaalsContact O-CG1 3.3Å; L164-I168 WeakPolarHBondContact O-CG1 3.38Å; L164-I168 PolarHBondContact O-N 2.91Å; L166-I168 PolarHBondContact O-N 3.49Å; I168-E207 HydrophobicContact CB-CG 4.45Å; I168-E207 HydrophobicContact CG1-CG 3.65Å
169T76.3Confident82.9Confident7 Ų742.3 Ų42.34%0.04322%0.216CC..  trans-139.2126.5-178.7-680000112.5Q112 L166 F167 N171 F174 H211Q112-T169 VanDerWaalsContact NE2-CG2 3.26Å; Q112-T169 PolarHBondContact NE2-OG1 3.32Å; L166-T169 PolarHBondContact O-OG1 3.01Å; F167-T169 PolarHBondContact O-N 3.12Å; T169-N171 VanDerWaalsContact C-N 3.29Å; T169-N171 HydrophobicContact CG2-CB 3.63Å; T169-N171 PolarHBondContact O-N 3.44Å; T169-F174 HydrophobicContact CG2-CB 4.23Å; T169-F174 HydrophobicContact CG2-CD1 3.68Å; T169-F174 HydrophobicContact CG2-CG 4.4Å; T169-H211 PolarHBondContact O-CE1 3.24Å; T169-H211 VanDerWaalsContact O-CE1 3.23Å
170D73.9Confident82.9Confident131 Ų13140.3 Ų40.370%0.70121%0.208SC*.  trans-75.5-13.5175.6-64.9-47.1000114.3K172 Y210D170-K172 PolarHBondContact O-N 3.34Å; D170-Y210 PolarHBondContact OD1-OH 2.84Å
171N81.1Confident82.9Confident17 Ų1740.3 Ų40.39%0.09121%0.207CC..  trans-73.6119.6177.8-172.5-66.7000111.8Y115 L116 T169 E173 F174 S175Y115-N171 WeakPolarHBondContact CE1-ND2 3.3Å; L116-N171 HydrophobicContact CD2-CB 4.31Å; T169-N171 VanDerWaalsContact C-N 3.29Å; T169-N171 HydrophobicContact CG2-CB 3.63Å; T169-N171 PolarHBondContact O-N 3.44Å; N171-E173 PolarHBondContact O-N 2.72Å; N171-E173 PolarHBondContact OD1-N 2.97Å; N171-F174 HydrophobicContact CB-CB 4.16Å; N171-F174 PolarHBondContact O-N 3.14Å; N171-F174 PolarHBondContact OD1-N 2.94Å; N171-S175 WeakPolarHBondContact O-CB 3.28Å; N171-S175 PolarHBondContact O-N 3.38Å; N171-S175 PolarHBondContact O-OG 3.07Å
172K79.5Confident83Confident104 Ų10436.1 Ų36.145%0.45218%0.18SC..Hα-helixtrans-59.1-41.3-178176.3178.1177.2-163.50115.3D170 S175 L176 M215 N217 M220D170-K172 PolarHBondContact O-N 3.34Å; K172-S175 WeakPolarHBondContact CA-OG 3.29Å; K172-S175 PolarHBondContact O-OG 3.23Å; K172-L176 WeakPolarHBondContact O-CB 3.43Å; K172-L176 PolarHBondContact O-N 3.01Å; K172-M215 HydrophobicContact CB-CE 3.65Å; K172-M215 HydrophobicContact CD-CE 4.13Å; K172-M215 HydrophobicContact CG-CE 3.54Å; K172-N217 WeakPolarHBondContact CE-ND2 3.2Å; K172-M220 HydrophobicContact CG-CE 3.91Å; K172-M220 HydrophobicContact CG-SD 4.12Å; K172-M220 WeakPolarHBondContact O-CE 3.22Å
173E81.1Confident82.9Confident94 Ų9435.8 Ų35.844%0.43918%0.176SC..Hα-helixtrans-74.1-40.3-176.8-70168.2-174.600110.6Y115 L133 N171 L176 L177Y115-E173 PolarHBondContact OH-OE2 3.38Å; L133-E173 VanDerWaalsContact CD1-OE2 3.26Å; L133-E173 WeakPolarHBondContact CD1-OE2 3.36Å; L133-E173 HydrophobicContact CD2-CB 4.21Å; N171-E173 PolarHBondContact O-N 2.72Å; N171-E173 PolarHBondContact OD1-N 2.97Å; E173-L176 WeakPolarHBondContact O-CB 3.46Å; E173-L176 PolarHBondContact O-N 2.88Å; E173-L177 PolarHBondContact O-N 3.16Å
174F83.5Confident82.8Confident3 Ų337.4 Ų37.41%0.01319%0.186CC..Hα-helixtrans-70.7-42.2178.2-168.4-108.8000112.5Q112 I136 L166 T169 N171 L176 L177 L178Q112-F174 HydrophobicContact CB-CE1 4.32Å; Q112-F174 HydrophobicContact CB-CE2 4.2Å; Q112-F174 HydrophobicContact CB-CZ 3.98Å; Q112-F174 HydrophobicContact CG-CD1 4.1Å; Q112-F174 HydrophobicContact CG-CD2 4.49Å; Q112-F174 HydrophobicContact CG-CE1 3.88Å; Q112-F174 HydrophobicContact CG-CE2 4.35Å; Q112-F174 HydrophobicContact CG-CG 4.36Å; Q112-F174 HydrophobicContact CG-CZ 4.03Å; I136-F174 HydrophobicContact CD1-CD2 4.05Å; I136-F174 HydrophobicContact CD1-CE2 3.95Å; I136-F174 HydrophobicContact CG1-CE2 4.43Å; I136-F174 HydrophobicContact CG2-CD2 4.06Å; I136-F174 HydrophobicContact CG2-CE2 3.68Å; L166-F174 HydrophobicContact CD2-CE1 4.38Å; L166-F174 HydrophobicContact CD2-CZ 4.15Å; T169-F174 HydrophobicContact CG2-CB 4.23Å; T169-F174 HydrophobicContact CG2-CD1 3.68Å; T169-F174 HydrophobicContact CG2-CG 4.4Å; N171-F174 HydrophobicContact CB-CB 4.16Å; N171-F174 PolarHBondContact O-N 3.14Å; N171-F174 PolarHBondContact OD1-N 2.94Å; F174-L176 VanDerWaalsContact C-N 3.26Å; F174-L176 PolarHBondContact O-N 3.49Å; F174-L177 PolarHBondContact O-N 2.89Å; F174-L178 HydrophobicContact CD1-CD1 3.69Å; F174-L178 HydrophobicContact CD1-CG 4.18Å; F174-L178 HydrophobicContact CE1-CD1 3.31Å; F174-L178 HydrophobicContact CE1-CG 3.96Å; F174-L178 HydrophobicContact CZ-CD1 3.93Å; F174-L178 HydrophobicContact CZ-CD2 4.35Å; F174-L178 HydrophobicContact CZ-CG 4.19Å; F174-L178 PolarHBondContact O-N 3.38Å
175S84.4Confident82.6Confident2 Ų236 Ų361%0.01418%0.179CC..Hα-helixtrans-62.6-35.3175.560.40000111.5N171 K172 L178 I179 M220N171-S175 WeakPolarHBondContact O-CB 3.28Å; N171-S175 PolarHBondContact O-N 3.38Å; N171-S175 PolarHBondContact O-OG 3.07Å; K172-S175 WeakPolarHBondContact CA-OG 3.29Å; K172-S175 PolarHBondContact O-OG 3.23Å; S175-L178 PolarHBondContact O-N 3.35Å; S175-I179 WeakPolarHBondContact O-CB 3.22Å; S175-I179 VanDerWaalsContact O-CD1 3.32Å; S175-I179 WeakPolarHBondContact O-CD1 3.3Å; S175-I179 WeakPolarHBondContact O-CG1 3.48Å; S175-I179 PolarHBondContact O-N 3.35Å; S175-M220 WeakPolarHBondContact OG-CE 3.48Å
176L83.5Confident82.3Confident38 Ų3831.6 Ų31.620%0.19916%0.158CC..Hα-helixtrans-59.6-49.4172.8-17366.1000112.1K172 E173 F174 L178 I179 E180 M220 K223K172-L176 WeakPolarHBondContact O-CB 3.43Å; K172-L176 PolarHBondContact O-N 3.01Å; E173-L176 WeakPolarHBondContact O-CB 3.46Å; E173-L176 PolarHBondContact O-N 2.88Å; F174-L176 VanDerWaalsContact C-N 3.26Å; F174-L176 PolarHBondContact O-N 3.49Å; L176-L178 VanDerWaalsContact C-N 3.33Å; L176-L178 PolarHBondContact O-N 2.82Å; L176-I179 PolarHBondContact O-N 3.26Å; L176-E180 WeakPolarHBondContact O-CB 3.5Å; L176-E180 PolarHBondContact O-N 3.48Å; L176-M220 HydrophobicContact CB-CE 4.12Å; L176-M220 HydrophobicContact CD1-CB 4.14Å; L176-M220 HydrophobicContact CD1-CG 4.11Å; L176-K223 HydrophobicContact CD1-CG 4.24Å
177L84.2Confident82.2Confident27 Ų2735.8 Ų35.814%0.14118%0.181CC..Hα-helixtrans-61.7-40.6178.8-70.4172.6000111.9L133 I136 L140 E173 F174 F181L133-L177 HydrophobicContact CD2-CD1 4.22Å; I136-L177 HydrophobicContact CG2-CD1 4.08Å; L140-L177 HydrophobicContact CD1-CB 4.1Å; E173-L177 PolarHBondContact O-N 3.16Å; F174-L177 PolarHBondContact O-N 2.89Å; L177-F181 WeakPolarHBondContact O-CB 3.28Å; L177-F181 PolarHBondContact O-N 2.88Å
178L87.1Confident82.2Confident2 Ų239 Ų391%0.0120%0.198CC..Hα-helixtrans-72-39.3179-72.5-175000113.2L140 L166 F167 F174 S175 L176 E180 F181 F182L140-L178 HydrophobicContact CD1-CD2 4.39Å; L140-L178 HydrophobicContact CD2-CD2 4.08Å; L166-L178 VanDerWaalsContact C-CD1 3.45Å; L166-L178 HydrophobicContact CB-CD1 4.14Å; L166-L178 WeakPolarHBondContact O-CD1 3.25Å; F167-L178 HydrophobicContact CD2-CB 4.31Å; F174-L178 HydrophobicContact CD1-CD1 3.69Å; F174-L178 HydrophobicContact CD1-CG 4.18Å; F174-L178 HydrophobicContact CE1-CD1 3.31Å; F174-L178 HydrophobicContact CE1-CG 3.96Å; F174-L178 HydrophobicContact CZ-CD1 3.93Å; F174-L178 HydrophobicContact CZ-CD2 4.35Å; F174-L178 HydrophobicContact CZ-CG 4.19Å; F174-L178 PolarHBondContact O-N 3.38Å; S175-L178 PolarHBondContact O-N 3.35Å; L176-L178 VanDerWaalsContact C-N 3.33Å; L176-L178 PolarHBondContact O-N 2.82Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-F181 PolarHBondContact O-N 2.96Å; L178-F182 WeakPolarHBondContact O-CB 3.22Å; L178-F182 PolarHBondContact O-N 2.92Å
179I85Confident81.9Confident1 Ų135.4 Ų35.41%0.00518%0.18CC..Hα-helixtrans-64.3-41.7174.9-69.3160.9000109.7F167 S175 L176 F182 I183 L208 K223 I224F167-I179 HydrophobicContact CE2-CG1 4.4Å; F167-I179 HydrophobicContact CZ-CG1 4.42Å; S175-I179 WeakPolarHBondContact O-CB 3.22Å; S175-I179 VanDerWaalsContact O-CD1 3.32Å; S175-I179 WeakPolarHBondContact O-CD1 3.3Å; S175-I179 WeakPolarHBondContact O-CG1 3.48Å; S175-I179 PolarHBondContact O-N 3.35Å; L176-I179 PolarHBondContact O-N 3.26Å; I179-F182 PolarHBondContact O-N 3.01Å; I179-I183 HydrophobicContact CG2-CD1 4.28Å; I179-I183 VanDerWaalsContact O-CG1 3.31Å; I179-I183 WeakPolarHBondContact O-CG1 3.34Å; I179-I183 PolarHBondContact O-N 3.33Å; I179-L208 HydrophobicContact CG1-CD2 4.34Å; I179-K223 HydrophobicContact CG2-CB 4.1Å; I179-I224 HydrophobicContact CD1-CD1 4.28Å; I179-I224 HydrophobicContact CD1-CG1 3.76Å; I179-I224 HydrophobicContact CG2-CG1 4.42Å
180E84.2Confident81.7Confident72 Ų7236.8 Ų36.834%0.33619%0.189SC..Hα-helixtrans-61.4-46.6174.6177.1160.5-121.700112L176 L178 F182 I183 V184 K223L176-E180 WeakPolarHBondContact O-CB 3.5Å; L176-E180 PolarHBondContact O-N 3.48Å; L178-E180 VanDerWaalsContact C-N 3.32Å; E180-F182 VanDerWaalsContact C-N 3.29Å; E180-F182 PolarHBondContact O-N 3.01Å; E180-I183 PolarHBondContact O-N 3.3Å; E180-V184 WeakPolarHBondContact O-CG2 3.39Å; E180-V184 PolarHBondContact O-N 2.69Å; E180-K223 IonicContact OE1-NZ 3.01Å; E180-K223 PolarHBondContact OE1-NZ 3.22Å
181F86.6Confident81.8Confident11 Ų1136.9 Ų36.95%0.04819%0.185CC..Hα-helixtrans-61-38.9174.3178.8-103.1000112.1L140 L143 K144 I147 L157 F163 L177 L178 V184 C185L140-F181 HydrophobicContact CB-CD2 4.15Å; L140-F181 HydrophobicContact CD1-CB 4.48Å; L140-F181 HydrophobicContact CD2-CB 4.33Å; L140-F181 HydrophobicContact CD2-CD1 4.1Å; L140-F181 HydrophobicContact CD2-CD2 4.13Å; L140-F181 HydrophobicContact CD2-CE1 4.45Å; L140-F181 HydrophobicContact CD2-CE2 4.49Å; L140-F181 HydrophobicContact CD2-CG 3.92Å; L140-F181 WeakPolarHBondContact O-CE2 3.29Å; L143-F181 HydrophobicContact CB-CE2 3.98Å; L143-F181 HydrophobicContact CB-CZ 3.81Å; L143-F181 HydrophobicContact CD1-CZ 4.42Å; K144-F181 HydrophobicContact CB-CE2 4.26Å; I147-F181 HydrophobicContact CD1-CE2 4.25Å; I147-F181 HydrophobicContact CD1-CZ 3.67Å; L157-F181 HydrophobicContact CD1-CZ 4.44Å; L157-F181 HydrophobicContact CD2-CE1 4.21Å; F163-F181 HydrophobicContact CE2-CD1 4.25Å; F163-F181 HydrophobicContact CE2-CE1 4.14Å; L177-F181 WeakPolarHBondContact O-CB 3.28Å; L177-F181 PolarHBondContact O-N 2.88Å; L178-F181 PolarHBondContact O-N 2.96Å; F181-V184 WeakPolarHBondContact O-CB 3.32Å; F181-V184 PolarHBondContact O-N 2.88Å; F181-C185 WeakPolarHBondContact CE1-SG 3.33Å; F181-C185 PolarHBondContact O-N 3.11Å; F181-C185 PolarHBondContact O-SG 2.77Å
182F86.2Confident81.6Confident0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-66.6-37.7178.7-178-112.8000112.4L158 F163 F167 L178 I179 E180 V184 C185 I186 F193 I204 L208 S227 L231L158-F182 HydrophobicContact CD2-CD2 4.23Å; L158-F182 HydrophobicContact CD2-CE2 4.04Å; F163-F182 HydrophobicContact CE1-CD2 4.46Å; F163-F182 HydrophobicContact CZ-CD2 4.21Å; F167-F182 HydrophobicContact CE2-CB 4.03Å; F167-F182 HydrophobicContact CE2-CD1 4.41Å; F167-F182 HydrophobicContact CE2-CG 4.12Å; F167-F182 HydrophobicContact CZ-CD1 4.3Å; F167-F182 HydrophobicContact CZ-CG 4.43Å; L178-F182 WeakPolarHBondContact O-CB 3.22Å; L178-F182 PolarHBondContact O-N 2.92Å; I179-F182 PolarHBondContact O-N 3.01Å; E180-F182 VanDerWaalsContact C-N 3.29Å; E180-F182 PolarHBondContact O-N 3.01Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 3.4Å; F182-C185 WeakPolarHBondContact O-CB 3.44Å; F182-C185 PolarHBondContact O-N 2.97Å; F182-I186 HydrophobicContact CD1-CD1 3.7Å; F182-I186 HydrophobicContact CD1-CG1 4.47Å; F182-I186 HydrophobicContact CE1-CD1 3.21Å; F182-I186 HydrophobicContact CE1-CG1 4.07Å; F182-I186 HydrophobicContact CE2-CD1 4.17Å; F182-I186 HydrophobicContact CE2-CG1 4.12Å; F182-I186 HydrophobicContact CG-CD1 4.35Å; F182-I186 HydrophobicContact CZ-CD1 3.47Å; F182-I186 VanDerWaalsContact CZ-CD1 3.47Å; F182-I186 HydrophobicContact CZ-CG1 3.86Å; F182-I186 WeakPolarHBondContact O-CG1 3.32Å; F182-I186 PolarHBondContact O-N 2.94Å; F182-F193 HydrophobicContact CE2-CD2 4.22Å; F182-F193 AromaticContact CE2-CE2 3.77Å; F182-F193 HydrophobicContact CE2-CE2 3.77Å; F182-F193 HydrophobicContact CZ-CD2 4.15Å; F182-F193 AromaticContact CZ-CE2 3.5Å; F182-F193 HydrophobicContact CZ-CE2 3.5Å; F182-F193 VanDerWaalsContact CZ-CE2 3.5Å; F182-F193 HydrophobicContact CZ-CZ 4.2Å; F182-I204 HydrophobicContact CE1-CG2 3.95Å; F182-I204 HydrophobicContact CE2-CD1 4.5Å; F182-I204 HydrophobicContact CE2-CG2 4.12Å; F182-I204 HydrophobicContact CZ-CG2 3.54Å; F182-L208 HydrophobicContact CE1-CD1 4.13Å; F182-S227 WeakPolarHBondContact CD1-OG 3.39Å; F182-S227 WeakPolarHBondContact CE1-OG 3.47Å; F182-L231 HydrophobicContact CE1-CD1 4.26Å; F182-L231 HydrophobicContact CZ-CD1 4.17Å
183I82.4Confident81.4Confident22 Ų2231.6 Ų31.611%0.11316%0.162CC..Hα-helixtrans-60.2-45.4171.5-66.5162.8000110.5I179 E180 C185 I186 N187 K223 K226I179-I183 HydrophobicContact CG2-CD1 4.28Å; I179-I183 VanDerWaalsContact O-CG1 3.31Å; I179-I183 WeakPolarHBondContact O-CG1 3.34Å; I179-I183 PolarHBondContact O-N 3.33Å; E180-I183 PolarHBondContact O-N 3.3Å; I183-C185 VanDerWaalsContact C-N 3.3Å; I183-C185 PolarHBondContact O-N 3.4Å; I183-I186 PolarHBondContact O-N 2.85Å; I183-N187 WeakPolarHBondContact O-CB 3.43Å; I183-N187 VanDerWaalsContact O-CG 3.29Å; I183-N187 PolarHBondContact O-N 2.76Å; I183-N187 VanDerWaalsContact O-N 3.07Å; I183-N187 PolarHBondContact O-ND2 2.87Å; I183-K223 HydrophobicContact CD1-CB 4.25Å; I183-K223 HydrophobicContact CD1-CD 4.23Å; I183-K223 WeakPolarHBondContact CD1-O 3.23Å; I183-K226 HydrophobicContact CD1-CB 4.33Å
184V83.3Confident81.3Confident38 Ų3831.6 Ų31.623%0.2317%0.165CC..Hα-helixtrans-60.2-42.9176.4175.30000110.7K144 E180 F181 F182 N187 L188K144-V184 HydrophobicContact CD-CG1 3.94Å; K144-V184 HydrophobicContact CG-CG1 3.96Å; E180-V184 WeakPolarHBondContact O-CG2 3.39Å; E180-V184 PolarHBondContact O-N 2.69Å; F181-V184 WeakPolarHBondContact O-CB 3.32Å; F181-V184 PolarHBondContact O-N 2.88Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 3.4Å; V184-N187 PolarHBondContact O-N 2.96Å; V184-L188 HydrophobicContact CG1-CD1 3.94Å; V184-L188 HydrophobicContact CG1-CG 4.45Å; V184-L188 VanDerWaalsContact O-CG 3.31Å; V184-L188 WeakPolarHBondContact O-CG 3.34Å; V184-L188 PolarHBondContact O-N 3.31Å; V184-L188 VanDerWaalsContact O-N 3.13Å
185C81.6Confident81.2Confident0 Ų039.1 Ų39.10%019%0.194CC..Hα-helixtrans-58-52.2176.4-72.40000112.4L154 F181 F182 I183 N187 L188 S189L154-C185 HydrophobicContact CD1-CB 3.51Å; L154-C185 VanDerWaalsContact CD1-SG 3.59Å; L154-C185 HydrophobicContact CD2-CB 4.31Å; L154-C185 WeakPolarHBondContact CD2-O 3.45Å; F181-C185 WeakPolarHBondContact CE1-SG 3.33Å; F181-C185 PolarHBondContact O-N 3.11Å; F181-C185 PolarHBondContact O-SG 2.77Å; F182-C185 WeakPolarHBondContact O-CB 3.44Å; F182-C185 PolarHBondContact O-N 2.97Å; I183-C185 VanDerWaalsContact C-N 3.3Å; I183-C185 PolarHBondContact O-N 3.4Å; C185-N187 VanDerWaalsContact C-N 3.27Å; C185-N187 PolarHBondContact O-N 3.34Å; C185-L188 PolarHBondContact O-N 2.84Å; C185-S189 PolarHBondContact O-N 3.11Å
186I78.5Confident81.1Confident4 Ų439.4 Ų39.42%0.02120%0.195CC..Hα-helixtrans-62.4-37.8-178.8-60.6161.7000111.3F182 I183 L188 V230 L231 K234F182-I186 HydrophobicContact CD1-CD1 3.7Å; F182-I186 HydrophobicContact CD1-CG1 4.47Å; F182-I186 HydrophobicContact CE1-CD1 3.21Å; F182-I186 HydrophobicContact CE1-CG1 4.07Å; F182-I186 HydrophobicContact CE2-CD1 4.17Å; F182-I186 HydrophobicContact CE2-CG1 4.12Å; F182-I186 HydrophobicContact CG-CD1 4.35Å; F182-I186 HydrophobicContact CZ-CD1 3.47Å; F182-I186 VanDerWaalsContact CZ-CD1 3.47Å; F182-I186 HydrophobicContact CZ-CG1 3.86Å; F182-I186 WeakPolarHBondContact O-CG1 3.32Å; F182-I186 PolarHBondContact O-N 2.94Å; I183-I186 PolarHBondContact O-N 2.85Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 3.45Å; I186-V230 HydrophobicContact CB-CG1 4.14Å; I186-V230 HydrophobicContact CG2-CG1 3.56Å; I186-L231 HydrophobicContact CD1-CB 4.33Å; I186-L231 HydrophobicContact CD1-CD1 4.25Å; I186-K234 HydrophobicContact CG2-CG 4.49Å
187N80Confident81.2Confident90 Ų9045 Ų4548%0.48122%0.217SC..Hα-helixtrans-67.8-32.2180-74.4-21.6000113.2I183 V184 C185 V230I183-N187 WeakPolarHBondContact O-CB 3.43Å; I183-N187 VanDerWaalsContact O-CG 3.29Å; I183-N187 PolarHBondContact O-N 2.76Å; I183-N187 VanDerWaalsContact O-N 3.07Å; I183-N187 PolarHBondContact O-ND2 2.87Å; V184-N187 PolarHBondContact O-N 2.96Å; C185-N187 VanDerWaalsContact C-N 3.27Å; C185-N187 PolarHBondContact O-N 3.34Å; N187-V230 VanDerWaalsContact OD1-CG1 3.28Å; N187-V230 WeakPolarHBondContact OD1-CG1 3.37Å
188L80.6Confident81.1Confident71 Ų7149 Ų4937%0.37224%0.235SC..Hα-helixtrans-72.8-45.7-178.6-73.7170.2000112.6I147 Q148 V184 C185 I186I147-L188 HydrophobicContact CB-CD1 4.36Å; I147-L188 HydrophobicContact CG2-CB 4.42Å; I147-L188 HydrophobicContact CG2-CD1 3.71Å; Q148-L188 HydrophobicContact CG-CD1 4.16Å; Q148-L188 HydrophobicContact CG-CD2 4.11Å; V184-L188 HydrophobicContact CG1-CD1 3.94Å; V184-L188 HydrophobicContact CG1-CG 4.45Å; V184-L188 VanDerWaalsContact O-CG 3.31Å; V184-L188 WeakPolarHBondContact O-CG 3.34Å; V184-L188 PolarHBondContact O-N 3.31Å; V184-L188 VanDerWaalsContact O-N 3.13Å; C185-L188 PolarHBondContact O-N 2.84Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 3.45Å
189S76.6Confident80.9Confident10 Ų1052 Ų527%0.0726%0.256CS..  trans-148.791.5176.559.40000112.4L154 C185 E191 S192L154-S189 WeakPolarHBondContact CD2-OG 3.46Å; C185-S189 PolarHBondContact O-N 3.11Å; S189-E191 PolarHBondContact O-N 2.86Å; S189-S192 WeakPolarHBondContact O-CB 3.41Å; S189-S192 PolarHBondContact O-N 3.44Å; S189-S192 VanDerWaalsContact O-N 3.15Å; S189-S192 PolarHBondContact OG-OG 3.44Å
190P71.6Confident80.9Confident36 Ų3653.6 Ų53.623%0.23427%0.265CS..Hα-helixtrans-63.4-28.3-179.325.1-34.1000112.7S192 F193 D194 K234P190-S192 PolarHBondContact O-N 3.42Å; P190-F193 PolarHBondContact O-N 3.24Å; P190-F193 VanDerWaalsContact O-N 3.13Å; P190-D194 PolarHBondContact O-N 3.19Å; P190-K234 HydrophobicContact CB-CB 3.92Å; P190-K234 HydrophobicContact CB-CD 3.68Å; P190-K234 HydrophobicContact CB-CG 3.78Å; P190-K234 HydrophobicContact CG-CD 3.93Å
191E76.3Confident80.9Confident133 Ų13351.1 Ų51.162%0.62125%0.253SS*.Hα-helixtrans-58.5-33.3176.5-60.3178.7-168.600112.9S189 F193 D194 R195S189-E191 PolarHBondContact O-N 2.86Å; E191-F193 VanDerWaalsContact C-N 3.27Å; E191-F193 PolarHBondContact O-N 2.89Å; E191-D194 PolarHBondContact O-N 2.92Å; E191-R195 WeakPolarHBondContact O-CG 3.36Å; E191-R195 PolarHBondContact O-N 3.22Å; E191-R195 IonicContact OE2-NH2 3.61Å
192S77Confident80.8Confident7 Ų751.4 Ų51.45%0.04926%0.255CS..Hα-helixtrans-64.9-34.5179.5-55.20000111.4Y155 S189 P190Y155-S192 WeakPolarHBondContact CD2-O 3.49Å; S189-S192 WeakPolarHBondContact O-CB 3.41Å; S189-S192 PolarHBondContact O-N 3.44Å; S189-S192 VanDerWaalsContact O-N 3.15Å; S189-S192 PolarHBondContact OG-OG 3.44Å; P190-S192 PolarHBondContact O-N 3.42Å
193F75.7Confident80.7Confident3 Ų354.2 Ų54.21%0.01327%0.27CS..Hα-helixtrans-73.1-37176.9-157.3-86.9000111.2L158 F182 P190 E191 R195 L196 K201 I204 L231 I235 L238L158-F193 HydrophobicContact CD1-CD2 4.05Å; F182-F193 HydrophobicContact CE2-CD2 4.22Å; F182-F193 AromaticContact CE2-CE2 3.77Å; F182-F193 HydrophobicContact CE2-CE2 3.77Å; F182-F193 HydrophobicContact CZ-CD2 4.15Å; F182-F193 AromaticContact CZ-CE2 3.5Å; F182-F193 HydrophobicContact CZ-CE2 3.5Å; F182-F193 VanDerWaalsContact CZ-CE2 3.5Å; F182-F193 HydrophobicContact CZ-CZ 4.2Å; P190-F193 PolarHBondContact O-N 3.24Å; P190-F193 VanDerWaalsContact O-N 3.13Å; E191-F193 VanDerWaalsContact C-N 3.27Å; E191-F193 PolarHBondContact O-N 2.89Å; F193-R195 VanDerWaalsContact C-N 3.29Å; F193-R195 PolarHBondContact O-N 3.36Å; F193-L196 HydrophobicContact CD2-CD1 3.75Å; F193-L196 HydrophobicContact CE2-CD1 3.93Å; F193-L196 HydrophobicContact CG-CD1 4.1Å; F193-L196 HydrophobicContact CZ-CD1 4.46Å; F193-L196 VanDerWaalsContact O-CB 3.32Å; F193-L196 WeakPolarHBondContact O-CB 3.33Å; F193-L196 PolarHBondContact O-N 3.44Å; F193-L196 VanDerWaalsContact O-N 3.11Å; F193-K201 HydrophobicContact CD1-CG 4.28Å; F193-K201 HydrophobicContact CE1-CB 4.19Å; F193-K201 HydrophobicContact CE1-CD 4.44Å; F193-K201 HydrophobicContact CE1-CG 3.79Å; F193-K201 HydrophobicContact CZ-CG 4.42Å; F193-K201 WeakPolarHBondContact O-CE 3.44Å; F193-I204 HydrophobicContact CE2-CD1 3.66Å; F193-I204 HydrophobicContact CE2-CG2 4.36Å; F193-I204 HydrophobicContact CZ-CB 4.43Å; F193-I204 HydrophobicContact CZ-CD1 3.97Å; F193-I204 HydrophobicContact CZ-CG2 4.25Å; F193-L231 HydrophobicContact CD1-CD1 4.45Å; F193-L231 HydrophobicContact CE1-CD1 3.75Å; F193-L231 HydrophobicContact CE1-CG 4.28Å; F193-L231 HydrophobicContact CE2-CD1 4.19Å; F193-L231 HydrophobicContact CZ-CD1 3.61Å; F193-I235 HydrophobicContact CB-CD1 4.25Å; F193-I235 HydrophobicContact CD1-CD1 3.52Å; F193-I235 HydrophobicContact CE1-CD1 4.38Å; F193-I235 HydrophobicContact CG-CD1 4.32Å; F193-L238 HydrophobicContact CE1-CD1 4.17Å
194D78.5Confident80.7Confident93 Ų9353.3 Ų53.350%0.49727%0.265SS..Hα-helixtrans-65.3-33.9178.5-168.342.5000112.7P190 E191 L196 K201 I235P190-D194 PolarHBondContact O-N 3.19Å; E191-D194 PolarHBondContact O-N 2.92Å; D194-L196 PolarHBondContact O-N 2.85Å; D194-K201 WeakPolarHBondContact O-CE 3.35Å; D194-K201 PolarHBondContact O-NZ 3.26Å; D194-K201 IonicContact OD1-NZ 3.61Å; D194-K201 PolarHBondContact OD1-NZ 2.98Å; D194-I235 HydrophobicContact CB-CD1 4.31Å
195R82Confident80.7Confident162 Ų16251.6 Ų51.661%0.61126%0.255SS*.THydrogen-bonded Turntrans-67.1-13.8174.5-66.2177.2-168.6-167.15.9114.2Y155 E191 F193Y155-R195 HydrophobicContact CD2-CB 3.8Å; Y155-R195 HydrophobicContact CE2-CB 3.55Å; E191-R195 WeakPolarHBondContact O-CG 3.36Å; E191-R195 PolarHBondContact O-N 3.22Å; E191-R195 IonicContact OE2-NH2 3.61Å; F193-R195 VanDerWaalsContact C-N 3.29Å; F193-R195 PolarHBondContact O-N 3.36Å
196L82.1Confident81Confident8 Ų853.8 Ų53.84%0.04227%0.266CS..SBendtrans-69.2148.3179.5-63.6173.7000111.8Y155 L158 K159 F193 D194 K201 I204Y155-L196 HydrophobicContact CD2-CD2 4.26Å; Y155-L196 HydrophobicContact CE2-CD2 4.14Å; L158-L196 HydrophobicContact CB-CD1 3.92Å; L158-L196 HydrophobicContact CB-CD2 4.05Å; L158-L196 HydrophobicContact CD1-CD1 4.23Å; K159-L196 HydrophobicContact CB-CD2 4.33Å; F193-L196 HydrophobicContact CD2-CD1 3.75Å; F193-L196 HydrophobicContact CE2-CD1 3.93Å; F193-L196 HydrophobicContact CG-CD1 4.1Å; F193-L196 HydrophobicContact CZ-CD1 4.46Å; F193-L196 VanDerWaalsContact O-CB 3.32Å; F193-L196 WeakPolarHBondContact O-CB 3.33Å; F193-L196 PolarHBondContact O-N 3.44Å; F193-L196 VanDerWaalsContact O-N 3.11Å; D194-L196 PolarHBondContact O-N 2.85Å; L196-K201 HydrophobicContact CB-CG 4.08Å; L196-K201 WeakPolarHBondContact O-CE 3.29Å; L196-I204 HydrophobicContact CD1-CD1 4.49Å
197K86.2Confident81.3Confident154 Ų15455 Ų5567%0.6727%0.272SS*.  trans-60.1145.2172.8-67.4-177178.8-178.40110.3S199 L200 K201K197-S199 PolarHBondContact O-N 3.43Å; K197-S199 VanDerWaalsContact O-N 3.13Å; K197-L200 PolarHBondContact O-N 2.86Å; K197-K201 PolarHBondContact O-N 2.9Å; K197-K201 VanDerWaalsContact O-N 3.14Å
198H81.2Confident81.4Confident111 Ų11150.8 Ų50.851%0.51425%0.249SC..Hα-helixtrans-56.3-32.4179.3-169.9-98000113.3I202H198-I202 WeakPolarHBondContact CE1-CD1 3.26Å; H198-I202 VanDerWaalsContact ND1-CD1 3.32Å; H198-I202 WeakPolarHBondContact ND1-CD1 3.41Å; H198-I202 WeakPolarHBondContact O-CG1 3.29Å; H198-I202 PolarHBondContact O-N 2.98Å; H198-I202 VanDerWaalsContact O-N 3.1Å
199S84.4Confident81.5Confident65 Ų6548.4 Ų48.446%0.45524%0.237SC..Hα-helixtrans-63-47174.960.70000112.6K197 K201 I202 D203K197-S199 PolarHBondContact O-N 3.43Å; K197-S199 VanDerWaalsContact O-N 3.13Å; S199-K201 PolarHBondContact O-N 3.21Å; S199-I202 VanDerWaalsContact O-CB 3.31Å; S199-I202 WeakPolarHBondContact O-CB 3.4Å; S199-I202 PolarHBondContact O-N 3.38Å; S199-I202 VanDerWaalsContact O-N 3.16Å; S199-D203 PolarHBondContact O-N 2.84Å
200L84.3Confident81.9Confident35 Ų3552.3 Ų52.318%0.18325%0.251CS..Hα-helixtrans-67.4-37.3179.9-66.2174000111.8L164 K197 I202 D203 I204L164-L200 HydrophobicContact CD2-CD2 4.17Å; K197-L200 PolarHBondContact O-N 2.86Å; L200-I202 PolarHBondContact O-N 3.43Å; L200-D203 PolarHBondContact O-N 3.2Å; L200-I204 WeakPolarHBondContact O-CG1 3.32Å; L200-I204 PolarHBondContact O-N 3.48Å; L200-I204 VanDerWaalsContact O-N 3.11Å
201K83.8Confident82.2Confident20 Ų2050.9 Ų50.99%0.08724%0.241CC..Hα-helixtrans-58.7-41.2173.3-66.5179.1174.8173.80111F193 D194 L196 K197 S199 L205 L238F193-K201 HydrophobicContact CD1-CG 4.28Å; F193-K201 HydrophobicContact CE1-CB 4.19Å; F193-K201 HydrophobicContact CE1-CD 4.44Å; F193-K201 HydrophobicContact CE1-CG 3.79Å; F193-K201 HydrophobicContact CZ-CG 4.42Å; F193-K201 WeakPolarHBondContact O-CE 3.44Å; D194-K201 WeakPolarHBondContact O-CE 3.35Å; D194-K201 PolarHBondContact O-NZ 3.26Å; D194-K201 IonicContact OD1-NZ 3.61Å; D194-K201 PolarHBondContact OD1-NZ 2.98Å; L196-K201 HydrophobicContact CB-CG 4.08Å; L196-K201 WeakPolarHBondContact O-CE 3.29Å; K197-K201 PolarHBondContact O-N 2.9Å; K197-K201 VanDerWaalsContact O-N 3.14Å; S199-K201 PolarHBondContact O-N 3.21Å; K201-L205 WeakPolarHBondContact O-CG 3.3Å; K201-L205 PolarHBondContact O-N 3.3Å; K201-L205 VanDerWaalsContact O-N 3.15Å; K201-L238 HydrophobicContact CB-CD2 4.47Å; K201-L238 HydrophobicContact CD-CD1 4.33Å
202I83.6Confident82.3Confident18 Ų1844.5 Ų44.59%0.09221%0.211CC..Hα-helixtrans-65.3-48.2176.1-79.2167.5000111.1H198 S199 L200 I204 L205 D206 T241H198-I202 WeakPolarHBondContact CE1-CD1 3.26Å; H198-I202 VanDerWaalsContact ND1-CD1 3.32Å; H198-I202 WeakPolarHBondContact ND1-CD1 3.41Å; H198-I202 WeakPolarHBondContact O-CG1 3.29Å; H198-I202 PolarHBondContact O-N 2.98Å; H198-I202 VanDerWaalsContact O-N 3.1Å; S199-I202 VanDerWaalsContact O-CB 3.31Å; S199-I202 WeakPolarHBondContact O-CB 3.4Å; S199-I202 PolarHBondContact O-N 3.38Å; S199-I202 VanDerWaalsContact O-N 3.16Å; L200-I202 PolarHBondContact O-N 3.43Å; I202-I204 VanDerWaalsContact C-N 3.28Å; I202-I204 PolarHBondContact O-N 2.85Å; I202-L205 CarbonylContact O-C 3.6Å; I202-L205 WeakPolarHBondContact O-CA 3.2Å; I202-L205 WeakPolarHBondContact O-CB 3.33Å; I202-L205 PolarHBondContact O-N 3.43Å; I202-D206 WeakPolarHBondContact CG2-OD2 3.44Å; I202-D206 PolarHBondContact O-N 2.85Å; I202-T241 HydrophobicContact CG1-CG2 4.31Å
203D85.1Confident82.3Confident58 Ų5846.9 Ų46.931%0.3123%0.228SC..Hα-helixtrans-60.9-40.8-175.8-58.6-29.6000110.8L164 S199 L200 D206 E207L164-D203 HydrophobicContact CD1-CB 3.97Å; L164-D203 HydrophobicContact CD2-CB 4.19Å; S199-D203 PolarHBondContact O-N 2.84Å; L200-D203 PolarHBondContact O-N 3.2Å; D203-D206 PolarHBondContact O-N 2.91Å; D203-E207 PolarHBondContact O-N 3.31Å; D203-E207 VanDerWaalsContact O-N 3.16Å
204I83.2Confident82.5Confident4 Ų451.1 Ų51.12%0.02125%0.25CC..Hα-helixtrans-64.8-40.2174.7-65169.8000111.5L164 F167 F182 F193 L196 L200 I202 L208L164-I204 HydrophobicContact CD1-CG1 4.25Å; F167-I204 HydrophobicContact CE1-CG2 4.06Å; F167-I204 HydrophobicContact CZ-CG2 4.44Å; F182-I204 HydrophobicContact CE1-CG2 3.95Å; F182-I204 HydrophobicContact CE2-CD1 4.5Å; F182-I204 HydrophobicContact CE2-CG2 4.12Å; F182-I204 HydrophobicContact CZ-CG2 3.54Å; F193-I204 HydrophobicContact CE2-CD1 3.66Å; F193-I204 HydrophobicContact CE2-CG2 4.36Å; F193-I204 HydrophobicContact CZ-CB 4.43Å; F193-I204 HydrophobicContact CZ-CD1 3.97Å; F193-I204 HydrophobicContact CZ-CG2 4.25Å; L196-I204 HydrophobicContact CD1-CD1 4.49Å; L200-I204 WeakPolarHBondContact O-CG1 3.32Å; L200-I204 PolarHBondContact O-N 3.48Å; L200-I204 VanDerWaalsContact O-N 3.11Å; I202-I204 VanDerWaalsContact C-N 3.28Å; I202-I204 PolarHBondContact O-N 2.85Å; I204-L208 HydrophobicContact CG2-CD1 4.43Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 3.3Å; I204-L208 VanDerWaalsContact O-N 3.09Å
205L83Confident82.1Confident1 Ų147.7 Ų47.71%0.00523%0.231CC..Hα-helixtrans-65.2-42.8175-77.8178.1000111.8K201 I202 E207 L208 I209 L228 L231 L238 I242 Y246K201-L205 WeakPolarHBondContact O-CG 3.3Å; K201-L205 PolarHBondContact O-N 3.3Å; K201-L205 VanDerWaalsContact O-N 3.15Å; I202-L205 CarbonylContact O-C 3.6Å; I202-L205 WeakPolarHBondContact O-CA 3.2Å; I202-L205 WeakPolarHBondContact O-CB 3.33Å; I202-L205 PolarHBondContact O-N 3.43Å; L205-E207 PolarHBondContact O-N 2.81Å; L205-L208 PolarHBondContact O-N 2.89Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.41Å; L205-I209 PolarHBondContact O-N 3.28Å; L205-L228 HydrophobicContact CD2-CD2 3.96Å; L205-L231 HydrophobicContact CD2-CD2 3.91Å; L205-L238 HydrophobicContact CD1-CD2 3.26Å; L205-L238 HydrophobicContact CG-CD2 4.09Å; L205-I242 HydrophobicContact CD1-CD1 4.48Å; L205-I242 HydrophobicContact CD1-CG1 3.93Å; L205-I242 HydrophobicContact CD2-CD1 3.99Å; L205-I242 HydrophobicContact CD2-CG1 4.31Å; L205-Y246 HydrophobicContact CB-CE2 4.28Å; L205-Y246 VanDerWaalsContact CB-OH 3.25Å; L205-Y246 WeakPolarHBondContact CB-OH 3.42Å; L205-Y246 HydrophobicContact CD1-CE2 4.5Å
206D86.7Confident81.5Confident46 Ų4646.2 Ų46.225%0.24624%0.235CC..Hα-helixtrans-59.3-41.7-178.7-77.3-33000108.9I202 D203 I209 Y210 R245 Y246I202-D206 WeakPolarHBondContact CG2-OD2 3.44Å; I202-D206 PolarHBondContact O-N 2.85Å; D203-D206 PolarHBondContact O-N 2.91Å; D206-I209 PolarHBondContact O-N 3.46Å; D206-Y210 VanDerWaalsContact O-CB 3.22Å; D206-Y210 WeakPolarHBondContact O-CB 3.47Å; D206-Y210 PolarHBondContact O-N 3.2Å; D206-R245 IonicContact OD1-CZ 3.5Å; D206-R245 IonicContact OD1-NE 3.48Å; D206-R245 PolarHBondContact OD1-NE 2.92Å; D206-R245 IonicContact OD1-NH2 2.69Å; D206-R245 IonicContact OD2-CZ 3.31Å; D206-R245 IonicContact OD2-NE 2.78Å; D206-R245 IonicContact OD2-NH2 3.58Å; D206-R245 PolarHBondContact OD2-NH2 3.49Å; D206-Y246 VanDerWaalsContact CA-OH 3.28Å; D206-Y246 WeakPolarHBondContact CA-OH 3.35Å; D206-Y246 PolarHBondContact N-OH 2.86Å; D206-Y246 VanDerWaalsContact OD1-CE1 3.22Å; D206-Y246 WeakPolarHBondContact OD1-CE1 3.4Å; D206-Y246 PolarHBondContact OD1-OH 3.23Å
207E84.8Confident81.1Confident31 Ų3148.1 Ų48.115%0.14525%0.245CC..Hα-helixtrans-65.4-43.2174.6-71.6-54.6132.500113.6F167 I168 D203 L205 I209 Y210 H211F167-E207 HydrophobicContact CD1-CB 3.72Å; F167-E207 HydrophobicContact CD1-CG 4.06Å; F167-E207 HydrophobicContact CE1-CB 3.66Å; F167-E207 HydrophobicContact CE1-CG 4.49Å; I168-E207 HydrophobicContact CB-CG 4.45Å; I168-E207 HydrophobicContact CG1-CG 3.65Å; D203-E207 PolarHBondContact O-N 3.31Å; D203-E207 VanDerWaalsContact O-N 3.16Å; L205-E207 PolarHBondContact O-N 2.81Å; E207-I209 VanDerWaalsContact C-N 3.34Å; E207-I209 PolarHBondContact O-N 3.31Å; E207-Y210 PolarHBondContact O-N 2.69Å; E207-H211 PolarHBondContact O-CD2 2.94Å; E207-H211 VanDerWaalsContact O-CD2 3.22Å; E207-H211 PolarHBondContact O-N 3.4Å
208L83.3Confident80.4Confident0 Ų042.5 Ų42.50%023%0.225CC..Hα-helixtrans-63-40.8175.9-72.3175.1000111.8F167 I179 F182 I204 L205 L212 I224 L228F167-L208 HydrophobicContact CE1-CD2 4.45Å; F167-L208 HydrophobicContact CE1-CG 4.36Å; F167-L208 HydrophobicContact CZ-CD2 3.92Å; F167-L208 HydrophobicContact CZ-CG 4.24Å; I179-L208 HydrophobicContact CG1-CD2 4.34Å; F182-L208 HydrophobicContact CE1-CD1 4.13Å; I204-L208 HydrophobicContact CG2-CD1 4.43Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 3.3Å; I204-L208 VanDerWaalsContact O-N 3.09Å; L205-L208 PolarHBondContact O-N 2.89Å; L208-L212 WeakPolarHBondContact O-CB 3.42Å; L208-L212 PolarHBondContact O-N 2.99Å; L208-I224 HydrophobicContact CD2-CG2 4.44Å; L208-I224 WeakPolarHBondContact O-CG2 3.35Å; L208-L228 HydrophobicContact CB-CD2 4.1Å; L208-L228 HydrophobicContact CD1-CD2 3.88Å; L208-L228 HydrophobicContact CD1-CG 4.39Å
209I82.5Confident80Confident22 Ų2241.9 Ų41.911%0.11322%0.223CC..Hα-helixtrans-71.2-38177.7-62.8-50.7000111.1L205 D206 E207 L212 S213 L228 Y246 I249L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.41Å; L205-I209 PolarHBondContact O-N 3.28Å; D206-I209 PolarHBondContact O-N 3.46Å; E207-I209 VanDerWaalsContact C-N 3.34Å; E207-I209 PolarHBondContact O-N 3.31Å; I209-L212 PolarHBondContact O-N 3.06Å; I209-S213 WeakPolarHBondContact O-CB 3.46Å; I209-S213 PolarHBondContact O-N 3.41Å; I209-L228 HydrophobicContact CD1-CD1 4.03Å; I209-L228 HydrophobicContact CD1-CD2 4.37Å; I209-Y246 HydrophobicContact CB-CD1 4.25Å; I209-Y246 HydrophobicContact CB-CE1 4.04Å; I209-Y246 HydrophobicContact CG1-CD1 4.13Å; I209-Y246 HydrophobicContact CG1-CD2 4.07Å; I209-Y246 HydrophobicContact CG1-CE1 3.94Å; I209-Y246 HydrophobicContact CG1-CE2 3.88Å; I209-Y246 HydrophobicContact CG1-CG 4.19Å; I209-Y246 HydrophobicContact CG2-CD1 3.84Å; I209-Y246 HydrophobicContact CG2-CE1 4.11Å; I209-Y246 HydrophobicContact CG2-CG 4.33Å; I209-I249 HydrophobicContact CD1-CD1 3.44Å; I209-I249 VanDerWaalsContact CD1-CD1 3.44Å; I209-I249 HydrophobicContact CD1-CG1 4.44Å; I209-I249 HydrophobicContact CG1-CD1 4.36Å
210Y84.9Confident79.5Confident92 Ų9238.8 Ų38.836%0.36120%0.201SC..Hα-helixtrans-58-51.3172.9174.2-104.3000110.9D170 D206 E207 L212 S213 I214D170-Y210 PolarHBondContact OD1-OH 2.84Å; D206-Y210 VanDerWaalsContact O-CB 3.22Å; D206-Y210 WeakPolarHBondContact O-CB 3.47Å; D206-Y210 PolarHBondContact O-N 3.2Å; E207-Y210 PolarHBondContact O-N 2.69Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 2.91Å; Y210-S213 PolarHBondContact O-N 2.75Å; Y210-S213 PolarHBondContact O-OG 3.07Å; Y210-I214 HydrophobicContact CD1-CD1 4.38Å; Y210-I214 HydrophobicContact CD2-CD1 3.7Å; Y210-I214 HydrophobicContact CE1-CD1 3.87Å; Y210-I214 HydrophobicContact CE2-CD1 3.1Å; Y210-I214 HydrophobicContact CE2-CG1 4.33Å; Y210-I214 HydrophobicContact CG-CD1 4.31Å; Y210-I214 PolarHBondContact O-N 2.92Å; Y210-I214 VanDerWaalsContact O-N 3.14Å; Y210-I214 WeakPolarHBondContact OH-CD1 3.33Å
211H76.9Confident79.1Confident5 Ų537.2 Ų37.22%0.02319%0.193CC..Hα-helixtrans-63-35.4175.3-69.5-45.7000112.7T169 E207 S213 M215 I224T169-H211 PolarHBondContact O-CE1 3.24Å; T169-H211 VanDerWaalsContact O-CE1 3.23Å; E207-H211 PolarHBondContact O-CD2 2.94Å; E207-H211 VanDerWaalsContact O-CD2 3.22Å; E207-H211 PolarHBondContact O-N 3.4Å; H211-S213 PolarHBondContact O-N 2.88Å; H211-M215 HydrophobicContact CB-CG 4.45Å; H211-M215 HydrophobicContact CB-SD 3.97Å; H211-M215 WeakPolarHBondContact O-CB 3.07Å; H211-M215 WeakPolarHBondContact O-CG 3.19Å; H211-M215 PolarHBondContact O-N 3.24Å; H211-I224 HydrophobicContact CB-CD1 3.62Å; H211-I224 HydrophobicContact CB-CG1 4.44Å
212L78.5Confident78.7Confident0 Ų037.1 Ų37.10%019%0.193CC..Hα-helixtrans-66.2-28.3174.9-165.665.7000112.6L208 I209 Y210 I221 I224 I225 L228 L252 L253 W256L208-L212 WeakPolarHBondContact O-CB 3.42Å; L208-L212 PolarHBondContact O-N 2.99Å; I209-L212 PolarHBondContact O-N 3.06Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 2.91Å; L212-I221 HydrophobicContact CD1-CG2 4.04Å; L212-I224 HydrophobicContact CB-CG2 4.03Å; L212-I224 HydrophobicContact CD1-CB 4.37Å; L212-I224 HydrophobicContact CD1-CG2 3.95Å; L212-I224 HydrophobicContact CG-CG2 4.46Å; L212-I225 HydrophobicContact CD1-CG1 4.05Å; L212-L228 HydrophobicContact CD2-CD1 4.15Å; L212-L252 HydrophobicContact CB-CD2 4.07Å; L212-L252 HydrophobicContact CD2-CD2 3.36Å; L212-L252 HydrophobicContact CG-CD2 3.39Å; L212-L253 HydrophobicContact CD2-CD2 4.39Å; L212-W256 PolarHBondContact O-NE1 3.06Å
213S78.4Confident78.4Confident57 Ų5738.3 Ų38.340%0.39920%0.197SC..Hα-helixtrans-82.9-38.2-176.674.30000113.9I209 Y210 H211I209-S213 WeakPolarHBondContact O-CB 3.46Å; I209-S213 PolarHBondContact O-N 3.41Å; Y210-S213 PolarHBondContact O-N 2.75Å; Y210-S213 PolarHBondContact O-OG 3.07Å; H211-S213 PolarHBondContact O-N 2.88Å
214I78.9Confident78.2Confident92 Ų9235.5 Ų35.547%0.47218%0.182SC..Hα-helixtrans-89.7-32-173.9-69.3176.4000112.1Y210Y210-I214 HydrophobicContact CD1-CD1 4.38Å; Y210-I214 HydrophobicContact CD2-CD1 3.7Å; Y210-I214 HydrophobicContact CE1-CD1 3.87Å; Y210-I214 HydrophobicContact CE2-CD1 3.1Å; Y210-I214 HydrophobicContact CE2-CG1 4.33Å; Y210-I214 HydrophobicContact CG-CD1 4.31Å; Y210-I214 PolarHBondContact O-N 2.92Å; Y210-I214 VanDerWaalsContact O-N 3.14Å; Y210-I214 WeakPolarHBondContact OH-CD1 3.33Å
215M70.5Confident78Confident20 Ų2035.4 Ų35.410%0.09918%0.182CC..  trans-91.4124.3-158.7-54.6-159.983.300112.3K172 H211 M220 W256K172-M215 HydrophobicContact CB-CE 3.65Å; K172-M215 HydrophobicContact CD-CE 4.13Å; K172-M215 HydrophobicContact CG-CE 3.54Å; H211-M215 HydrophobicContact CB-CG 4.45Å; H211-M215 HydrophobicContact CB-SD 3.97Å; H211-M215 WeakPolarHBondContact O-CB 3.07Å; H211-M215 WeakPolarHBondContact O-CG 3.19Å; H211-M215 PolarHBondContact O-N 3.24Å; M215-M220 HydrophobicContact CB-SD 3.86Å; M215-M220 HydrophobicContact CE-CE 3.3Å; M215-M220 HydrophobicContact CE-SD 3.14Å; M215-M220 WeakPolarHBondContact CE-SD 3.47Å; M215-M220 HydrophobicContact CG-SD 4.08Å; M215-M220 HydrophobicContact SD-CE 3.33Å; M215-M220 WeakPolarHBondContact SD-CE 3.17Å; M215-M220 HydrophobicContact SD-CG 4.3Å; M215-M220 HydrophobicContact SD-SD 3.14Å; M215-W256 WeakPolarHBondContact O-CH2 3.14Å; M215-W256 VanDerWaalsContact O-CZ2 3.28Å; M215-W256 WeakPolarHBondContact O-CZ2 3.39Å
216N69.2Low77.8Confident131 Ų13138.8 Ų38.870%0.70120%0.197SC*.  trans-91.12.8-178.3-66.6-26.6000114.1
217N74.1Confident77.4Confident48 Ų4836.6 Ų36.626%0.25719%0.185SC..  trans-89.3117.4-174.2-173.58.4000112.5K172 E219 M220 I221K172-N217 WeakPolarHBondContact CE-ND2 3.2Å; N217-E219 VanDerWaalsContact C-N 3.32Å; N217-E219 PolarHBondContact O-N 3.08Å; N217-E219 PolarHBondContact OD1-N 3.22Å; N217-M220 HydrophobicContact CB-CB 4.05Å; N217-M220 WeakPolarHBondContact O-CB 3.39Å; N217-M220 PolarHBondContact O-N 3.04Å; N217-I221 VanDerWaalsContact C-CD1 3.49Å; N217-I221 WeakPolarHBondContact O-CD1 3.21Å; N217-I221 WeakPolarHBondContact O-CG1 3.39Å; N217-I221 PolarHBondContact O-N 3.47Å; N217-I221 VanDerWaalsContact O-N 3.08Å
218S71.9Confident77.1Confident36 Ų3635.3 Ų35.325%0.25218%0.179SC..Hα-helixtrans-48-47.4-178.9-164.40000113.9M220 Q222 F260S218-M220 VanDerWaalsContact C-N 3.31Å; S218-M220 PolarHBondContact O-N 3.08Å; S218-Q222 PolarHBondContact O-N 3.43Å; S218-Q222 VanDerWaalsContact O-N 3.08Å; S218-F260 VanDerWaalsContact OG-CE1 3.27Å; S218-F260 WeakPolarHBondContact OG-CE1 3.39Å
219E71.8Confident76.8Confident98 Ų9835.5 Ų35.546%0.45818%0.18SC..Hα-helixtrans-65.8-36.9-177.4-178.5171.6-16100112.3N217 Q222 K223N217-E219 VanDerWaalsContact C-N 3.32Å; N217-E219 PolarHBondContact O-N 3.08Å; N217-E219 PolarHBondContact OD1-N 3.22Å; E219-Q222 WeakPolarHBondContact O-CB 3.38Å; E219-Q222 PolarHBondContact O-N 3.14Å; E219-K223 VanDerWaalsContact O-CG 3.26Å; E219-K223 WeakPolarHBondContact O-CG 3.49Å; E219-K223 PolarHBondContact O-N 3.21Å; E219-K223 VanDerWaalsContact O-N 3.07Å
220M74Confident76.5Confident1 Ų135.9 Ų35.91%0.00518%0.183CC..Hα-helixtrans-74-42.6-177.4-170.4175.6-138.300111.9K172 S175 L176 M215 N217 S218 Q222 K223 I224K172-M220 HydrophobicContact CG-CE 3.91Å; K172-M220 HydrophobicContact CG-SD 4.12Å; K172-M220 WeakPolarHBondContact O-CE 3.22Å; S175-M220 WeakPolarHBondContact OG-CE 3.48Å; L176-M220 HydrophobicContact CB-CE 4.12Å; L176-M220 HydrophobicContact CD1-CB 4.14Å; L176-M220 HydrophobicContact CD1-CG 4.11Å; M215-M220 HydrophobicContact CB-SD 3.86Å; M215-M220 HydrophobicContact CE-CE 3.3Å; M215-M220 HydrophobicContact CE-SD 3.14Å; M215-M220 WeakPolarHBondContact CE-SD 3.47Å; M215-M220 HydrophobicContact CG-SD 4.08Å; M215-M220 HydrophobicContact SD-CE 3.33Å; M215-M220 WeakPolarHBondContact SD-CE 3.17Å; M215-M220 HydrophobicContact SD-CG 4.3Å; M215-M220 HydrophobicContact SD-SD 3.14Å; N217-M220 HydrophobicContact CB-CB 4.05Å; N217-M220 WeakPolarHBondContact O-CB 3.39Å; N217-M220 PolarHBondContact O-N 3.04Å; S218-M220 VanDerWaalsContact C-N 3.31Å; S218-M220 PolarHBondContact O-N 3.08Å; M220-Q222 VanDerWaalsContact C-N 3.27Å; M220-Q222 PolarHBondContact O-N 3.02Å; M220-K223 PolarHBondContact O-N 3.14Å; M220-K223 VanDerWaalsContact O-N 3.09Å; M220-I224 HydrophobicContact CG-CD1 4.02Å; M220-I224 VanDerWaalsContact O-CG1 3.28Å; M220-I224 WeakPolarHBondContact O-CG1 3.37Å; M220-I224 PolarHBondContact O-N 3.43Å
221I77.1Confident76Confident1 Ų131.5 Ų31.51%0.00517%0.166CC..Hα-helixtrans-59.2-43.4173.5-62.9145.5000109.7L212 N217 K223 I224 I225 W256 F260L212-I221 HydrophobicContact CD1-CG2 4.04Å; N217-I221 VanDerWaalsContact C-CD1 3.49Å; N217-I221 WeakPolarHBondContact O-CD1 3.21Å; N217-I221 WeakPolarHBondContact O-CG1 3.39Å; N217-I221 PolarHBondContact O-N 3.47Å; N217-I221 VanDerWaalsContact O-N 3.08Å; I221-K223 VanDerWaalsContact C-N 3.31Å; I221-K223 PolarHBondContact O-N 2.93Å; I221-I224 PolarHBondContact O-N 3.44Å; I221-I225 HydrophobicContact CG2-CD1 3.41Å; I221-I225 VanDerWaalsContact CG2-CD1 3.41Å; I221-I225 HydrophobicContact CG2-CG1 4.16Å; I221-I225 WeakPolarHBondContact O-CB 3.28Å; I221-I225 WeakPolarHBondContact O-CD1 3.45Å; I221-I225 WeakPolarHBondContact O-CG1 3.18Å; I221-I225 PolarHBondContact O-N 2.94Å; I221-W256 HydrophobicContact CD1-CD2 4.14Å; I221-W256 HydrophobicContact CD1-CE3 3.55Å; I221-W256 HydrophobicContact CD1-CH2 3.1Å; I221-W256 HydrophobicContact CD1-CZ2 3.68Å; I221-W256 HydrophobicContact CD1-CZ3 3Å; I221-W256 HydrophobicContact CG1-CD2 4.38Å; I221-W256 HydrophobicContact CG1-CE3 4.26Å; I221-W256 HydrophobicContact CG1-CH2 3.81Å; I221-W256 HydrophobicContact CG1-CZ2 3.84Å; I221-W256 HydrophobicContact CG1-CZ3 4Å; I221-W256 HydrophobicContact CG2-CD2 3.88Å; I221-W256 HydrophobicContact CG2-CE3 4.07Å; I221-W256 HydrophobicContact CG2-CG 4.16Å; I221-F260 HydrophobicContact CG2-CE2 4.02Å; I221-F260 HydrophobicContact CG2-CZ 4.34Å
222Q73.6Confident75.7Confident19 Ų1931.5 Ų31.59%0.08917%0.166CC..Hα-helixtrans-56.7-45174.1-176.3178.928.700111.6S218 E219 M220 K226 C287S218-Q222 PolarHBondContact O-N 3.43Å; S218-Q222 VanDerWaalsContact O-N 3.08Å; E219-Q222 WeakPolarHBondContact O-CB 3.38Å; E219-Q222 PolarHBondContact O-N 3.14Å; M220-Q222 VanDerWaalsContact C-N 3.27Å; M220-Q222 PolarHBondContact O-N 3.02Å; Q222-K226 HydrophobicContact CG-CD 4.21Å; Q222-K226 WeakPolarHBondContact O-CB 3.35Å; Q222-K226 WeakPolarHBondContact O-CG 3.36Å; Q222-K226 PolarHBondContact O-N 2.99Å; Q222-C287 VanDerWaalsContact CB-SG 3.54Å; Q222-C287 VanDerWaalsContact CD-SG 3.53Å; Q222-C287 WeakPolarHBondContact CG-SG 3.47Å
223K78.2Confident75.4Confident42 Ų4236.1 Ų36.118%0.18319%0.19CC..Hα-helixtrans-66.9-42.3178.5-64.6-83-177.6166.80111.7L176 I179 E180 I183 E219 M220 I221 K226 S227L176-K223 HydrophobicContact CD1-CG 4.24Å; I179-K223 HydrophobicContact CG2-CB 4.1Å; E180-K223 IonicContact OE1-NZ 3.01Å; E180-K223 PolarHBondContact OE1-NZ 3.22Å; I183-K223 HydrophobicContact CD1-CB 4.25Å; I183-K223 HydrophobicContact CD1-CD 4.23Å; I183-K223 WeakPolarHBondContact CD1-O 3.23Å; E219-K223 VanDerWaalsContact O-CG 3.26Å; E219-K223 WeakPolarHBondContact O-CG 3.49Å; E219-K223 PolarHBondContact O-N 3.21Å; E219-K223 VanDerWaalsContact O-N 3.07Å; M220-K223 PolarHBondContact O-N 3.14Å; M220-K223 VanDerWaalsContact O-N 3.09Å; I221-K223 VanDerWaalsContact C-N 3.31Å; I221-K223 PolarHBondContact O-N 2.93Å; K223-K226 PolarHBondContact O-N 3.37Å; K223-S227 WeakPolarHBondContact O-CB 3.44Å; K223-S227 PolarHBondContact O-N 3.4Å
224I79.9Confident75Confident0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-63.1-46.9177.1-65.2160.2000110.7I179 L208 H211 L212 M220 I221 K226 S227 L228I179-I224 HydrophobicContact CD1-CD1 4.28Å; I179-I224 HydrophobicContact CD1-CG1 3.76Å; I179-I224 HydrophobicContact CG2-CG1 4.42Å; L208-I224 HydrophobicContact CD2-CG2 4.44Å; L208-I224 WeakPolarHBondContact O-CG2 3.35Å; H211-I224 HydrophobicContact CB-CD1 3.62Å; H211-I224 HydrophobicContact CB-CG1 4.44Å; L212-I224 HydrophobicContact CB-CG2 4.03Å; L212-I224 HydrophobicContact CD1-CB 4.37Å; L212-I224 HydrophobicContact CD1-CG2 3.95Å; L212-I224 HydrophobicContact CG-CG2 4.46Å; M220-I224 HydrophobicContact CG-CD1 4.02Å; M220-I224 VanDerWaalsContact O-CG1 3.28Å; M220-I224 WeakPolarHBondContact O-CG1 3.37Å; M220-I224 PolarHBondContact O-N 3.43Å; I221-I224 PolarHBondContact O-N 3.44Å; I224-K226 PolarHBondContact O-N 2.97Å; I224-S227 WeakPolarHBondContact O-CB 3.37Å; I224-S227 PolarHBondContact O-N 2.93Å; I224-S227 VanDerWaalsContact O-N 3.17Å; I224-L228 HydrophobicContact CG2-CD1 4.06Å; I224-L228 HydrophobicContact CG2-CG 4.47Å; I224-L228 WeakPolarHBondContact O-CG 3.35Å; I224-L228 PolarHBondContact O-N 3.33Å
225I79.5Confident74.7Confident1 Ų135 Ų351%0.00518%0.175CC..Hα-helixtrans-62.3-45.2177.2-65.2162.9000109.8L212 I221 S227 L228 V229 L290 L291 L294L212-I225 HydrophobicContact CD1-CG1 4.05Å; I221-I225 HydrophobicContact CG2-CD1 3.41Å; I221-I225 VanDerWaalsContact CG2-CD1 3.41Å; I221-I225 HydrophobicContact CG2-CG1 4.16Å; I221-I225 WeakPolarHBondContact O-CB 3.28Å; I221-I225 WeakPolarHBondContact O-CD1 3.45Å; I221-I225 WeakPolarHBondContact O-CG1 3.18Å; I221-I225 PolarHBondContact O-N 2.94Å; I225-S227 VanDerWaalsContact C-N 3.29Å; I225-S227 PolarHBondContact O-N 2.83Å; I225-L228 PolarHBondContact O-N 3.49Å; I225-V229 HydrophobicContact CG2-CG2 4.13Å; I225-V229 WeakPolarHBondContact O-CB 3.42Å; I225-V229 VanDerWaalsContact O-CG2 3.3Å; I225-V229 WeakPolarHBondContact O-CG2 3.24Å; I225-V229 PolarHBondContact O-N 3.27Å; I225-L290 HydrophobicContact CG2-CB 3.72Å; I225-L291 HydrophobicContact CD1-CD1 4.18Å; I225-L291 HydrophobicContact CD1-CD2 3.53Å; I225-L291 HydrophobicContact CD1-CG 3.8Å; I225-L291 HydrophobicContact CG1-CD2 4.14Å; I225-L291 HydrophobicContact CG2-CD2 4.36Å; I225-L291 HydrophobicContact CG2-CG 4.44Å; I225-L294 HydrophobicContact CG2-CD1 4.46Å
226K78.6Confident74.5Confident73 Ų7338.6 Ų38.632%0.31720%0.2SC..Hα-helixtrans-55.3-45.7173.5-77.7176.9-179.9178.10111.5I183 Q222 K223 I224 V229 V230 L290I183-K226 HydrophobicContact CD1-CB 4.33Å; Q222-K226 HydrophobicContact CG-CD 4.21Å; Q222-K226 WeakPolarHBondContact O-CB 3.35Å; Q222-K226 WeakPolarHBondContact O-CG 3.36Å; Q222-K226 PolarHBondContact O-N 2.99Å; K223-K226 PolarHBondContact O-N 3.37Å; I224-K226 PolarHBondContact O-N 2.97Å; K226-V229 PolarHBondContact O-N 2.9Å; K226-V230 WeakPolarHBondContact O-CB 3.4Å; K226-V230 WeakPolarHBondContact O-CG2 3.3Å; K226-V230 PolarHBondContact O-N 3.42Å; K226-L290 HydrophobicContact CD-CD1 4.13Å; K226-L290 HydrophobicContact CG-CD1 3.32Å; K226-L290 HydrophobicContact CG-CD2 4.38Å; K226-L290 HydrophobicContact CG-CG 4.49Å
227S79Confident74.6Confident0 Ų034.6 Ų34.60%019%0.19CC..Hα-helixtrans-61-45.8177.4-176.40000112.1F182 K223 I224 I225 V230 L231F182-S227 WeakPolarHBondContact CD1-OG 3.39Å; F182-S227 WeakPolarHBondContact CE1-OG 3.47Å; K223-S227 WeakPolarHBondContact O-CB 3.44Å; K223-S227 PolarHBondContact O-N 3.4Å; I224-S227 WeakPolarHBondContact O-CB 3.37Å; I224-S227 PolarHBondContact O-N 2.93Å; I224-S227 VanDerWaalsContact O-N 3.17Å; I225-S227 VanDerWaalsContact C-N 3.29Å; I225-S227 PolarHBondContact O-N 2.83Å; S227-V230 PolarHBondContact O-N 3.25Å; S227-L231 WeakPolarHBondContact O-CB 3.18Å; S227-L231 PolarHBondContact O-N 2.96Å
228L78.7Confident74.5Confident3 Ų332.6 Ų32.62%0.01618%0.179CC..Hα-helixtrans-65.8-42.8178.2-72.2170.6000112.4L205 L208 I209 L212 I224 I225 L231 L232 L294L205-L228 HydrophobicContact CD2-CD2 3.96Å; L208-L228 HydrophobicContact CB-CD2 4.1Å; L208-L228 HydrophobicContact CD1-CD2 3.88Å; L208-L228 HydrophobicContact CD1-CG 4.39Å; I209-L228 HydrophobicContact CD1-CD1 4.03Å; I209-L228 HydrophobicContact CD1-CD2 4.37Å; L212-L228 HydrophobicContact CD2-CD1 4.15Å; I224-L228 HydrophobicContact CG2-CD1 4.06Å; I224-L228 HydrophobicContact CG2-CG 4.47Å; I224-L228 WeakPolarHBondContact O-CG 3.35Å; I224-L228 PolarHBondContact O-N 3.33Å; I225-L228 PolarHBondContact O-N 3.49Å; L228-L231 PolarHBondContact O-N 3.01Å; L228-L232 WeakPolarHBondContact O-CB 3.38Å; L228-L232 VanDerWaalsContact O-CG 3.3Å; L228-L232 WeakPolarHBondContact O-CG 2.95Å; L228-L232 PolarHBondContact O-N 3.45Å; L228-L294 HydrophobicContact CB-CD1 3.63Å; L228-L294 HydrophobicContact CD1-CD1 4.47Å
229V76.9Confident74.4Confident4 Ų431.5 Ų31.52%0.02417%0.172CC..Hα-helixtrans-60.8-51.1176169.80000110.1I225 K226 L231 L232 I233 L290 L294I225-V229 HydrophobicContact CG2-CG2 4.13Å; I225-V229 WeakPolarHBondContact O-CB 3.42Å; I225-V229 VanDerWaalsContact O-CG2 3.3Å; I225-V229 WeakPolarHBondContact O-CG2 3.24Å; I225-V229 PolarHBondContact O-N 3.27Å; K226-V229 PolarHBondContact O-N 2.9Å; V229-L231 VanDerWaalsContact C-N 3.29Å; V229-L231 PolarHBondContact O-N 3.43Å; V229-L232 PolarHBondContact O-N 3.16Å; V229-I233 HydrophobicContact CG1-CD1 3.49Å; V229-I233 VanDerWaalsContact CG1-CD1 3.49Å; V229-I233 HydrophobicContact CG1-CG1 4.2Å; V229-I233 WeakPolarHBondContact O-CB 3.21Å; V229-I233 VanDerWaalsContact O-CG1 3.24Å; V229-I233 WeakPolarHBondContact O-CG1 3.41Å; V229-I233 PolarHBondContact O-N 3.36Å; V229-L290 HydrophobicContact CB-CD2 4.25Å; V229-L290 HydrophobicContact CG1-CD2 4.05Å; V229-L290 HydrophobicContact CG2-CB 4.29Å; V229-L290 HydrophobicContact CG2-CD2 4.12Å; V229-L290 WeakPolarHBondContact CG2-O 3.32Å; V229-L294 HydrophobicContact CG2-CB 3.88Å; V229-L294 HydrophobicContact CG2-CD1 3.78Å; V229-L294 HydrophobicContact CG2-CG 4.3Å
230V75.5Confident74.4Confident30 Ų3033 Ų3318%0.18218%0.177CC..Hα-helixtrans-58.8-43.7178.2171.70000110.5I186 N187 K226 S227 K234I186-V230 HydrophobicContact CB-CG1 4.14Å; I186-V230 HydrophobicContact CG2-CG1 3.56Å; N187-V230 VanDerWaalsContact OD1-CG1 3.28Å; N187-V230 WeakPolarHBondContact OD1-CG1 3.37Å; K226-V230 WeakPolarHBondContact O-CB 3.4Å; K226-V230 WeakPolarHBondContact O-CG2 3.3Å; K226-V230 PolarHBondContact O-N 3.42Å; S227-V230 PolarHBondContact O-N 3.25Å; V230-K234 HydrophobicContact CG1-CG 4.46Å; V230-K234 WeakPolarHBondContact O-CB 3.31Å; V230-K234 WeakPolarHBondContact O-CG 3.17Å; V230-K234 PolarHBondContact O-N 3.18Å
231L74.3Confident74.5Confident1 Ų134.3 Ų34.31%0.00519%0.185CC..Hα-helixtrans-66.1-38.5179.7-173.2145.6000112.5F182 I186 F193 L205 S227 L228 V229 I235 L238F182-L231 HydrophobicContact CE1-CD1 4.26Å; F182-L231 HydrophobicContact CZ-CD1 4.17Å; I186-L231 HydrophobicContact CD1-CB 4.33Å; I186-L231 HydrophobicContact CD1-CD1 4.25Å; F193-L231 HydrophobicContact CD1-CD1 4.45Å; F193-L231 HydrophobicContact CE1-CD1 3.75Å; F193-L231 HydrophobicContact CE1-CG 4.28Å; F193-L231 HydrophobicContact CE2-CD1 4.19Å; F193-L231 HydrophobicContact CZ-CD1 3.61Å; L205-L231 HydrophobicContact CD2-CD2 3.91Å; S227-L231 WeakPolarHBondContact O-CB 3.18Å; S227-L231 PolarHBondContact O-N 2.96Å; L228-L231 PolarHBondContact O-N 3.01Å; V229-L231 VanDerWaalsContact C-N 3.29Å; V229-L231 PolarHBondContact O-N 3.43Å; L231-I235 PolarHBondContact O-N 2.89Å; L231-L238 HydrophobicContact CD2-CB 4.35Å; L231-L238 HydrophobicContact CD2-CD1 3.86Å; L231-L238 HydrophobicContact CD2-CD2 4.31Å; L231-L238 HydrophobicContact CD2-CG 4.41Å
232L70.9Confident74.4Confident4 Ų434.4 Ų34.42%0.02119%0.185CC..Hα-helixtrans-74-39.4178.1-76.2168.7000113.3L228 V229 K234 I235 L238 I242 L294 L297L228-L232 WeakPolarHBondContact O-CB 3.38Å; L228-L232 VanDerWaalsContact O-CG 3.3Å; L228-L232 WeakPolarHBondContact O-CG 2.95Å; L228-L232 PolarHBondContact O-N 3.45Å; V229-L232 PolarHBondContact O-N 3.16Å; L232-K234 VanDerWaalsContact C-N 3.3Å; L232-K234 PolarHBondContact O-N 3.09Å; L232-I235 CarbonylContact O-C 3.56Å; L232-I235 VanDerWaalsContact O-C 3.31Å; L232-I235 PolarHBondContact O-N 2.87Å; L232-L238 HydrophobicContact CD2-CB 4.43Å; L232-I242 HydrophobicContact CD1-CD1 4.06Å; L232-I242 HydrophobicContact CD2-CD1 3.73Å; L232-I242 HydrophobicContact CG-CD1 4.11Å; L232-L294 HydrophobicContact CD1-CD1 4.2Å; L232-L294 HydrophobicContact CD1-CG 3.99Å; L232-L297 HydrophobicContact CB-CD1 4.26Å
233I73Confident74.3Confident98 Ų9835.1 Ų35.150%0.50319%0.19SC..Hα-helixtrans-61.6-43.4174.1-70.5171.2000109.8V229 L297V229-I233 HydrophobicContact CG1-CD1 3.49Å; V229-I233 VanDerWaalsContact CG1-CD1 3.49Å; V229-I233 HydrophobicContact CG1-CG1 4.2Å; V229-I233 WeakPolarHBondContact O-CB 3.21Å; V229-I233 VanDerWaalsContact O-CG1 3.24Å; V229-I233 WeakPolarHBondContact O-CG1 3.41Å; V229-I233 PolarHBondContact O-N 3.36Å; I233-L297 HydrophobicContact CG1-CD1 3.87Å
234K70.4Confident74.2Confident105 Ų10541.3 Ų41.346%0.45722%0.217SC..Hα-helixtrans-74.7-28.5-177.9-66-62.2-172.2-1770112.9I186 P190 V230 L232I186-K234 HydrophobicContact CG2-CG 4.49Å; P190-K234 HydrophobicContact CB-CB 3.92Å; P190-K234 HydrophobicContact CB-CD 3.68Å; P190-K234 HydrophobicContact CB-CG 3.78Å; P190-K234 HydrophobicContact CG-CD 3.93Å; V230-K234 HydrophobicContact CG1-CG 4.46Å; V230-K234 WeakPolarHBondContact O-CB 3.31Å; V230-K234 WeakPolarHBondContact O-CG 3.17Å; V230-K234 PolarHBondContact O-N 3.18Å; L232-K234 VanDerWaalsContact C-N 3.3Å; L232-K234 PolarHBondContact O-N 3.09Å
235I71.1Confident74.1Confident19 Ų1947.1 Ų47.110%0.09724%0.239CC..  trans-134.989.6-179.4-50.3171.1000110.6F193 D194 L231 L232 G237 L238F193-I235 HydrophobicContact CB-CD1 4.25Å; F193-I235 HydrophobicContact CD1-CD1 3.52Å; F193-I235 HydrophobicContact CE1-CD1 4.38Å; F193-I235 HydrophobicContact CG-CD1 4.32Å; D194-I235 HydrophobicContact CB-CD1 4.31Å; L231-I235 PolarHBondContact O-N 2.89Å; L232-I235 CarbonylContact O-C 3.56Å; L232-I235 VanDerWaalsContact O-C 3.31Å; L232-I235 PolarHBondContact O-N 2.87Å; I235-G237 PolarHBondContact O-N 3.2Å; I235-G237 VanDerWaalsContact O-N 3.15Å; I235-L238 HydrophobicContact CB-CB 4.47Å; I235-L238 HydrophobicContact CB-CD1 3.72Å; I235-L238 HydrophobicContact CD1-CD1 3.67Å; I235-L238 HydrophobicContact CG1-CD1 4.29Å; I235-L238 HydrophobicContact CG2-CB 4.35Å; I235-L238 HydrophobicContact CG2-CD1 3.69Å; I235-L238 HydrophobicContact CG2-CG 4.26Å; I235-L238 WeakPolarHBondContact O-CB 2.78Å; I235-L238 PolarHBondContact O-N 3.17Å; I235-L238 VanDerWaalsContact O-N 3.09Å
236P67.8Low74.1Confident96 Ų9648.3 Ų48.362%0.62324%0.244SC*.THydrogen-bonded Turntrans-64.9-22.1-179.224.7-33.5000112.7L238 S239P236-L238 PolarHBondContact O-N 3.49Å; P236-S239 PolarHBondContact O-N 3.35Å; P236-S239 PolarHBondContact O-OG 3.36Å
237G69.8Low73.9Confident47 Ų4756.2 Ų56.249%0.48527%0.272SS..Hα-helixtrans-63.8-25.6174.900000114.1I235I235-G237 PolarHBondContact O-N 3.2Å; I235-G237 VanDerWaalsContact O-N 3.15Å
238L72.2Confident73.5Confident7 Ų758 Ų584%0.03729%0.29CS..Hα-helixtrans-74-24.5179.8-96145.4000112.8F193 K201 L205 L231 L232 I235 P236 K240 T241 I242F193-L238 HydrophobicContact CE1-CD1 4.17Å; K201-L238 HydrophobicContact CB-CD2 4.47Å; K201-L238 HydrophobicContact CD-CD1 4.33Å; L205-L238 HydrophobicContact CD1-CD2 3.26Å; L205-L238 HydrophobicContact CG-CD2 4.09Å; L231-L238 HydrophobicContact CD2-CB 4.35Å; L231-L238 HydrophobicContact CD2-CD1 3.86Å; L231-L238 HydrophobicContact CD2-CD2 4.31Å; L231-L238 HydrophobicContact CD2-CG 4.41Å; L232-L238 HydrophobicContact CD2-CB 4.43Å; I235-L238 HydrophobicContact CB-CB 4.47Å; I235-L238 HydrophobicContact CB-CD1 3.72Å; I235-L238 HydrophobicContact CD1-CD1 3.67Å; I235-L238 HydrophobicContact CG1-CD1 4.29Å; I235-L238 HydrophobicContact CG2-CB 4.35Å; I235-L238 HydrophobicContact CG2-CD1 3.69Å; I235-L238 HydrophobicContact CG2-CG 4.26Å; I235-L238 WeakPolarHBondContact O-CB 2.78Å; I235-L238 PolarHBondContact O-N 3.17Å; I235-L238 VanDerWaalsContact O-N 3.09Å; P236-L238 PolarHBondContact O-N 3.49Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 2.82Å; L238-T241 WeakPolarHBondContact O-CB 3.26Å; L238-T241 PolarHBondContact O-N 3.33Å; L238-I242 WeakPolarHBondContact O-CG1 3.39Å; L238-I242 PolarHBondContact O-N 3.34Å
239S69.3Low73.4Confident13 Ų1358.4 Ų58.49%0.09129%0.292CS..Hα-helixtrans-58.8-43.4177.467.80000111.6P236 T241 I242 V243 S301P236-S239 PolarHBondContact O-N 3.35Å; P236-S239 PolarHBondContact O-OG 3.36Å; S239-T241 VanDerWaalsContact C-N 3.3Å; S239-T241 PolarHBondContact O-N 2.79Å; S239-I242 PolarHBondContact O-N 3.11Å; S239-V243 WeakPolarHBondContact O-CG2 3.39Å; S239-V243 PolarHBondContact O-N 3.04Å; S239-S301 WeakPolarHBondContact OG-CB 3.49Å
240K73.5Confident73Confident130 Ų13061.9 Ų61.957%0.56531%0.308SS*.Hα-helixtrans-61.1-37.6174.9-67.4-178.2-179.4176.70112L238 K244L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 2.82Å; K240-K244 WeakPolarHBondContact O-CB 3.24Å; K240-K244 VanDerWaalsContact O-CG 3.3Å; K240-K244 WeakPolarHBondContact O-CG 3.34Å; K240-K244 PolarHBondContact O-N 3.15Å; K240-K244 VanDerWaalsContact O-N 3.13Å
241T75.1Confident73Confident28 Ų2866.9 Ų66.917%0.17233%0.333CS..Hα-helixtrans-69.2-42.3177.6-57.80000111.2I202 L238 S239 K244 R245I202-T241 HydrophobicContact CG1-CG2 4.31Å; L238-T241 WeakPolarHBondContact O-CB 3.26Å; L238-T241 PolarHBondContact O-N 3.33Å; S239-T241 VanDerWaalsContact C-N 3.3Å; S239-T241 PolarHBondContact O-N 2.79Å; T241-K244 PolarHBondContact O-N 2.86Å; T241-R245 VanDerWaalsContact O-CB 3.3Å; T241-R245 WeakPolarHBondContact O-CB 3.47Å; T241-R245 PolarHBondContact O-N 3.35Å
242I75.2Confident73Confident2 Ų268.9 Ų68.91%0.0134%0.344CS..Hα-helixtrans-60-49.8176.7-69.4-174.2000110.6L205 L232 L238 S239 K244 R245 Y246 I249 I298L205-I242 HydrophobicContact CD1-CD1 4.48Å; L205-I242 HydrophobicContact CD1-CG1 3.93Å; L205-I242 HydrophobicContact CD2-CD1 3.99Å; L205-I242 HydrophobicContact CD2-CG1 4.31Å; L232-I242 HydrophobicContact CD1-CD1 4.06Å; L232-I242 HydrophobicContact CD2-CD1 3.73Å; L232-I242 HydrophobicContact CG-CD1 4.11Å; L238-I242 WeakPolarHBondContact O-CG1 3.39Å; L238-I242 PolarHBondContact O-N 3.34Å; S239-I242 PolarHBondContact O-N 3.11Å; I242-K244 PolarHBondContact O-N 3.29Å; I242-R245 PolarHBondContact O-N 2.95Å; I242-Y246 HydrophobicContact CB-CD2 4.25Å; I242-Y246 HydrophobicContact CG1-CD2 4.42Å; I242-Y246 HydrophobicContact CG1-CE2 4.34Å; I242-Y246 HydrophobicContact CG2-CD2 3.98Å; I242-Y246 WeakPolarHBondContact O-CD2 3.43Å; I242-Y246 PolarHBondContact O-N 3.36Å; I242-I249 HydrophobicContact CG2-CD1 3.55Å; I242-I249 HydrophobicContact CG2-CG2 4.3Å; I242-I298 HydrophobicContact CG2-CD1 4.44Å
243V70.9Confident73Confident34 Ų3468.8 Ų68.821%0.20634%0.343CS..Hα-helixtrans-61.1-42.6-179.81690000112.3S239 I298 Q302S239-V243 WeakPolarHBondContact O-CG2 3.39Å; S239-V243 PolarHBondContact O-N 3.04Å; V243-I298 HydrophobicContact CG2-CG2 3.68Å; V243-Q302 HydrophobicContact CG1-CG 3.99Å; V243-Q302 HydrophobicContact CG2-CG 4.38Å
244K77.2Confident72.9Confident172 Ų17269.1 Ų69.175%0.74834%0.344SS*.Hα-helixtrans-70.9-36.1-178.8-75.3-179.5178.7-175.90112.9K240 T241 I242K240-K244 WeakPolarHBondContact O-CB 3.24Å; K240-K244 VanDerWaalsContact O-CG 3.3Å; K240-K244 WeakPolarHBondContact O-CG 3.34Å; K240-K244 PolarHBondContact O-N 3.15Å; K240-K244 VanDerWaalsContact O-N 3.13Å; T241-K244 PolarHBondContact O-N 2.86Å; I242-K244 PolarHBondContact O-N 3.29Å
245R77.8Confident73.3Confident122 Ų12269.7 Ų69.746%0.4635%0.346SS..Hα-helixtrans-90-46.6-172.8-168177.6177.5112.2-6.2112.8D206 T241 I242 R247D206-R245 IonicContact OD1-CZ 3.5Å; D206-R245 IonicContact OD1-NE 3.48Å; D206-R245 PolarHBondContact OD1-NE 2.92Å; D206-R245 IonicContact OD1-NH2 2.69Å; D206-R245 IonicContact OD2-CZ 3.31Å; D206-R245 IonicContact OD2-NE 2.78Å; D206-R245 IonicContact OD2-NH2 3.58Å; D206-R245 PolarHBondContact OD2-NH2 3.49Å; T241-R245 VanDerWaalsContact O-CB 3.3Å; T241-R245 WeakPolarHBondContact O-CB 3.47Å; T241-R245 PolarHBondContact O-N 3.35Å; I242-R245 PolarHBondContact O-N 2.95Å; R245-R247 PolarHBondContact O-N 3.16Å
246Y78.8Confident73.3Confident27 Ų2769 Ų6911%0.10634%0.342CS..  trans-98.479.3-174.1-51.3-72.1000111.3L205 D206 I209 I242 G248 I249L205-Y246 HydrophobicContact CB-CE2 4.28Å; L205-Y246 VanDerWaalsContact CB-OH 3.25Å; L205-Y246 WeakPolarHBondContact CB-OH 3.42Å; L205-Y246 HydrophobicContact CD1-CE2 4.5Å; D206-Y246 VanDerWaalsContact CA-OH 3.28Å; D206-Y246 WeakPolarHBondContact CA-OH 3.35Å; D206-Y246 PolarHBondContact N-OH 2.86Å; D206-Y246 VanDerWaalsContact OD1-CE1 3.22Å; D206-Y246 WeakPolarHBondContact OD1-CE1 3.4Å; D206-Y246 PolarHBondContact OD1-OH 3.23Å; I209-Y246 HydrophobicContact CB-CD1 4.25Å; I209-Y246 HydrophobicContact CB-CE1 4.04Å; I209-Y246 HydrophobicContact CG1-CD1 4.13Å; I209-Y246 HydrophobicContact CG1-CD2 4.07Å; I209-Y246 HydrophobicContact CG1-CE1 3.94Å; I209-Y246 HydrophobicContact CG1-CE2 3.88Å; I209-Y246 HydrophobicContact CG1-CG 4.19Å; I209-Y246 HydrophobicContact CG2-CD1 3.84Å; I209-Y246 HydrophobicContact CG2-CE1 4.11Å; I209-Y246 HydrophobicContact CG2-CG 4.33Å; I242-Y246 HydrophobicContact CB-CD2 4.25Å; I242-Y246 HydrophobicContact CG1-CD2 4.42Å; I242-Y246 HydrophobicContact CG1-CE2 4.34Å; I242-Y246 HydrophobicContact CG2-CD2 3.98Å; I242-Y246 WeakPolarHBondContact O-CD2 3.43Å; I242-Y246 PolarHBondContact O-N 3.36Å; Y246-G248 PolarHBondContact O-N 3.1Å; Y246-I249 PolarHBondContact O-N 3.46Å
247R74.6Confident73.5Confident238 Ų23866.2 Ų66.290%0.89832%0.322SS*.THydrogen-bonded Turntrans-60.6127.4171.9-68.3-172.3178.7-173.7-0.6109.8R245R245-R247 PolarHBondContact O-N 3.16Å
248G70.9Confident73.6Confident37 Ų3768 Ų6838%0.38132%0.321SS..THydrogen-bonded Turntrans89.54.5-179.800000115Y246 Q250 L251 L252Y246-G248 PolarHBondContact O-N 3.1Å; G248-Q250 PolarHBondContact O-N 3.41Å; G248-L251 WeakPolarHBondContact O-CB 3.49Å; G248-L251 PolarHBondContact O-N 3.03Å; G248-L252 PolarHBondContact O-N 3.49Å; G248-L252 VanDerWaalsContact O-N 3.16Å
249I75.2Confident73.5Confident12 Ų1270.7 Ų70.76%0.06233%0.333CS..Hα-helixtrans-57.9-35.5174.5-161.6168.7000112.2I209 I242 Y246 L251 L252 L253 I298I209-I249 HydrophobicContact CD1-CD1 3.44Å; I209-I249 VanDerWaalsContact CD1-CD1 3.44Å; I209-I249 HydrophobicContact CD1-CG1 4.44Å; I209-I249 HydrophobicContact CG1-CD1 4.36Å; I242-I249 HydrophobicContact CG2-CD1 3.55Å; I242-I249 HydrophobicContact CG2-CG2 4.3Å; Y246-I249 PolarHBondContact O-N 3.46Å; I249-L251 VanDerWaalsContact C-N 3.29Å; I249-L251 PolarHBondContact O-N 3.42Å; I249-L252 WeakPolarHBondContact O-CB 3.25Å; I249-L252 PolarHBondContact O-N 3.05Å; I249-L252 VanDerWaalsContact O-N 3.1Å; I249-L253 HydrophobicContact CG1-CD1 4.26Å; I249-L253 HydrophobicContact CG1-CG 4.42Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.33Å; I249-L253 PolarHBondContact O-N 3.13Å; I249-I298 HydrophobicContact CG2-CD1 4.31Å
250Q69.6Low73.4Confident77 Ų7770.3 Ų70.336%0.3633%0.33SS..Hα-helixtrans-58.9-39.6173.7-70.7170.5-35.200111.9G248 L252 L253 M254 I298 N299G248-Q250 PolarHBondContact O-N 3.41Å; Q250-L252 VanDerWaalsContact C-N 3.32Å; Q250-L252 PolarHBondContact O-N 3.14Å; Q250-L253 PolarHBondContact O-N 3.05Å; Q250-M254 VanDerWaalsContact O-CB 3.32Å; Q250-M254 WeakPolarHBondContact O-CB 3.28Å; Q250-M254 WeakPolarHBondContact O-CG 3.46Å; Q250-M254 PolarHBondContact O-N 3.09Å; Q250-I298 HydrophobicContact CG-CG2 4.32Å; Q250-N299 PolarHBondContact NE2-OD1 3.15Å
251L74.4Confident72.7Confident135 Ų13566 Ų6671%0.70732%0.315SS*.Hα-helixtrans-66.7-37.8176.4-60173.1000111.2G248 I249 K255G248-L251 WeakPolarHBondContact O-CB 3.49Å; G248-L251 PolarHBondContact O-N 3.03Å; I249-L251 VanDerWaalsContact C-N 3.29Å; I249-L251 PolarHBondContact O-N 3.42Å; L251-K255 WeakPolarHBondContact O-CB 3.45Å; L251-K255 PolarHBondContact O-N 2.75Å
252L74.8Confident71.9Confident44 Ų4468.9 Ų68.923%0.2333%0.329CS..Hα-helixtrans-68.7-41.6178.6-161.5116.1000111.8L212 G248 I249 Q250 K255 W256L212-L252 HydrophobicContact CB-CD2 4.07Å; L212-L252 HydrophobicContact CD2-CD2 3.36Å; L212-L252 HydrophobicContact CG-CD2 3.39Å; G248-L252 PolarHBondContact O-N 3.49Å; G248-L252 VanDerWaalsContact O-N 3.16Å; I249-L252 WeakPolarHBondContact O-CB 3.25Å; I249-L252 PolarHBondContact O-N 3.05Å; I249-L252 VanDerWaalsContact O-N 3.1Å; Q250-L252 VanDerWaalsContact C-N 3.32Å; Q250-L252 PolarHBondContact O-N 3.14Å; L252-K255 WeakPolarHBondContact O-CB 3.23Å; L252-K255 PolarHBondContact O-N 3.05Å; L252-W256 PolarHBondContact O-N 3.2Å
253L70.4Confident71Confident1 Ų173 Ų731%0.00535%0.347CS..Hα-helixtrans-66-42.1175-66.1165.9000111.5L212 I249 Q250 K255 W256 L257 L291 L294 I295 I298L212-L253 HydrophobicContact CD2-CD2 4.39Å; I249-L253 HydrophobicContact CG1-CD1 4.26Å; I249-L253 HydrophobicContact CG1-CG 4.42Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.33Å; I249-L253 PolarHBondContact O-N 3.13Å; Q250-L253 PolarHBondContact O-N 3.05Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 3.5Å; L253-W256 PolarHBondContact O-N 3.4Å; L253-L257 WeakPolarHBondContact O-CB 3.3Å; L253-L257 PolarHBondContact O-N 3.13Å; L253-L291 HydrophobicContact CB-CD2 4.43Å; L253-L291 HydrophobicContact CD2-CD2 3.71Å; L253-L294 HydrophobicContact CD1-CD2 3.19Å; L253-L294 HydrophobicContact CD2-CD2 3.64Å; L253-L294 HydrophobicContact CG-CD2 4.02Å; L253-I295 HydrophobicContact CB-CD1 4.39Å; L253-I295 HydrophobicContact CB-CG1 4.21Å; L253-I295 HydrophobicContact CD1-CG1 4.32Å; L253-I298 HydrophobicContact CD1-CD1 3.72Å
254M71.4Confident70.1Confident106 Ų10672.1 Ų72.152%0.52234%0.342SS..Hα-helixtrans-62.6-39.6174.1-74.2-65.6-70.800111.9Q250 L257 D258 I295Q250-M254 VanDerWaalsContact O-CB 3.32Å; Q250-M254 WeakPolarHBondContact O-CB 3.28Å; Q250-M254 WeakPolarHBondContact O-CG 3.46Å; Q250-M254 PolarHBondContact O-N 3.09Å; M254-L257 PolarHBondContact O-N 3.3Å; M254-D258 WeakPolarHBondContact O-CB 3.29Å; M254-D258 PolarHBondContact O-N 3.19Å; M254-I295 HydrophobicContact SD-CD1 4.16Å
255K78.4Confident68.9Low116 Ų11669.6 Ų69.650%0.50434%0.337SS..Hα-helixtrans-59.4-46.7173.5177.8-169.9171.8-169.50111.4L251 L252 L253 D258 Q259L251-K255 WeakPolarHBondContact O-CB 3.45Å; L251-K255 PolarHBondContact O-N 2.75Å; L252-K255 WeakPolarHBondContact O-CB 3.23Å; L252-K255 PolarHBondContact O-N 3.05Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 3.5Å; K255-D258 PolarHBondContact O-N 3.48Å; K255-Q259 PolarHBondContact O-N 2.84Å
256W71.7Confident67.6Low4 Ų466 Ų662%0.01534%0.337CS..Hα-helixtrans-67.5-39.9178.3-73.6117.9000111.6L212 M215 I221 L252 L253 D258 Q259 F260 L291L212-W256 PolarHBondContact O-NE1 3.06Å; M215-W256 WeakPolarHBondContact O-CH2 3.14Å; M215-W256 VanDerWaalsContact O-CZ2 3.28Å; M215-W256 WeakPolarHBondContact O-CZ2 3.39Å; I221-W256 HydrophobicContact CD1-CD2 4.14Å; I221-W256 HydrophobicContact CD1-CE3 3.55Å; I221-W256 HydrophobicContact CD1-CH2 3.1Å; I221-W256 HydrophobicContact CD1-CZ2 3.68Å; I221-W256 HydrophobicContact CD1-CZ3 3Å; I221-W256 HydrophobicContact CG1-CD2 4.38Å; I221-W256 HydrophobicContact CG1-CE3 4.26Å; I221-W256 HydrophobicContact CG1-CH2 3.81Å; I221-W256 HydrophobicContact CG1-CZ2 3.84Å; I221-W256 HydrophobicContact CG1-CZ3 4Å; I221-W256 HydrophobicContact CG2-CD2 3.88Å; I221-W256 HydrophobicContact CG2-CE3 4.07Å; I221-W256 HydrophobicContact CG2-CG 4.16Å; L252-W256 PolarHBondContact O-N 3.2Å; L253-W256 PolarHBondContact O-N 3.4Å; W256-D258 VanDerWaalsContact C-N 3.35Å; W256-D258 PolarHBondContact O-N 3.05Å; W256-Q259 PolarHBondContact O-N 3.41Å; W256-Q259 VanDerWaalsContact O-N 3.16Å; W256-F260 HydrophobicContact CE3-CE2 4.37Å; W256-F260 WeakPolarHBondContact O-CD2 3.5Å; W256-F260 PolarHBondContact O-N 2.78Å; W256-L291 HydrophobicContact CB-CD1 4.14Å; W256-L291 HydrophobicContact CB-CD2 4.35Å
257L71.9Confident66.2Low38 Ų3866.5 Ų66.520%0.19934%0.343CS..Hα-helixtrans-59-46.9176.1-172.7134.4000110.9L253 M254 Q259 F260 T261 L291 I295L253-L257 WeakPolarHBondContact O-CB 3.3Å; L253-L257 PolarHBondContact O-N 3.13Å; M254-L257 PolarHBondContact O-N 3.3Å; L257-Q259 VanDerWaalsContact C-N 3.33Å; L257-Q259 PolarHBondContact O-N 2.84Å; L257-F260 PolarHBondContact O-N 2.94Å; L257-T261 HydrophobicContact CD2-CG2 4.43Å; L257-T261 WeakPolarHBondContact O-CG2 3.46Å; L257-T261 PolarHBondContact O-N 3.28Å; L257-T261 PolarHBondContact O-OG1 3.24Å; L257-L291 HydrophobicContact CB-CD1 4.1Å; L257-L291 HydrophobicContact CD1-CB 4.01Å; L257-I295 HydrophobicContact CD1-CD1 4.08Å
258D71.9Confident65Low86 Ų8661.1 Ų61.146%0.4634%0.336SS..Hα-helixtrans-63-36175.3-174.757000113M254 K255 W256 T261 N262M254-D258 WeakPolarHBondContact O-CB 3.29Å; M254-D258 PolarHBondContact O-N 3.19Å; K255-D258 PolarHBondContact O-N 3.48Å; W256-D258 VanDerWaalsContact C-N 3.35Å; W256-D258 PolarHBondContact O-N 3.05Å; D258-T261 VanDerWaalsContact C-OG1 3.26Å; D258-T261 WeakPolarHBondContact CA-OG1 3.01Å; D258-T261 PolarHBondContact O-N 2.75Å; D258-T261 PolarHBondContact O-OG1 2.92Å; D258-N262 VanDerWaalsContact CG-ND2 3.3Å; D258-N262 WeakPolarHBondContact O-CB 3.15Å; D258-N262 PolarHBondContact O-N 2.8Å; D258-N262 PolarHBondContact O-ND2 2.87Å; D258-N262 PolarHBondContact OD1-ND2 2.98Å; D258-N262 VanDerWaalsContact OD1-ND2 3.07Å; D258-N262 PolarHBondContact OD2-ND2 3.38Å; D258-N262 VanDerWaalsContact OD2-ND2 3.15Å
259Q71.5Confident63.9Low63 Ų6364 Ų6429%0.29435%0.351SS..Hα-helixtrans-69.6-35.3177.3-167.7172.71.700112.7K255 W256 L257 K263K255-Q259 PolarHBondContact O-N 2.84Å; W256-Q259 PolarHBondContact O-N 3.41Å; W256-Q259 VanDerWaalsContact O-N 3.16Å; L257-Q259 VanDerWaalsContact C-N 3.33Å; L257-Q259 PolarHBondContact O-N 2.84Å; Q259-K263 WeakPolarHBondContact O-CG 3.4Å; Q259-K263 PolarHBondContact O-N 2.98Å
260F65.8Low62.7Low4 Ų467.5 Ų67.52%0.01837%0.373CS..Hα-helixtrans-78.3-23.5174.1-73.4-70.9000112.5S218 I221 W256 L257 N284 C287 R288 L291S218-F260 VanDerWaalsContact OG-CE1 3.27Å; S218-F260 WeakPolarHBondContact OG-CE1 3.39Å; I221-F260 HydrophobicContact CG2-CE2 4.02Å; I221-F260 HydrophobicContact CG2-CZ 4.34Å; W256-F260 HydrophobicContact CE3-CE2 4.37Å; W256-F260 WeakPolarHBondContact O-CD2 3.5Å; W256-F260 PolarHBondContact O-N 2.78Å; L257-F260 PolarHBondContact O-N 2.94Å; F260-N284 HydrophobicContact CD1-CB 4.43Å; F260-N284 WeakPolarHBondContact CD1-OD1 3.36Å; F260-C287 HydrophobicContact CD1-CB 4.02Å; F260-C287 HydrophobicContact CD2-CB 4.12Å; F260-C287 HydrophobicContact CE1-CB 4Å; F260-C287 HydrophobicContact CE2-CB 4.16Å; F260-C287 HydrophobicContact CG-CB 4.09Å; F260-C287 HydrophobicContact CZ-CB 4.1Å; F260-R288 HydrophobicContact CB-CG 4.19Å; F260-R288 PolarHBondContact O-NE 2.84Å; F260-R288 VanDerWaalsContact O-NE 3.17Å; F260-R288 PolarHBondContact O-NH2 2.86Å; F260-L291 HydrophobicContact CD2-CD1 3.88Å; F260-L291 HydrophobicContact CE2-CD1 4.43Å
261T59.8Low61.8Low41 Ų4172 Ų7225%0.25240%0.4SS..Hα-helixtrans-70.4-52.3170.154.30000111.5L257 D258 K263 S264 R288L257-T261 HydrophobicContact CD2-CG2 4.43Å; L257-T261 WeakPolarHBondContact O-CG2 3.46Å; L257-T261 PolarHBondContact O-N 3.28Å; L257-T261 PolarHBondContact O-OG1 3.24Å; D258-T261 VanDerWaalsContact C-OG1 3.26Å; D258-T261 WeakPolarHBondContact CA-OG1 3.01Å; D258-T261 PolarHBondContact O-N 2.75Å; D258-T261 PolarHBondContact O-OG1 2.92Å; T261-K263 VanDerWaalsContact C-N 3.34Å; T261-K263 PolarHBondContact O-N 3.49Å; T261-S264 PolarHBondContact O-N 3.12Å; T261-S264 PolarHBondContact O-OG 2.91Å; T261-R288 PolarHBondContact O-NH2 2.79Å
262N58.7Low60.7Low87 Ų8769.3 Ų69.347%0.46539%0.388SS..Hα-helixtrans-66.6-32.5-174.3-68.2-36.5000113.5D258 S264 N265 G266D258-N262 VanDerWaalsContact CG-ND2 3.3Å; D258-N262 WeakPolarHBondContact O-CB 3.15Å; D258-N262 PolarHBondContact O-N 2.8Å; D258-N262 PolarHBondContact O-ND2 2.87Å; D258-N262 PolarHBondContact OD1-ND2 2.98Å; D258-N262 VanDerWaalsContact OD1-ND2 3.07Å; D258-N262 PolarHBondContact OD2-ND2 3.38Å; D258-N262 VanDerWaalsContact OD2-ND2 3.15Å; N262-S264 VanDerWaalsContact C-N 3.32Å; N262-S264 PolarHBondContact O-N 3.41Å; N262-N265 PolarHBondContact O-N 3.44Å; N262-G266 PolarHBondContact O-N 3.45Å
263K55.8Low59.8Low89 Ų8970.7 Ų70.739%0.38740%0.402SS..Hα-helixtrans-65.9-26.6177-79-176.1-179.8-179.40114.1Q259 T261 N265 V267Q259-K263 WeakPolarHBondContact O-CG 3.4Å; Q259-K263 PolarHBondContact O-N 2.98Å; T261-K263 VanDerWaalsContact C-N 3.34Å; T261-K263 PolarHBondContact O-N 3.49Å; K263-N265 VanDerWaalsContact C-N 3.31Å; K263-V267 VanDerWaalsContact O-CG2 3.25Å; K263-V267 WeakPolarHBondContact O-CG2 3.38Å; K263-V267 PolarHBondContact O-N 3.26Å
264S51.7Low58.9Low16 Ų1678.5 Ų78.511%0.11244%0.44CS..Hα-helixtrans-69.3-34.1174.365.10000112.1T261 N262 R288T261-S264 PolarHBondContact O-N 3.12Å; T261-S264 PolarHBondContact O-OG 2.91Å; N262-S264 VanDerWaalsContact C-N 3.32Å; N262-S264 PolarHBondContact O-N 3.41Å; S264-R288 PolarHBondContact OG-NH2 3.33Å
265N51.1Low57.8Low119 Ų11981.2 Ų81.264%0.63645%0.451SS*.Hα-helixtrans-76.7-30.9-175.4-62.8-2.7000111.3N262 K263N262-N265 PolarHBondContact O-N 3.44Å; K263-N265 VanDerWaalsContact C-N 3.31Å
266G51.1Low56.5Low45 Ų4578.5 Ų78.546%0.46445%0.445SS..Hα-helixtrans-77.6-30.8178.100000115.2N262 V268 S269N262-G266 PolarHBondContact O-N 3.45Å; G266-V268 VanDerWaalsContact C-N 3.25Å; G266-V268 PolarHBondContact O-N 2.8Å; G266-S269 PolarHBondContact O-N 3.36Å
267V49.8Very low55.8Low38 Ų3879.9 Ų79.923%0.2345%0.454CS..Hα-helixtrans-70.5-20.7-175.5172.40000112.8K263 S269 T270 T277K263-V267 VanDerWaalsContact O-CG2 3.25Å; K263-V267 WeakPolarHBondContact O-CG2 3.38Å; K263-V267 PolarHBondContact O-N 3.26Å; V267-S269 PolarHBondContact O-N 3.36Å; V267-S269 VanDerWaalsContact O-N 3.08Å; V267-T270 PolarHBondContact O-N 3.13Å; V267-T277 HydrophobicContact CG1-CG2 3.67Å
268V49.1Very low55.1Low125 Ų12582.9 Ų82.976%0.75847%0.467SS*.THydrogen-bonded Turntrans-61.8-17.7175-177.50000112.3G266G266-V268 VanDerWaalsContact C-N 3.25Å; G266-V268 PolarHBondContact O-N 2.8Å
269S48.8Very low54.4Low99 Ų9982.1 Ų82.169%0.69247%0.465SS*.THydrogen-bonded Turntrans-102.42.9-175.1-59.60000116G266 V267G266-S269 PolarHBondContact O-N 3.36Å; V267-S269 PolarHBondContact O-N 3.36Å; V267-S269 VanDerWaalsContact O-N 3.08Å
270T48.4Very low53.7Low84 Ų8482.3 Ų82.352%0.51547%0.467SS..SBendtrans-123.7126.1-176.853.40000112.8V267 V272V267-T270 PolarHBondContact O-N 3.13Å; T270-V272 PolarHBondContact O-N 3.06Å
271N51.8Low53.4Low173 Ų17385.6 Ų85.693%0.92549%0.485SS*.  trans-63.239.9-170.6-51.9-8.7000116.2
272V49.9Very low53.5Low78 Ų7887.6 Ų87.647%0.47349%0.494SS..  trans-81.8143172.2-175.80000108.4T270 M274 T276 T277T270-V272 PolarHBondContact O-N 3.06Å; V272-M274 PolarHBondContact O-N 3.04Å; V272-T276 HydrophobicContact CG1-CG2 4.28Å; V272-T277 HydrophobicContact CB-CG2 4.21Å
273S55.8Low53.7Low73 Ų7389.3 Ų89.351%0.5150%0.498SS..  trans-50.113818054.80000112.4E275 T276 T277S273-E275 PolarHBondContact O-N 2.93Å; S273-T276 PolarHBondContact O-N 3.47Å; S273-T276 PolarHBondContact O-OG1 3.3Å; S273-T276 PolarHBondContact OG-OG1 3.12Å; S273-T277 PolarHBondContact O-N 2.85Å
274M51.5Low54.2Low165 Ų16585.5 Ų85.581%0.81348%0.481SS*.Hα-helixtrans-49.2-35.4-174.8-91.6-179.666.500114.1V272 T277 Q278V272-M274 PolarHBondContact O-N 3.04Å; M274-T277 VanDerWaalsContact CA-OG1 3.3Å; M274-T277 WeakPolarHBondContact CA-OG1 3.07Å; M274-T277 PolarHBondContact O-N 2.92Å; M274-T277 PolarHBondContact O-OG1 2.96Å; M274-Q278 WeakPolarHBondContact O-CB 3.44Å; M274-Q278 PolarHBondContact O-N 3.46Å
275E49.8Very low55.1Low162 Ų16288.6 Ų88.676%0.75749%0.494SS*.Hα-helixtrans-64.2-40.7178.8-63.7-178.8172.500112.2S273 T279S273-E275 PolarHBondContact O-N 2.93Å; E275-T279 WeakPolarHBondContact O-CG2 3.25Å; E275-T279 PolarHBondContact O-N 3.32Å; E275-T279 VanDerWaalsContact O-N 3.1Å; E275-T279 PolarHBondContact O-OG1 3.34Å
276T51.6Low55.9Low59 Ų5984.5 Ų84.536%0.36248%0.476SS..Hα-helixtrans-72.6-38.8179.5-24.40000110.8V272 S273 T279 I280V272-T276 HydrophobicContact CG1-CG2 4.28Å; S273-T276 PolarHBondContact O-N 3.47Å; S273-T276 PolarHBondContact O-OG1 3.3Å; S273-T276 PolarHBondContact OG-OG1 3.12Å; T276-T279 PolarHBondContact O-OG1 3.27Å; T276-I280 HydrophobicContact CG2-CD1 4.42Å; T276-I280 WeakPolarHBondContact O-CB 3.44Å; T276-I280 VanDerWaalsContact O-CD1 3.29Å; T276-I280 WeakPolarHBondContact O-CD1 3.45Å; T276-I280 WeakPolarHBondContact O-CG1 3.44Å; T276-I280 PolarHBondContact O-N 3.4Å; T276-I280 VanDerWaalsContact O-N 3.1Å
277T55.6Low56.5Low33 Ų3382.4 Ų82.420%0.20246%0.455CS..Hα-helixtrans-66-40.1176.249.90000111.9V267 V272 S273 M274 I280 L281V267-T277 HydrophobicContact CG1-CG2 3.67Å; V272-T277 HydrophobicContact CB-CG2 4.21Å; S273-T277 PolarHBondContact O-N 2.85Å; M274-T277 VanDerWaalsContact CA-OG1 3.3Å; M274-T277 WeakPolarHBondContact CA-OG1 3.07Å; M274-T277 PolarHBondContact O-N 2.92Å; M274-T277 PolarHBondContact O-OG1 2.96Å; T277-I280 PolarHBondContact O-N 3.04Å; T277-L281 WeakPolarHBondContact O-CB 3.49Å; T277-L281 PolarHBondContact O-N 3.49Å
278Q57.8Low57.4Low101 Ų10183.1 Ų83.147%0.47245%0.453SS..Hα-helixtrans-65.7-48178.6-171.162.339.300111.4M274 I280 L281 D282M274-Q278 WeakPolarHBondContact O-CB 3.44Å; M274-Q278 PolarHBondContact O-N 3.46Å; Q278-I280 VanDerWaalsContact C-N 3.27Å; Q278-I280 PolarHBondContact O-N 2.99Å; Q278-L281 WeakPolarHBondContact O-CB 3.47Å; Q278-L281 PolarHBondContact O-N 3.29Å; Q278-D282 PolarHBondContact NE2-OD1 3.1Å; Q278-D282 PolarHBondContact O-N 3.18Å
279T56Low58.6Low70 Ų7082 Ų8243%0.42944%0.44SS..Hα-helixtrans-62.9-31.9177.851.80000113.1E275 T276 K283E275-T279 WeakPolarHBondContact O-CG2 3.25Å; E275-T279 PolarHBondContact O-N 3.32Å; E275-T279 VanDerWaalsContact O-N 3.1Å; E275-T279 PolarHBondContact O-OG1 3.34Å; T276-T279 PolarHBondContact O-OG1 3.27Å; T279-K283 WeakPolarHBondContact O-CB 3.06Å; T279-K283 VanDerWaalsContact O-CG 3.25Å; T279-K283 WeakPolarHBondContact O-CG 3.14Å; T279-K283 PolarHBondContact O-N 3.03Å
280I58Low59.6Low67 Ų6778.5 Ų78.534%0.34441%0.413SS..Hα-helixtrans-69.3-43.5172-69.1164.5000110.8T276 T277 Q278 K283 N284T276-I280 HydrophobicContact CG2-CD1 4.42Å; T276-I280 WeakPolarHBondContact O-CB 3.44Å; T276-I280 VanDerWaalsContact O-CD1 3.29Å; T276-I280 WeakPolarHBondContact O-CD1 3.45Å; T276-I280 WeakPolarHBondContact O-CG1 3.44Å; T276-I280 PolarHBondContact O-N 3.4Å; T276-I280 VanDerWaalsContact O-N 3.1Å; T277-I280 PolarHBondContact O-N 3.04Å; Q278-I280 VanDerWaalsContact C-N 3.27Å; Q278-I280 PolarHBondContact O-N 2.99Å; I280-K283 PolarHBondContact O-N 3.1Å; I280-N284 WeakPolarHBondContact O-CB 3.26Å; I280-N284 PolarHBondContact O-N 3.49Å; I280-N284 PolarHBondContact O-ND2 3.11Å
281L59.7Low60.6Low74 Ų7474.5 Ų74.539%0.38739%0.389SS..Hα-helixtrans-61.2-47.3178.4-148.9103.5000111T277 Q278 K283 N284 E285T277-L281 WeakPolarHBondContact O-CB 3.49Å; T277-L281 PolarHBondContact O-N 3.49Å; Q278-L281 WeakPolarHBondContact O-CB 3.47Å; Q278-L281 PolarHBondContact O-N 3.29Å; L281-K283 PolarHBondContact O-N 3.39Å; L281-N284 PolarHBondContact O-N 3.45Å; L281-E285 PolarHBondContact O-N 3.3Å
282D60.8Low61.6Low83 Ų8369.3 Ų69.344%0.44436%0.364SS..Hα-helixtrans-61.7-42178.8-62.7-18.9000111.7Q278 E285 A286Q278-D282 PolarHBondContact NE2-OD1 3.1Å; Q278-D282 PolarHBondContact O-N 3.18Å; D282-E285 PolarHBondContact O-N 2.97Å; D282-A286 WeakPolarHBondContact O-CB 3.32Å; D282-A286 PolarHBondContact O-N 3.35Å
283K63.9Low62.6Low123 Ų12369.8 Ų69.854%0.53536%0.36SS..Hα-helixtrans-64.9-41.1176-77.7176.2-177.6179.40112T279 I280 L281 C287T279-K283 WeakPolarHBondContact O-CB 3.06Å; T279-K283 VanDerWaalsContact O-CG 3.25Å; T279-K283 WeakPolarHBondContact O-CG 3.14Å; T279-K283 PolarHBondContact O-N 3.03Å; I280-K283 PolarHBondContact O-N 3.1Å; L281-K283 PolarHBondContact O-N 3.39Å; K283-C287 PolarHBondContact O-N 3.07Å; K283-C287 VanDerWaalsContact O-N 3.14Å; K283-C287 PolarHBondContact O-SG 3.07Å
284N65.4Low63.2Low9 Ų966.4 Ų66.45%0.04834%0.337CS..Hα-helixtrans-66.5-41.2178.2-72.1-25.2000111.2F260 I280 L281 C287 R288F260-N284 HydrophobicContact CD1-CB 4.43Å; F260-N284 WeakPolarHBondContact CD1-OD1 3.36Å; I280-N284 WeakPolarHBondContact O-CB 3.26Å; I280-N284 PolarHBondContact O-N 3.49Å; I280-N284 PolarHBondContact O-ND2 3.11Å; L281-N284 PolarHBondContact O-N 3.45Å; N284-C287 WeakPolarHBondContact O-CB 3.16Å; N284-C287 PolarHBondContact O-N 2.91Å; N284-C287 VanDerWaalsContact O-N 3.16Å; N284-R288 WeakPolarHBondContact O-CG 3.3Å; N284-R288 PolarHBondContact O-N 2.94Å
285E71.1Confident64.2Low81 Ų8159.9 Ų59.938%0.37931%0.305SS..Hα-helixtrans-64-44.2177.2-173.554.3-150.400111.6L281 D282 C287 R288 Q289L281-E285 PolarHBondContact O-N 3.3Å; D282-E285 PolarHBondContact O-N 2.97Å; E285-C287 PolarHBondContact O-N 3.23Å; E285-R288 PolarHBondContact O-N 3.05Å; E285-R288 VanDerWaalsContact O-N 3.14Å; E285-R288 IonicContact OE2-NH1 3.24Å; E285-Q289 WeakPolarHBondContact O-CG 3.47Å; E285-Q289 PolarHBondContact O-N 3Å; E285-Q289 PolarHBondContact OE1-NE2 2.86Å
286A68.4Low65.2Low32 Ų3256.1 Ų56.126%0.26429%0.29SS..Hα-helixtrans-58.6-35.5172.700000112.6D282 L290D282-A286 WeakPolarHBondContact O-CB 3.32Å; D282-A286 PolarHBondContact O-N 3.35Å; A286-L290 WeakPolarHBondContact O-CD1 3.46Å; A286-L290 VanDerWaalsContact O-CG 3.23Å; A286-L290 WeakPolarHBondContact O-CG 3.44Å; A286-L290 PolarHBondContact O-N 3.22Å
287C64.3Low65.9Low2 Ų255.5 Ų55.51%0.01428%0.284CS..Hα-helixtrans-69.6-41.3175.6-64.80000112.3Q222 F260 K283 N284 E285 L290 L291Q222-C287 VanDerWaalsContact CB-SG 3.54Å; Q222-C287 VanDerWaalsContact CD-SG 3.53Å; Q222-C287 WeakPolarHBondContact CG-SG 3.47Å; F260-C287 HydrophobicContact CD1-CB 4.02Å; F260-C287 HydrophobicContact CD2-CB 4.12Å; F260-C287 HydrophobicContact CE1-CB 4Å; F260-C287 HydrophobicContact CE2-CB 4.16Å; F260-C287 HydrophobicContact CG-CB 4.09Å; F260-C287 HydrophobicContact CZ-CB 4.1Å; K283-C287 PolarHBondContact O-N 3.07Å; K283-C287 VanDerWaalsContact O-N 3.14Å; K283-C287 PolarHBondContact O-SG 3.07Å; N284-C287 WeakPolarHBondContact O-CB 3.16Å; N284-C287 PolarHBondContact O-N 2.91Å; N284-C287 VanDerWaalsContact O-N 3.16Å; E285-C287 PolarHBondContact O-N 3.23Å; C287-L290 PolarHBondContact O-N 2.84Å; C287-L291 WeakPolarHBondContact O-CB 3.35Å; C287-L291 WeakPolarHBondContact O-CG 3.31Å; C287-L291 PolarHBondContact O-N 3.09Å
288R67.8Low66.5Low52 Ų5254 Ų5420%0.19628%0.275CS..Hα-helixtrans-60.5-47.1176.6-70.6176.9-171.2171.93.9111.2F260 T261 S264 N284 E285 L290 L291 T292F260-R288 HydrophobicContact CB-CG 4.19Å; F260-R288 PolarHBondContact O-NE 2.84Å; F260-R288 VanDerWaalsContact O-NE 3.17Å; F260-R288 PolarHBondContact O-NH2 2.86Å; T261-R288 PolarHBondContact O-NH2 2.79Å; S264-R288 PolarHBondContact OG-NH2 3.33Å; N284-R288 WeakPolarHBondContact O-CG 3.3Å; N284-R288 PolarHBondContact O-N 2.94Å; E285-R288 PolarHBondContact O-N 3.05Å; E285-R288 VanDerWaalsContact O-N 3.14Å; E285-R288 IonicContact OE2-NH1 3.24Å; R288-L290 VanDerWaalsContact C-N 3.32Å; R288-L290 PolarHBondContact O-N 3.26Å; R288-L291 PolarHBondContact O-N 3.01Å; R288-L291 VanDerWaalsContact O-N 3.16Å; R288-T292 PolarHBondContact O-N 3.49Å; R288-T292 PolarHBondContact O-OG1 3.39Å
289Q73.2Confident67Low103 Ų10352.4 Ų52.448%0.48127%0.27SS..Hα-helixtrans-58-44.7177.7-69.6176.34.900111.8E285 T292 Q293E285-Q289 WeakPolarHBondContact O-CG 3.47Å; E285-Q289 PolarHBondContact O-N 3Å; E285-Q289 PolarHBondContact OE1-NE2 2.86Å; Q289-T292 PolarHBondContact O-N 3.47Å; Q289-Q293 WeakPolarHBondContact O-CB 3.2Å; Q289-Q293 WeakPolarHBondContact O-CG 3.39Å; Q289-Q293 PolarHBondContact O-N 3.18Å
290L70Confident67.4Low25 Ų2556 Ų5613%0.13128%0.281CS..Hα-helixtrans-66.1-37.2177.4-70.2166.2000112.9I225 K226 V229 A286 C287 R288 L294I225-L290 HydrophobicContact CG2-CB 3.72Å; K226-L290 HydrophobicContact CD-CD1 4.13Å; K226-L290 HydrophobicContact CG-CD1 3.32Å; K226-L290 HydrophobicContact CG-CD2 4.38Å; K226-L290 HydrophobicContact CG-CG 4.49Å; V229-L290 HydrophobicContact CB-CD2 4.25Å; V229-L290 HydrophobicContact CG1-CD2 4.05Å; V229-L290 HydrophobicContact CG2-CB 4.29Å; V229-L290 HydrophobicContact CG2-CD2 4.12Å; V229-L290 WeakPolarHBondContact CG2-O 3.32Å; A286-L290 WeakPolarHBondContact O-CD1 3.46Å; A286-L290 VanDerWaalsContact O-CG 3.23Å; A286-L290 WeakPolarHBondContact O-CG 3.44Å; A286-L290 PolarHBondContact O-N 3.22Å; C287-L290 PolarHBondContact O-N 2.84Å; R288-L290 VanDerWaalsContact C-N 3.32Å; R288-L290 PolarHBondContact O-N 3.26Å; L290-L294 VanDerWaalsContact O-CB 3.29Å; L290-L294 WeakPolarHBondContact O-CB 3.35Å; L290-L294 PolarHBondContact O-N 3.35Å
291L70.9Confident67.4Low0 Ų054.3 Ų54.30%028%0.276CS..Hα-helixtrans-67.8-44.9176.5-78.5166.5000111.7I225 L253 W256 L257 F260 C287 R288 L294 I295I225-L291 HydrophobicContact CD1-CD1 4.18Å; I225-L291 HydrophobicContact CD1-CD2 3.53Å; I225-L291 HydrophobicContact CD1-CG 3.8Å; I225-L291 HydrophobicContact CG1-CD2 4.14Å; I225-L291 HydrophobicContact CG2-CD2 4.36Å; I225-L291 HydrophobicContact CG2-CG 4.44Å; L253-L291 HydrophobicContact CB-CD2 4.43Å; L253-L291 HydrophobicContact CD2-CD2 3.71Å; W256-L291 HydrophobicContact CB-CD1 4.14Å; W256-L291 HydrophobicContact CB-CD2 4.35Å; L257-L291 HydrophobicContact CB-CD1 4.1Å; L257-L291 HydrophobicContact CD1-CB 4.01Å; F260-L291 HydrophobicContact CD2-CD1 3.88Å; F260-L291 HydrophobicContact CE2-CD1 4.43Å; C287-L291 WeakPolarHBondContact O-CB 3.35Å; C287-L291 WeakPolarHBondContact O-CG 3.31Å; C287-L291 PolarHBondContact O-N 3.09Å; R288-L291 PolarHBondContact O-N 3.01Å; R288-L291 VanDerWaalsContact O-N 3.16Å; L291-L294 PolarHBondContact O-N 2.94Å; L291-I295 WeakPolarHBondContact O-CB 3.39Å; L291-I295 VanDerWaalsContact O-CG1 3.26Å; L291-I295 WeakPolarHBondContact O-CG1 3.28Å; L291-I295 PolarHBondContact O-N 3.25Å
292T72.3Confident67Low64 Ų6455.1 Ų55.139%0.39328%0.278SS..Hα-helixtrans-61.1-48.4175.2-54.30000110.5R288 Q289 L294 I295 D296R288-T292 PolarHBondContact O-N 3.49Å; R288-T292 PolarHBondContact O-OG1 3.39Å; Q289-T292 PolarHBondContact O-N 3.47Å; T292-L294 VanDerWaalsContact C-N 3.28Å; T292-L294 PolarHBondContact O-N 3.2Å; T292-I295 PolarHBondContact O-N 3.13Å; T292-I295 VanDerWaalsContact O-N 3.14Å; T292-D296 VanDerWaalsContact O-CG 3.24Å; T292-D296 PolarHBondContact O-N 3.11Å
293Q71.4Confident66Low87 Ų8758.4 Ų58.441%0.40729%0.294SS..Hα-helixtrans-55.6-42.2174.6-75.9172.67.200112.5Q289 D296 L297Q289-Q293 WeakPolarHBondContact O-CB 3.2Å; Q289-Q293 WeakPolarHBondContact O-CG 3.39Å; Q289-Q293 PolarHBondContact O-N 3.18Å; Q293-D296 PolarHBondContact O-N 3.26Å; Q293-L297 WeakPolarHBondContact O-CB 3.02Å; Q293-L297 WeakPolarHBondContact O-CD1 3.33Å; Q293-L297 VanDerWaalsContact O-CG 3.22Å; Q293-L297 WeakPolarHBondContact O-CG 3.21Å; Q293-L297 PolarHBondContact O-N 3.38Å
294L68.3Low64.8Low3 Ų357.8 Ų57.82%0.01630%0.302CS..Hα-helixtrans-69.7-38.9179.5-165147.6000111.9I225 L228 V229 L232 L253 L290 L291 T292 I298I225-L294 HydrophobicContact CG2-CD1 4.46Å; L228-L294 HydrophobicContact CB-CD1 3.63Å; L228-L294 HydrophobicContact CD1-CD1 4.47Å; V229-L294 HydrophobicContact CG2-CB 3.88Å; V229-L294 HydrophobicContact CG2-CD1 3.78Å; V229-L294 HydrophobicContact CG2-CG 4.3Å; L232-L294 HydrophobicContact CD1-CD1 4.2Å; L232-L294 HydrophobicContact CD1-CG 3.99Å; L253-L294 HydrophobicContact CD1-CD2 3.19Å; L253-L294 HydrophobicContact CD2-CD2 3.64Å; L253-L294 HydrophobicContact CG-CD2 4.02Å; L290-L294 VanDerWaalsContact O-CB 3.29Å; L290-L294 WeakPolarHBondContact O-CB 3.35Å; L290-L294 PolarHBondContact O-N 3.35Å; L291-L294 PolarHBondContact O-N 2.94Å; T292-L294 VanDerWaalsContact C-N 3.28Å; T292-L294 PolarHBondContact O-N 3.2Å; L294-I298 HydrophobicContact CD2-CD1 3.44Å; L294-I298 VanDerWaalsContact CD2-CD1 3.44Å; L294-I298 HydrophobicContact CD2-CG1 4.25Å; L294-I298 HydrophobicContact CG-CD1 4.49Å; L294-I298 WeakPolarHBondContact O-CB 3.17Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.49Å; L294-I298 PolarHBondContact O-N 2.88Å
295I71.2Confident63.1Low27 Ų2763.8 Ų63.814%0.13834%0.339CS..Hα-helixtrans-63-43.9174.2-70.9165.8000110.3L253 M254 L257 L291 T292 I298 N299L253-I295 HydrophobicContact CB-CD1 4.39Å; L253-I295 HydrophobicContact CB-CG1 4.21Å; L253-I295 HydrophobicContact CD1-CG1 4.32Å; M254-I295 HydrophobicContact SD-CD1 4.16Å; L257-I295 HydrophobicContact CD1-CD1 4.08Å; L291-I295 WeakPolarHBondContact O-CB 3.39Å; L291-I295 VanDerWaalsContact O-CG1 3.26Å; L291-I295 WeakPolarHBondContact O-CG1 3.28Å; L291-I295 PolarHBondContact O-N 3.25Å; T292-I295 PolarHBondContact O-N 3.13Å; T292-I295 VanDerWaalsContact O-N 3.14Å; I295-I298 PolarHBondContact O-N 2.7Å; I295-N299 VanDerWaalsContact CG2-ND2 3.32Å; I295-N299 WeakPolarHBondContact CG2-ND2 3.32Å; I295-N299 WeakPolarHBondContact O-CB 3.27Å; I295-N299 PolarHBondContact O-N 3.41Å; I295-N299 PolarHBondContact O-ND2 3.18Å
296D72.3Confident61Low84 Ų8464.2 Ų64.245%0.44936%0.357SS..Hα-helixtrans-63.6-47.9178.4-66.5-22.3000111.2T292 Q293 I298 N299 E300T292-D296 VanDerWaalsContact O-CG 3.24Å; T292-D296 PolarHBondContact O-N 3.11Å; Q293-D296 PolarHBondContact O-N 3.26Å; D296-I298 PolarHBondContact O-N 2.78Å; D296-N299 PolarHBondContact O-N 2.69Å; D296-N299 VanDerWaalsContact O-N 3.1Å; D296-E300 PolarHBondContact O-N 3Å
297L66.1Low59Low45 Ų4572.4 Ų72.424%0.23639%0.386CS..Hα-helixtrans-58.8-34.5175-75167.6000112.9L232 I233 Q293L232-L297 HydrophobicContact CB-CD1 4.26Å; I233-L297 HydrophobicContact CG1-CD1 3.87Å; Q293-L297 WeakPolarHBondContact O-CB 3.02Å; Q293-L297 WeakPolarHBondContact O-CD1 3.33Å; Q293-L297 VanDerWaalsContact O-CG 3.22Å; Q293-L297 WeakPolarHBondContact O-CG 3.21Å; Q293-L297 PolarHBondContact O-N 3.38Å
298I67.6Low57.5Low1 Ų181.4 Ų81.41%0.00543%0.428CS..Hα-helixtrans-73.1-43.1175.4-75.6177.8000110.9I242 V243 I249 Q250 L253 L294 I295 D296 S301I242-I298 HydrophobicContact CG2-CD1 4.44Å; V243-I298 HydrophobicContact CG2-CG2 3.68Å; I249-I298 HydrophobicContact CG2-CD1 4.31Å; Q250-I298 HydrophobicContact CG-CG2 4.32Å; L253-I298 HydrophobicContact CD1-CD1 3.72Å; L294-I298 HydrophobicContact CD2-CD1 3.44Å; L294-I298 VanDerWaalsContact CD2-CD1 3.44Å; L294-I298 HydrophobicContact CD2-CG1 4.25Å; L294-I298 HydrophobicContact CG-CD1 4.49Å; L294-I298 WeakPolarHBondContact O-CB 3.17Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.49Å; L294-I298 PolarHBondContact O-N 2.88Å; I295-I298 PolarHBondContact O-N 2.7Å; D296-I298 PolarHBondContact O-N 2.78Å; I298-S301 WeakPolarHBondContact O-CB 3.26Å; I298-S301 PolarHBondContact O-N 2.87Å; I298-S301 PolarHBondContact O-OG 2.88Å
299N68.8Low55.6Low69 Ų6989 Ų8937%0.36946%0.463SS..Hα-helixtrans-71.1-35.9-176.5-71.2-20.9000112.5Q250 I295 D296 S301 Q302Q250-N299 PolarHBondContact NE2-OD1 3.15Å; I295-N299 VanDerWaalsContact CG2-ND2 3.32Å; I295-N299 WeakPolarHBondContact CG2-ND2 3.32Å; I295-N299 WeakPolarHBondContact O-CB 3.27Å; I295-N299 PolarHBondContact O-N 3.41Å; I295-N299 PolarHBondContact O-ND2 3.18Å; D296-N299 PolarHBondContact O-N 2.69Å; D296-N299 VanDerWaalsContact O-N 3.1Å; N299-S301 PolarHBondContact O-N 3.44Å; N299-S301 VanDerWaalsContact O-N 3.14Å; N299-Q302 PolarHBondContact O-N 3.28Å
300E63.3Low53.6Low144 Ų14493.1 Ų93.167%0.67348%0.479SS*.Hα-helixtrans-56.2-29.8172.2-78-173.1166.700112.2D296 Q302D296-E300 PolarHBondContact O-N 3Å; E300-Q302 VanDerWaalsContact C-N 3.31Å; E300-Q302 PolarHBondContact O-N 2.8Å
301S57.8Low52Low32 Ų3297.2 Ų97.222%0.22451%0.509CS..THydrogen-bonded Turntrans-78-12.1177.480.90000114.5S239 I298 N299S239-S301 WeakPolarHBondContact OG-CB 3.49Å; I298-S301 WeakPolarHBondContact O-CB 3.26Å; I298-S301 PolarHBondContact O-N 2.87Å; I298-S301 PolarHBondContact O-OG 2.88Å; N299-S301 PolarHBondContact O-N 3.44Å; N299-S301 VanDerWaalsContact O-N 3.14Å
302Q53Low50.1Low92 Ų92106.2 Ų106.243%0.4355%0.551SS.*THydrogen-bonded Turntrans-103.433.4-175.6-73.3-128.526.900113.5V243 N299 E300 P304V243-Q302 HydrophobicContact CG1-CG 3.99Å; V243-Q302 HydrophobicContact CG2-CG 4.38Å; N299-Q302 PolarHBondContact O-N 3.28Å; E300-Q302 VanDerWaalsContact C-N 3.31Å; E300-Q302 PolarHBondContact O-N 2.8Å; Q302-P304 WeakPolarHBondContact O-CD 3.43Å
303I39.5Very low48.1Very low152 Ų152111.5 Ų111.578%0.77957%0.574SS**  trans-92.290.1169.2-52.2170.2000109.9
304P37.3Very low46.4Very low109 Ų109115.5 Ų115.571%0.70860%0.596SS**  trans-97.2137.4159.333-28.6000111.3Q302Q302-P304 WeakPolarHBondContact O-CD 3.43Å
305T30.4Very low45.1Very low136 Ų136120 Ų12083%0.83462%0.623SS**  trans-56.2133.8179.246.40000115.1
306A26.4Very low43.7Very low90 Ų90124.6 Ų124.674%0.74465%0.648SS**  trans64.3100.8141.700000120.6
307K27.2Very low42Very low204 Ų204132.5 Ų132.589%0.88767%0.672SS**  39.2119.7120.2-61.9177.6-179.2178.10118.4
308E31.6Very low40.9Very low191 Ų191137.5 Ų137.589%0.89369%0.692SS**  trans-160.897136.3-110.6169-159.500111.2
309K29.5Very low39.9Very low212 Ų212142 Ų14292%0.92271%0.711SS**  trans-108.1114.8156.9-79.7-175.8176.9-178.10105.9
310K31.4Very low38.8Very low189 Ų189144.9 Ų144.982%0.82273%0.731SS**  trans-142.8124.2171.3-101.9-177.5-178.9175.80111.8
311S36.4Very low37.9Very low110 Ų110145.4 Ų145.477%0.76974%0.738SS**  trans87.767.5137.5-50.90000119
312E30Very low37.5Very low189 Ų189146.9 Ų146.988%0.88374%0.742SS**  trans-83.1102.5150.5-68.2170.8169.900108.6
313M31.6Very low37.5Very low176 Ų176147 Ų14787%0.86775%0.745SS**  trans-173.314.9164-104.9-83-6700116.8
314I35.2Very low38.1Very low170 Ų170148.5 Ų148.587%0.87275%0.746SS**SBendtrans-106.18.4-179.8-56.5176.5000113.1
315V40.6Very low38.9Very low97 Ų97147.8 Ų147.859%0.58874%0.736SS**  trans-85.9-14.3-1601750000116.5
316N42Very low40.3Very low124 Ų124143.5 Ų143.566%0.66371%0.708SS**SBendtrans-97.3-9.6-161.7-77.3-20.7000118.2K319N316-K319 PolarHBondContact OD1-NZ 2.84Å
317R37.2Very low42.5Very low251 Ų251144.5 Ų144.595%0.94770%0.701SS**SBendtrans-99.5-5.7-177.3-112.7176.6-174.7154.91116.8
318K42Very low44.8Very low149 Ų149139.4 Ų139.465%0.64869%0.687SS**SBendtrans-101.9-4.2175.1-70.8-172.8174.9176.40115.3T320 E322K318-T320 PolarHBondContact O-N 2.62Å; K318-E322 HydrophobicContact CB-CG 3.96Å; K318-E322 WeakPolarHBondContact CB-OE1 3.29Å; K318-E322 VanDerWaalsContact CB-OE2 3.29Å; K318-E322 WeakPolarHBondContact CB-OE2 3.34Å; K318-E322 VanDerWaalsContact CD-OE1 3.28Å; K318-E322 WeakPolarHBondContact CD-OE1 3.32Å; K318-E322 WeakPolarHBondContact O-CB 3.47Å; K318-E322 VanDerWaalsContact O-CG 3.26Å; K318-E322 WeakPolarHBondContact O-CG 3.33Å; K318-E322 PolarHBondContact O-N 3.03Å; K318-E322 VanDerWaalsContact O-N 3.14Å
319K45.9Very low47.1Very low96 Ų96137.8 Ų137.842%0.41767%0.672SS.*Hα-helixtrans-58.2-34-167.9-95.2174.9175166.10116.7N316 N323N316-K319 PolarHBondContact OD1-NZ 2.84Å; K319-N323 PolarHBondContact O-N 3.04Å; K319-N323 PolarHBondContact O-OD1 3.38Å
320T45.8Very low49.5Very low129 Ų129132.7 Ų132.779%0.79165%0.652SS**Hα-helixtrans-82-37.2-169.344.20000114.6K318K318-T320 PolarHBondContact O-N 2.62Å
321L44.8Very low51.9Low156 Ų156125.7 Ų125.782%0.81763%0.629SS**Hα-helixtrans-82.3-26.1170.3-97.8145.6000112
322E50.5Low54.1Low63 Ų63122.2 Ų122.229%0.29461%0.607SS.*Hα-helixtrans-70.5-32172.7-75.1-178.1163.500112.5K318 K324 N325 I326K318-E322 HydrophobicContact CB-CG 3.96Å; K318-E322 WeakPolarHBondContact CB-OE1 3.29Å; K318-E322 VanDerWaalsContact CB-OE2 3.29Å; K318-E322 WeakPolarHBondContact CB-OE2 3.34Å; K318-E322 VanDerWaalsContact CD-OE1 3.28Å; K318-E322 WeakPolarHBondContact CD-OE1 3.32Å; K318-E322 WeakPolarHBondContact O-CB 3.47Å; K318-E322 VanDerWaalsContact O-CG 3.26Å; K318-E322 WeakPolarHBondContact O-CG 3.33Å; K318-E322 PolarHBondContact O-N 3.03Å; K318-E322 VanDerWaalsContact O-N 3.14Å; E322-K324 PolarHBondContact O-N 3.32Å; E322-K324 VanDerWaalsContact O-N 3.13Å; E322-N325 CarbonylContact O-C 3.58Å; E322-N325 WeakPolarHBondContact O-CA 3.37Å; E322-N325 WeakPolarHBondContact O-CB 3.41Å; E322-N325 PolarHBondContact O-N 3.42Å; E322-I326 HydrophobicContact CB-CD1 3.51Å; E322-I326 HydrophobicContact CB-CG1 3.84Å; E322-I326 WeakPolarHBondContact O-CA 3.47Å; E322-I326 WeakPolarHBondContact O-CB 3.48Å; E322-I326 WeakPolarHBondContact O-CG1 3.45Å; E322-I326 PolarHBondContact O-N 3.18Å
323N52.1Low56.8Low94 Ų94118.1 Ų118.150%0.50359%0.59SS.*Hα-helixtrans-53.4-41.5-172.9-84.4-2.9000115.7K319 I326 D327K319-N323 PolarHBondContact O-N 3.04Å; K319-N323 PolarHBondContact O-OD1 3.38Å; N323-I326 PolarHBondContact O-N 3.41Å; N323-D327 PolarHBondContact O-N 3.2Å
324K52Low59.5Low183 Ų183114.3 Ų114.380%0.79657%0.572SS**Hα-helixtrans-70.4-36.6174.1-71.1-174.1178.4-178.70112.4E322 V328E322-K324 PolarHBondContact O-N 3.32Å; E322-K324 VanDerWaalsContact O-N 3.13Å; K324-V328 PolarHBondContact O-N 3.28Å
325N55.5Low62.1Low95 Ų95111.7 Ų111.751%0.50856%0.559SS.*Hα-helixtrans-73.3-27.6173.5-97.6-30.2000112.8E322 R329E322-N325 CarbonylContact O-C 3.58Å; E322-N325 WeakPolarHBondContact O-CA 3.37Å; E322-N325 WeakPolarHBondContact O-CB 3.41Å; E322-N325 PolarHBondContact O-N 3.42Å; N325-R329 WeakPolarHBondContact O-CB 3.42Å; N325-R329 WeakPolarHBondContact O-CG 3.15Å; N325-R329 PolarHBondContact O-N 2.81Å
326I59.9Low64.5Low46 Ų46112.1 Ų112.124%0.23655%0.554CS.*Hα-helixtrans-70.9-41.7175.6-73.3163.8000107.4E322 N323 R329 Q330E322-I326 HydrophobicContact CB-CD1 3.51Å; E322-I326 HydrophobicContact CB-CG1 3.84Å; E322-I326 WeakPolarHBondContact O-CA 3.47Å; E322-I326 WeakPolarHBondContact O-CB 3.48Å; E322-I326 WeakPolarHBondContact O-CG1 3.45Å; E322-I326 PolarHBondContact O-N 3.18Å; N323-I326 PolarHBondContact O-N 3.41Å; I326-R329 CarbonylContact O-C 3.33Å; I326-R329 PolarHBondContact O-N 2.9Å; I326-Q330 VanDerWaalsContact CG2-CD 3.43Å; I326-Q330 HydrophobicContact CG2-CG 3.83Å; I326-Q330 WeakPolarHBondContact O-CA 3.3Å; I326-Q330 WeakPolarHBondContact O-CB 3.48Å; I326-Q330 WeakPolarHBondContact O-CG 3.4Å; I326-Q330 PolarHBondContact O-N 2.91Å
327D71.6Confident66.9Low110 Ų110109.1 Ų109.159%0.58854%0.543SS*.Hα-helixtrans-63.7-46.1177.3-163.519000111.2N323 R329 Q330 A331N323-D327 PolarHBondContact O-N 3.2Å; D327-R329 PolarHBondContact O-N 2.91Å; D327-Q330 PolarHBondContact O-N 3.22Å; D327-A331 VanDerWaalsContact O-CB 3.22Å; D327-A331 WeakPolarHBondContact O-CB 3Å; D327-A331 PolarHBondContact O-N 3.05Å
328V76.1Confident69.5Low98 Ų98101.9 Ų101.959%0.59452%0.523SS*.Hα-helixtrans-64.6-41.3174179.50000111.8K324 A332K324-V328 PolarHBondContact O-N 3.28Å; V328-A332 VanDerWaalsContact O-CB 3.24Å; V328-A332 WeakPolarHBondContact O-CB 3.39Å; V328-A332 PolarHBondContact O-N 3Å
329R78.9Confident71.9Confident156 Ų156102.7 Ų102.759%0.58952%0.522SS*.Hα-helixtrans-67.4-39.3176.5-77.5173.3-177.6-169.12111.9N325 I326 D327 A332 I333N325-R329 WeakPolarHBondContact O-CB 3.42Å; N325-R329 WeakPolarHBondContact O-CG 3.15Å; N325-R329 PolarHBondContact O-N 2.81Å; I326-R329 CarbonylContact O-C 3.33Å; I326-R329 PolarHBondContact O-N 2.9Å; D327-R329 PolarHBondContact O-N 2.91Å; R329-A332 PolarHBondContact O-N 2.93Å; R329-I333 WeakPolarHBondContact O-CB 3.45Å; R329-I333 WeakPolarHBondContact O-CD1 3.37Å; R329-I333 WeakPolarHBondContact O-CG1 3.24Å; R329-I333 PolarHBondContact O-N 2.82Å
330Q80.6Confident74.2Confident106 Ų106105.7 Ų105.750%0.49553%0.531SS..Hα-helixtrans-67.1-46.6177.1-79.1179-13.500109.6I326 D327 A332 I333 I334I326-Q330 VanDerWaalsContact CG2-CD 3.43Å; I326-Q330 HydrophobicContact CG2-CG 3.83Å; I326-Q330 WeakPolarHBondContact O-CA 3.3Å; I326-Q330 WeakPolarHBondContact O-CB 3.48Å; I326-Q330 WeakPolarHBondContact O-CG 3.4Å; I326-Q330 PolarHBondContact O-N 2.91Å; D327-Q330 PolarHBondContact O-N 3.22Å; Q330-A332 VanDerWaalsContact C-N 3.33Å; Q330-A332 PolarHBondContact O-N 2.77Å; Q330-I333 PolarHBondContact O-N 3.05Å; Q330-I334 WeakPolarHBondContact O-CB 3.3Å; Q330-I334 WeakPolarHBondContact O-CD1 3.5Å; Q330-I334 WeakPolarHBondContact O-CG1 3.26Å; Q330-I334 PolarHBondContact O-N 3.18Å
331A80.5Confident76.5Confident42 Ų42100.5 Ų100.535%0.34750%0.503SS..Hα-helixtrans-56.7-46.4171.500000111.2D327 I333 I334 I335D327-A331 VanDerWaalsContact O-CB 3.22Å; D327-A331 WeakPolarHBondContact O-CB 3Å; D327-A331 PolarHBondContact O-N 3.05Å; A331-I333 PolarHBondContact O-N 3.26Å; A331-I334 PolarHBondContact O-N 3.43Å; A331-I335 WeakPolarHBondContact O-CB 3.33Å; A331-I335 VanDerWaalsContact O-CG1 3.25Å; A331-I335 WeakPolarHBondContact O-CG1 3.46Å; A331-I335 PolarHBondContact O-N 2.93Å
332A84.1Confident78.9Confident36 Ų3699.3 Ų99.330%0.29849%0.489SS..Hα-helixtrans-62.8-42.1176.200000112.5V328 R329 Q330 I334 I335 Q336V328-A332 VanDerWaalsContact O-CB 3.24Å; V328-A332 WeakPolarHBondContact O-CB 3.39Å; V328-A332 PolarHBondContact O-N 3Å; R329-A332 PolarHBondContact O-N 2.93Å; Q330-A332 VanDerWaalsContact C-N 3.33Å; Q330-A332 PolarHBondContact O-N 2.77Å; A332-I334 VanDerWaalsContact C-N 3.35Å; A332-I335 PolarHBondContact O-N 2.91Å; A332-Q336 VanDerWaalsContact O-CB 3.25Å; A332-Q336 WeakPolarHBondContact O-CB 3.2Å; A332-Q336 WeakPolarHBondContact O-CG 3.49Å; A332-Q336 PolarHBondContact O-N 3.22Å
333I86.5Confident81Confident103 Ų10397.8 Ų97.853%0.52849%0.485SS..Hα-helixtrans-63.5-41.7176-72.4161.7000110.4R329 Q330 A331 Q336 S337R329-I333 WeakPolarHBondContact O-CB 3.45Å; R329-I333 WeakPolarHBondContact O-CD1 3.37Å; R329-I333 WeakPolarHBondContact O-CG1 3.24Å; R329-I333 PolarHBondContact O-N 2.82Å; Q330-I333 PolarHBondContact O-N 3.05Å; A331-I333 PolarHBondContact O-N 3.26Å; I333-Q336 PolarHBondContact O-N 3.44Å; I333-S337 WeakPolarHBondContact O-CB 3.44Å; I333-S337 PolarHBondContact O-N 3.16Å; I333-S337 PolarHBondContact O-OG 3.44Å
334I88.8Confident83Confident96 Ų9697.1 Ų97.149%0.49248%0.481SS..Hα-helixtrans-63.6-47.6176.5-69.5164.4000109.9Q330 A331 A332 S337 N338Q330-I334 WeakPolarHBondContact O-CB 3.3Å; Q330-I334 WeakPolarHBondContact O-CD1 3.5Å; Q330-I334 WeakPolarHBondContact O-CG1 3.26Å; Q330-I334 PolarHBondContact O-N 3.18Å; A331-I334 PolarHBondContact O-N 3.43Å; A332-I334 VanDerWaalsContact C-N 3.35Å; I334-S337 WeakPolarHBondContact CA-OG 3.07Å; I334-S337 PolarHBondContact O-N 3.3Å; I334-S337 PolarHBondContact O-OG 2.92Å; I334-N338 VanDerWaalsContact O-CB 3.23Å; I334-N338 WeakPolarHBondContact O-CB 3.07Å; I334-N338 VanDerWaalsContact O-CG 3.22Å; I334-N338 PolarHBondContact O-N 3.21Å; I334-N338 PolarHBondContact O-ND2 3.46Å
335I89.3Confident85.2Confident115 Ų11595.8 Ų95.859%0.5947%0.471SS*.Hα-helixtrans-61.6-47.6177-68166000110.9A331 A332 N338 W339A331-I335 WeakPolarHBondContact O-CB 3.33Å; A331-I335 VanDerWaalsContact O-CG1 3.25Å; A331-I335 WeakPolarHBondContact O-CG1 3.46Å; A331-I335 PolarHBondContact O-N 2.93Å; A332-I335 PolarHBondContact O-N 2.91Å; I335-N338 PolarHBondContact O-N 3.03Å; I335-W339 WeakPolarHBondContact O-CB 3.21Å; I335-W339 PolarHBondContact O-N 3.43Å
336Q91.2Very high87Confident106 Ų10695.7 Ų95.750%0.49547%0.467SS..Hα-helixtrans-65.2-42.2-179.4-74.4175.3-5.200112.4A332 I333 W339 R340A332-Q336 VanDerWaalsContact O-CB 3.25Å; A332-Q336 WeakPolarHBondContact O-CB 3.2Å; A332-Q336 WeakPolarHBondContact O-CG 3.49Å; A332-Q336 PolarHBondContact O-N 3.22Å; I333-Q336 PolarHBondContact O-N 3.44Å; Q336-W339 PolarHBondContact O-N 2.77Å; Q336-R340 WeakPolarHBondContact O-CB 3.31Å; Q336-R340 VanDerWaalsContact O-CG 3.31Å; Q336-R340 WeakPolarHBondContact O-CG 3.4Å; Q336-R340 PolarHBondContact O-N 3.21Å
337S90.9Very high88.6Confident62 Ų6299.4 Ų99.443%0.43448%0.481SS..Hα-helixtrans-67.4-41.817758.80000111.4I333 I334 W339 R340 G341I333-S337 WeakPolarHBondContact O-CB 3.44Å; I333-S337 PolarHBondContact O-N 3.16Å; I333-S337 PolarHBondContact O-OG 3.44Å; I334-S337 WeakPolarHBondContact CA-OG 3.07Å; I334-S337 PolarHBondContact O-N 3.3Å; I334-S337 PolarHBondContact O-OG 2.92Å; S337-W339 PolarHBondContact O-N 2.71Å; S337-R340 PolarHBondContact O-N 2.95Å; S337-G341 PolarHBondContact O-N 2.98Å
338N93Very high89.6Confident98 Ų9898.3 Ų98.352%0.52447%0.474SS..Hα-helixtrans-61.2-41.9172.4-77.1-21.5000112I334 I335 G341 Y342I334-N338 VanDerWaalsContact O-CB 3.23Å; I334-N338 WeakPolarHBondContact O-CB 3.07Å; I334-N338 VanDerWaalsContact O-CG 3.22Å; I334-N338 PolarHBondContact O-N 3.21Å; I334-N338 PolarHBondContact O-ND2 3.46Å; I335-N338 PolarHBondContact O-N 3.03Å; N338-G341 PolarHBondContact O-N 3.46Å; N338-Y342 WeakPolarHBondContact O-CB 3.17Å; N338-Y342 PolarHBondContact O-N 3.22Å
339W93Very high90.5Very high167 Ų167100.1 Ų100.163%0.63347%0.474SS*.Hα-helixtrans-66.9-44.4177.4-178.289000112.5I335 Q336 S337 G341 Y342 S343I335-W339 WeakPolarHBondContact O-CB 3.21Å; I335-W339 PolarHBondContact O-N 3.43Å; Q336-W339 PolarHBondContact O-N 2.77Å; S337-W339 PolarHBondContact O-N 2.71Å; W339-G341 VanDerWaalsContact C-N 3.34Å; W339-G341 PolarHBondContact O-N 2.95Å; W339-Y342 PolarHBondContact O-N 3.38Å; W339-S343 WeakPolarHBondContact O-CB 3.5Å; W339-S343 PolarHBondContact O-N 3.39Å
340R94.1Very high91.3Very high158 Ų15899.6 Ų99.660%0.59647%0.472SS*.Hα-helixtrans-58.9-48173.9-73.5175.7-176.6172.42.5110.5Q336 S337 Y342 S343 D344Q336-R340 WeakPolarHBondContact O-CB 3.31Å; Q336-R340 VanDerWaalsContact O-CG 3.31Å; Q336-R340 WeakPolarHBondContact O-CG 3.4Å; Q336-R340 PolarHBondContact O-N 3.21Å; S337-R340 PolarHBondContact O-N 2.95Å; R340-Y342 PolarHBondContact O-N 2.87Å; R340-S343 WeakPolarHBondContact O-CB 3.42Å; R340-S343 PolarHBondContact O-N 2.76Å; R340-D344 PolarHBondContact O-N 3.01Å
341G94.1Very high91.8Very high20 Ų2099.4 Ų99.421%0.20647%0.472CS..Hα-helixtrans-59.7-42.1175.800000113S337 N338 W339 R345S337-G341 PolarHBondContact O-N 2.98Å; N338-G341 PolarHBondContact O-N 3.46Å; W339-G341 VanDerWaalsContact C-N 3.34Å; W339-G341 PolarHBondContact O-N 2.95Å; G341-R345 WeakPolarHBondContact O-CB 3.5Å; G341-R345 VanDerWaalsContact O-CG 3.26Å; G341-R345 WeakPolarHBondContact O-CG 3.38Å; G341-R345 PolarHBondContact O-N 2.97Å; G341-R345 PolarHBondContact O-NE 3.34Å
342Y94.5Very high92.5Very high131 Ų131101.9 Ų101.951%0.51448%0.48SS..Hα-helixtrans-64.1-45.7174.7169.9-101.8000112.2N338 W339 R340 D344 R345 K346N338-Y342 WeakPolarHBondContact O-CB 3.17Å; N338-Y342 PolarHBondContact O-N 3.22Å; W339-Y342 PolarHBondContact O-N 3.38Å; R340-Y342 PolarHBondContact O-N 2.87Å; Y342-D344 VanDerWaalsContact C-N 3.35Å; Y342-D344 PolarHBondContact O-N 2.98Å; Y342-R345 PolarHBondContact O-N 3.44Å; Y342-K346 HydrophobicContact CE1-CD 4.37Å; Y342-K346 WeakPolarHBondContact O-CB 3.09Å; Y342-K346 PolarHBondContact O-N 3.43Å
343S95.1Very high93Very high32 Ų32105.2 Ų105.222%0.22449%0.489CS..Hα-helixtrans-59.1-45.3178.1-172.70000111.5W339 R340 K346 K347W339-S343 WeakPolarHBondContact O-CB 3.5Å; W339-S343 PolarHBondContact O-N 3.39Å; R340-S343 WeakPolarHBondContact O-CB 3.42Å; R340-S343 PolarHBondContact O-N 2.76Å; S343-K346 PolarHBondContact O-N 3.06Å; S343-K347 WeakPolarHBondContact O-CG 3.24Å; S343-K347 PolarHBondContact O-N 3.17Å
344D93.6Very high93.2Very high79 Ų79103.8 Ų103.842%0.42249%0.489SS..Hα-helixtrans-70-43.6178.7-68.7-25000111.9R340 Y342 K346 K347 I348R340-D344 PolarHBondContact O-N 3.01Å; Y342-D344 VanDerWaalsContact C-N 3.35Å; Y342-D344 PolarHBondContact O-N 2.98Å; D344-K346 PolarHBondContact O-N 3.1Å; D344-K347 PolarHBondContact O-N 2.89Å; D344-K347 VanDerWaalsContact O-N 3.13Å; D344-K347 IonicContact OD1-NZ 3.55Å; D344-I348 VanDerWaalsContact O-CG1 3.32Å; D344-I348 WeakPolarHBondContact O-CG1 3.33Å; D344-I348 PolarHBondContact O-N 3.35Å
345R97.2Very high93.4Very high155 Ų155102.7 Ų102.759%0.58548%0.483SS*.Hα-helixtrans-56.7-39.8172.3-76.8-174.5-66.4-96.74.6111.8G341 Y342 I348 K349G341-R345 WeakPolarHBondContact O-CB 3.5Å; G341-R345 VanDerWaalsContact O-CG 3.26Å; G341-R345 WeakPolarHBondContact O-CG 3.38Å; G341-R345 PolarHBondContact O-N 2.97Å; G341-R345 PolarHBondContact O-NE 3.34Å; Y342-R345 PolarHBondContact O-N 3.44Å; R345-I348 PolarHBondContact O-N 3.32Å; R345-K349 WeakPolarHBondContact O-CB 3.49Å; R345-K349 PolarHBondContact O-N 2.94Å
346K94.5Very high93.7Very high94 Ų9498.8 Ų98.841%0.40947%0.471SS..Hα-helixtrans-66.4-40.6176.5-172.8172.4-176.5172.30112.2Y342 S343 D344 K349 R350Y342-K346 HydrophobicContact CE1-CD 4.37Å; Y342-K346 WeakPolarHBondContact O-CB 3.09Å; Y342-K346 PolarHBondContact O-N 3.43Å; S343-K346 PolarHBondContact O-N 3.06Å; D344-K346 PolarHBondContact O-N 3.1Å; K346-K349 PolarHBondContact O-N 3.41Å; K346-R350 WeakPolarHBondContact O-CG 3.34Å; K346-R350 PolarHBondContact O-N 3.2Å; K346-R350 VanDerWaalsContact O-N 3.15Å
347K93.8Very high93.8Very high123 Ų12398.6 Ų98.654%0.53547%0.473SS..Hα-helixtrans-64-46.7173.4-72173.6-172.6166.70111.7S343 D344 K349 R350 M351S343-K347 WeakPolarHBondContact O-CG 3.24Å; S343-K347 PolarHBondContact O-N 3.17Å; D344-K347 PolarHBondContact O-N 2.89Å; D344-K347 VanDerWaalsContact O-N 3.13Å; D344-K347 IonicContact OD1-NZ 3.55Å; K347-K349 VanDerWaalsContact C-N 3.3Å; K347-K349 PolarHBondContact O-N 3.24Å; K347-R350 PolarHBondContact O-N 3.03Å; K347-M351 WeakPolarHBondContact O-CB 3.14Å; K347-M351 PolarHBondContact O-N 2.78Å
348I92.8Very high93.9Very high87 Ų87101.4 Ų101.445%0.44648%0.482SS..Hα-helixtrans-59.6-42.7177.5-68.1166.9000110.3D344 R345 M351 N352D344-I348 VanDerWaalsContact O-CG1 3.32Å; D344-I348 WeakPolarHBondContact O-CG1 3.33Å; D344-I348 PolarHBondContact O-N 3.35Å; R345-I348 PolarHBondContact O-N 3.32Å; I348-M351 WeakPolarHBondContact O-CB 3.35Å; I348-M351 PolarHBondContact O-N 3.42Å; I348-N352 WeakPolarHBondContact O-CB 3.24Å; I348-N352 VanDerWaalsContact O-CG 3.32Å; I348-N352 PolarHBondContact O-N 3.38Å
349K94.8Very high94Very high136 Ų136101 Ų10159%0.59148%0.477SS*.Hα-helixtrans-58.8-49.7176-172.6177.5177.4-179.60112.1R345 K346 K347 M351 N352 E353R345-K349 WeakPolarHBondContact O-CB 3.49Å; R345-K349 PolarHBondContact O-N 2.94Å; K346-K349 PolarHBondContact O-N 3.41Å; K347-K349 VanDerWaalsContact C-N 3.3Å; K347-K349 PolarHBondContact O-N 3.24Å; K349-M351 VanDerWaalsContact C-N 3.3Å; K349-M351 PolarHBondContact O-N 2.96Å; K349-N352 PolarHBondContact O-N 3.23Å; K349-E353 VanDerWaalsContact CE-OE1 3.32Å; K349-E353 WeakPolarHBondContact CE-OE1 3.44Å; K349-E353 WeakPolarHBondContact O-CG 3.26Å; K349-E353 PolarHBondContact O-N 2.91Å
350R94.4Very high94.1Very high146 Ų146100.5 Ų100.555%0.55148%0.475SS*.Hα-helixtrans-60.5-39.2176.2-71.3176.7-178.6168.4-4.3112.7K346 K347 E353 S354K346-R350 WeakPolarHBondContact O-CG 3.34Å; K346-R350 PolarHBondContact O-N 3.2Å; K346-R350 VanDerWaalsContact O-N 3.15Å; K347-R350 PolarHBondContact O-N 3.03Å; R350-E353 PolarHBondContact O-N 3.45Å; R350-S354 WeakPolarHBondContact O-CB 3.47Å; R350-S354 PolarHBondContact O-N 3.37Å; R350-S354 PolarHBondContact O-OG 3.42Å
351M92.1Very high94.2Very high102 Ų10298.6 Ų98.650%0.50247%0.473SS..Hα-helixtrans-63.4-46.4176.5-175.2176.970.400110.8K347 I348 K349 E353 S354 I355K347-M351 WeakPolarHBondContact O-CB 3.14Å; K347-M351 PolarHBondContact O-N 2.78Å; I348-M351 WeakPolarHBondContact O-CB 3.35Å; I348-M351 PolarHBondContact O-N 3.42Å; K349-M351 VanDerWaalsContact C-N 3.3Å; K349-M351 PolarHBondContact O-N 2.96Å; M351-E353 PolarHBondContact O-N 3.44Å; M351-S354 WeakPolarHBondContact O-CB 3.13Å; M351-S354 PolarHBondContact O-N 3.2Å; M351-I355 HydrophobicContact CG-CD1 3.91Å; M351-I355 VanDerWaalsContact O-CG1 3.27Å; M351-I355 WeakPolarHBondContact O-CG1 3.25Å; M351-I355 PolarHBondContact O-N 3.38Å
352N94.9Very high94.3Very high93 Ų93103.5 Ų103.550%0.49749%0.489SS..Hα-helixtrans-63.3-39176.8-71.3-13.1000112.4I348 K349 I355 G356I348-N352 WeakPolarHBondContact O-CB 3.24Å; I348-N352 VanDerWaalsContact O-CG 3.32Å; I348-N352 PolarHBondContact O-N 3.38Å; K349-N352 PolarHBondContact O-N 3.23Å; N352-I355 PolarHBondContact O-N 3.07Å; N352-G356 PolarHBondContact O-N 3.34Å
353E94.2Very high94.4Very high106 Ų106104.1 Ų104.150%0.49549%0.49SS..Hα-helixtrans-60-46172.4-73165.9-177.500111K349 R350 M351 I355 G356 L357K349-E353 VanDerWaalsContact CE-OE1 3.32Å; K349-E353 WeakPolarHBondContact CE-OE1 3.44Å; K349-E353 WeakPolarHBondContact O-CG 3.26Å; K349-E353 PolarHBondContact O-N 2.91Å; R350-E353 PolarHBondContact O-N 3.45Å; M351-E353 PolarHBondContact O-N 3.44Å; E353-I355 PolarHBondContact O-N 3.48Å; E353-G356 PolarHBondContact O-N 3.23Å; E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 3.12Å
354S91Very high94.5Very high74 Ų74106.5 Ų106.552%0.51750%0.498SS..Hα-helixtrans-64.5-40.2178-56.10000112.2R350 M351 L357 L358R350-S354 WeakPolarHBondContact O-CB 3.47Å; R350-S354 PolarHBondContact O-N 3.37Å; R350-S354 PolarHBondContact O-OG 3.42Å; M351-S354 WeakPolarHBondContact O-CB 3.13Å; M351-S354 PolarHBondContact O-N 3.2Å; S354-L357 PolarHBondContact O-N 3.1Å; S354-L358 WeakPolarHBondContact O-CB 3.31Å; S354-L358 PolarHBondContact O-N 3.32Å
355I92.6Very high94.5Very high73 Ų73108.5 Ų108.537%0.37450%0.504SS..Hα-helixtrans-64.3-43.3174.1-70.4166.7000110.3M351 N352 E353 L357 L358 Q359M351-I355 HydrophobicContact CG-CD1 3.91Å; M351-I355 VanDerWaalsContact O-CG1 3.27Å; M351-I355 WeakPolarHBondContact O-CG1 3.25Å; M351-I355 PolarHBondContact O-N 3.38Å; N352-I355 PolarHBondContact O-N 3.07Å; E353-I355 PolarHBondContact O-N 3.48Å; I355-L357 VanDerWaalsContact C-N 3.33Å; I355-L357 PolarHBondContact O-N 3.4Å; I355-L358 PolarHBondContact O-N 3.01Å; I355-Q359 HydrophobicContact CG2-CG 4.26Å; I355-Q359 WeakPolarHBondContact O-CB 3.4Å; I355-Q359 VanDerWaalsContact O-CG 3.3Å; I355-Q359 WeakPolarHBondContact O-CG 3.38Å; I355-Q359 PolarHBondContact O-N 3.15Å
356G95.3Very high94.5Very high33 Ų33105.2 Ų105.234%0.3450%0.496SS..Hα-helixtrans-59-43.2176.100000112.4N352 E353 Q359 R360N352-G356 PolarHBondContact O-N 3.34Å; E353-G356 PolarHBondContact O-N 3.23Å; G356-Q359 PolarHBondContact O-N 3.13Å; G356-R360 WeakPolarHBondContact O-CB 3.31Å; G356-R360 PolarHBondContact O-N 3.49Å
357L94.7Very high94.6Very high102 Ų102105.9 Ų105.953%0.53450%0.503SS..Hα-helixtrans-62.8-45.5173.9-70.8173.3000112.2E353 S354 I355 Q359 R360 H361E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 3.12Å; S354-L357 PolarHBondContact O-N 3.1Å; I355-L357 VanDerWaalsContact C-N 3.33Å; I355-L357 PolarHBondContact O-N 3.4Å; L357-Q359 PolarHBondContact O-N 3.24Å; L357-R360 PolarHBondContact O-N 3.39Å; L357-H361 PolarHBondContact O-CD2 2.93Å; L357-H361 PolarHBondContact O-N 3.41Å
358L93.1Very high94.6Very high120 Ų120106.2 Ų106.263%0.62850%0.504SS*.Hα-helixtrans-60.7-46.7177.5-173.6156.6000111.3S354 I355 R360 H361 F362S354-L358 WeakPolarHBondContact O-CB 3.31Å; S354-L358 PolarHBondContact O-N 3.32Å; I355-L358 PolarHBondContact O-N 3.01Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-R360 PolarHBondContact O-N 2.86Å; L358-H361 PolarHBondContact O-N 3.03Å; L358-F362 WeakPolarHBondContact O-CB 3.44Å; L358-F362 PolarHBondContact O-N 3.33Å
359Q94.8Very high94.7Very high89 Ų89107 Ų10742%0.41651%0.505SS..Hα-helixtrans-63.4-38.7177.7-71177.8-5.100112I355 G356 L357 F362 R363I355-Q359 HydrophobicContact CG2-CG 4.26Å; I355-Q359 WeakPolarHBondContact O-CB 3.4Å; I355-Q359 VanDerWaalsContact O-CG 3.3Å; I355-Q359 WeakPolarHBondContact O-CG 3.38Å; I355-Q359 PolarHBondContact O-N 3.15Å; G356-Q359 PolarHBondContact O-N 3.13Å; L357-Q359 PolarHBondContact O-N 3.24Å; Q359-F362 PolarHBondContact O-N 3.43Å; Q359-R363 VanDerWaalsContact O-CG 3.32Å; Q359-R363 WeakPolarHBondContact O-CG 3.44Å; Q359-R363 PolarHBondContact O-N 3.24Å
360R95.7Very high94.8Very high157 Ų157104.7 Ų104.759%0.59250%0.498SS*.Hα-helixtrans-61.6-52.3174.7-178.8-179.7-176.7155.17.5111.3G356 L357 L358 F362 R363 E364G356-R360 WeakPolarHBondContact O-CB 3.31Å; G356-R360 PolarHBondContact O-N 3.49Å; L357-R360 PolarHBondContact O-N 3.39Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-R360 PolarHBondContact O-N 2.86Å; R360-F362 VanDerWaalsContact C-N 3.26Å; R360-F362 PolarHBondContact O-N 2.76Å; R360-R363 PolarHBondContact O-N 3.2Å; R360-R363 VanDerWaalsContact O-N 3.12Å; R360-E364 WeakPolarHBondContact CG-OE1 3.32Å; R360-E364 IonicContact CZ-OE1 2.76Å; R360-E364 IonicContact NE-OE1 3.97Å; R360-E364 PolarHBondContact NE-OE1 3.41Å; R360-E364 WeakPolarHBondContact O-CG 3.3Å; R360-E364 PolarHBondContact O-N 2.87Å
361H95.6Very high94.8Very high118 Ų118103.2 Ų103.255%0.54650%0.498SS..Hα-helixtrans-60.4-36.7177.4-76.8-44.5000112.7L357 L358 E364 H365L357-H361 PolarHBondContact O-CD2 2.93Å; L357-H361 PolarHBondContact O-N 3.41Å; L358-H361 PolarHBondContact O-N 3.03Å; H361-E364 IonicContact CE1-OE2 3.01Å; H361-E364 IonicContact ND1-OE2 4Å; H361-E364 PolarHBondContact ND1-OE2 3.26Å; H361-E364 PolarHBondContact O-N 3.1Å; H361-H365 VanDerWaalsContact O-CB 3.28Å; H361-H365 WeakPolarHBondContact O-CB 3.42Å; H361-H365 PolarHBondContact O-N 3.36Å
362F95.4Very high95Very high123 Ų123102.6 Ų102.654%0.53950%0.497SS..Hα-helixtrans-62.3-46.5174.2-180-98.2000111.7L358 Q359 R360 H365 Q366L358-F362 WeakPolarHBondContact O-CB 3.44Å; L358-F362 PolarHBondContact O-N 3.33Å; Q359-F362 PolarHBondContact O-N 3.43Å; R360-F362 VanDerWaalsContact C-N 3.26Å; R360-F362 PolarHBondContact O-N 2.76Å; F362-H365 PolarHBondContact O-N 3.46Å; F362-Q366 HydrophobicContact CD1-CG 4.37Å; F362-Q366 HydrophobicContact CE1-CG 4Å; F362-Q366 HydrophobicContact CZ-CG 4.08Å; F362-Q366 WeakPolarHBondContact O-CG 3.47Å; F362-Q366 PolarHBondContact O-N 2.99Å
363R97.4Very high95.1Very high144 Ų144103.1 Ų103.154%0.54350%0.496SS..Hα-helixtrans-61.9-46176.3-69.5174.5-169.7112.80.6111.8Q359 R360 H365 Q366 L367Q359-R363 VanDerWaalsContact O-CG 3.32Å; Q359-R363 WeakPolarHBondContact O-CG 3.44Å; Q359-R363 PolarHBondContact O-N 3.24Å; R360-R363 PolarHBondContact O-N 3.2Å; R360-R363 VanDerWaalsContact O-N 3.12Å; R363-H365 VanDerWaalsContact C-N 3.33Å; R363-H365 PolarHBondContact O-N 2.85Å; R363-Q366 PolarHBondContact O-N 2.71Å; R363-L367 WeakPolarHBondContact O-CG 3.39Å; R363-L367 PolarHBondContact O-N 3.49Å
364E95.8Very high95.1Very high83 Ų83103.4 Ų103.439%0.38850%0.497SS..Hα-helixtrans-59.1-43176.1-72.3168.9-177.900111.7R360 H361 Q366 L367 K368R360-E364 WeakPolarHBondContact CG-OE1 3.32Å; R360-E364 IonicContact CZ-OE1 2.76Å; R360-E364 IonicContact NE-OE1 3.97Å; R360-E364 PolarHBondContact NE-OE1 3.41Å; R360-E364 WeakPolarHBondContact O-CG 3.3Å; R360-E364 PolarHBondContact O-N 2.87Å; H361-E364 IonicContact CE1-OE2 3.01Å; H361-E364 IonicContact ND1-OE2 4Å; H361-E364 PolarHBondContact ND1-OE2 3.26Å; H361-E364 PolarHBondContact O-N 3.1Å; E364-Q366 PolarHBondContact O-N 2.98Å; E364-L367 PolarHBondContact O-N 3.41Å; E364-K368 WeakPolarHBondContact O-CB 3.25Å; E364-K368 PolarHBondContact O-N 3.04Å
365H95.6Very high95.3Very high121 Ų121106 Ų10656%0.5650%0.501SS*.Hα-helixtrans-64.5-39.6177.1-175.9-81.7000112.3H361 F362 R363 K369H361-H365 VanDerWaalsContact O-CB 3.28Å; H361-H365 WeakPolarHBondContact O-CB 3.42Å; H361-H365 PolarHBondContact O-N 3.36Å; F362-H365 PolarHBondContact O-N 3.46Å; R363-H365 VanDerWaalsContact C-N 3.33Å; R363-H365 PolarHBondContact O-N 2.85Å; H365-K369 WeakPolarHBondContact O-CB 3.38Å; H365-K369 PolarHBondContact O-N 3.38Å
366Q96Very high95.4Very high86 Ų86106.2 Ų106.240%0.40251%0.506SS..Hα-helixtrans-65.2-44.3176-69.2-64.8-10.500111.8F362 R363 E364 K369 L370F362-Q366 HydrophobicContact CD1-CG 4.37Å; F362-Q366 HydrophobicContact CE1-CG 4Å; F362-Q366 HydrophobicContact CZ-CG 4.08Å; F362-Q366 WeakPolarHBondContact O-CG 3.47Å; F362-Q366 PolarHBondContact O-N 2.99Å; R363-Q366 PolarHBondContact O-N 2.71Å; E364-Q366 PolarHBondContact O-N 2.98Å; Q366-K369 WeakPolarHBondContact O-CB 3.18Å; Q366-K369 PolarHBondContact O-N 2.61Å; Q366-L370 PolarHBondContact O-N 3.32Å
367L95.8Very high95.4Very high108 Ų108109 Ų10957%0.56551%0.51SS*.Hα-helixtrans-60.4-48.2175.7-71.7173.2000111.3R363 E364 K369 L370 E371R363-L367 WeakPolarHBondContact O-CG 3.39Å; R363-L367 PolarHBondContact O-N 3.49Å; E364-L367 PolarHBondContact O-N 3.41Å; L367-K369 VanDerWaalsContact C-N 3.27Å; L367-K369 PolarHBondContact O-N 2.92Å; L367-L370 WeakPolarHBondContact O-CB 3.36Å; L367-L370 PolarHBondContact O-N 3.43Å; L367-L370 VanDerWaalsContact O-N 3.11Å; L367-E371 WeakPolarHBondContact O-CG 3.49Å; L367-E371 PolarHBondContact O-N 3.42Å
368K94.9Very high95.4Very high129 Ų129109.3 Ų109.356%0.56151%0.511SS*.Hα-helixtrans-60.5-36.5177.4-173.6170.1-174.11700112.6E364 N372E364-K368 WeakPolarHBondContact O-CB 3.25Å; E364-K368 PolarHBondContact O-N 3.04Å; K368-N372 WeakPolarHBondContact O-CB 3.24Å; K368-N372 PolarHBondContact O-N 3.25Å; K368-N372 PolarHBondContact O-ND2 3.45Å
369K95.5Very high95.5Very high104 Ų104108.3 Ų108.345%0.45250%0.504SS..Hα-helixtrans-63.4-46.1175.3-175.4-177.2173.2-168.10110.9H365 Q366 L367 N372 E373H365-K369 WeakPolarHBondContact O-CB 3.38Å; H365-K369 PolarHBondContact O-N 3.38Å; Q366-K369 WeakPolarHBondContact O-CB 3.18Å; Q366-K369 PolarHBondContact O-N 2.61Å; L367-K369 VanDerWaalsContact C-N 3.27Å; L367-K369 PolarHBondContact O-N 2.92Å; K369-N372 PolarHBondContact O-N 3.01Å; K369-E373 WeakPolarHBondContact CE-OE1 3.49Å; K369-E373 WeakPolarHBondContact O-CG 3.33Å; K369-E373 PolarHBondContact O-N 3.17Å
370L96.5Very high95.6Very high88 Ų88109.3 Ų109.346%0.46151%0.507SS..Hα-helixtrans-63.1-43.8177.5-177.164.9000112Q366 L367 N372 E373 Q374Q366-L370 PolarHBondContact O-N 3.32Å; L367-L370 WeakPolarHBondContact O-CB 3.36Å; L367-L370 PolarHBondContact O-N 3.43Å; L367-L370 VanDerWaalsContact O-N 3.11Å; L370-N372 VanDerWaalsContact C-N 3.35Å; L370-N372 PolarHBondContact O-N 2.92Å; L370-E373 PolarHBondContact O-N 3.34Å; L370-Q374 WeakPolarHBondContact O-CG 3.23Å; L370-Q374 PolarHBondContact O-N 3.49Å
371E95.1Very high95.5Very high114 Ų114105.4 Ų105.453%0.53350%0.498SS..Hα-helixtrans-58.9-45.1175-73.3173175.600111.7L367 E373 Q374 Q375L367-E371 WeakPolarHBondContact O-CG 3.49Å; L367-E371 PolarHBondContact O-N 3.42Å; E371-E373 VanDerWaalsContact C-N 3.32Å; E371-E373 PolarHBondContact O-N 3.39Å; E371-Q374 PolarHBondContact O-N 2.96Å; E371-Q375 WeakPolarHBondContact O-CB 3.33Å; E371-Q375 VanDerWaalsContact O-CG 3.3Å; E371-Q375 WeakPolarHBondContact O-CG 3.25Å; E371-Q375 PolarHBondContact O-N 2.95Å
372N96.3Very high95.4Very high90 Ų90104.8 Ų104.848%0.48149%0.494SS..Hα-helixtrans-62.5-40176.7-69.3-28.6000111.8K368 K369 L370 Q375 V376K368-N372 WeakPolarHBondContact O-CB 3.24Å; K368-N372 PolarHBondContact O-N 3.25Å; K368-N372 PolarHBondContact O-ND2 3.45Å; K369-N372 PolarHBondContact O-N 3.01Å; L370-N372 VanDerWaalsContact C-N 3.35Å; L370-N372 PolarHBondContact O-N 2.92Å; N372-Q375 PolarHBondContact O-N 3.18Å; N372-V376 WeakPolarHBondContact O-CB 3.41Å; N372-V376 VanDerWaalsContact O-CG2 3.24Å; N372-V376 WeakPolarHBondContact O-CG2 3.32Å; N372-V376 PolarHBondContact O-N 3.38Å
373E95.3Very high95.3Very high104 Ų104103 Ų10349%0.48649%0.487SS..Hα-helixtrans-64.3-42.4176.9-73.9171.6-177.100111.5K369 L370 E371 V376 Q377K369-E373 WeakPolarHBondContact CE-OE1 3.49Å; K369-E373 WeakPolarHBondContact O-CG 3.33Å; K369-E373 PolarHBondContact O-N 3.17Å; L370-E373 PolarHBondContact O-N 3.34Å; E371-E373 VanDerWaalsContact C-N 3.32Å; E371-E373 PolarHBondContact O-N 3.39Å; E373-V376 PolarHBondContact O-N 3.12Å; E373-Q377 PolarHBondContact O-N 3.25Å
374Q95.2Very high95.2Very high112 Ų112100.7 Ų100.752%0.52348%0.484SS..Hα-helixtrans-63.5-44.1174.9-71.7175.3-13.400112.3L370 E371 V376 Q377 L378L370-Q374 WeakPolarHBondContact O-CG 3.23Å; L370-Q374 PolarHBondContact O-N 3.49Å; E371-Q374 PolarHBondContact O-N 2.96Å; Q374-V376 PolarHBondContact O-N 3.25Å; Q374-Q377 PolarHBondContact O-N 2.86Å; Q374-Q377 VanDerWaalsContact O-N 3.17Å; Q374-L378 WeakPolarHBondContact O-CG 3.46Å; Q374-L378 PolarHBondContact O-N 3.24Å
375Q94Very high95.1Very high127 Ų127100.9 Ų100.959%0.59349%0.486SS*.Hα-helixtrans-61-44.1176.1-74.2-68.3-28.600111.9E371 N372 Q377 L378 E379E371-Q375 WeakPolarHBondContact O-CB 3.33Å; E371-Q375 VanDerWaalsContact O-CG 3.3Å; E371-Q375 WeakPolarHBondContact O-CG 3.25Å; E371-Q375 PolarHBondContact O-N 2.95Å; N372-Q375 PolarHBondContact O-N 3.18Å; Q375-Q377 VanDerWaalsContact C-N 3.26Å; Q375-Q377 PolarHBondContact O-N 3.42Å; Q375-L378 PolarHBondContact O-N 2.91Å; Q375-E379 PolarHBondContact O-N 3Å
376V95.7Very high95Very high79 Ų7997 Ų9748%0.47947%0.469SS..Hα-helixtrans-62.9-35.1175.7168.20000111.5N372 E373 Q374 K380N372-V376 WeakPolarHBondContact O-CB 3.41Å; N372-V376 VanDerWaalsContact O-CG2 3.24Å; N372-V376 WeakPolarHBondContact O-CG2 3.32Å; N372-V376 PolarHBondContact O-N 3.38Å; E373-V376 PolarHBondContact O-N 3.12Å; Q374-V376 PolarHBondContact O-N 3.25Å; V376-K380 HydrophobicContact CG1-CD 4.45Å; V376-K380 VanDerWaalsContact O-CG 3.31Å; V376-K380 WeakPolarHBondContact O-CG 3.07Å; V376-K380 PolarHBondContact O-N 3.33Å
377Q95Very high95Very high92 Ų9295.7 Ų95.743%0.4347%0.467SS..Hα-helixtrans-69.8-46.6177.3-171.958.130.900111.9E373 Q374 Q375 E379 K380 D381E373-Q377 PolarHBondContact O-N 3.25Å; Q374-Q377 PolarHBondContact O-N 2.86Å; Q374-Q377 VanDerWaalsContact O-N 3.17Å; Q375-Q377 VanDerWaalsContact C-N 3.26Å; Q375-Q377 PolarHBondContact O-N 3.42Å; Q377-E379 VanDerWaalsContact C-N 3.29Å; Q377-E379 PolarHBondContact O-N 3.4Å; Q377-K380 WeakPolarHBondContact O-CB 3.41Å; Q377-K380 PolarHBondContact O-N 3.31Å; Q377-K380 VanDerWaalsContact O-N 3.11Å; Q377-D381 PolarHBondContact NE2-OD1 3.47Å; Q377-D381 VanDerWaalsContact O-CG 3.29Å; Q377-D381 PolarHBondContact O-N 3.42Å
378L95.4Very high94.9Very high107 Ų10796.4 Ų96.456%0.5647%0.469SS*.Hα-helixtrans-58.2-41.4175.8-72.8171.6000112.1Q374 Q375 K380 D381 F382Q374-L378 WeakPolarHBondContact O-CG 3.46Å; Q374-L378 PolarHBondContact O-N 3.24Å; Q375-L378 PolarHBondContact O-N 2.91Å; L378-K380 PolarHBondContact O-N 2.93Å; L378-D381 PolarHBondContact O-N 3.45Å; L378-F382 WeakPolarHBondContact O-CB 3.43Å; L378-F382 PolarHBondContact O-N 3.27Å
379E95.1Very high94.9Very high100 Ų10094.1 Ų94.147%0.46746%0.463SS..Hα-helixtrans-61.8-43.1175.6-179.258.6-149.200111.5Q375 Q377 F382 Q383Q375-E379 PolarHBondContact O-N 3Å; Q377-E379 VanDerWaalsContact C-N 3.29Å; Q377-E379 PolarHBondContact O-N 3.4Å; E379-F382 PolarHBondContact O-N 3.33Å; E379-Q383 VanDerWaalsContact O-CG 3.29Å; E379-Q383 WeakPolarHBondContact O-CG 3.36Å; E379-Q383 PolarHBondContact O-N 3.27Å; E379-Q383 PolarHBondContact OE1-NE2 3.03Å
380K95.5Very high94.8Very high110 Ų11097.4 Ų97.448%0.47847%0.473SS..Hα-helixtrans-62.2-45.9176.1-71.5168.8-175.2172.40111.8V376 Q377 L378 F382 Q383 I384V376-K380 HydrophobicContact CG1-CD 4.45Å; V376-K380 VanDerWaalsContact O-CG 3.31Å; V376-K380 WeakPolarHBondContact O-CG 3.07Å; V376-K380 PolarHBondContact O-N 3.33Å; Q377-K380 WeakPolarHBondContact O-CB 3.41Å; Q377-K380 PolarHBondContact O-N 3.31Å; Q377-K380 VanDerWaalsContact O-N 3.11Å; L378-K380 PolarHBondContact O-N 2.93Å; K380-F382 VanDerWaalsContact C-N 3.28Å; K380-F382 PolarHBondContact O-N 3.4Å; K380-Q383 PolarHBondContact O-N 2.83Å; K380-I384 VanDerWaalsContact O-CG1 3.29Å; K380-I384 WeakPolarHBondContact O-CG1 3.03Å; K380-I384 PolarHBondContact O-N 3.19Å
381D94.8Very high94.7Very high75 Ų7598.4 Ų98.440%0.40147%0.474SS..Hα-helixtrans-62.4-40-179.6-63.5-19.6000110.6Q377 L378 I384 M385Q377-D381 PolarHBondContact NE2-OD1 3.47Å; Q377-D381 VanDerWaalsContact O-CG 3.29Å; Q377-D381 PolarHBondContact O-N 3.42Å; L378-D381 PolarHBondContact O-N 3.45Å; D381-I384 PolarHBondContact O-N 3.32Å; D381-M385 PolarHBondContact O-N 2.87Å
382F92.6Very high94.7Very high105 Ų10599 Ų9946%0.46148%0.475SS..Hα-helixtrans-63.7-43.7173.7-173.8-111.7000112.6L378 E379 K380 I384 M385 I386L378-F382 WeakPolarHBondContact O-CB 3.43Å; L378-F382 PolarHBondContact O-N 3.27Å; E379-F382 PolarHBondContact O-N 3.33Å; K380-F382 VanDerWaalsContact C-N 3.28Å; K380-F382 PolarHBondContact O-N 3.4Å; F382-I384 VanDerWaalsContact C-N 3.35Å; F382-I384 PolarHBondContact O-N 3.2Å; F382-M385 HydrophobicContact CD2-CE 3.61Å; F382-M385 HydrophobicContact CE2-CE 3.56Å; F382-M385 PolarHBondContact O-N 3.43Å; F382-I386 HydrophobicContact CD1-CD1 3.65Å; F382-I386 HydrophobicContact CE1-CD1 3.28Å; F382-I386 HydrophobicContact CE1-CG1 4.27Å; F382-I386 HydrophobicContact CE2-CD1 4.42Å; F382-I386 HydrophobicContact CG-CD1 4.38Å; F382-I386 HydrophobicContact CZ-CD1 3.7Å; F382-I386 HydrophobicContact CZ-CG1 4.32Å; F382-I386 WeakPolarHBondContact O-CG1 3.49Å; F382-I386 PolarHBondContact O-N 2.71Å
383Q94.8Very high94.7Very high84 Ų84103.6 Ų103.639%0.39349%0.486SS..Hα-helixtrans-64.7-37.3176-68.8-57.7-27.100112.6E379 K380 I386 T387E379-Q383 VanDerWaalsContact O-CG 3.29Å; E379-Q383 WeakPolarHBondContact O-CG 3.36Å; E379-Q383 PolarHBondContact O-N 3.27Å; E379-Q383 PolarHBondContact OE1-NE2 3.03Å; K380-Q383 PolarHBondContact O-N 2.83Å; Q383-I386 PolarHBondContact O-N 3.39Å; Q383-T387 WeakPolarHBondContact O-CB 3.27Å; Q383-T387 PolarHBondContact O-N 2.83Å; Q383-T387 PolarHBondContact O-OG1 3.46Å
384I94Very high94.7Very high96 Ų96105.2 Ų105.249%0.49249%0.488SS..Hα-helixtrans-61.6-49.1173.7-70.1165.3000109.7K380 D381 F382 I386 T387 M388K380-I384 VanDerWaalsContact O-CG1 3.29Å; K380-I384 WeakPolarHBondContact O-CG1 3.03Å; K380-I384 PolarHBondContact O-N 3.19Å; D381-I384 PolarHBondContact O-N 3.32Å; F382-I384 VanDerWaalsContact C-N 3.35Å; F382-I384 PolarHBondContact O-N 3.2Å; I384-I386 PolarHBondContact O-N 2.79Å; I384-T387 PolarHBondContact O-N 3Å; I384-T387 VanDerWaalsContact O-N 3.14Å; I384-M388 HydrophobicContact CG2-CG 4.33Å; I384-M388 HydrophobicContact CG2-SD 3.91Å; I384-M388 WeakPolarHBondContact O-CG 3.4Å; I384-M388 PolarHBondContact O-N 2.83Å
385M95Very high94.7Very high88 Ų88108.9 Ų108.943%0.43350%0.498SS..Hα-helixtrans-58.5-46.3177.7-177-160.367.900112.1D381 F382 T387 M388 N389D381-M385 PolarHBondContact O-N 2.87Å; F382-M385 HydrophobicContact CD2-CE 3.61Å; F382-M385 HydrophobicContact CE2-CE 3.56Å; F382-M385 PolarHBondContact O-N 3.43Å; M385-T387 VanDerWaalsContact C-N 3.29Å; M385-T387 PolarHBondContact O-N 3.36Å; M385-M388 PolarHBondContact O-N 3.4Å; M385-N389 WeakPolarHBondContact O-CB 3.44Å; M385-N389 PolarHBondContact O-N 3.32Å
386I93.6Very high94.8Very high38 Ų38107 Ų10720%0.19549%0.489CS..Hα-helixtrans-58.1-45.2175.7-72170.7000110.5F382 Q383 I384 N389 R390F382-I386 HydrophobicContact CD1-CD1 3.65Å; F382-I386 HydrophobicContact CE1-CD1 3.28Å; F382-I386 HydrophobicContact CE1-CG1 4.27Å; F382-I386 HydrophobicContact CE2-CD1 4.42Å; F382-I386 HydrophobicContact CG-CD1 4.38Å; F382-I386 HydrophobicContact CZ-CD1 3.7Å; F382-I386 HydrophobicContact CZ-CG1 4.32Å; F382-I386 WeakPolarHBondContact O-CG1 3.49Å; F382-I386 PolarHBondContact O-N 2.71Å; Q383-I386 PolarHBondContact O-N 3.39Å; I384-I386 PolarHBondContact O-N 2.79Å; I386-N389 PolarHBondContact O-N 3.38Å; I386-R390 HydrophobicContact CG2-CG 4.44Å; I386-R390 WeakPolarHBondContact O-CG 3.44Å; I386-R390 PolarHBondContact O-N 3.4Å
387T94.2Very high94.8Very high59 Ų59108.6 Ų108.636%0.36249%0.489SS..Hα-helixtrans-66.3-42.3-178.2-58.50000111.5Q383 I384 M385 N389 R390 H391Q383-T387 WeakPolarHBondContact O-CB 3.27Å; Q383-T387 PolarHBondContact O-N 2.83Å; Q383-T387 PolarHBondContact O-OG1 3.46Å; I384-T387 PolarHBondContact O-N 3Å; I384-T387 VanDerWaalsContact O-N 3.14Å; M385-T387 VanDerWaalsContact C-N 3.29Å; M385-T387 PolarHBondContact O-N 3.36Å; T387-N389 PolarHBondContact O-N 3Å; T387-R390 PolarHBondContact O-N 3.1Å; T387-H391 VanDerWaalsContact CG2-CE1 3.43Å; T387-H391 WeakPolarHBondContact CG2-CE1 3.41Å; T387-H391 PolarHBondContact O-N 2.86Å; T387-H391 PolarHBondContact O-ND1 2.86Å; T387-H391 VanDerWaalsContact O-ND1 3.09Å
388M93.6Very high94.7Very high123 Ų123107.1 Ų107.161%0.60648%0.484SS*.Hα-helixtrans-60-45.1173.6-71178.372.400111.8I384 M385 R390 H391 K392I384-M388 HydrophobicContact CG2-CG 4.33Å; I384-M388 HydrophobicContact CG2-SD 3.91Å; I384-M388 WeakPolarHBondContact O-CG 3.4Å; I384-M388 PolarHBondContact O-N 2.83Å; M385-M388 PolarHBondContact O-N 3.4Å; M388-R390 PolarHBondContact O-N 3.16Å; M388-H391 PolarHBondContact O-N 3.19Å; M388-K392 PolarHBondContact O-N 3.18Å
389N95Very high94.7Very high81 Ų81107 Ų10743%0.43348%0.48SS..Hα-helixtrans-64.6-38.4177.3-77.7-21.4000112.5M385 I386 T387 K392 R393M385-N389 WeakPolarHBondContact O-CB 3.44Å; M385-N389 PolarHBondContact O-N 3.32Å; I386-N389 PolarHBondContact O-N 3.38Å; T387-N389 PolarHBondContact O-N 3Å; N389-K392 PolarHBondContact O-N 3.38Å; N389-R393 WeakPolarHBondContact O-CG 2.78Å; N389-R393 PolarHBondContact O-N 3.1Å
390R94.5Very high94.6Very high174 Ų174106.4 Ų106.466%0.65748%0.484SS*.Hα-helixtrans-61.8-45.4173.1-74.4174.9-179.6179.92.3111.4I386 T387 M388 R393 Y394I386-R390 HydrophobicContact CG2-CG 4.44Å; I386-R390 WeakPolarHBondContact O-CG 3.44Å; I386-R390 PolarHBondContact O-N 3.4Å; T387-R390 PolarHBondContact O-N 3.1Å; M388-R390 PolarHBondContact O-N 3.16Å; R390-R393 PolarHBondContact O-N 2.96Å; R390-Y394 VanDerWaalsContact O-CB 3.32Å; R390-Y394 WeakPolarHBondContact O-CB 3.19Å; R390-Y394 PolarHBondContact O-N 3.41Å
391H94.5Very high94.3Very high108 Ų108104.2 Ų104.250%0.548%0.475SS..Hα-helixtrans-63.2-41.9176.4-70.1133.3000112.4T387 M388 Y394 R395T387-H391 VanDerWaalsContact CG2-CE1 3.43Å; T387-H391 WeakPolarHBondContact CG2-CE1 3.41Å; T387-H391 PolarHBondContact O-N 2.86Å; T387-H391 PolarHBondContact O-ND1 2.86Å; T387-H391 VanDerWaalsContact O-ND1 3.09Å; M388-H391 PolarHBondContact O-N 3.19Å; H391-Y394 PolarHBondContact O-N 3.08Å; H391-R395 WeakPolarHBondContact O-CG 3.45Å; H391-R395 PolarHBondContact O-N 3.38Å
392K94.1Very high94.1Very high126 Ų126105.8 Ų105.855%0.54848%0.483SS..Hα-helixtrans-59.4-52.2177-172.3-175.9179.6-169.50111.3M388 N389 Y394 R395 E396M388-K392 PolarHBondContact O-N 3.18Å; N389-K392 PolarHBondContact O-N 3.38Å; K392-Y394 VanDerWaalsContact C-N 3.28Å; K392-Y394 PolarHBondContact O-N 2.82Å; K392-R395 WeakPolarHBondContact O-CB 3.49Å; K392-R395 PolarHBondContact O-N 3.42Å; K392-R395 VanDerWaalsContact O-N 3.15Å; K392-E396 WeakPolarHBondContact CE-OE1 3.41Å; K392-E396 IonicContact NZ-OE1 2.62Å; K392-E396 WeakPolarHBondContact O-CG 3.22Å; K392-E396 PolarHBondContact O-N 2.84Å
393R96.1Very high94.1Very high188 Ų188107 Ų10771%0.70949%0.488SS*.Hα-helixtrans-60.7-37.4177.3-73.3-177.2176.9167.9-0112.8N389 R390 K397N389-R393 WeakPolarHBondContact O-CG 2.78Å; N389-R393 PolarHBondContact O-N 3.1Å; R390-R393 PolarHBondContact O-N 2.96Å; R393-K397 WeakPolarHBondContact O-CB 3.49Å; R393-K397 PolarHBondContact O-N 3.41Å
394Y95Very high93.9Very high137 Ų137107.6 Ų107.654%0.53749%0.493SS..Hα-helixtrans-65.4-41.4176.3-175.4-110.7000111.9R390 H391 K392 K397 L398R390-Y394 VanDerWaalsContact O-CB 3.32Å; R390-Y394 WeakPolarHBondContact O-CB 3.19Å; R390-Y394 PolarHBondContact O-N 3.41Å; H391-Y394 PolarHBondContact O-N 3.08Å; K392-Y394 VanDerWaalsContact C-N 3.28Å; K392-Y394 PolarHBondContact O-N 2.82Å; Y394-K397 PolarHBondContact O-N 3.31Å; Y394-L398 HydrophobicContact CD1-CD1 3.89Å; Y394-L398 HydrophobicContact CD1-CG 4.43Å; Y394-L398 HydrophobicContact CE1-CD1 3.39Å; Y394-L398 HydrophobicContact CE1-CG 4.09Å; Y394-L398 HydrophobicContact CE2-CD2 4.47Å; Y394-L398 HydrophobicContact CE2-CG 4.38Å; Y394-L398 WeakPolarHBondContact O-CG 3.47Å; Y394-L398 PolarHBondContact O-N 3.42Å
395R96.5Very high93.6Very high189 Ų189106.8 Ų106.871%0.71348%0.484SS*.Hα-helixtrans-62.9-46.3174.3-72.4-179.8-175.6-179.91112.2H391 K392 K397 L398 E399H391-R395 WeakPolarHBondContact O-CG 3.45Å; H391-R395 PolarHBondContact O-N 3.38Å; K392-R395 WeakPolarHBondContact O-CB 3.49Å; K392-R395 PolarHBondContact O-N 3.42Å; K392-R395 VanDerWaalsContact O-N 3.15Å; R395-K397 VanDerWaalsContact C-N 3.32Å; R395-K397 PolarHBondContact O-N 2.88Å; R395-L398 PolarHBondContact O-N 3.32Å; R395-E399 WeakPolarHBondContact O-CB 3.46Å; R395-E399 PolarHBondContact O-N 3.3Å
396E96Very high93.4Very high89 Ų89107.3 Ų107.342%0.41650%0.497SS..Hα-helixtrans-59-44.6177.1-70.4166.3176.400110.9K392 E399 T400K392-E396 WeakPolarHBondContact CE-OE1 3.41Å; K392-E396 IonicContact NZ-OE1 2.62Å; K392-E396 WeakPolarHBondContact O-CG 3.22Å; K392-E396 PolarHBondContact O-N 2.84Å; E396-E399 PolarHBondContact O-N 3.48Å; E396-T400 WeakPolarHBondContact O-CG2 3.36Å; E396-T400 PolarHBondContact O-N 3.19Å; E396-T400 PolarHBondContact O-OG1 2.94Å
397K94.9Very high93.3Very high112 Ų112109.7 Ų109.749%0.48752%0.517SS..Hα-helixtrans-58.5-51.5174.5-177.9-171.7164.1-172.80111.4R393 Y394 R395 E399 T400 E401R393-K397 WeakPolarHBondContact O-CB 3.49Å; R393-K397 PolarHBondContact O-N 3.41Å; Y394-K397 PolarHBondContact O-N 3.31Å; R395-K397 VanDerWaalsContact C-N 3.32Å; R395-K397 PolarHBondContact O-N 2.88Å; K397-E399 VanDerWaalsContact C-N 3.28Å; K397-E399 PolarHBondContact O-N 2.85Å; K397-T400 PolarHBondContact O-N 3.42Å; K397-T400 VanDerWaalsContact O-N 3.16Å; K397-T400 PolarHBondContact O-OG1 3.42Å; K397-E401 WeakPolarHBondContact CE-OE1 3.24Å; K397-E401 IonicContact NZ-OE1 3.92Å; K397-E401 PolarHBondContact NZ-OE1 2.87Å; K397-E401 PolarHBondContact O-N 3.48Å
398L93.8Very high93.1Very high60 Ų60110.2 Ų110.231%0.31452%0.517SS..Hα-helixtrans-60.2-38.7179.3-72.9179.3000112.1Y394 R395 T400 E401 I402Y394-L398 HydrophobicContact CD1-CD1 3.89Å; Y394-L398 HydrophobicContact CD1-CG 4.43Å; Y394-L398 HydrophobicContact CE1-CD1 3.39Å; Y394-L398 HydrophobicContact CE1-CG 4.09Å; Y394-L398 HydrophobicContact CE2-CD2 4.47Å; Y394-L398 HydrophobicContact CE2-CG 4.38Å; Y394-L398 WeakPolarHBondContact O-CG 3.47Å; Y394-L398 PolarHBondContact O-N 3.42Å; R395-L398 PolarHBondContact O-N 3.32Å; L398-T400 PolarHBondContact O-N 3.36Å; L398-E401 PolarHBondContact O-N 3.39Å; L398-I402 VanDerWaalsContact O-CG1 3.27Å; L398-I402 WeakPolarHBondContact O-CG1 3.37Å; L398-I402 PolarHBondContact O-N 2.96Å
399E94.9Very high93.1Very high104 Ų104108 Ų10849%0.48651%0.511SS..Hα-helixtrans-62.3-43.3176.4-168.7-171.3154.800111.5R395 E396 K397 I402 K403R395-E399 WeakPolarHBondContact O-CB 3.46Å; R395-E399 PolarHBondContact O-N 3.3Å; E396-E399 PolarHBondContact O-N 3.48Å; K397-E399 VanDerWaalsContact C-N 3.28Å; K397-E399 PolarHBondContact O-N 2.85Å; E399-I402 PolarHBondContact O-N 2.88Å; E399-K403 WeakPolarHBondContact O-CG 3.44Å; E399-K403 PolarHBondContact O-N 3.11Å; E399-K403 WeakPolarHBondContact OE1-CE 3.34Å; E399-K403 IonicContact OE1-NZ 3.99Å; E399-K403 PolarHBondContact OE1-NZ 3.29Å
400T93.1Very high92.8Very high88 Ų88106.8 Ų106.854%0.5452%0.518SS..Hα-helixtrans-65.3-38.9175.658.60000112.5E396 K397 L398 K403 L404E396-T400 WeakPolarHBondContact O-CG2 3.36Å; E396-T400 PolarHBondContact O-N 3.19Å; E396-T400 PolarHBondContact O-OG1 2.94Å; K397-T400 PolarHBondContact O-N 3.42Å; K397-T400 VanDerWaalsContact O-N 3.16Å; K397-T400 PolarHBondContact O-OG1 3.42Å; L398-T400 PolarHBondContact O-N 3.36Å; T400-K403 PolarHBondContact O-N 2.89Å; T400-L404 PolarHBondContact O-N 3.43Å
401E90.2Very high92.7Very high64 Ų64103 Ų10330%0.29952%0.517SS..Hα-helixtrans-65.3-44.6176.8-74.7176.9164.600111.3K397 L398 K403 L404 W405K397-E401 WeakPolarHBondContact CE-OE1 3.24Å; K397-E401 IonicContact NZ-OE1 3.92Å; K397-E401 PolarHBondContact NZ-OE1 2.87Å; K397-E401 PolarHBondContact O-N 3.48Å; L398-E401 PolarHBondContact O-N 3.39Å; E401-K403 VanDerWaalsContact C-N 3.33Å; E401-K403 PolarHBondContact O-N 3.02Å; E401-L404 WeakPolarHBondContact O-CB 3.44Å; E401-L404 PolarHBondContact O-N 2.93Å; E401-L404 VanDerWaalsContact O-N 3.16Å; E401-W405 PolarHBondContact O-N 3.35Å
402I89.1Confident92.6Very high108 Ų108102.7 Ų102.755%0.55452%0.519SS*.Hα-helixtrans-59.4-43.8177.6-70.8165.6000111.4L398 E399 L404 W405 S406L398-I402 VanDerWaalsContact O-CG1 3.27Å; L398-I402 WeakPolarHBondContact O-CG1 3.37Å; L398-I402 PolarHBondContact O-N 2.96Å; E399-I402 PolarHBondContact O-N 2.88Å; I402-L404 VanDerWaalsContact C-N 3.33Å; I402-L404 PolarHBondContact O-N 3.35Å; I402-W405 PolarHBondContact O-N 3.36Å; I402-S406 WeakPolarHBondContact O-CB 3.37Å; I402-S406 PolarHBondContact O-N 3.49Å; I402-S406 PolarHBondContact O-OG 3.22Å
403K93.4Very high92.3Very high131 Ų13197.2 Ų97.257%0.5750%0.496SS*.Hα-helixtrans-62-41.5176.9-72.3174.9-173.2168.80111.5E399 T400 E401E399-K403 WeakPolarHBondContact O-CG 3.44Å; E399-K403 PolarHBondContact O-N 3.11Å; E399-K403 WeakPolarHBondContact OE1-CE 3.34Å; E399-K403 IonicContact OE1-NZ 3.99Å; E399-K403 PolarHBondContact OE1-NZ 3.29Å; T400-K403 PolarHBondContact O-N 2.89Å; E401-K403 VanDerWaalsContact C-N 3.33Å; E401-K403 PolarHBondContact O-N 3.02Å
404L90.8Very high92Very high97 Ų9792 Ų9251%0.50848%0.48SS..Hα-helixtrans-62.4-50175.4178.863.8000111.2T400 E401 I402 S406 S407 L408T400-L404 PolarHBondContact O-N 3.43Å; E401-L404 WeakPolarHBondContact O-CB 3.44Å; E401-L404 PolarHBondContact O-N 2.93Å; E401-L404 VanDerWaalsContact O-N 3.16Å; I402-L404 VanDerWaalsContact C-N 3.33Å; I402-L404 PolarHBondContact O-N 3.35Å; L404-S406 VanDerWaalsContact C-N 3.28Å; L404-S406 PolarHBondContact O-N 3.15Å; L404-S407 PolarHBondContact O-N 3.04Å; L404-S407 PolarHBondContact O-OG 3.38Å; L404-L408 HydrophobicContact CD1-CD1 4.45Å; L404-L408 HydrophobicContact CG-CD1 4.17Å
405W87.5Confident91.9Very high78 Ų7890 Ų9030%0.29548%0.478SS..Hα-helixtrans-60.6-36.4-179.6-70.4121.9000113.1E401 I402 S407 L408 V413 E416E401-W405 PolarHBondContact O-N 3.35Å; I402-W405 PolarHBondContact O-N 3.36Å; W405-S407 PolarHBondContact O-N 2.95Å; W405-S407 VanDerWaalsContact O-N 3.15Å; W405-L408 HydrophobicContact CE3-CD1 3.76Å; W405-L408 HydrophobicContact CZ3-CD1 3.88Å; W405-L408 PolarHBondContact O-N 3.37Å; W405-L408 VanDerWaalsContact O-N 3.16Å; W405-V413 HydrophobicContact CD2-CG1 4.28Å; W405-V413 HydrophobicContact CE3-CB 4.01Å; W405-V413 HydrophobicContact CE3-CG1 3.66Å; W405-V413 HydrophobicContact CE3-CG2 3.54Å; W405-V413 HydrophobicContact CZ3-CB 4.09Å; W405-V413 HydrophobicContact CZ3-CG1 3.98Å; W405-V413 HydrophobicContact CZ3-CG2 3.88Å; W405-E416 HydrophobicContact CH2-CB 3.88Å; W405-E416 HydrophobicContact CH2-CG 4.27Å; W405-E416 HydrophobicContact CZ3-CB 4.49Å
406S90.5Very high91.5Very high100 Ų10084.8 Ų84.870%0.69946%0.462SS*.THydrogen-bonded Turntrans-63.5-19177.7-60.60000113.3I402 L404I402-S406 WeakPolarHBondContact O-CB 3.37Å; I402-S406 PolarHBondContact O-N 3.49Å; I402-S406 PolarHBondContact O-OG 3.22Å; L404-S406 VanDerWaalsContact C-N 3.28Å; L404-S406 PolarHBondContact O-N 3.15Å
407S91.8Very high91.1Very high88 Ų8886.3 Ų86.362%0.61546%0.464SS*.THydrogen-bonded Turntrans-95-11.6178.271.80000114.5L404 W405L404-S407 PolarHBondContact O-N 3.04Å; L404-S407 PolarHBondContact O-OG 3.38Å; W405-S407 PolarHBondContact O-N 2.95Å; W405-S407 VanDerWaalsContact O-N 3.15Å
408L91Very high91Very high70 Ų7084 Ų8437%0.36646%0.457SS..SBendtrans-96.7150.3-172.5-69.2172.3000112.6L404 W405 V413L404-L408 HydrophobicContact CD1-CD1 4.45Å; L404-L408 HydrophobicContact CG-CD1 4.17Å; W405-L408 HydrophobicContact CE3-CD1 3.76Å; W405-L408 HydrophobicContact CZ3-CD1 3.88Å; W405-L408 PolarHBondContact O-N 3.37Å; W405-L408 VanDerWaalsContact O-N 3.16Å; L408-V413 HydrophobicContact CB-CG2 4.02Å
409P93.3Very high91Very high76 Ų7686.2 Ų86.249%0.49446%0.464SS..  trans-63.3135.2173.8-21.932.6000113.4C411 L412 V413P409-C411 VanDerWaalsContact C-N 3.34Å; P409-C411 PolarHBondContact O-N 2.9Å; P409-L412 HydrophobicContact CG-CD1 4.27Å; P409-L412 PolarHBondContact O-N 2.99Å; P409-L412 VanDerWaalsContact O-N 3.1Å; P409-V413 WeakPolarHBondContact O-CG2 3.48Å; P409-V413 PolarHBondContact O-N 3.34Å
410G89.2Confident90.8Very high56 Ų5686.9 Ų86.958%0.57747%0.467SS*.Hα-helixtrans-58.2-33-171.900000116.4L412 V413 E414G410-L412 PolarHBondContact O-N 3.49Å; G410-V413 WeakPolarHBondContact O-CB 3.45Å; G410-V413 PolarHBondContact O-N 2.94Å; G410-E414 PolarHBondContact O-N 3.3Å
411C91.6Very high90.9Very high93 Ų9389.6 Ų89.663%0.62847%0.467SS*.Hα-helixtrans-67.4-35.4177.759.10000113P409 N415P409-C411 VanDerWaalsContact C-N 3.34Å; P409-C411 PolarHBondContact O-N 2.9Å; C411-N415 PolarHBondContact O-N 2.94Å
412L91.9Very high91.1Very high102 Ų10293 Ų9353%0.53448%0.483SS..Hα-helixtrans-69.6-38.2174.5-68.6174.8000110.6P409 G410 E416P409-L412 HydrophobicContact CG-CD1 4.27Å; P409-L412 PolarHBondContact O-N 2.99Å; P409-L412 VanDerWaalsContact O-N 3.1Å; G410-L412 PolarHBondContact O-N 3.49Å; L412-E416 PolarHBondContact O-N 2.77Å
413V88.2Confident91.3Very high12 Ų1293 Ų937%0.07348%0.484CS..Hα-helixtrans-60.6-47.5176-177.60000111.5W405 L408 P409 G410 N415 E416 W417W405-V413 HydrophobicContact CD2-CG1 4.28Å; W405-V413 HydrophobicContact CE3-CB 4.01Å; W405-V413 HydrophobicContact CE3-CG1 3.66Å; W405-V413 HydrophobicContact CE3-CG2 3.54Å; W405-V413 HydrophobicContact CZ3-CB 4.09Å; W405-V413 HydrophobicContact CZ3-CG1 3.98Å; W405-V413 HydrophobicContact CZ3-CG2 3.88Å; L408-V413 HydrophobicContact CB-CG2 4.02Å; P409-V413 WeakPolarHBondContact O-CG2 3.48Å; P409-V413 PolarHBondContact O-N 3.34Å; G410-V413 WeakPolarHBondContact O-CB 3.45Å; G410-V413 PolarHBondContact O-N 2.94Å; V413-N415 PolarHBondContact O-N 2.96Å; V413-E416 PolarHBondContact O-N 3.31Å; V413-W417 HydrophobicContact CG1-CD2 3.79Å; V413-W417 HydrophobicContact CG1-CE3 4.2Å; V413-W417 HydrophobicContact CG1-CG 4.35Å; V413-W417 HydrophobicContact CG1-CH2 3.97Å; V413-W417 HydrophobicContact CG1-CZ2 3.51Å; V413-W417 HydrophobicContact CG1-CZ3 4.28Å; V413-W417 WeakPolarHBondContact O-CB 3.34Å; V413-W417 PolarHBondContact O-N 3.4Å
414E90.6Very high91.3Very high79 Ų7989 Ų8937%0.36948%0.475SS..Hα-helixtrans-63.7-42-178.8-171.861.7-150.200112.4G410 E416 W417 N418 R421G410-E414 PolarHBondContact O-N 3.3Å; E414-E416 VanDerWaalsContact C-N 3.31Å; E414-E416 PolarHBondContact O-N 3.4Å; E414-W417 PolarHBondContact O-N 2.9Å; E414-N418 VanDerWaalsContact O-CG 3.29Å; E414-N418 PolarHBondContact O-N 2.9Å; E414-N418 PolarHBondContact O-ND2 2.92Å; E414-R421 IonicContact OE1-NH2 2.79Å; E414-R421 PolarHBondContact OE1-NH2 3.28Å
415N90.8Very high91.5Very high95 Ų9586.5 Ų86.551%0.50847%0.469SS..Hα-helixtrans-60.1-42.5176.7-76.7-9.8000111.8C411 V413 N418 K419C411-N415 PolarHBondContact O-N 2.94Å; V413-N415 PolarHBondContact O-N 2.96Å; N415-N418 PolarHBondContact O-N 3.48Å; N415-K419 PolarHBondContact O-N 3.13Å
416E88.3Confident91.9Very high78 Ų7886.8 Ų86.836%0.36448%0.479SS..Hα-helixtrans-74.2-35-179.5-133.656.6-173.300112.3W405 L412 V413 E414 N418 K419 E420W405-E416 HydrophobicContact CH2-CB 3.88Å; W405-E416 HydrophobicContact CH2-CG 4.27Å; W405-E416 HydrophobicContact CZ3-CB 4.49Å; L412-E416 PolarHBondContact O-N 2.77Å; V413-E416 PolarHBondContact O-N 3.31Å; E414-E416 VanDerWaalsContact C-N 3.31Å; E414-E416 PolarHBondContact O-N 3.4Å; E416-N418 VanDerWaalsContact C-N 3.3Å; E416-N418 PolarHBondContact O-N 2.99Å; E416-K419 PolarHBondContact O-N 3.25Å; E416-K419 IonicContact OE1-NZ 2.86Å; E416-K419 PolarHBondContact OE1-NZ 3.18Å; E416-K419 WeakPolarHBondContact OE2-CD 3.47Å; E416-K419 WeakPolarHBondContact OE2-CE 3.43Å; E416-K419 IonicContact OE2-NZ 3.58Å; E416-K419 PolarHBondContact OE2-NZ 2.91Å; E416-E420 WeakPolarHBondContact O-CG 3.41Å; E416-E420 PolarHBondContact O-N 3.25Å
417W88.5Confident92.1Very high122 Ų12284.7 Ų84.746%0.46246%0.464SS..Hα-helixtrans-61.6-36.5169.6-75.2-5000113.1V413 E414 E420 R421V413-W417 HydrophobicContact CG1-CD2 3.79Å; V413-W417 HydrophobicContact CG1-CE3 4.2Å; V413-W417 HydrophobicContact CG1-CG 4.35Å; V413-W417 HydrophobicContact CG1-CH2 3.97Å; V413-W417 HydrophobicContact CG1-CZ2 3.51Å; V413-W417 HydrophobicContact CG1-CZ3 4.28Å; V413-W417 WeakPolarHBondContact O-CB 3.34Å; V413-W417 PolarHBondContact O-N 3.4Å; E414-W417 PolarHBondContact O-N 2.9Å; W417-E420 PolarHBondContact O-N 3.3Å; W417-R421 WeakPolarHBondContact O-CB 3.29Å; W417-R421 WeakPolarHBondContact O-CG 3.46Å; W417-R421 PolarHBondContact O-N 3.37Å
418N93.1Very high92.3Very high63 Ų6386.2 Ų86.234%0.33746%0.464SS..Hα-helixtrans-65.8-44.5175.5-72.9-25.9000111.7E414 N415 E416 E420 R421 E422E414-N418 VanDerWaalsContact O-CG 3.29Å; E414-N418 PolarHBondContact O-N 2.9Å; E414-N418 PolarHBondContact O-ND2 2.92Å; N415-N418 PolarHBondContact O-N 3.48Å; E416-N418 VanDerWaalsContact C-N 3.3Å; E416-N418 PolarHBondContact O-N 2.99Å; N418-E420 PolarHBondContact O-N 3.44Å; N418-R421 PolarHBondContact O-N 2.89Å; N418-R421 PolarHBondContact OD1-NE 3.44Å; N418-R421 PolarHBondContact OD1-NH2 2.9Å; N418-E422 WeakPolarHBondContact O-CG 3.31Å; N418-E422 PolarHBondContact O-N 2.85Å
419K93.5Very high92.5Very high106 Ų10687.4 Ų87.446%0.46147%0.468SS..Hα-helixtrans-60.3-45.3173.9-66.6176.9-168.2158.20112.1N415 E416 R421 E422 L423N415-K419 PolarHBondContact O-N 3.13Å; E416-K419 PolarHBondContact O-N 3.25Å; E416-K419 IonicContact OE1-NZ 2.86Å; E416-K419 PolarHBondContact OE1-NZ 3.18Å; E416-K419 WeakPolarHBondContact OE2-CD 3.47Å; E416-K419 WeakPolarHBondContact OE2-CE 3.43Å; E416-K419 IonicContact OE2-NZ 3.58Å; E416-K419 PolarHBondContact OE2-NZ 2.91Å; K419-R421 VanDerWaalsContact C-N 3.33Å; K419-R421 PolarHBondContact O-N 3.35Å; K419-E422 PolarHBondContact O-N 3.34Å; K419-L423 WeakPolarHBondContact O-CB 3.09Å; K419-L423 VanDerWaalsContact O-CG 3.31Å; K419-L423 WeakPolarHBondContact O-CG 3.23Å; K419-L423 PolarHBondContact O-N 2.9Å
420E90.9Very high92.7Very high119 Ų11993 Ų9356%0.55648%0.479SS*.Hα-helixtrans-63.1-38177.2-76-65.6154.600112.1E416 W417 N418 L423 A424E416-E420 WeakPolarHBondContact O-CG 3.41Å; E416-E420 PolarHBondContact O-N 3.25Å; W417-E420 PolarHBondContact O-N 3.3Å; N418-E420 PolarHBondContact O-N 3.44Å; E420-L423 PolarHBondContact O-N 3.02Å; E420-A424 WeakPolarHBondContact O-CB 3.48Å; E420-A424 PolarHBondContact O-N 3.27Å
421R93.8Very high93Very high144 Ų14496.2 Ų96.254%0.54348%0.479SS..Hα-helixtrans-62.1-44.6173.7-83.8-172.1-83.9-159.8-7112E414 W417 N418 K419 A424 A425E414-R421 IonicContact OE1-NH2 2.79Å; E414-R421 PolarHBondContact OE1-NH2 3.28Å; W417-R421 WeakPolarHBondContact O-CB 3.29Å; W417-R421 WeakPolarHBondContact O-CG 3.46Å; W417-R421 PolarHBondContact O-N 3.37Å; N418-R421 PolarHBondContact O-N 2.89Å; N418-R421 PolarHBondContact OD1-NE 3.44Å; N418-R421 PolarHBondContact OD1-NH2 2.9Å; K419-R421 VanDerWaalsContact C-N 3.33Å; K419-R421 PolarHBondContact O-N 3.35Å; R421-A424 PolarHBondContact O-N 3.41Å; R421-A425 WeakPolarHBondContact O-CB 3.35Å; R421-A425 PolarHBondContact O-N 3.29Å
422E94.4Very high93.2Very high136 Ų13699.1 Ų99.164%0.63648%0.478SS*.Hα-helixtrans-63.3-46.1176.3-71.1-179.3176.300111.6N418 K419 A424 A425 V426N418-E422 WeakPolarHBondContact O-CG 3.31Å; N418-E422 PolarHBondContact O-N 2.85Å; K419-E422 PolarHBondContact O-N 3.34Å; E422-A424 VanDerWaalsContact C-N 3.33Å; E422-A424 PolarHBondContact O-N 3.48Å; E422-A425 PolarHBondContact O-N 3.46Å; E422-V426 WeakPolarHBondContact O-CG2 3.34Å; E422-V426 PolarHBondContact O-N 3.38Å
423L95.1Very high93.4Very high107 Ų107102.3 Ų102.356%0.5648%0.483SS*.Hα-helixtrans-61.2-41.4175.9-70.6174.5000111.9K419 E420 V426 S427K419-L423 WeakPolarHBondContact O-CB 3.09Å; K419-L423 VanDerWaalsContact O-CG 3.31Å; K419-L423 WeakPolarHBondContact O-CG 3.23Å; K419-L423 PolarHBondContact O-N 2.9Å; E420-L423 PolarHBondContact O-N 3.02Å; L423-V426 PolarHBondContact O-N 3.24Å; L423-S427 VanDerWaalsContact O-CB 3.27Å; L423-S427 WeakPolarHBondContact O-CB 3.26Å; L423-S427 PolarHBondContact O-N 3.21Å
424A93.3Very high93.7Very high48 Ų48102.8 Ų102.840%0.39749%0.49SS..Hα-helixtrans-62.8-44.9175.200000111.3E420 R421 E422 S427 I428E420-A424 WeakPolarHBondContact O-CB 3.48Å; E420-A424 PolarHBondContact O-N 3.27Å; R421-A424 PolarHBondContact O-N 3.41Å; E422-A424 VanDerWaalsContact C-N 3.33Å; E422-A424 PolarHBondContact O-N 3.48Å; A424-S427 WeakPolarHBondContact O-CB 3.5Å; A424-S427 PolarHBondContact O-N 3.29Å; A424-I428 VanDerWaalsContact O-CG1 3.3Å; A424-I428 WeakPolarHBondContact O-CG1 3.37Å; A424-I428 PolarHBondContact O-N 3Å
425A94.8Very high94Very high44 Ų44104.6 Ų104.636%0.36449%0.494SS..Hα-helixtrans-60.3-47.8176.500000111.6R421 E422 S427 I428 Q429R421-A425 WeakPolarHBondContact O-CB 3.35Å; R421-A425 PolarHBondContact O-N 3.29Å; E422-A425 PolarHBondContact O-N 3.46Å; A425-S427 VanDerWaalsContact C-N 3.3Å; A425-S427 PolarHBondContact O-N 3.46Å; A425-I428 PolarHBondContact O-N 3.01Å; A425-Q429 WeakPolarHBondContact O-CB 3.31Å; A425-Q429 VanDerWaalsContact O-CG 3.27Å; A425-Q429 WeakPolarHBondContact O-CG 3.35Å; A425-Q429 PolarHBondContact O-N 3.43Å
426V95.5Very high94.2Very high85 Ų85102.5 Ų102.552%0.51549%0.486SS..Hα-helixtrans-60.6-40.4175.6172.20000111.1E422 L423 Q429 R430E422-V426 WeakPolarHBondContact O-CG2 3.34Å; E422-V426 PolarHBondContact O-N 3.38Å; L423-V426 PolarHBondContact O-N 3.24Å; V426-Q429 PolarHBondContact O-N 3.38Å; V426-R430 VanDerWaalsContact O-CB 3.3Å; V426-R430 WeakPolarHBondContact O-CB 3.38Å; V426-R430 PolarHBondContact O-N 2.91Å
427S94.8Very high94.5Very high55 Ų55101.3 Ų101.339%0.38549%0.49SS..Hα-helixtrans-63.7-44177.1-174.90000112.4L423 A424 A425 R430 H431L423-S427 VanDerWaalsContact O-CB 3.27Å; L423-S427 WeakPolarHBondContact O-CB 3.26Å; L423-S427 PolarHBondContact O-N 3.21Å; A424-S427 WeakPolarHBondContact O-CB 3.5Å; A424-S427 PolarHBondContact O-N 3.29Å; A425-S427 VanDerWaalsContact C-N 3.3Å; A425-S427 PolarHBondContact O-N 3.46Å; S427-R430 PolarHBondContact O-N 3.31Å; S427-H431 PolarHBondContact O-N 3.24Å; S427-H431 PolarHBondContact O-ND1 2.92Å
428I95.1Very high95Very high120 Ų120102.6 Ų102.662%0.61549%0.494SS*.Hα-helixtrans-62.3-48.2175.6-69.7166.1000110A424 A425 R430 H431 Y432A424-I428 VanDerWaalsContact O-CG1 3.3Å; A424-I428 WeakPolarHBondContact O-CG1 3.37Å; A424-I428 PolarHBondContact O-N 3Å; A425-I428 PolarHBondContact O-N 3.01Å; I428-R430 VanDerWaalsContact C-N 3.33Å; I428-R430 PolarHBondContact O-N 3.48Å; I428-H431 PolarHBondContact O-N 3.04Å; I428-Y432 WeakPolarHBondContact O-CB 3.47Å; I428-Y432 PolarHBondContact O-N 3.41Å
429Q96Very high95.1Very high96 Ų96104.6 Ų104.645%0.44950%0.5SS..Hα-helixtrans-60-42.5177.7-70.9173.8-000111.8A425 V426 Y432 R433A425-Q429 WeakPolarHBondContact O-CB 3.31Å; A425-Q429 VanDerWaalsContact O-CG 3.27Å; A425-Q429 WeakPolarHBondContact O-CG 3.35Å; A425-Q429 PolarHBondContact O-N 3.43Å; V426-Q429 PolarHBondContact O-N 3.38Å; Q429-Y432 PolarHBondContact O-N 3.1Å; Q429-R433 WeakPolarHBondContact O-CB 3.31Å; Q429-R433 VanDerWaalsContact O-CG 3.32Å; Q429-R433 WeakPolarHBondContact O-CG 3.49Å; Q429-R433 PolarHBondContact O-N 3.11Å
430R96.5Very high95.1Very high194 Ų194106.5 Ų106.573%0.73251%0.506SS*.Hα-helixtrans-60.2-46.3174.5178.6-176.7177.91780.9111.6V426 S427 I428 Y432 G434V426-R430 VanDerWaalsContact O-CB 3.3Å; V426-R430 WeakPolarHBondContact O-CB 3.38Å; V426-R430 PolarHBondContact O-N 2.91Å; S427-R430 PolarHBondContact O-N 3.31Å; I428-R430 VanDerWaalsContact C-N 3.33Å; I428-R430 PolarHBondContact O-N 3.48Å; R430-Y432 VanDerWaalsContact C-N 3.34Å; R430-G434 PolarHBondContact O-N 3.49Å
431H95.3Very high95.3Very high122 Ų122105.7 Ų105.757%0.56550%0.504SS*.Hα-helixtrans-62.6-41.9177.4-82.786.1000112S427 I428 G434 Y435S427-H431 PolarHBondContact O-N 3.24Å; S427-H431 PolarHBondContact O-ND1 2.92Å; I428-H431 PolarHBondContact O-N 3.04Å; H431-G434 PolarHBondContact O-N 3.39Å; H431-Y435 WeakPolarHBondContact O-CB 3.21Å; H431-Y435 PolarHBondContact O-N 3.04Å
432Y95.7Very high95.3Very high155 Ų155105.1 Ų105.161%0.60851%0.506SS*.Hα-helixtrans-64.6-49.8177.6-179.5-107.2000112.1I428 Q429 R430 G434 Y435 C436I428-Y432 WeakPolarHBondContact O-CB 3.47Å; I428-Y432 PolarHBondContact O-N 3.41Å; Q429-Y432 PolarHBondContact O-N 3.1Å; R430-Y432 VanDerWaalsContact C-N 3.34Å; Y432-G434 VanDerWaalsContact C-N 3.26Å; Y432-G434 PolarHBondContact O-N 3.3Å; Y432-Y435 WeakPolarHBondContact O-CB 3.21Å; Y432-Y435 PolarHBondContact O-N 2.98Å; Y432-C436 VanDerWaalsContact CZ-SG 3.59Å; Y432-C436 PolarHBondContact O-N 2.76Å; Y432-C436 PolarHBondContact O-SG 3.46Å; Y432-C436 VanDerWaalsContact O-SG 3.36Å
433R96.4Very high95.4Very high169 Ų169102.9 Ų102.964%0.63850%0.498SS*.Hα-helixtrans-54.4-44.6173.7-72174.9-178.3144.62.3111.2Q429 C436 A437Q429-R433 WeakPolarHBondContact O-CB 3.31Å; Q429-R433 VanDerWaalsContact O-CG 3.32Å; Q429-R433 WeakPolarHBondContact O-CG 3.49Å; Q429-R433 PolarHBondContact O-N 3.11Å; R433-C436 PolarHBondContact O-N 2.76Å; R433-A437 PolarHBondContact O-N 2.92Å; R433-A437 VanDerWaalsContact O-N 3.11Å
434G95.5Very high95.4Very high21 Ų21101.7 Ų101.722%0.21649%0.49CS..Hα-helixtrans-64.8-39.1175.700000113.8R430 H431 Y432 R438R430-G434 PolarHBondContact O-N 3.49Å; H431-G434 PolarHBondContact O-N 3.39Å; Y432-G434 VanDerWaalsContact C-N 3.26Å; Y432-G434 PolarHBondContact O-N 3.3Å; G434-R438 WeakPolarHBondContact O-CG 3.35Å; G434-R438 PolarHBondContact O-N 3.49Å; G434-R438 PolarHBondContact O-NH1 3.22Å
435Y95.9Very high95.4Very high118 Ų118108.3 Ų108.346%0.46351%0.505SS..Hα-helixtrans-64-46175.2165.3-103.5000111.5H431 Y432 A437 R438 K439H431-Y435 WeakPolarHBondContact O-CB 3.21Å; H431-Y435 PolarHBondContact O-N 3.04Å; Y432-Y435 WeakPolarHBondContact O-CB 3.21Å; Y432-Y435 PolarHBondContact O-N 2.98Å; Y435-A437 VanDerWaalsContact C-N 3.35Å; Y435-A437 PolarHBondContact O-N 3.21Å; Y435-R438 PolarHBondContact O-N 2.84Å; Y435-K439 HydrophobicContact CE1-CD 4.17Å; Y435-K439 VanDerWaalsContact O-CB 3.31Å; Y435-K439 WeakPolarHBondContact O-CB 3.21Å; Y435-K439 PolarHBondContact O-N 3.46Å
436C96.7Very high95.5Very high50 Ų50109 Ų10934%0.33850%0.502SS..Hα-helixtrans-57.2-47.1176.8-68.70000111.5Y432 R433 K439 Y440Y432-C436 VanDerWaalsContact CZ-SG 3.59Å; Y432-C436 PolarHBondContact O-N 2.76Å; Y432-C436 PolarHBondContact O-SG 3.46Å; Y432-C436 VanDerWaalsContact O-SG 3.36Å; R433-C436 PolarHBondContact O-N 2.76Å; C436-K439 PolarHBondContact O-N 3.2Å; C436-Y440 WeakPolarHBondContact O-CB 3.48Å; C436-Y440 PolarHBondContact O-N 3.48Å
437A94.7Very high95.5Very high54 Ų54111.8 Ų111.845%0.44650%0.504SS..Hα-helixtrans-60.6-46.8176.100000112.6R433 Y435 K439 Y440 L441R433-A437 PolarHBondContact O-N 2.92Å; R433-A437 VanDerWaalsContact O-N 3.11Å; Y435-A437 VanDerWaalsContact C-N 3.35Å; Y435-A437 PolarHBondContact O-N 3.21Å; A437-K439 PolarHBondContact O-N 3.42Å; A437-Y440 PolarHBondContact O-N 2.81Å; A437-L441 WeakPolarHBondContact O-CG 3.47Å; A437-L441 PolarHBondContact O-N 3.38Å
438R97.2Very high95.5Very high148 Ų148113.7 Ų113.756%0.55851%0.51SS*.Hα-helixtrans-63.4-39.7177.2-73-174.6-62.7-88.72.1112.4G434 Y435 L441 K442G434-R438 WeakPolarHBondContact O-CG 3.35Å; G434-R438 PolarHBondContact O-N 3.49Å; G434-R438 PolarHBondContact O-NH1 3.22Å; Y435-R438 PolarHBondContact O-N 2.84Å; R438-L441 PolarHBondContact O-N 3.45Å; R438-K442 WeakPolarHBondContact O-CB 3.44Å; R438-K442 PolarHBondContact O-N 3.05Å
439K95.3Very high95.5Very high105 Ų105115.3 Ų115.346%0.45751%0.512SS..Hα-helixtrans-64-45.5177.1-176.3179.4179.5-1780110.9Y435 C436 A437 K442 N443Y435-K439 HydrophobicContact CE1-CD 4.17Å; Y435-K439 VanDerWaalsContact O-CB 3.31Å; Y435-K439 WeakPolarHBondContact O-CB 3.21Å; Y435-K439 PolarHBondContact O-N 3.46Å; C436-K439 PolarHBondContact O-N 3.2Å; A437-K439 PolarHBondContact O-N 3.42Å; K439-K442 PolarHBondContact O-N 2.79Å; K439-N443 VanDerWaalsContact O-CG 3.24Å; K439-N443 PolarHBondContact O-N 2.94Å; K439-N443 PolarHBondContact O-OD1 2.94Å
440Y95.1Very high95.5Very high147 Ų147119.7 Ų119.758%0.57653%0.525SS*.Hα-helixtrans-57.6-50.5174.9176.7-95.1000111.7C436 A437 K442 N443 Q444C436-Y440 WeakPolarHBondContact O-CB 3.48Å; C436-Y440 PolarHBondContact O-N 3.48Å; A437-Y440 PolarHBondContact O-N 2.81Å; Y440-K442 VanDerWaalsContact C-N 3.33Å; Y440-K442 PolarHBondContact O-N 2.97Å; Y440-N443 PolarHBondContact O-N 3.29Å; Y440-Q444 HydrophobicContact CD1-CG 4.38Å; Y440-Q444 HydrophobicContact CE1-CG 3.96Å; Y440-Q444 WeakPolarHBondContact O-CG 3.42Å; Y440-Q444 PolarHBondContact O-N 2.98Å
441L93.9Very high95.5Very high101 Ų101112.6 Ų112.653%0.52950%0.501SS..Hα-helixtrans-62.4-38177.8-70.2176.3000113A437 R438 Q444 R445A437-L441 WeakPolarHBondContact O-CG 3.47Å; A437-L441 PolarHBondContact O-N 3.38Å; R438-L441 PolarHBondContact O-N 3.45Å; L441-Q444 PolarHBondContact O-N 3.27Å; L441-R445 WeakPolarHBondContact O-CG 3.18Å; L441-R445 PolarHBondContact O-N 2.71Å
442K94.4Very high95.3Very high132 Ų132113.7 Ų113.757%0.57450%0.504SS*.Hα-helixtrans-62.6-47.4174.6-177.2179.1177.9-178.20110.9R438 K439 Y440 Q444 R445 D446R438-K442 WeakPolarHBondContact O-CB 3.44Å; R438-K442 PolarHBondContact O-N 3.05Å; K439-K442 PolarHBondContact O-N 2.79Å; Y440-K442 VanDerWaalsContact C-N 3.33Å; Y440-K442 PolarHBondContact O-N 2.97Å; K442-Q444 VanDerWaalsContact C-N 3.33Å; K442-Q444 PolarHBondContact O-N 2.9Å; K442-R445 PolarHBondContact O-N 2.65Å; K442-D446 WeakPolarHBondContact O-CB 3.25Å; K442-D446 PolarHBondContact O-N 2.91Å
443N96.3Very high95.3Very high89 Ų89108.6 Ų108.648%0.47650%0.495SS..Hα-helixtrans-60.1-42.8178.2-70.6-9.2000111.8K439 Y440 D446 Y447K439-N443 VanDerWaalsContact O-CG 3.24Å; K439-N443 PolarHBondContact O-N 2.94Å; K439-N443 PolarHBondContact O-OD1 2.94Å; Y440-N443 PolarHBondContact O-N 3.29Å; N443-D446 PolarHBondContact O-N 3.33Å; N443-Y447 WeakPolarHBondContact O-CB 3.35Å; N443-Y447 PolarHBondContact O-N 3.43Å
444Q95.4Very high95.3Very high83 Ų83102.4 Ų102.439%0.38848%0.48SS..Hα-helixtrans-59.6-46.2174.5-74.8-66.5-28.200112Y440 L441 K442 Y447 L448Y440-Q444 HydrophobicContact CD1-CG 4.38Å; Y440-Q444 HydrophobicContact CE1-CG 3.96Å; Y440-Q444 WeakPolarHBondContact O-CG 3.42Å; Y440-Q444 PolarHBondContact O-N 2.98Å; L441-Q444 PolarHBondContact O-N 3.27Å; K442-Q444 VanDerWaalsContact C-N 3.33Å; K442-Q444 PolarHBondContact O-N 2.9Å; Q444-Y447 PolarHBondContact O-N 2.78Å; Q444-L448 WeakPolarHBondContact O-CG 3.48Å; Q444-L448 PolarHBondContact O-N 2.95Å
445R94Very high95.3Very high187 Ų187107.4 Ų107.471%0.70649%0.492SS*.Hα-helixtrans-63-43.5176.3-75.2177.5175.8169.40.2112.6L441 K442 Y447 L448 K449L441-R445 WeakPolarHBondContact O-CG 3.18Å; L441-R445 PolarHBondContact O-N 2.71Å; K442-R445 PolarHBondContact O-N 2.65Å; R445-Y447 VanDerWaalsContact C-N 3.35Å; R445-L448 PolarHBondContact O-N 3.4Å; R445-K449 WeakPolarHBondContact O-CB 3.41Å; R445-K449 PolarHBondContact O-N 2.64Å
446D95.1Very high95.2Very high59 Ų59105 Ų10532%0.31649%0.49SS..Hα-helixtrans-66.4-38.9179.2-73.9-23000111.2K442 N443 K449 R450K442-D446 WeakPolarHBondContact O-CB 3.25Å; K442-D446 PolarHBondContact O-N 2.91Å; N443-D446 PolarHBondContact O-N 3.33Å; D446-K449 PolarHBondContact O-N 3.23Å; D446-R450 WeakPolarHBondContact O-CG 3.34Å; D446-R450 PolarHBondContact O-N 3.1Å
447Y95.7Very high95.1Very high143 Ų143108.3 Ų108.356%0.56150%0.503SS*.Hα-helixtrans-58.5-53.3171.4172-96.6000111.4N443 Q444 R445 K449 R450 D451N443-Y447 WeakPolarHBondContact O-CB 3.35Å; N443-Y447 PolarHBondContact O-N 3.43Å; Q444-Y447 PolarHBondContact O-N 2.78Å; R445-Y447 VanDerWaalsContact C-N 3.35Å; Y447-K449 PolarHBondContact O-N 3.12Å; Y447-R450 WeakPolarHBondContact O-CB 3.29Å; Y447-R450 PolarHBondContact O-N 3.25Å; Y447-R450 VanDerWaalsContact O-N 3.1Å; Y447-D451 WeakPolarHBondContact O-CB 3.29Å; Y447-D451 PolarHBondContact O-N 2.78Å
448L95.3Very high95.1Very high94 Ų94110.7 Ų110.749%0.49250%0.504SS..Hα-helixtrans-60.3-34.6178.3-69.9174.8000112.6Q444 R445 K452Q444-L448 WeakPolarHBondContact O-CG 3.48Å; Q444-L448 PolarHBondContact O-N 2.95Å; R445-L448 PolarHBondContact O-N 3.4Å; L448-K452 VanDerWaalsContact O-CB 3.26Å; L448-K452 WeakPolarHBondContact O-CB 3.41Å; L448-K452 PolarHBondContact O-N 3.06Å
449K95Very high95Very high155 Ų155108 Ų10867%0.67450%0.501SS*.Hα-helixtrans-65.9-44.6175.5-171.4178.4-179.5-178.10111.4R445 D446 Y447 A453R445-K449 WeakPolarHBondContact O-CB 3.41Å; R445-K449 PolarHBondContact O-N 2.64Å; D446-K449 PolarHBondContact O-N 3.23Å; Y447-K449 PolarHBondContact O-N 3.12Å; K449-A453 WeakPolarHBondContact O-CB 3.35Å; K449-A453 PolarHBondContact O-N 2.76Å
450R96.2Very high94.9Very high188 Ų188107.1 Ų107.171%0.70950%0.501SS*.Hα-helixtrans-64.4-44.7175.8-70173-169178.93.9111.4D446 Y447 A453 A454D446-R450 WeakPolarHBondContact O-CG 3.34Å; D446-R450 PolarHBondContact O-N 3.1Å; Y447-R450 WeakPolarHBondContact O-CB 3.29Å; Y447-R450 PolarHBondContact O-N 3.25Å; Y447-R450 VanDerWaalsContact O-N 3.1Å; R450-A453 WeakPolarHBondContact O-CB 3.38Å; R450-A453 PolarHBondContact O-N 3.16Å; R450-A454 WeakPolarHBondContact O-CB 3.36Å; R450-A454 PolarHBondContact O-N 3.34Å
451D95.5Very high94.9Very high44 Ų44105.7 Ų105.724%0.23550%0.498CS..Hα-helixtrans-64-41.9178.3172.245.4000112Y447 A453 A454 R455Y447-D451 WeakPolarHBondContact O-CB 3.29Å; Y447-D451 PolarHBondContact O-N 2.78Å; D451-A453 PolarHBondContact O-N 3Å; D451-A454 PolarHBondContact O-N 3.5Å; D451-R455 PolarHBondContact O-N 2.99Å; D451-R455 IonicContact OD1-CZ 2.85Å; D451-R455 IonicContact OD1-NH1 3.93Å; D451-R455 PolarHBondContact OD1-NH1 2.89Å; D451-R455 IonicContact OD1-NH2 3.01Å; D451-R455 IonicContact OD2-CZ 3.05Å; D451-R455 IonicContact OD2-NH1 2.69Å; D451-R455 PolarHBondContact OD2-NH1 3.35Å; D451-R455 IonicContact OD2-NH2 3.66Å; D451-R455 PolarHBondContact OD2-NH2 3.03Å
452K93Very high94.9Very high145 Ų145109.5 Ų109.563%0.6351%0.505SS*.Hα-helixtrans-60.9-42170.5-174177.1-178.4177.40112.5L448 T456L448-K452 VanDerWaalsContact O-CB 3.26Å; L448-K452 WeakPolarHBondContact O-CB 3.41Å; L448-K452 PolarHBondContact O-N 3.06Å; K452-T456 PolarHBondContact O-N 3.24Å; K452-T456 PolarHBondContact O-OG1 2.78Å
453A95Very high94.7Very high49 Ų49108.4 Ų108.441%0.40550%0.501SS..Hα-helixtrans-64-44.8175.400000111.3K449 R450 D451 T456 I457K449-A453 WeakPolarHBondContact O-CB 3.35Å; K449-A453 PolarHBondContact O-N 2.76Å; R450-A453 WeakPolarHBondContact O-CB 3.38Å; R450-A453 PolarHBondContact O-N 3.16Å; D451-A453 PolarHBondContact O-N 3Å; A453-T456 WeakPolarHBondContact O-CB 3.4Å; A453-T456 PolarHBondContact O-N 2.82Å; A453-T456 VanDerWaalsContact O-N 3.13Å; A453-I457 WeakPolarHBondContact O-CG1 3.44Å; A453-I457 PolarHBondContact O-N 3.38Å
454A97.2Very high94.4Very high39 Ų39109.8 Ų109.832%0.32250%0.5SS..Hα-helixtrans-58.6-49.3176.500000111.6R450 D451 T456 I457 Q458R450-A454 WeakPolarHBondContact O-CB 3.36Å; R450-A454 PolarHBondContact O-N 3.34Å; D451-A454 PolarHBondContact O-N 3.5Å; A454-T456 VanDerWaalsContact C-N 3.27Å; A454-T456 PolarHBondContact O-N 3.43Å; A454-I457 PolarHBondContact O-N 3.2Å; A454-Q458 WeakPolarHBondContact O-CB 3.49Å; A454-Q458 VanDerWaalsContact O-CG 3.24Å; A454-Q458 WeakPolarHBondContact O-CG 3.3Å; A454-Q458 PolarHBondContact O-N 3.33Å
455R93.9Very high94.2Very high126 Ų126108.9 Ų108.948%0.47550%0.498SS..Hα-helixtrans-56.4-40.2173.9-79.9-167.9-73.9-90.1-8112.7D451 L459D451-R455 PolarHBondContact O-N 2.99Å; D451-R455 IonicContact OD1-CZ 2.85Å; D451-R455 IonicContact OD1-NH1 3.93Å; D451-R455 PolarHBondContact OD1-NH1 2.89Å; D451-R455 IonicContact OD1-NH2 3.01Å; D451-R455 IonicContact OD2-CZ 3.05Å; D451-R455 IonicContact OD2-NH1 2.69Å; D451-R455 PolarHBondContact OD2-NH1 3.35Å; D451-R455 IonicContact OD2-NH2 3.66Å; D451-R455 PolarHBondContact OD2-NH2 3.03Å; R455-L459 WeakPolarHBondContact O-CB 3.36Å; R455-L459 PolarHBondContact O-N 3.05Å
456T94.5Very high93.8Very high68 Ų68102.9 Ų102.942%0.41748%0.484SS..Hα-helixtrans-66.3-43.3179.2-55.50000111.3K452 A453 A454 L459 N460K452-T456 PolarHBondContact O-N 3.24Å; K452-T456 PolarHBondContact O-OG1 2.78Å; A453-T456 WeakPolarHBondContact O-CB 3.4Å; A453-T456 PolarHBondContact O-N 2.82Å; A453-T456 VanDerWaalsContact O-N 3.13Å; A454-T456 VanDerWaalsContact C-N 3.27Å; A454-T456 PolarHBondContact O-N 3.43Å; T456-L459 PolarHBondContact O-N 2.99Å; T456-N460 PolarHBondContact O-N 3.2Å; T456-N460 PolarHBondContact O-ND2 3.38Å
457I94.7Very high93.2Very high119 Ų119107.7 Ų107.761%0.6150%0.498SS*.Hα-helixtrans-63.9-48.8176-67.5167.2000110.2A453 A454 L459 N460 F461A453-I457 WeakPolarHBondContact O-CG1 3.44Å; A453-I457 PolarHBondContact O-N 3.38Å; A454-I457 PolarHBondContact O-N 3.2Å; I457-L459 VanDerWaalsContact C-N 3.34Å; I457-L459 PolarHBondContact O-N 3.25Å; I457-N460 PolarHBondContact O-N 3.39Å; I457-F461 WeakPolarHBondContact O-CB 3.48Å; I457-F461 PolarHBondContact O-N 3.46Å
458Q95.5Very high92.5Very high103 Ų103104.4 Ų104.448%0.48149%0.49SS..Hα-helixtrans-59.3-43.1177.6-71.5169.3-7.900111.8A454 F461 R462A454-Q458 WeakPolarHBondContact O-CB 3.49Å; A454-Q458 VanDerWaalsContact O-CG 3.24Å; A454-Q458 WeakPolarHBondContact O-CG 3.3Å; A454-Q458 PolarHBondContact O-N 3.33Å; Q458-F461 PolarHBondContact O-N 3.11Å; Q458-R462 WeakPolarHBondContact O-CB 3.2Å; Q458-R462 WeakPolarHBondContact O-CG 3.4Å; Q458-R462 PolarHBondContact O-N 3.33Å
459L93.8Very high91.7Very high91 Ų91106.2 Ų106.248%0.47650%0.496SS..Hα-helixtrans-59.2-48.2175.6179.270.5000111.1R455 T456 I457 F461 R462 K463R455-L459 WeakPolarHBondContact O-CB 3.36Å; R455-L459 PolarHBondContact O-N 3.05Å; T456-L459 PolarHBondContact O-N 2.99Å; I457-L459 VanDerWaalsContact C-N 3.34Å; I457-L459 PolarHBondContact O-N 3.25Å; L459-F461 VanDerWaalsContact C-N 3.32Å; L459-F461 PolarHBondContact O-N 2.91Å; L459-R462 PolarHBondContact O-N 3.5Å; L459-K463 WeakPolarHBondContact O-CG 3.37Å; L459-K463 PolarHBondContact O-N 2.63Å
460N94.1Very high90.4Very high87 Ų87103.2 Ų103.247%0.46549%0.493SS..Hα-helixtrans-65.6-36.3178.7-76-34.5000112.1T456 I457 K463 Y464T456-N460 PolarHBondContact O-N 3.2Å; T456-N460 PolarHBondContact O-ND2 3.38Å; I457-N460 PolarHBondContact O-N 3.39Å; N460-K463 WeakPolarHBondContact O-CB 3.5Å; N460-K463 PolarHBondContact O-N 3.39Å; N460-Y464 PolarHBondContact O-N 3.26Å
461F95.2Very high89.2Confident118 Ų11897.2 Ų97.252%0.51848%0.484SS..Hα-helixtrans-68-44.6175.7-174.2-109000112.1I457 Q458 L459 K463 Y464 L465I457-F461 WeakPolarHBondContact O-CB 3.48Å; I457-F461 PolarHBondContact O-N 3.46Å; Q458-F461 PolarHBondContact O-N 3.11Å; L459-F461 VanDerWaalsContact C-N 3.32Å; L459-F461 PolarHBondContact O-N 2.91Å; F461-K463 VanDerWaalsContact C-N 3.3Å; F461-K463 PolarHBondContact O-N 2.91Å; F461-Y464 HydrophobicContact CD2-CD1 4.25Å; F461-Y464 HydrophobicContact CE2-CD1 4.19Å; F461-Y464 CarbonylContact O-C 3.31Å; F461-Y464 WeakPolarHBondContact O-CA 3.31Å; F461-Y464 WeakPolarHBondContact O-CB 3.38Å; F461-Y464 PolarHBondContact O-N 3.17Å; F461-L465 HydrophobicContact CD1-CD1 3.96Å; F461-L465 HydrophobicContact CD1-CG 4.27Å; F461-L465 HydrophobicContact CE1-CD1 3.53Å; F461-L465 HydrophobicContact CE1-CD2 4.27Å; F461-L465 HydrophobicContact CE1-CG 3.92Å; F461-L465 HydrophobicContact CE2-CD2 4.5Å; F461-L465 HydrophobicContact CZ-CD1 4.11Å; F461-L465 HydrophobicContact CZ-CD2 3.98Å; F461-L465 HydrophobicContact CZ-CG 4.08Å; F461-L465 PolarHBondContact O-N 2.93Å
462R93.6Very high87.7Confident180 Ų18098.6 Ų98.668%0.67950%0.497SS*.Hα-helixtrans-58.8-41.4172.5-72.6176.9-178.6178.60.8111.8Q458 L459 Y464 L465 S466Q458-R462 WeakPolarHBondContact O-CB 3.2Å; Q458-R462 WeakPolarHBondContact O-CG 3.4Å; Q458-R462 PolarHBondContact O-N 3.33Å; L459-R462 PolarHBondContact O-N 3.5Å; R462-Y464 VanDerWaalsContact C-N 3.29Å; R462-Y464 PolarHBondContact O-N 3.37Å; R462-L465 PolarHBondContact O-N 3.12Å; R462-S466 WeakPolarHBondContact O-CB 3.44Å; R462-S466 PolarHBondContact O-N 3.28Å
463K88.8Confident86.1Confident109 Ų10995.3 Ų95.347%0.47449%0.492SS..Hα-helixtrans-62.7-35.1172.5-74.5177.9178.6-176.90112.7L459 N460 F461 R467L459-K463 WeakPolarHBondContact O-CG 3.37Å; L459-K463 PolarHBondContact O-N 2.63Å; N460-K463 WeakPolarHBondContact O-CB 3.5Å; N460-K463 PolarHBondContact O-N 3.39Å; F461-K463 VanDerWaalsContact C-N 3.3Å; F461-K463 PolarHBondContact O-N 2.91Å; K463-R467 WeakPolarHBondContact O-CG 3.45Å; K463-R467 PolarHBondContact O-N 3.38Å; K463-R467 PolarHBondContact O-NE 3.33Å; K463-R467 VanDerWaalsContact O-NE 3.13Å
464Y91.5Very high84Confident118 Ų11895.5 Ų95.546%0.46350%0.499SS..Hα-helixtrans-68.5-47.2174.4168.9-103.6000111.6N460 F461 R462 S466 R467 L468N460-Y464 PolarHBondContact O-N 3.26Å; F461-Y464 HydrophobicContact CD2-CD1 4.25Å; F461-Y464 HydrophobicContact CE2-CD1 4.19Å; F461-Y464 CarbonylContact O-C 3.31Å; F461-Y464 WeakPolarHBondContact O-CA 3.31Å; F461-Y464 WeakPolarHBondContact O-CB 3.38Å; F461-Y464 PolarHBondContact O-N 3.17Å; R462-Y464 VanDerWaalsContact C-N 3.29Å; R462-Y464 PolarHBondContact O-N 3.37Å; Y464-S466 PolarHBondContact O-N 2.99Å; Y464-R467 WeakPolarHBondContact O-CB 3.37Å; Y464-R467 PolarHBondContact O-N 3.36Å; Y464-R467 VanDerWaalsContact O-N 3.16Å; Y464-L468 HydrophobicContact CD1-CD1 4.11Å; Y464-L468 HydrophobicContact CE1-CD1 3.43Å; Y464-L468 VanDerWaalsContact CE1-CD1 3.43Å; Y464-L468 HydrophobicContact CE1-CG 4.22Å; Y464-L468 HydrophobicContact CE2-CD1 4.24Å; Y464-L468 HydrophobicContact CE2-CD2 4.42Å; Y464-L468 HydrophobicContact CE2-CG 4.22Å; Y464-L468 PolarHBondContact O-N 3.34Å
465L90.3Very high81.9Confident65 Ų65101.9 Ų101.934%0.3452%0.519SS..Hα-helixtrans-59.1-45.9175.5-68.5-179.6000112.1F461 R462 R467 L468 E469F461-L465 HydrophobicContact CD1-CD1 3.96Å; F461-L465 HydrophobicContact CD1-CG 4.27Å; F461-L465 HydrophobicContact CE1-CD1 3.53Å; F461-L465 HydrophobicContact CE1-CD2 4.27Å; F461-L465 HydrophobicContact CE1-CG 3.92Å; F461-L465 HydrophobicContact CE2-CD2 4.5Å; F461-L465 HydrophobicContact CZ-CD1 4.11Å; F461-L465 HydrophobicContact CZ-CD2 3.98Å; F461-L465 HydrophobicContact CZ-CG 4.08Å; F461-L465 PolarHBondContact O-N 2.93Å; R462-L465 PolarHBondContact O-N 3.12Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3.1Å; L465-L468 HydrophobicContact CD2-CD1 4.44Å; L465-L468 CarbonylContact O-C 3.56Å; L465-L468 WeakPolarHBondContact O-CA 3.32Å; L465-L468 WeakPolarHBondContact O-CB 3.47Å; L465-L468 PolarHBondContact O-N 2.78Å; L465-E469 PolarHBondContact O-N 3.3Å
466S85.3Confident79.6Confident61 Ų61102.9 Ų102.943%0.42753%0.534SS..Hα-helixtrans-57.3-40.5175.8170.70000112.1R462 Y464 L468 E469 C470R462-S466 WeakPolarHBondContact O-CB 3.44Å; R462-S466 PolarHBondContact O-N 3.28Å; Y464-S466 PolarHBondContact O-N 2.99Å; S466-L468 VanDerWaalsContact C-N 3.35Å; S466-L468 PolarHBondContact O-N 3.34Å; S466-E469 PolarHBondContact O-N 3.33Å; S466-C470 WeakPolarHBondContact O-CB 3.42Å; S466-C470 PolarHBondContact O-N 3.07Å; S466-C470 PolarHBondContact O-SG 2.97Å
467R84Confident77Confident160 Ų160103.9 Ų103.960%0.60454%0.54SS*.Hα-helixtrans-64.8-37.3174-75.3179.1-72.7-160.83112.5K463 Y464 L465 A471K463-R467 WeakPolarHBondContact O-CG 3.45Å; K463-R467 PolarHBondContact O-N 3.38Å; K463-R467 PolarHBondContact O-NE 3.33Å; K463-R467 VanDerWaalsContact O-NE 3.13Å; Y464-R467 WeakPolarHBondContact O-CB 3.37Å; Y464-R467 PolarHBondContact O-N 3.36Å; Y464-R467 VanDerWaalsContact O-N 3.16Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3.1Å; R467-A471 WeakPolarHBondContact O-CB 3.41Å; R467-A471 PolarHBondContact O-N 3.12Å
468L80.2Confident74.5Confident74 Ų74106.9 Ų106.939%0.38755%0.549SS..Hα-helixtrans-67.5-42.5175.1-72.6178000112.3Y464 L465 S466 A471 S472Y464-L468 HydrophobicContact CD1-CD1 4.11Å; Y464-L468 HydrophobicContact CE1-CD1 3.43Å; Y464-L468 VanDerWaalsContact CE1-CD1 3.43Å; Y464-L468 HydrophobicContact CE1-CG 4.22Å; Y464-L468 HydrophobicContact CE2-CD1 4.24Å; Y464-L468 HydrophobicContact CE2-CD2 4.42Å; Y464-L468 HydrophobicContact CE2-CG 4.22Å; Y464-L468 PolarHBondContact O-N 3.34Å; L465-L468 HydrophobicContact CD2-CD1 4.44Å; L465-L468 CarbonylContact O-C 3.56Å; L465-L468 WeakPolarHBondContact O-CA 3.32Å; L465-L468 WeakPolarHBondContact O-CB 3.47Å; L465-L468 PolarHBondContact O-N 2.78Å; S466-L468 VanDerWaalsContact C-N 3.35Å; S466-L468 PolarHBondContact O-N 3.34Å; L468-A471 PolarHBondContact O-N 3.35Å; L468-S472 WeakPolarHBondContact O-CB 3.33Å; L468-S472 PolarHBondContact O-N 3.49Å; L468-S472 PolarHBondContact O-OG 3.33Å
469E78.5Confident71.7Confident132 Ų132111.9 Ų111.962%0.61757%0.569SS**Hα-helixtrans-63.1-46.3176.8-74.4172.2-17300111L465 S466 A471 S472 S473L465-E469 PolarHBondContact O-N 3.3Å; S466-E469 PolarHBondContact O-N 3.33Å; E469-A471 VanDerWaalsContact C-N 3.28Å; E469-A471 PolarHBondContact O-N 2.95Å; E469-S472 PolarHBondContact O-N 3.36Å; E469-S472 VanDerWaalsContact O-N 3.11Å; E469-S473 WeakPolarHBondContact O-CB 3.25Å; E469-S473 PolarHBondContact O-N 2.85Å
470C68.6Low69.1Low91 Ų91114.9 Ų114.962%0.61558%0.584SS**Hα-helixtrans-59.4-39.7174.2-67.60000112S466 S472 G474S466-C470 WeakPolarHBondContact O-CB 3.42Å; S466-C470 PolarHBondContact O-N 3.07Å; S466-C470 PolarHBondContact O-SG 2.97Å; C470-S472 VanDerWaalsContact C-N 3.35Å; C470-G474 PolarHBondContact O-N 3.14Å
471A69.4Low66.6Low63 Ų63118.1 Ų118.152%0.52160%0.601SS.*Hα-helixtrans-69.2-31.117600000113.2R467 L468 E469R467-A471 WeakPolarHBondContact O-CB 3.41Å; R467-A471 PolarHBondContact O-N 3.12Å; L468-A471 PolarHBondContact O-N 3.35Å; E469-A471 VanDerWaalsContact C-N 3.28Å; E469-A471 PolarHBondContact O-N 2.95Å
472S65.2Low64Low72 Ų72117.9 Ų117.950%0.50361%0.612SS.*Hα-helixtrans-82.8-40.5-179.3-56.30000112.3L468 E469 C470 G474 K475L468-S472 WeakPolarHBondContact O-CB 3.33Å; L468-S472 PolarHBondContact O-N 3.49Å; L468-S472 PolarHBondContact O-OG 3.33Å; E469-S472 PolarHBondContact O-N 3.36Å; E469-S472 VanDerWaalsContact O-N 3.11Å; C470-S472 VanDerWaalsContact C-N 3.35Å; S472-G474 PolarHBondContact O-N 3.44Å; S472-K475 PolarHBondContact O-N 3.4Å
473S57.9Low61.9Low77 Ų77115.6 Ų115.654%0.53862%0.618SS.*Hα-helixtrans-57.8-39174.6178.60000110.8E469 K475 N476 V477E469-S473 WeakPolarHBondContact O-CB 3.25Å; E469-S473 PolarHBondContact O-N 2.85Å; S473-K475 PolarHBondContact O-N 2.91Å; S473-K475 VanDerWaalsContact O-N 3.09Å; S473-N476 PolarHBondContact O-N 3.48Å; S473-V477 WeakPolarHBondContact O-CG2 3.43Å
474G52.7Low59.9Low53 Ų53118 Ų11855%0.54663%0.631SS.*THydrogen-bonded Turntrans-59.9-18.717400000115.4C470 S472C470-G474 PolarHBondContact O-N 3.14Å; S472-G474 PolarHBondContact O-N 3.44Å
475K52Low57.7Low172 Ų172118.4 Ų118.475%0.74864%0.641SS**THydrogen-bonded Turntrans-92.6-17.4178.3-69.8-173.5178.5179.80114.3S472 S473S472-K475 PolarHBondContact O-N 3.4Å; S473-K475 PolarHBondContact O-N 2.91Å; S473-K475 VanDerWaalsContact O-N 3.09Å
476N45.8Very low55.6Low147 Ų147120.3 Ų120.379%0.78665%0.652SS**SBendtrans-111.115.9-175.6-85.2-12000114.7S473 F478S473-N476 PolarHBondContact O-N 3.48Å; N476-F478 PolarHBondContact O-N 3.14Å
477V40.8Very low54Low90 Ų90122.8 Ų122.855%0.54566%0.66SS.*  trans-81.718.8173.8-160.40000112.8S473S473-V477 WeakPolarHBondContact O-CG2 3.43Å
478F40.6Very low52.5Low182 Ų182120.3 Ų120.380%0.79866%0.657SS**  trans-117.479178.6-75.2-80.1000111.1N476N476-F478 PolarHBondContact O-N 3.14Å
479K37.8Very low51.4Low208 Ų208121.4 Ų121.490%0.90466%0.663SS**  trans178.560.1152.2-100173.6-172.3-171.60109.5
480I39.1Very low50.3Low153 Ų153120 Ų12079%0.78566%0.66SS**SBendtrans-134.2126.7165.1-60.9174.4000106
481D41.4Very low49.9Very low155 Ų155121 Ų12183%0.82965%0.654SS**  trans-47.1122.6-169.2-77.4-49.6000112.6T483D481-T483 PolarHBondContact O-N 3.12Å
482P40.6Very low49.5Very low113 Ų113124.8 Ų124.873%0.73466%0.659SS**  trans-90.897.8-169.633.9-30.3000109.6
483T48.6Very low49.2Very low133 Ų133127 Ų12782%0.81666%0.664SS**SBendtrans-143.3-25.2158.75.60000119.2D481D481-T483 PolarHBondContact O-N 3.12Å
484E47.2Very low49.6Very low160 Ų160127.9 Ų127.975%0.74866%0.66SS**SBendtrans-135.4-43.8-175.9-104.6169.1167.600118.2
485N44.9Very low50.2Low126 Ų126130.6 Ų130.667%0.67466%0.661SS**Hα-helixtrans-82-27.6-167.2-77-18.5000115.8N489N485-N489 PolarHBondContact O-N 3.16Å
486N48.1Very low51.2Low105 Ų105126.1 Ų126.156%0.56165%0.648SS**Hα-helixtrans-79-23.6-177.1-81.4-13.9000114I488 N490N486-I488 VanDerWaalsContact C-N 3.33Å; N486-N490 WeakPolarHBondContact O-CB 3.46Å; N486-N490 PolarHBondContact O-N 2.92Å; N486-N490 VanDerWaalsContact O-N 3.11Å; N486-N490 PolarHBondContact O-ND2 3.34Å
487L50.1Low52.4Low113 Ų113125 Ų12559%0.59264%0.639SS**Hα-helixtrans-70.5-35.3175.9-158.973.8000110.8K491L487-K491 HydrophobicContact CG-CD 4.17Å; L487-K491 WeakPolarHBondContact O-CB 3.38Å; L487-K491 VanDerWaalsContact O-CG 3.22Å; L487-K491 WeakPolarHBondContact O-CG 3.44Å; L487-K491 PolarHBondContact O-N 3.24Å
488I53.5Low54.2Low107 Ų107126.5 Ų126.555%0.54964%0.639SS.*Hα-helixtrans-69.9-48.6179.1-58.2174.9000110.2N486 K491 K492N486-I488 VanDerWaalsContact C-N 3.33Å; I488-K491 PolarHBondContact O-N 3.23Å; I488-K492 VanDerWaalsContact O-CB 3.25Å; I488-K492 WeakPolarHBondContact O-CB 3.43Å; I488-K492 PolarHBondContact O-N 2.9Å
489N55.9Low56Low97 Ų97122 Ų12252%0.51962%0.62SS.*Hα-helixtrans-67.8-41.7-177.9-82.2-15.9000113.2N485 K492 L493N485-N489 PolarHBondContact O-N 3.16Å; N489-K492 PolarHBondContact O-N 3.44Å; N489-L493 PolarHBondContact O-N 2.82Å
490N55.4Low57.9Low102 Ų102116.6 Ų116.655%0.54560%0.604SS.*Hα-helixtrans-68-42.2177.4-75.4-27.7000111.5N486 K492 L493 E494N486-N490 WeakPolarHBondContact O-CB 3.46Å; N486-N490 PolarHBondContact O-N 2.92Å; N486-N490 VanDerWaalsContact O-N 3.11Å; N486-N490 PolarHBondContact O-ND2 3.34Å; N490-K492 VanDerWaalsContact C-N 3.3Å; N490-K492 PolarHBondContact O-N 3.47Å; N490-L493 PolarHBondContact O-N 3.5Å; N490-E494 WeakPolarHBondContact O-CB 3.24Å; N490-E494 PolarHBondContact O-N 3.27Å
491K60.5Low59.7Low114 Ų114114.1 Ų114.150%0.49659%0.592SS.*Hα-helixtrans-60.9-40.9172.5-77.8179.8175.1177.90111.3L487 I488 E494 I495L487-K491 HydrophobicContact CG-CD 4.17Å; L487-K491 WeakPolarHBondContact O-CB 3.38Å; L487-K491 VanDerWaalsContact O-CG 3.22Å; L487-K491 WeakPolarHBondContact O-CG 3.44Å; L487-K491 PolarHBondContact O-N 3.24Å; I488-K491 PolarHBondContact O-N 3.23Å; K491-E494 PolarHBondContact O-N 3.01Å; K491-I495 HydrophobicContact CB-CD1 4.44Å; K491-I495 VanDerWaalsContact O-CB 3.3Å; K491-I495 WeakPolarHBondContact O-CB 3.26Å; K491-I495 VanDerWaalsContact O-CD1 3.3Å; K491-I495 WeakPolarHBondContact O-CD1 3.37Å; K491-I495 WeakPolarHBondContact O-CG1 3.2Å; K491-I495 PolarHBondContact O-N 3.43Å
492K61Low61.5Low141 Ų141111.2 Ų111.261%0.61357%0.57SS**Hα-helixtrans-64.5-42.6-179.9-152.1173.6-173.4179.70111.9I488 N489 N490 T496I488-K492 VanDerWaalsContact O-CB 3.25Å; I488-K492 WeakPolarHBondContact O-CB 3.43Å; I488-K492 PolarHBondContact O-N 2.9Å; N489-K492 PolarHBondContact O-N 3.44Å; N490-K492 VanDerWaalsContact C-N 3.3Å; N490-K492 PolarHBondContact O-N 3.47Å; K492-T496 WeakPolarHBondContact O-CB 3.43Å; K492-T496 PolarHBondContact O-N 3.01Å; K492-T496 PolarHBondContact O-OG1 2.77Å
493L60.2Low63.4Low118 Ų118110.3 Ų110.362%0.61856%0.555SS**Hα-helixtrans-65.6-42.2174.6-76168.6000112.2N489 N490 T496 M497N489-L493 PolarHBondContact O-N 2.82Å; N490-L493 PolarHBondContact O-N 3.5Å; L493-T496 PolarHBondContact O-N 2.95Å; L493-M497 WeakPolarHBondContact O-CB 3.43Å; L493-M497 PolarHBondContact O-N 3.4Å
494E64.6Low64.9Low96 Ų96109.2 Ų109.245%0.44954%0.541SS..Hα-helixtrans-68-39179.5-147.3-166.3155.600111.9N490 K491 M497 K498N490-E494 WeakPolarHBondContact O-CB 3.24Å; N490-E494 PolarHBondContact O-N 3.27Å; K491-E494 PolarHBondContact O-N 3.01Å; E494-M497 PolarHBondContact O-N 3.5Å; E494-K498 WeakPolarHBondContact O-CB 3.42Å; E494-K498 VanDerWaalsContact O-CG 3.3Å; E494-K498 WeakPolarHBondContact O-CG 3.45Å; E494-K498 PolarHBondContact O-N 2.87Å; E494-K498 WeakPolarHBondContact OE1-CE 3.43Å; E494-K498 IonicContact OE1-NZ 2.77Å; E494-K498 PolarHBondContact OE1-NZ 2.9Å
495I66.5Low66.4Low111 Ų111107.2 Ų107.257%0.56953%0.532SS*.Hα-helixtrans-62.3-45.2171.2-68.5161.9000109.6K491 M497 K498 E499K491-I495 HydrophobicContact CB-CD1 4.44Å; K491-I495 VanDerWaalsContact O-CB 3.3Å; K491-I495 WeakPolarHBondContact O-CB 3.26Å; K491-I495 VanDerWaalsContact O-CD1 3.3Å; K491-I495 WeakPolarHBondContact O-CD1 3.37Å; K491-I495 WeakPolarHBondContact O-CG1 3.2Å; K491-I495 PolarHBondContact O-N 3.43Å; I495-M497 VanDerWaalsContact C-N 3.34Å; I495-M497 PolarHBondContact O-N 3.37Å; I495-K498 PolarHBondContact O-N 3.21Å; I495-E499 WeakPolarHBondContact O-CB 3.41Å; I495-E499 PolarHBondContact O-N 3.26Å
496T72.9Confident68.2Low77 Ų77106 Ų10647%0.47252%0.52SS..Hα-helixtrans-62.5-42178.9-52.40000111.2K492 L493 E499 V500K492-T496 WeakPolarHBondContact O-CB 3.43Å; K492-T496 PolarHBondContact O-N 3.01Å; K492-T496 PolarHBondContact O-OG1 2.77Å; L493-T496 PolarHBondContact O-N 2.95Å; T496-E499 PolarHBondContact O-N 2.88Å; T496-V500 VanDerWaalsContact O-CG2 3.31Å; T496-V500 WeakPolarHBondContact O-CG2 3.46Å; T496-V500 PolarHBondContact O-N 3.34Å
497M71.3Confident69.8Low123 Ų123107.4 Ų107.461%0.60652%0.518SS*.Hα-helixtrans-69.6-40.9179.5-165.6163.972.300112.1L493 E494 I495 E499 V500 L501L493-M497 WeakPolarHBondContact O-CB 3.43Å; L493-M497 PolarHBondContact O-N 3.4Å; E494-M497 PolarHBondContact O-N 3.5Å; I495-M497 VanDerWaalsContact C-N 3.34Å; I495-M497 PolarHBondContact O-N 3.37Å; M497-E499 VanDerWaalsContact C-N 3.29Å; M497-E499 PolarHBondContact O-N 3.38Å; M497-V500 PolarHBondContact O-N 3.37Å; M497-L501 WeakPolarHBondContact O-CG 3.41Å; M497-L501 PolarHBondContact O-N 2.95Å
498K78.6Confident71Confident123 Ų123104.7 Ų104.754%0.53551%0.508SS..Hα-helixtrans-62.9-38172.7-75173.4-175.5164.70111.4E494 I495 L501 R502E494-K498 WeakPolarHBondContact O-CB 3.42Å; E494-K498 VanDerWaalsContact O-CG 3.3Å; E494-K498 WeakPolarHBondContact O-CG 3.45Å; E494-K498 PolarHBondContact O-N 2.87Å; E494-K498 WeakPolarHBondContact OE1-CE 3.43Å; E494-K498 IonicContact OE1-NZ 2.77Å; E494-K498 PolarHBondContact OE1-NZ 2.9Å; I495-K498 PolarHBondContact O-N 3.21Å; K498-L501 PolarHBondContact O-N 3.12Å; K498-R502 VanDerWaalsContact O-CB 3.31Å; K498-R502 WeakPolarHBondContact O-CB 3.47Å; K498-R502 PolarHBondContact O-N 3.06Å
499E77.6Confident72.2Confident86 Ų86105.6 Ų105.640%0.40251%0.51SS..Hα-helixtrans-66.8-44.8177.5-17266.1-176.300112.2I495 T496 M497 L501 R502 E503I495-E499 WeakPolarHBondContact O-CB 3.41Å; I495-E499 PolarHBondContact O-N 3.26Å; T496-E499 PolarHBondContact O-N 2.88Å; M497-E499 VanDerWaalsContact C-N 3.29Å; M497-E499 PolarHBondContact O-N 3.38Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 3.01Å; E499-R502 WeakPolarHBondContact O-CB 3.49Å; E499-R502 PolarHBondContact O-N 2.98Å; E499-R502 IonicContact OE1-CZ 3.46Å; E499-R502 IonicContact OE1-NE 3.56Å; E499-R502 IonicContact OE1-NH2 2.66Å; E499-R502 PolarHBondContact OE1-NH2 3.24Å; E499-R502 IonicContact OE2-CZ 3.55Å; E499-R502 IonicContact OE2-NE 2.84Å; E499-R502 PolarHBondContact OE2-NE 3.43Å; E499-R502 IonicContact OE2-NH2 3.53Å; E499-E503 WeakPolarHBondContact O-CG 3.31Å; E499-E503 PolarHBondContact O-N 3.39Å
500V78.1Confident73.4Confident96 Ų96106 Ų10658%0.58252%0.516SS*.Hα-helixtrans-60.9-42174.6170.60000111.2T496 M497 E503 H504T496-V500 VanDerWaalsContact O-CG2 3.31Å; T496-V500 WeakPolarHBondContact O-CG2 3.46Å; T496-V500 PolarHBondContact O-N 3.34Å; M497-V500 PolarHBondContact O-N 3.37Å; V500-E503 PolarHBondContact O-N 2.84Å; V500-H504 WeakPolarHBondContact O-CB 3.48Å; V500-H504 PolarHBondContact O-N 2.88Å
501L76.8Confident74.3Confident101 Ų101106 Ų10653%0.52951%0.512SS..Hα-helixtrans-65.3-41176.5-73.6171.3000111.8M497 K498 E499 H504 Q505M497-L501 WeakPolarHBondContact O-CG 3.41Å; M497-L501 PolarHBondContact O-N 2.95Å; K498-L501 PolarHBondContact O-N 3.12Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 3.01Å; L501-H504 PolarHBondContact O-N 3.48Å; L501-Q505 VanDerWaalsContact O-CB 3.28Å; L501-Q505 WeakPolarHBondContact O-CB 3.24Å; L501-Q505 PolarHBondContact O-N 3.03Å
502R79.9Confident74.6Confident94 Ų94108.5 Ų108.536%0.35553%0.526SS..Hα-helixtrans-63.4-43176.3-172.2-172.371.873.717.3111.7K498 E499 Q505 K506K498-R502 VanDerWaalsContact O-CB 3.31Å; K498-R502 WeakPolarHBondContact O-CB 3.47Å; K498-R502 PolarHBondContact O-N 3.06Å; E499-R502 WeakPolarHBondContact O-CB 3.49Å; E499-R502 PolarHBondContact O-N 2.98Å; E499-R502 IonicContact OE1-CZ 3.46Å; E499-R502 IonicContact OE1-NE 3.56Å; E499-R502 IonicContact OE1-NH2 2.66Å; E499-R502 PolarHBondContact OE1-NH2 3.24Å; E499-R502 IonicContact OE2-CZ 3.55Å; E499-R502 IonicContact OE2-NE 2.84Å; E499-R502 PolarHBondContact OE2-NE 3.43Å; E499-R502 IonicContact OE2-NH2 3.53Å; R502-Q505 PolarHBondContact O-N 3.05Å; R502-K506 VanDerWaalsContact NH1-NZ 3.15Å; R502-K506 WeakPolarHBondContact O-CB 3.48Å; R502-K506 PolarHBondContact O-N 3.38Å
503E80.1Confident74.7Confident93 Ų93110.5 Ų110.544%0.43554%0.537SS..Hα-helixtrans-65.2-41.6174.6-76.2-63121.600111.6E499 V500 Q505 K506 W507E499-E503 WeakPolarHBondContact O-CG 3.31Å; E499-E503 PolarHBondContact O-N 3.39Å; V500-E503 PolarHBondContact O-N 2.84Å; E503-Q505 VanDerWaalsContact C-N 3.32Å; E503-Q505 PolarHBondContact O-N 3.36Å; E503-K506 PolarHBondContact O-N 3.45Å; E503-W507 VanDerWaalsContact O-CB 3.3Å; E503-W507 WeakPolarHBondContact O-CB 3.44Å; E503-W507 PolarHBondContact O-N 3.25Å
504H79Confident75Confident110 Ų110110 Ų11051%0.50954%0.543SS..Hα-helixtrans-62.7-40.2173.8-17960.2000112V500 L501 W507 C508V500-H504 WeakPolarHBondContact O-CB 3.48Å; V500-H504 PolarHBondContact O-N 2.88Å; L501-H504 PolarHBondContact O-N 3.48Å; H504-W507 WeakPolarHBondContact O-CB 3.43Å; H504-W507 PolarHBondContact O-N 3.5Å; H504-C508 PolarHBondContact O-N 2.78Å; H504-C508 PolarHBondContact O-SG 3.19Å
505Q79.4Confident75Confident119 Ų119113.6 Ų113.656%0.55656%0.562SS**Hα-helixtrans-68.5-45.1179-159.7168.7-3.500111.3L501 R502 E503 W507 C508 E509L501-Q505 VanDerWaalsContact O-CB 3.28Å; L501-Q505 WeakPolarHBondContact O-CB 3.24Å; L501-Q505 PolarHBondContact O-N 3.03Å; R502-Q505 PolarHBondContact O-N 3.05Å; E503-Q505 VanDerWaalsContact C-N 3.32Å; E503-Q505 PolarHBondContact O-N 3.36Å; Q505-W507 VanDerWaalsContact C-N 3.27Å; Q505-W507 PolarHBondContact O-N 3.16Å; Q505-C508 WeakPolarHBondContact O-CB 3.39Å; Q505-C508 PolarHBondContact O-N 3.12Å; Q505-C508 VanDerWaalsContact O-N 3.16Å; Q505-E509 WeakPolarHBondContact O-CG 3.41Å; Q505-E509 PolarHBondContact O-N 2.97Å
506K82.5Confident75.3Confident100 Ų100114.8 Ų114.844%0.43556%0.56SS.*Hα-helixtrans-56.2-41.3168.9-86.6-174.7170.2-171.40112.3R502 E503 E509 T510R502-K506 VanDerWaalsContact NH1-NZ 3.15Å; R502-K506 WeakPolarHBondContact O-CB 3.48Å; R502-K506 PolarHBondContact O-N 3.38Å; E503-K506 PolarHBondContact O-N 3.45Å; K506-E509 PolarHBondContact O-N 3.34Å; K506-T510 WeakPolarHBondContact O-CB 3.44Å; K506-T510 WeakPolarHBondContact O-CG2 3.46Å; K506-T510 PolarHBondContact O-N 3.3Å; K506-T510 PolarHBondContact O-OG1 3.1Å
507W82.9Confident75.7Confident134 Ų134114.9 Ų114.951%0.50856%0.562SS.*Hα-helixtrans-63.6-44177.4-17388.7000111E503 H504 Q505 E509 T510 H511E503-W507 VanDerWaalsContact O-CB 3.3Å; E503-W507 WeakPolarHBondContact O-CB 3.44Å; E503-W507 PolarHBondContact O-N 3.25Å; H504-W507 WeakPolarHBondContact O-CB 3.43Å; H504-W507 PolarHBondContact O-N 3.5Å; Q505-W507 VanDerWaalsContact C-N 3.27Å; Q505-W507 PolarHBondContact O-N 3.16Å; W507-E509 PolarHBondContact O-N 2.99Å; W507-T510 WeakPolarHBondContact CA-OG1 3.41Å; W507-T510 PolarHBondContact O-N 3.38Å; W507-T510 PolarHBondContact O-OG1 3.06Å; W507-H511 AromaticContact CD1-CE1 3.56Å; W507-H511 AromaticContact CD1-ND1 3.61Å; W507-H511 AromaticContact CD2-ND1 3.92Å; W507-H511 AromaticContact CE2-CE1 3.98Å; W507-H511 AromaticContact CE2-CG 3.88Å; W507-H511 AromaticContact CE2-ND1 3.73Å; W507-H511 AromaticContact CG-ND1 3.86Å; W507-H511 HydrophobicContact CH2-CB 4.44Å; W507-H511 HydrophobicContact CZ2-CB 4.38Å; W507-H511 AromaticContact NE1-CE1 3.35Å; W507-H511 PolarHBondContact NE1-CE1 2.89Å; W507-H511 AromaticContact NE1-ND1 3.51Å; W507-H511 AromaticContact NE1-NE2 3.75Å; W507-H511 VanDerWaalsContact O-CB 3.27Å; W507-H511 WeakPolarHBondContact O-CB 3.37Å; W507-H511 PolarHBondContact O-N 2.81Å; W507-H511 PolarHBondContact O-ND1 3.36Å
508C75.3Confident75.9Confident57 Ų57115.8 Ų115.839%0.38557%0.568SS.*Hα-helixtrans-64.4-37.4175-70.80000113H504 Q505 H511 Q512H504-C508 PolarHBondContact O-N 2.78Å; H504-C508 PolarHBondContact O-SG 3.19Å; Q505-C508 WeakPolarHBondContact O-CB 3.39Å; Q505-C508 PolarHBondContact O-N 3.12Å; Q505-C508 VanDerWaalsContact O-N 3.16Å; C508-H511 CarbonylContact O-C 3.58Å; C508-Q512 PolarHBondContact O-N 3.48Å
509E78.3Confident76Confident126 Ų126116.6 Ų116.659%0.58958%0.578SS**Hα-helixtrans-69.1-40.2176.3-73.9171-173.200112.2Q505 K506 W507Q505-E509 WeakPolarHBondContact O-CG 3.41Å; Q505-E509 PolarHBondContact O-N 2.97Å; K506-E509 PolarHBondContact O-N 3.34Å; W507-E509 PolarHBondContact O-N 2.99Å
510T80.9Confident76.1Confident106 Ų106117.1 Ų117.165%0.6558%0.58SS**Hα-helixtrans-74.3-30.3176.449.40000112.6K506 W507K506-T510 WeakPolarHBondContact O-CB 3.44Å; K506-T510 WeakPolarHBondContact O-CG2 3.46Å; K506-T510 PolarHBondContact O-N 3.3Å; K506-T510 PolarHBondContact O-OG1 3.1Å; W507-T510 WeakPolarHBondContact CA-OG1 3.41Å; W507-T510 PolarHBondContact O-N 3.38Å; W507-T510 PolarHBondContact O-OG1 3.06Å
511H73.5Confident76.3Confident101 Ų101116.8 Ų116.847%0.46858%0.575SS.*THydrogen-bonded Turntrans-109.956.6179.8-58.174.8000110.7W507 C508 Q513W507-H511 AromaticContact CD1-CE1 3.56Å; W507-H511 AromaticContact CD1-ND1 3.61Å; W507-H511 AromaticContact CD2-ND1 3.92Å; W507-H511 AromaticContact CE2-CE1 3.98Å; W507-H511 AromaticContact CE2-CG 3.88Å; W507-H511 AromaticContact CE2-ND1 3.73Å; W507-H511 AromaticContact CG-ND1 3.86Å; W507-H511 HydrophobicContact CH2-CB 4.44Å; W507-H511 HydrophobicContact CZ2-CB 4.38Å; W507-H511 AromaticContact NE1-CE1 3.35Å; W507-H511 PolarHBondContact NE1-CE1 2.89Å; W507-H511 AromaticContact NE1-ND1 3.51Å; W507-H511 AromaticContact NE1-NE2 3.75Å; W507-H511 VanDerWaalsContact O-CB 3.27Å; W507-H511 WeakPolarHBondContact O-CB 3.37Å; W507-H511 PolarHBondContact O-N 2.81Å; W507-H511 PolarHBondContact O-ND1 3.36Å; C508-H511 CarbonylContact O-C 3.58Å; H511-Q513 PolarHBondContact O-N 3.19Å; H511-Q513 VanDerWaalsContact O-N 3.1Å
512Q68.3Low76.5Confident167 Ų167117.6 Ų117.678%0.7858%0.576SS**  trans-54.2119.6175.1-78.1-171.5-8.800110.6C508 S514C508-Q512 PolarHBondContact O-N 3.48Å; Q512-S514 PolarHBondContact O-N 3.44Å
513Q61.1Low76.9Confident182 Ų182117.9 Ų117.985%0.8558%0.584SS**  trans-73.794.4177.5-64.3-172.7-12.100109.5H511 M515H511-Q513 PolarHBondContact O-N 3.19Å; H511-Q513 VanDerWaalsContact O-N 3.1Å; Q513-M515 PolarHBondContact O-N 3.23Å; Q513-M515 VanDerWaalsContact O-N 3.17Å
514S68.3Low77.1Confident107 Ų107115.5 Ų115.575%0.74858%0.576SS**  trans-70107.9167-176.90000109Q512 R516Q512-S514 PolarHBondContact O-N 3.44Å; S514-R516 PolarHBondContact O-N 3.48Å; S514-R516 VanDerWaalsContact O-N 3.08Å
515M63.8Low77.5Confident172 Ų172115.5 Ų115.585%0.84758%0.576SS**  trans-69.3105.7178.3-171.3167.7151.600108.8Q513Q513-M515 PolarHBondContact O-N 3.23Å; Q513-M515 VanDerWaalsContact O-N 3.17Å
516R73.3Confident78Confident137 Ų137114.8 Ų114.852%0.51757%0.571SS.*  trans-62.9151.4179.6-67.1-172.1-174.6-170.90.3111.1S514 Q520 L521 V524S514-R516 PolarHBondContact O-N 3.48Å; S514-R516 VanDerWaalsContact O-N 3.08Å; R516-Q520 HydrophobicContact CB-CB 4.47Å; R516-L521 HydrophobicContact CB-CD1 4.46Å; R516-L521 VanDerWaalsContact O-CD1 3.25Å; R516-L521 WeakPolarHBondContact O-CD1 3.22Å; R516-V524 VanDerWaalsContact NH1-CG2 3.28Å
517P80.2Confident78.5Confident79 Ų79114.4 Ų114.451%0.51357%0.571SS.*  trans-58.7148.4174.423.8-33.2000111.6N519 Q520 L521P517-N519 PolarHBondContact O-N 3.46Å; P517-N519 VanDerWaalsContact O-N 3.12Å; P517-Q520 HydrophobicContact CG-CB 4.38Å; P517-Q520 HydrophobicContact CG-CG 4.08Å; P517-Q520 PolarHBondContact O-N 2.87Å; P517-L521 PolarHBondContact O-N 2.75Å
518I76.8Confident78.9Confident142 Ų142110.9 Ų110.973%0.72856%0.564SS**Hα-helixtrans-52.2-40.5-171.1-66.2168.2000112.5Q520 L521I518-Q520 VanDerWaalsContact C-N 3.3Å; I518-Q520 PolarHBondContact O-N 3.28Å; I518-L521 VanDerWaalsContact O-CB 3.26Å; I518-L521 WeakPolarHBondContact O-CB 3.42Å; I518-L521 PolarHBondContact O-N 2.98Å; I518-L521 VanDerWaalsContact O-N 3.09Å
519N79Confident79.7Confident139 Ų139112.8 Ų112.874%0.74357%0.567SS**Hα-helixtrans-63.5-35.7-178.3-59.1-3.2000112.1P517 L521P517-N519 PolarHBondContact O-N 3.46Å; P517-N519 VanDerWaalsContact O-N 3.12Å; N519-L521 VanDerWaalsContact C-N 3.34Å
520Q81.1Confident80.5Confident97 Ų97111.7 Ų111.745%0.45356%0.564SS.*Hα-helixtrans-80-17.6177.3-66.8-178.8-11.500112.7R516 P517 I518 E522 D523 V524R516-Q520 HydrophobicContact CB-CB 4.47Å; P517-Q520 HydrophobicContact CG-CB 4.38Å; P517-Q520 HydrophobicContact CG-CG 4.08Å; P517-Q520 PolarHBondContact O-N 2.87Å; I518-Q520 VanDerWaalsContact C-N 3.3Å; I518-Q520 PolarHBondContact O-N 3.28Å; Q520-E522 VanDerWaalsContact C-N 3.29Å; Q520-E522 PolarHBondContact O-N 3.48Å; Q520-D523 PolarHBondContact O-N 3.39Å; Q520-V524 VanDerWaalsContact O-CG2 3.31Å; Q520-V524 WeakPolarHBondContact O-CG2 3.39Å; Q520-V524 PolarHBondContact O-N 3.05Å
521L80.8Confident81.2Confident89 Ų89112 Ų11247%0.46656%0.557SS.*Hα-helixtrans-66.7-34.4-179.6-126.1109.1000111.4R516 P517 I518 N519 H525R516-L521 HydrophobicContact CB-CD1 4.46Å; R516-L521 VanDerWaalsContact O-CD1 3.25Å; R516-L521 WeakPolarHBondContact O-CD1 3.22Å; P517-L521 PolarHBondContact O-N 2.75Å; I518-L521 VanDerWaalsContact O-CB 3.26Å; I518-L521 WeakPolarHBondContact O-CB 3.42Å; I518-L521 PolarHBondContact O-N 2.98Å; I518-L521 VanDerWaalsContact O-N 3.09Å; N519-L521 VanDerWaalsContact C-N 3.34Å; L521-H525 WeakPolarHBondContact O-CB 3.04Å; L521-H525 PolarHBondContact O-N 2.79Å
522E82.1Confident82.1Confident118 Ų118110.4 Ų110.455%0.55155%0.551SS**Hα-helixtrans-67.3-42.7177.1-163.2-177.3150.100111.5Q520 H525 K526Q520-E522 VanDerWaalsContact C-N 3.29Å; Q520-E522 PolarHBondContact O-N 3.48Å; E522-H525 WeakPolarHBondContact O-CB 3.45Å; E522-H525 PolarHBondContact O-N 3.24Å; E522-K526 WeakPolarHBondContact O-CG 3.35Å; E522-K526 PolarHBondContact O-N 2.86Å; E522-K526 VanDerWaalsContact OE1-CE 3.29Å; E522-K526 WeakPolarHBondContact OE1-CE 3.47Å; E522-K526 IonicContact OE1-NZ 2.64Å; E522-K526 PolarHBondContact OE1-NZ 3.01Å
523D87.8Confident83.3Confident100 Ų100103.4 Ų103.454%0.53552%0.524SS..Hα-helixtrans-64.1-43.6176.3-66-28.1000111.4Q520 H525 K526 E527Q520-D523 PolarHBondContact O-N 3.39Å; D523-H525 VanDerWaalsContact C-N 3.3Å; D523-H525 PolarHBondContact O-N 3.44Å; D523-K526 PolarHBondContact O-N 2.96Å; D523-E527 WeakPolarHBondContact O-CB 3.17Å; D523-E527 PolarHBondContact O-N 3.04Å
524V85.1Confident84.8Confident44 Ų4499.2 Ų99.227%0.26750%0.504SS..Hα-helixtrans-62.2-39.1173.9171.50000111.2R516 Q520 E527 T528R516-V524 VanDerWaalsContact NH1-CG2 3.28Å; Q520-V524 VanDerWaalsContact O-CG2 3.31Å; Q520-V524 WeakPolarHBondContact O-CG2 3.39Å; Q520-V524 PolarHBondContact O-N 3.05Å; V524-E527 PolarHBondContact O-N 3.49Å; V524-T528 VanDerWaalsContact O-CB 3.23Å; V524-T528 WeakPolarHBondContact O-CB 3.28Å; V524-T528 PolarHBondContact O-N 3.3Å; V524-T528 PolarHBondContact O-OG1 3.09Å
525H87Confident86Confident109 Ų109101 Ų10151%0.50550%0.496SS..Hα-helixtrans-64-46.5176.7-171.178.3000111.1L521 E522 D523 E527 T528 Q529L521-H525 WeakPolarHBondContact O-CB 3.04Å; L521-H525 PolarHBondContact O-N 2.79Å; E522-H525 WeakPolarHBondContact O-CB 3.45Å; E522-H525 PolarHBondContact O-N 3.24Å; D523-H525 VanDerWaalsContact C-N 3.3Å; D523-H525 PolarHBondContact O-N 3.44Å; H525-E527 PolarHBondContact O-N 3.41Å; H525-T528 PolarHBondContact O-N 3.27Å; H525-Q529 PolarHBondContact CE1-NE2 3.46Å; H525-Q529 VanDerWaalsContact CE1-NE2 3.29Å; H525-Q529 PolarHBondContact NE2-NE2 2.87Å; H525-Q529 VanDerWaalsContact O-CG 3.32Å; H525-Q529 WeakPolarHBondContact O-CG 3.47Å; H525-Q529 PolarHBondContact O-N 3.08Å
526K89.2Confident87.2Confident105 Ų105101.5 Ų101.546%0.45749%0.488SS..Hα-helixtrans-58.6-48175.6-73171.1-175159.90111.1E522 D523 T528 Q529 I530E522-K526 WeakPolarHBondContact O-CG 3.35Å; E522-K526 PolarHBondContact O-N 2.86Å; E522-K526 VanDerWaalsContact OE1-CE 3.29Å; E522-K526 WeakPolarHBondContact OE1-CE 3.47Å; E522-K526 IonicContact OE1-NZ 2.64Å; E522-K526 PolarHBondContact OE1-NZ 3.01Å; D523-K526 PolarHBondContact O-N 2.96Å; K526-T528 VanDerWaalsContact C-N 3.34Å; K526-T528 PolarHBondContact O-N 2.73Å; K526-Q529 PolarHBondContact O-N 3.16Å; K526-I530 WeakPolarHBondContact O-CG1 3.29Å; K526-I530 PolarHBondContact O-N 3.46Å
527E93.1Very high87.7Confident91 Ų91102.7 Ų102.743%0.42549%0.492SS..Hα-helixtrans-60.1-43.4176.6-168.1-168.4157.800111.7D523 V524 H525 I530 K531D523-E527 WeakPolarHBondContact O-CB 3.17Å; D523-E527 PolarHBondContact O-N 3.04Å; V524-E527 PolarHBondContact O-N 3.49Å; H525-E527 PolarHBondContact O-N 3.41Å; E527-I530 PolarHBondContact O-N 2.91Å; E527-K531 WeakPolarHBondContact O-CG 3.32Å; E527-K531 PolarHBondContact O-N 3.48Å; E527-K531 WeakPolarHBondContact OE1-CE 3.34Å; E527-K531 IonicContact OE1-NZ 3.74Å; E527-K531 PolarHBondContact OE1-NZ 2.7Å
528T91.9Very high88.3Confident60 Ų60103.2 Ų103.237%0.36849%0.491SS..Hα-helixtrans-64.9-41.6178.7-58.60000111.4V524 H525 K526 I530 K531 I532V524-T528 VanDerWaalsContact O-CB 3.23Å; V524-T528 WeakPolarHBondContact O-CB 3.28Å; V524-T528 PolarHBondContact O-N 3.3Å; V524-T528 PolarHBondContact O-OG1 3.09Å; H525-T528 PolarHBondContact O-N 3.27Å; K526-T528 VanDerWaalsContact C-N 3.34Å; K526-T528 PolarHBondContact O-N 2.73Å; T528-I530 VanDerWaalsContact C-N 3.32Å; T528-I530 PolarHBondContact O-N 3.34Å; T528-K531 PolarHBondContact O-N 3.1Å; T528-I532 HydrophobicContact CG2-CD1 3.92Å; T528-I532 HydrophobicContact CG2-CG1 4.4Å; T528-I532 WeakPolarHBondContact O-CB 3.36Å; T528-I532 VanDerWaalsContact O-CG1 3.29Å; T528-I532 WeakPolarHBondContact O-CG1 3.24Å; T528-I532 PolarHBondContact O-N 2.98Å
529Q93.2Very high88.8Confident97 Ų97103 Ų10345%0.45348%0.482SS..Hα-helixtrans-63.6-38.7175.7-69.6-62.3-13.700111.7H525 K526 I532 G533H525-Q529 PolarHBondContact CE1-NE2 3.46Å; H525-Q529 VanDerWaalsContact CE1-NE2 3.29Å; H525-Q529 PolarHBondContact NE2-NE2 2.87Å; H525-Q529 VanDerWaalsContact O-CG 3.32Å; H525-Q529 WeakPolarHBondContact O-CG 3.47Å; H525-Q529 PolarHBondContact O-N 3.08Å; K526-Q529 PolarHBondContact O-N 3.16Å; Q529-I532 PolarHBondContact O-N 3.39Å; Q529-G533 PolarHBondContact O-N 3.12Å
530I94.6Very high89Confident103 Ų103105 Ų10553%0.52848%0.479SS..Hα-helixtrans-62.4-47.1173.9-67.6165.3000110.3K526 E527 T528 G533 Q534K526-I530 WeakPolarHBondContact O-CG1 3.29Å; K526-I530 PolarHBondContact O-N 3.46Å; E527-I530 PolarHBondContact O-N 2.91Å; T528-I530 VanDerWaalsContact C-N 3.32Å; T528-I530 PolarHBondContact O-N 3.34Å; I530-G533 WeakPolarHBondContact O-CA 3.47Å; I530-G533 PolarHBondContact O-N 3.3Å; I530-G533 VanDerWaalsContact O-N 3.17Å; I530-Q534 WeakPolarHBondContact O-CG 3.31Å; I530-Q534 PolarHBondContact O-N 2.83Å
531K95.8Very high89.4Confident113 Ų113103.7 Ų103.749%0.49148%0.478SS..Hα-helixtrans-62.5-40.9177-73.6179.1-177171.30112.7E527 T528 G533 Q534 Y535E527-K531 WeakPolarHBondContact O-CG 3.32Å; E527-K531 PolarHBondContact O-N 3.48Å; E527-K531 WeakPolarHBondContact OE1-CE 3.34Å; E527-K531 IonicContact OE1-NZ 3.74Å; E527-K531 PolarHBondContact OE1-NZ 2.7Å; T528-K531 PolarHBondContact O-N 3.1Å; K531-G533 VanDerWaalsContact C-N 3.32Å; K531-G533 PolarHBondContact O-N 3.4Å; K531-Q534 PolarHBondContact O-N 3.1Å; K531-Y535 WeakPolarHBondContact O-CB 3.26Å; K531-Y535 PolarHBondContact O-N 2.87Å
532I92.4Very high89.8Confident67 Ų67103.8 Ų103.834%0.34448%0.479SS..Hα-helixtrans-63.2-42.1173.7-70.7168.2000110.3T528 Q529 Y535 R536T528-I532 HydrophobicContact CG2-CD1 3.92Å; T528-I532 HydrophobicContact CG2-CG1 4.4Å; T528-I532 WeakPolarHBondContact O-CB 3.36Å; T528-I532 VanDerWaalsContact O-CG1 3.29Å; T528-I532 WeakPolarHBondContact O-CG1 3.24Å; T528-I532 PolarHBondContact O-N 2.98Å; Q529-I532 PolarHBondContact O-N 3.39Å; I532-Y535 PolarHBondContact O-N 2.94Å; I532-R536 WeakPolarHBondContact O-CG 3.29Å; I532-R536 PolarHBondContact O-N 3.32Å
533G92.4Very high90Very high20 Ų20100.4 Ų100.421%0.20647%0.468CS..Hα-helixtrans-59.7-44.5174.600000112.3Q529 I530 K531 R536 R537Q529-G533 PolarHBondContact O-N 3.12Å; I530-G533 WeakPolarHBondContact O-CA 3.47Å; I530-G533 PolarHBondContact O-N 3.3Å; I530-G533 VanDerWaalsContact O-N 3.17Å; K531-G533 VanDerWaalsContact C-N 3.32Å; K531-G533 PolarHBondContact O-N 3.4Å; G533-R536 PolarHBondContact O-N 3.22Å; G533-R537 WeakPolarHBondContact O-CG 3.32Å; G533-R537 PolarHBondContact O-N 3.05Å; G533-R537 PolarHBondContact O-NH1 3.2Å
534Q93.4Very high89.9Confident95 Ų9599.5 Ų99.544%0.44446%0.462SS..Hα-helixtrans-60.8-52.2173.6-72.4170.4-18.200111.3I530 K531 R536 R537 D538I530-Q534 WeakPolarHBondContact O-CG 3.31Å; I530-Q534 PolarHBondContact O-N 2.83Å; K531-Q534 PolarHBondContact O-N 3.1Å; Q534-R536 VanDerWaalsContact C-N 3.28Å; Q534-R536 PolarHBondContact O-N 3.2Å; Q534-R537 WeakPolarHBondContact O-CA 3.01Å; Q534-R537 WeakPolarHBondContact O-CB 3.45Å; Q534-R537 PolarHBondContact O-N 3.25Å; Q534-D538 PolarHBondContact O-N 2.97Å
535Y93.6Very high90Very high145 Ų145103.7 Ų103.757%0.56948%0.477SS*.Hα-helixtrans-54.4-41.7176.8174.1-97000112.6K531 I532 R537 D538 Y539K531-Y535 WeakPolarHBondContact O-CB 3.26Å; K531-Y535 PolarHBondContact O-N 2.87Å; I532-Y535 PolarHBondContact O-N 2.94Å; Y535-R537 VanDerWaalsContact C-N 3.34Å; Y535-R537 PolarHBondContact O-N 3.38Å; Y535-D538 PolarHBondContact O-N 3.47Å; Y535-Y539 HydrophobicContact CE1-CD2 4.42Å; Y535-Y539 AromaticContact CZ-CD2 4Å; Y535-Y539 WeakPolarHBondContact O-CB 3.19Å; Y535-Y539 PolarHBondContact O-N 2.94Å
536R88.7Confident89.9Confident181 Ų181101.4 Ų101.468%0.68347%0.473SS*.Hα-helixtrans-64.8-37.8177.8-74.3177.2179.6-1611.6112.4I532 G533 Q534 R540I532-R536 WeakPolarHBondContact O-CG 3.29Å; I532-R536 PolarHBondContact O-N 3.32Å; G533-R536 PolarHBondContact O-N 3.22Å; Q534-R536 VanDerWaalsContact C-N 3.28Å; Q534-R536 PolarHBondContact O-N 3.2Å; R536-R540 PolarHBondContact O-N 2.9Å
537R84.6Confident89.7Confident162 Ų162101.6 Ų101.661%0.61148%0.476SS*.Hα-helixtrans-66.9-47.4174.1-66.1-176.5-155.498.1-3.3110.4G533 Q534 Y535 Y539 R540 V541G533-R537 WeakPolarHBondContact O-CG 3.32Å; G533-R537 PolarHBondContact O-N 3.05Å; G533-R537 PolarHBondContact O-NH1 3.2Å; Q534-R537 WeakPolarHBondContact O-CA 3.01Å; Q534-R537 WeakPolarHBondContact O-CB 3.45Å; Q534-R537 PolarHBondContact O-N 3.25Å; Y535-R537 VanDerWaalsContact C-N 3.34Å; Y535-R537 PolarHBondContact O-N 3.38Å; R537-Y539 PolarHBondContact O-N 3.36Å; R537-R540 WeakPolarHBondContact O-CB 3.21Å; R537-R540 PolarHBondContact O-N 3.19Å; R537-V541 WeakPolarHBondContact O-CG2 3.44Å; R537-V541 PolarHBondContact O-N 3.41Å
538D91.9Very high89.3Confident90 Ų90101.1 Ų101.148%0.48148%0.479SS..Hα-helixtrans-65.2-40.7-179.7-65.2-20.9000111.9Q534 Y535 R540 V541 N542Q534-D538 PolarHBondContact O-N 2.97Å; Y535-D538 PolarHBondContact O-N 3.47Å; D538-R540 VanDerWaalsContact C-N 3.32Å; D538-R540 PolarHBondContact O-N 2.86Å; D538-V541 PolarHBondContact O-N 3.34Å; D538-N542 VanDerWaalsContact O-CB 3.23Å; D538-N542 WeakPolarHBondContact O-CB 3.3Å; D538-N542 PolarHBondContact O-N 3.5Å; D538-N542 PolarHBondContact O-ND2 2.87Å
539Y88.2Confident89Confident138 Ų138106.8 Ų106.854%0.54149%0.494SS..Hα-helixtrans-59.9-42.8175-177.1-89.8000111.1Y535 R537 N542 S543Y535-Y539 HydrophobicContact CE1-CD2 4.42Å; Y535-Y539 AromaticContact CZ-CD2 4Å; Y535-Y539 WeakPolarHBondContact O-CB 3.19Å; Y535-Y539 PolarHBondContact O-N 2.94Å; R537-Y539 PolarHBondContact O-N 3.36Å; Y539-N542 PolarHBondContact O-N 2.88Å; Y539-S543 WeakPolarHBondContact O-CB 3.32Å; Y539-S543 PolarHBondContact O-N 3.32Å
540R82.5Confident88.4Confident182 Ų182108 Ų10869%0.68750%0.499SS*.Hα-helixtrans-63-44.9175.7-178.2178.9161.197.1-0.2111.1R536 R537 D538 S543 I544R536-R540 PolarHBondContact O-N 2.9Å; R537-R540 WeakPolarHBondContact O-CB 3.21Å; R537-R540 PolarHBondContact O-N 3.19Å; D538-R540 VanDerWaalsContact C-N 3.32Å; D538-R540 PolarHBondContact O-N 2.86Å; R540-S543 PolarHBondContact O-N 3.43Å; R540-I544 HydrophobicContact CG-CD1 4.38Å; R540-I544 WeakPolarHBondContact O-CG1 3.47Å; R540-I544 PolarHBondContact O-N 2.86Å; R540-I544 VanDerWaalsContact O-N 3.11Å
541V88.9Confident87.6Confident69 Ų69107.7 Ų107.742%0.41850%0.502SS..Hα-helixtrans-64.5-44.5177.2173.30000111.4R537 D538 I544 K545R537-V541 WeakPolarHBondContact O-CG2 3.44Å; R537-V541 PolarHBondContact O-N 3.41Å; D538-V541 PolarHBondContact O-N 3.34Å; V541-I544 PolarHBondContact O-N 2.9Å; V541-K545 HydrophobicContact CG1-CD 4.22Å; V541-K545 WeakPolarHBondContact O-CG 3.48Å; V541-K545 PolarHBondContact O-N 3.23Å
542N89.4Confident86.9Confident91 Ų91105.7 Ų105.749%0.48750%0.499SS..Hα-helixtrans-68.8-34.7179.4-72.1-21.7000112.2D538 Y539 K545 S546D538-N542 VanDerWaalsContact O-CB 3.23Å; D538-N542 WeakPolarHBondContact O-CB 3.3Å; D538-N542 PolarHBondContact O-N 3.5Å; D538-N542 PolarHBondContact O-ND2 2.87Å; Y539-N542 PolarHBondContact O-N 2.88Å; N542-K545 PolarHBondContact O-N 2.83Å; N542-S546 VanDerWaalsContact O-CB 3.29Å; N542-S546 WeakPolarHBondContact O-CB 3.21Å; N542-S546 PolarHBondContact O-N 3Å
543S86.3Confident86.4Confident46 Ų46106.9 Ų106.932%0.32251%0.506SS..Hα-helixtrans-63.2-44.9172.5178.70000110.9Y539 R540 S546 Q547Y539-S543 WeakPolarHBondContact O-CB 3.32Å; Y539-S543 PolarHBondContact O-N 3.32Å; R540-S543 PolarHBondContact O-N 3.43Å; S543-S546 PolarHBondContact O-N 2.79Å; S543-Q547 WeakPolarHBondContact O-CG 3.47Å; S543-Q547 PolarHBondContact O-N 3.31Å
544I85.2Confident85.2Confident82 Ų82109.7 Ų109.742%0.42152%0.519SS..Hα-helixtrans-61.6-49.3173.8-66.5165.5000110.1R540 V541 S546 Q547 T548R540-I544 HydrophobicContact CG-CD1 4.38Å; R540-I544 WeakPolarHBondContact O-CG1 3.47Å; R540-I544 PolarHBondContact O-N 2.86Å; R540-I544 VanDerWaalsContact O-N 3.11Å; V541-I544 PolarHBondContact O-N 2.9Å; I544-S546 VanDerWaalsContact C-N 3.28Å; I544-S546 PolarHBondContact O-N 3.02Å; I544-Q547 WeakPolarHBondContact O-CB 3.34Å; I544-Q547 PolarHBondContact O-N 2.99Å; I544-Q547 VanDerWaalsContact O-N 3.11Å; I544-T548 PolarHBondContact O-N 2.95Å; I544-T548 PolarHBondContact O-OG1 3.15Å
545K88.4Confident84.3Confident131 Ų131113.3 Ų113.357%0.5753%0.529SS*.Hα-helixtrans-57.2-39.8176.4-73.5176.2179177.60112.5V541 N542 T548 R549V541-K545 HydrophobicContact CG1-CD 4.22Å; V541-K545 WeakPolarHBondContact O-CG 3.48Å; V541-K545 PolarHBondContact O-N 3.23Å; N542-K545 PolarHBondContact O-N 2.83Å; K545-T548 PolarHBondContact O-N 3.34Å; K545-R549 WeakPolarHBondContact O-CB 3.43Å; K545-R549 PolarHBondContact O-N 3.08Å
546S85.3Confident83.5Confident62 Ų62112 Ų11243%0.43453%0.53SS..Hα-helixtrans-66.8-40.3176.9-172.80000111.8N542 S543 I544 R549 Q550N542-S546 VanDerWaalsContact O-CB 3.29Å; N542-S546 WeakPolarHBondContact O-CB 3.21Å; N542-S546 PolarHBondContact O-N 3Å; S543-S546 PolarHBondContact O-N 2.79Å; I544-S546 VanDerWaalsContact C-N 3.28Å; I544-S546 PolarHBondContact O-N 3.02Å; S546-R549 PolarHBondContact O-N 2.94Å; S546-Q550 WeakPolarHBondContact O-CG 3.37Å; S546-Q550 PolarHBondContact O-N 3.18Å
547Q84.9Confident82.7Confident109 Ų109109.9 Ų109.951%0.50953%0.525SS..Hα-helixtrans-63.7-45.3173.1-72.9173.5-21.200110.8S543 I544 R549 Q550 V551S543-Q547 WeakPolarHBondContact O-CG 3.47Å; S543-Q547 PolarHBondContact O-N 3.31Å; I544-Q547 WeakPolarHBondContact O-CB 3.34Å; I544-Q547 PolarHBondContact O-N 2.99Å; I544-Q547 VanDerWaalsContact O-N 3.11Å; Q547-R549 VanDerWaalsContact C-N 3.34Å; Q547-R549 PolarHBondContact O-N 3.37Å; Q547-Q550 PolarHBondContact O-N 2.92Å; Q547-V551 WeakPolarHBondContact O-CG2 3.5Å; Q547-V551 PolarHBondContact O-N 3.14Å
548T84.6Confident81.9Confident81 Ų81106.9 Ų106.950%0.49752%0.52SS..Hα-helixtrans-59-45.4175.1-48.80000111I544 K545 Q550 V551 T552I544-T548 PolarHBondContact O-N 2.95Å; I544-T548 PolarHBondContact O-OG1 3.15Å; K545-T548 PolarHBondContact O-N 3.34Å; T548-Q550 PolarHBondContact O-N 3.33Å; T548-V551 PolarHBondContact O-N 2.96Å; T548-T552 PolarHBondContact O-N 2.95Å; T548-T552 PolarHBondContact O-OG1 2.87Å
549R84.8Confident80.9Confident178 Ų178106.1 Ų106.167%0.67252%0.516SS*.Hα-helixtrans-60.1-43.1175.4-176.4-177.7177.5-168.80.2112K545 S546 Q547 T552 L553K545-R549 WeakPolarHBondContact O-CB 3.43Å; K545-R549 PolarHBondContact O-N 3.08Å; S546-R549 PolarHBondContact O-N 2.94Å; Q547-R549 VanDerWaalsContact C-N 3.34Å; Q547-R549 PolarHBondContact O-N 3.37Å; R549-T552 PolarHBondContact O-N 3.03Å; R549-L553 HydrophobicContact CG-CD1 4.26Å; R549-L553 WeakPolarHBondContact O-CB 3.17Å; R549-L553 WeakPolarHBondContact O-CG 3.44Å; R549-L553 PolarHBondContact O-N 2.74Å
550Q80.3Confident79.9Confident123 Ų123101.4 Ų101.458%0.57551%0.506SS*.Hα-helixtrans-62-45.1175.8-79.9-179.9-17.200111.6S546 Q547 T548 T552 L553 T554S546-Q550 WeakPolarHBondContact O-CG 3.37Å; S546-Q550 PolarHBondContact O-N 3.18Å; Q547-Q550 PolarHBondContact O-N 2.92Å; T548-Q550 PolarHBondContact O-N 3.33Å; Q550-T552 VanDerWaalsContact C-N 3.32Å; Q550-T552 PolarHBondContact O-N 3.12Å; Q550-L553 PolarHBondContact O-N 3.43Å; Q550-T554 PolarHBondContact O-N 2.8Å; Q550-T554 PolarHBondContact O-OG1 3.3Å
551V77.1Confident79Confident96 Ų9696 Ų9658%0.58249%0.49SS*.Hα-helixtrans-59.8-43.3175.61720000111Q547 T548 T554 R555Q547-V551 WeakPolarHBondContact O-CG2 3.5Å; Q547-V551 PolarHBondContact O-N 3.14Å; T548-V551 PolarHBondContact O-N 2.96Å; V551-T554 VanDerWaalsContact CA-OG1 3.26Å; V551-T554 WeakPolarHBondContact CA-OG1 3.39Å; V551-T554 PolarHBondContact O-N 3.31Å; V551-T554 PolarHBondContact O-OG1 3.31Å; V551-R555 WeakPolarHBondContact O-CB 3.49Å; V551-R555 PolarHBondContact O-N 3.43Å
552T81.4Confident77.6Confident71 Ų7197.3 Ų97.344%0.43649%0.494SS..Hα-helixtrans-62-45.4174.7-54.20000111.6T548 R549 Q550 R555 M556T548-T552 PolarHBondContact O-N 2.95Å; T548-T552 PolarHBondContact O-OG1 2.87Å; R549-T552 PolarHBondContact O-N 3.03Å; Q550-T552 VanDerWaalsContact C-N 3.32Å; Q550-T552 PolarHBondContact O-N 3.12Å; T552-R555 PolarHBondContact O-N 3.22Å; T552-M556 HydrophobicContact CG2-CG 4.47Å; T552-M556 HydrophobicContact CG2-SD 4.21Å; T552-M556 VanDerWaalsContact O-CG 3.29Å; T552-M556 WeakPolarHBondContact O-CG 3.4Å; T552-M556 PolarHBondContact O-N 2.93Å
553L82.4Confident76.2Confident93 Ų9398 Ų9849%0.48750%0.498SS..Hα-helixtrans-63.7-40.9177.4-73.7171.7000112.4R549 Q550 R555 M556 K557R549-L553 HydrophobicContact CG-CD1 4.26Å; R549-L553 WeakPolarHBondContact O-CB 3.17Å; R549-L553 WeakPolarHBondContact O-CG 3.44Å; R549-L553 PolarHBondContact O-N 2.74Å; Q550-L553 PolarHBondContact O-N 3.43Å; L553-R555 VanDerWaalsContact C-N 3.34Å; L553-M556 PolarHBondContact O-N 3.26Å; L553-K557 WeakPolarHBondContact O-CB 3.49Å; L553-K557 PolarHBondContact O-N 2.88Å
554T67.5Low74.9Confident78 Ų78100.8 Ų100.848%0.47951%0.508SS..Hα-helixtrans-65.2-39.2174.741.30000111.7Q550 V551 K557 I558Q550-T554 PolarHBondContact O-N 2.8Å; Q550-T554 PolarHBondContact O-OG1 3.3Å; V551-T554 VanDerWaalsContact CA-OG1 3.26Å; V551-T554 WeakPolarHBondContact CA-OG1 3.39Å; V551-T554 PolarHBondContact O-N 3.31Å; V551-T554 PolarHBondContact O-OG1 3.31Å; T554-K557 PolarHBondContact O-N 2.93Å; T554-I558 WeakPolarHBondContact O-CD1 3.47Å; T554-I558 VanDerWaalsContact O-CG1 3.25Å; T554-I558 WeakPolarHBondContact O-CG1 3.36Å; T554-I558 PolarHBondContact O-N 3.47Å
555R74.8Confident73.5Confident172 Ų172102.9 Ų102.965%0.64952%0.52SS*.Hα-helixtrans-64.1-47.7175-179.5171.9171.7174.4-0.7111.3V551 T552 L553 K557 I558 D559V551-R555 WeakPolarHBondContact O-CB 3.49Å; V551-R555 PolarHBondContact O-N 3.43Å; T552-R555 PolarHBondContact O-N 3.22Å; L553-R555 VanDerWaalsContact C-N 3.34Å; R555-K557 PolarHBondContact O-N 3.39Å; R555-I558 PolarHBondContact O-N 3.47Å; R555-I558 VanDerWaalsContact O-N 3.12Å; R555-D559 VanDerWaalsContact O-CG 3.25Å; R555-D559 PolarHBondContact O-N 2.82Å
556M76.7Confident71.8Confident118 Ų118100.5 Ų100.558%0.58151%0.511SS*.Hα-helixtrans-58.3-37.8174.8-70.4175.87800112.2T552 L553 A560T552-M556 HydrophobicContact CG2-CG 4.47Å; T552-M556 HydrophobicContact CG2-SD 4.21Å; T552-M556 VanDerWaalsContact O-CG 3.29Å; T552-M556 WeakPolarHBondContact O-CG 3.4Å; T552-M556 PolarHBondContact O-N 2.93Å; L553-M556 PolarHBondContact O-N 3.26Å; M556-A560 VanDerWaalsContact O-CB 3.29Å; M556-A560 WeakPolarHBondContact O-CB 3.39Å; M556-A560 PolarHBondContact O-N 3.22Å
557K71.9Confident69.8Low136 Ų136104.8 Ų104.859%0.59152%0.522SS*.Hα-helixtrans-66.5-44.2175.4-172.9179.8177.6-175.40111.7L553 T554 R555 A560 D561L553-K557 WeakPolarHBondContact O-CB 3.49Å; L553-K557 PolarHBondContact O-N 2.88Å; T554-K557 PolarHBondContact O-N 2.93Å; R555-K557 PolarHBondContact O-N 3.39Å; K557-A560 PolarHBondContact O-N 3.41Å; K557-D561 WeakPolarHBondContact O-CB 2.76Å; K557-D561 PolarHBondContact O-N 3.49Å
558I67.1Low67.9Low99 Ų99104.4 Ų104.451%0.50853%0.528SS..Hα-helixtrans-61.7-45.6175.9-69.4162.6000110.5T554 R555 A560 D561 L562T554-I558 WeakPolarHBondContact O-CD1 3.47Å; T554-I558 VanDerWaalsContact O-CG1 3.25Å; T554-I558 WeakPolarHBondContact O-CG1 3.36Å; T554-I558 PolarHBondContact O-N 3.47Å; R555-I558 PolarHBondContact O-N 3.47Å; R555-I558 VanDerWaalsContact O-N 3.12Å; I558-A560 VanDerWaalsContact C-N 3.32Å; I558-A560 PolarHBondContact O-N 3.17Å; I558-D561 PolarHBondContact O-N 3.01Å; I558-L562 HydrophobicContact CG2-CD1 4.08Å; I558-L562 WeakPolarHBondContact O-CB 3.37Å; I558-L562 PolarHBondContact O-N 3.31Å
559D70.3Confident66.1Low74 Ų74107.2 Ų107.240%0.39654%0.535SS..Hα-helixtrans-62.6-39.9177.4-64.3-18.3000110.7R555 L562 L563R555-D559 VanDerWaalsContact O-CG 3.25Å; R555-D559 PolarHBondContact O-N 2.82Å; D559-L562 WeakPolarHBondContact O-CB 3.47Å; D559-L562 PolarHBondContact O-N 3.2Å; D559-L563 VanDerWaalsContact O-CG 3.23Å; D559-L563 WeakPolarHBondContact O-CG 3.39Å; D559-L563 PolarHBondContact O-N 3.4Å
560A68.6Low64.1Low39 Ų39107 Ų10732%0.32254%0.542SS..Hα-helixtrans-67.8-40.9174.600000112.9M556 K557 I558 L562 L563 L564M556-A560 VanDerWaalsContact O-CB 3.29Å; M556-A560 WeakPolarHBondContact O-CB 3.39Å; M556-A560 PolarHBondContact O-N 3.22Å; K557-A560 PolarHBondContact O-N 3.41Å; I558-A560 VanDerWaalsContact C-N 3.32Å; I558-A560 PolarHBondContact O-N 3.17Å; A560-L562 VanDerWaalsContact C-N 3.32Å; A560-L563 PolarHBondContact O-N 2.92Å; A560-L564 WeakPolarHBondContact O-CB 3.46Å; A560-L564 VanDerWaalsContact O-CG 3.26Å; A560-L564 WeakPolarHBondContact O-CG 3.3Å; A560-L564 PolarHBondContact O-N 3.37Å
561D62.3Low62.3Low67 Ų67107.9 Ų107.936%0.35855%0.551SS.*Hα-helixtrans-65-37.4175.6-75.7-17.7000110.6K557 I558 L564 N565K557-D561 WeakPolarHBondContact O-CB 2.76Å; K557-D561 PolarHBondContact O-N 3.49Å; I558-D561 PolarHBondContact O-N 3.01Å; D561-L564 PolarHBondContact O-N 2.94Å; D561-N565 WeakPolarHBondContact O-CB 3.19Å; D561-N565 VanDerWaalsContact O-CG 3.24Å; D561-N565 PolarHBondContact O-N 3.14Å; D561-N565 PolarHBondContact O-ND2 3.06Å
562L60.9Low60.7Low97 Ų97110.8 Ų110.851%0.50856%0.555SS.*Hα-helixtrans-61.4-48171-96.4151.4000111.4I558 D559 A560 L564 E566I558-L562 HydrophobicContact CG2-CD1 4.08Å; I558-L562 WeakPolarHBondContact O-CB 3.37Å; I558-L562 PolarHBondContact O-N 3.31Å; D559-L562 WeakPolarHBondContact O-CB 3.47Å; D559-L562 PolarHBondContact O-N 3.2Å; A560-L562 VanDerWaalsContact C-N 3.32Å; L562-L564 VanDerWaalsContact C-N 3.25Å; L562-L564 PolarHBondContact O-N 3.43Å; L562-E566 PolarHBondContact O-N 3.35Å
563L58.7Low58.8Low106 Ų106116.1 Ų116.156%0.55558%0.575SS**Hα-helixtrans-63.5-29.6177.1-71169.2000113.2D559 A560 L586D559-L563 VanDerWaalsContact O-CG 3.23Å; D559-L563 WeakPolarHBondContact O-CG 3.39Å; D559-L563 PolarHBondContact O-N 3.4Å; A560-L563 PolarHBondContact O-N 2.92Å; L563-L586 HydrophobicContact CD2-CD1 4.05Å
564L59.1Low56.7Low104 Ų104119.1 Ų119.155%0.54559%0.591SS.*Hα-helixtrans-92.4-29.3-178.2-73.1168.8000113.7A560 D561 L562 F567A560-L564 WeakPolarHBondContact O-CB 3.46Å; A560-L564 VanDerWaalsContact O-CG 3.26Å; A560-L564 WeakPolarHBondContact O-CG 3.3Å; A560-L564 PolarHBondContact O-N 3.37Å; D561-L564 PolarHBondContact O-N 2.94Å; L562-L564 VanDerWaalsContact C-N 3.25Å; L562-L564 PolarHBondContact O-N 3.43Å; L564-F567 WeakPolarHBondContact O-CD2 3.27Å; L564-F567 VanDerWaalsContact O-CE2 3.3Å; L564-F567 WeakPolarHBondContact O-CE2 3.42Å
565N57.3Low55.2Low126 Ų126125 Ų12567%0.67461%0.61SS**Hα-helixtrans-91.3-2.7-175.2-70.1-27.7000113.6D561 F567D561-N565 WeakPolarHBondContact O-CB 3.19Å; D561-N565 VanDerWaalsContact O-CG 3.24Å; D561-N565 PolarHBondContact O-N 3.14Å; D561-N565 PolarHBondContact O-ND2 3.06Å; N565-F567 PolarHBondContact O-N 2.79Å
566E50.8Low53.5Low82 Ų82123.2 Ų123.238%0.38361%0.613SS.*  trans-78.137.3168.9-75.2-175.5166.300112.9L562 T585L562-E566 PolarHBondContact O-N 3.35Å; E566-T585 PolarHBondContact OE2-OG1 3.35Å
567F43.8Very low51.6Low151 Ų151126.9 Ų126.966%0.66263%0.629SS**  trans-9099.1161.3-70.4-69.7000108.2L564 N565 E569L564-F567 WeakPolarHBondContact O-CD2 3.27Å; L564-F567 VanDerWaalsContact O-CE2 3.3Å; L564-F567 WeakPolarHBondContact O-CE2 3.42Å; N565-F567 PolarHBondContact O-N 2.79Å; F567-E569 PolarHBondContact O-N 2.82Å
568T46Very low50Low102 Ų102127.3 Ų127.363%0.62664%0.636SS**  trans-61.3129.2174.938.10000111E570T568-E570 PolarHBondContact O-N 3.43Å
569E45.7Very low48.6Very low140 Ų140132.5 Ų132.565%0.65466%0.655SS**G310 helixtrans-611.7179.5-87.7-80142.300115F567 D571 K572F567-E569 PolarHBondContact O-N 2.82Å; E569-D571 PolarHBondContact O-N 2.92Å; E569-K572 IonicContact OE1-NZ 2.75Å; E569-K572 PolarHBondContact OE1-NZ 3.16Å; E569-K572 IonicContact OE2-NZ 2.69Å; E569-K572 PolarHBondContact OE2-NZ 3.46Å
570E44.2Very low47.1Very low172 Ų172136 Ų13680%0.80467%0.673SS**G310 helixtrans-74.7-10.5-178.1-64.3-168.8167.400113.9T568 K572T568-E570 PolarHBondContact O-N 3.43Å; E570-K572 VanDerWaalsContact C-N 3.35Å; E570-K572 PolarHBondContact O-N 3.33Å
571D42Very low45.9Very low143 Ų143143 Ų14377%0.76570%0.696SS**G310 helixtrans-83.1-0.4-176.2-81.5-9.9000115.4E569 Q573E569-D571 PolarHBondContact O-N 2.92Å; D571-Q573 PolarHBondContact O-N 3.49Å
572K43.7Very low45Very low157 Ų157149.6 Ų149.668%0.68372%0.722SS**G310 helixtrans-75-8.2177.8-78-179.8-169.2141.90114.3E569 E570E569-K572 IonicContact OE1-NZ 2.75Å; E569-K572 PolarHBondContact OE1-NZ 3.16Å; E569-K572 IonicContact OE2-NZ 2.69Å; E569-K572 PolarHBondContact OE2-NZ 3.46Å; E570-K572 VanDerWaalsContact C-N 3.35Å; E570-K572 PolarHBondContact O-N 3.33Å
573Q41.8Very low44.2Very low182 Ų182148 Ų14885%0.8572%0.717SS**SBendtrans-121.7-3.3-171.4-68.1-164.3-7.900118.2D571D571-Q573 PolarHBondContact O-N 3.49Å
574L38.1Very low43.7Very low157 Ų157145.5 Ų145.582%0.82271%0.705SS**  trans-111.372.8177.8-131.274.1000113.2N576L574-N576 PolarHBondContact O-N 2.88Å; L574-N576 VanDerWaalsContact O-N 3.12Å
575K35.5Very low43.1Very low200 Ų200144 Ų14487%0.8770%0.701SS**  trans-61.6103.5148-74.1176.9177.6177.10106.5
576N39.8Very low42.5Very low135 Ų135141.9 Ų141.972%0.72269%0.689SS**SBendtrans177.392.3144.6-83.1-14.5000110.9L574 I578L574-N576 PolarHBondContact O-N 2.88Å; L574-N576 VanDerWaalsContact O-N 3.12Å; N576-I578 PolarHBondContact O-N 3.28Å
577E35.1Very low42.4Very low196 Ų196141.6 Ų141.692%0.91669%0.69SS**  trans54.15.5137.2-70.6-168.1153.800124.2
578I38.6Very low42.8Very low145 Ų145139.1 Ų139.174%0.74468%0.681SS**  trans-99118170.1-55.4179.1000109.4N576 L580N576-I578 PolarHBondContact O-N 3.28Å; I578-L580 HydrophobicContact CG2-CD1 4.44Å; I578-L580 PolarHBondContact O-N 2.86Å
579K39.1Very low43.1Very low207 Ų207139.5 Ų139.590%0.968%0.678SS**  trans-53.275.6172.7-73.9173.4174.4171.80111K581K579-K581 PolarHBondContact O-N 3.22Å
580L38Very low43.3Very low149 Ų149135.9 Ų135.978%0.7867%0.665SS**  trans-73.9111.3167-111.385.4000107.2I578 K582I578-L580 HydrophobicContact CG2-CD1 4.44Å; I578-L580 PolarHBondContact O-N 2.86Å; L580-K582 PolarHBondContact O-N 3.4Å
581K44.1Very low43.7Very low185 Ų185131.3 Ų131.380%0.80465%0.646SS**  trans-52.2113.8162.8-76.8175.6173.7177.90106.6K579 T583K579-K581 PolarHBondContact O-N 3.22Å; K581-T583 PolarHBondContact O-N 3.45Å
582K42.8Very low44.3Very low205 Ų205130.8 Ų130.889%0.89164%0.637SS**  trans-61.898174.5-66.3-179.6175.8-173.60108.5L580L580-K582 PolarHBondContact O-N 3.4Å
583T43.5Very low44.6Very low65 Ų65130.1 Ų130.140%0.39964%0.636SS.*  trans-116.1127171.348.40000108K581K581-T583 PolarHBondContact O-N 3.45Å
584T47.7Very low45.1Very low52 Ų52126.5 Ų126.532%0.31962%0.621SS.*  trans-66.9152.8171.648.20000109.3L586 N587 E588T584-L586 PolarHBondContact O-N 3.19Å; T584-N587 WeakPolarHBondContact O-CA 3.46Å; T584-N587 WeakPolarHBondContact O-CB 3.47Å; T584-N587 PolarHBondContact O-N 3.41Å; T584-N587 PolarHBondContact OG1-N 3.02Å; T584-E588 PolarHBondContact O-N 3.28Å; T584-E588 VanDerWaalsContact O-N 3.13Å
585T48.3Very low45.7Very low74 Ų74126.5 Ų126.545%0.45462%0.617SS.*Hα-helixtrans-49.3-32.4171.938.60000112.2E566 E588 I589E566-T585 PolarHBondContact OE2-OG1 3.35Å; T585-E588 PolarHBondContact O-N 3.42Å; T585-I589 WeakPolarHBondContact O-CG1 3.18Å; T585-I589 PolarHBondContact O-N 2.93Å
586L44.9Very low46.4Very low80 Ų80123.1 Ų123.142%0.41961%0.609SS.*Hα-helixtrans-70.6-36.6175.7-137.8146.4000113.1L563 T584 E588 I589 V590L563-L586 HydrophobicContact CD2-CD1 4.05Å; T584-L586 PolarHBondContact O-N 3.19Å; L586-E588 VanDerWaalsContact C-N 3.35Å; L586-I589 PolarHBondContact O-N 3.07Å; L586-V590 HydrophobicContact CD2-CG2 4.3Å; L586-V590 VanDerWaalsContact O-CG2 3.28Å; L586-V590 WeakPolarHBondContact O-CG2 3.42Å; L586-V590 PolarHBondContact O-N 3.25Å
587N48.8Very low46.6Very low77 Ų77120.1 Ų120.141%0.41260%0.598SS.*Hα-helixtrans-64.5-40170.3-94.61.8000111T584 I589 V590 D591T584-N587 WeakPolarHBondContact O-CA 3.46Å; T584-N587 WeakPolarHBondContact O-CB 3.47Å; T584-N587 PolarHBondContact O-N 3.41Å; T584-N587 PolarHBondContact OG1-N 3.02Å; N587-I589 VanDerWaalsContact C-N 3.32Å; N587-I589 PolarHBondContact O-N 3.22Å; N587-V590 PolarHBondContact O-N 2.95Å; N587-D591 WeakPolarHBondContact O-CB 3.23Å; N587-D591 VanDerWaalsContact O-CG 3.24Å; N587-D591 PolarHBondContact O-N 3.2Å
588E50.4Low47.1Very low99 Ų99118.3 Ų118.346%0.46360%0.595SS.*Hα-helixtrans-63.5-37.5176.2-66.3-173.6166.800112.5T584 T585 L586 K592T584-E588 PolarHBondContact O-N 3.28Å; T584-E588 VanDerWaalsContact O-N 3.13Å; T585-E588 PolarHBondContact O-N 3.42Å; L586-E588 VanDerWaalsContact C-N 3.35Å; E588-K592 VanDerWaalsContact O-CB 3.29Å; E588-K592 WeakPolarHBondContact O-CB 3.38Å; E588-K592 WeakPolarHBondContact O-CG 3.25Å; E588-K592 PolarHBondContact O-N 2.9Å
589I52.5Low47.4Very low110 Ų110118.5 Ų118.556%0.56460%0.596SS**Hα-helixtrans-67.7-41.9175.6-67.5165.2000110.6T585 L586 N587 H593T585-I589 WeakPolarHBondContact O-CG1 3.18Å; T585-I589 PolarHBondContact O-N 2.93Å; L586-I589 PolarHBondContact O-N 3.07Å; N587-I589 VanDerWaalsContact C-N 3.32Å; N587-I589 PolarHBondContact O-N 3.22Å; I589-H593 WeakPolarHBondContact O-CB 3.47Å; I589-H593 PolarHBondContact O-N 3.4Å
590V51.1Low47.6Very low63 Ų63115.2 Ų115.238%0.38259%0.594SS.*Hα-helixtrans-65.7-44.4176.9170.80000111L586 N587 H593 I594L586-V590 HydrophobicContact CD2-CG2 4.3Å; L586-V590 VanDerWaalsContact O-CG2 3.28Å; L586-V590 WeakPolarHBondContact O-CG2 3.42Å; L586-V590 PolarHBondContact O-N 3.25Å; N587-V590 PolarHBondContact O-N 2.95Å; V590-H593 PolarHBondContact O-N 3.46Å; V590-I594 HydrophobicContact CG1-CD1 3.9Å; V590-I594 HydrophobicContact CG1-CG1 4.47Å; V590-I594 WeakPolarHBondContact O-CG1 3.41Å; V590-I594 PolarHBondContact O-N 3.28Å
591D52.8Low47.8Very low76 Ų76115.4 Ų115.441%0.40660%0.596SS.*Hα-helixtrans-63.5-45177.6-72-21.4000110.8N587 H593 I594 E595N587-D591 WeakPolarHBondContact O-CB 3.23Å; N587-D591 VanDerWaalsContact O-CG 3.24Å; N587-D591 PolarHBondContact O-N 3.2Å; D591-H593 PolarHBondContact O-N 2.91Å; D591-I594 PolarHBondContact O-N 3.43Å; D591-E595 WeakPolarHBondContact O-CG 3.47Å; D591-E595 PolarHBondContact O-N 2.87Å
592K54.7Low47.5Very low133 Ų133110.6 Ų110.658%0.57859%0.59SS**Hα-helixtrans-57.8-32.9171-83.5178.4178.2169.10112.6E588 N596E588-K592 VanDerWaalsContact O-CB 3.29Å; E588-K592 WeakPolarHBondContact O-CB 3.38Å; E588-K592 WeakPolarHBondContact O-CG 3.25Å; E588-K592 PolarHBondContact O-N 2.9Å; K592-N596 WeakPolarHBondContact O-CB 3.44Å; K592-N596 PolarHBondContact O-N 3.15Å; K592-N596 PolarHBondContact O-ND2 3.26Å
593H49.5Very low47.2Very low142 Ų142110.9 Ų110.966%0.65759%0.592SS**Hα-helixtrans-78.2-35.7179.6-133.2-9.1000112.3I589 V590 D591 N596 S597I589-H593 WeakPolarHBondContact O-CB 3.47Å; I589-H593 PolarHBondContact O-N 3.4Å; V590-H593 PolarHBondContact O-N 3.46Å; D591-H593 PolarHBondContact O-N 2.91Å; H593-N596 PolarHBondContact O-N 3.47Å; H593-S597 PolarHBondContact O-N 2.91Å; H593-S597 PolarHBondContact O-OG 2.78Å
594I51.9Low47.1Very low107 Ų107111.6 Ų111.655%0.54960%0.6SS.*Hα-helixtrans-63.5-46.1173.1-68.1166.6000109.7V590 D591 N596 S597V590-I594 HydrophobicContact CG1-CD1 3.9Å; V590-I594 HydrophobicContact CG1-CG1 4.47Å; V590-I594 WeakPolarHBondContact O-CG1 3.41Å; V590-I594 PolarHBondContact O-N 3.28Å; D591-I594 PolarHBondContact O-N 3.43Å; I594-N596 VanDerWaalsContact C-N 3.27Å; I594-N596 PolarHBondContact O-N 3.04Å; I594-S597 PolarHBondContact O-N 3.29Å; I594-S597 PolarHBondContact O-OG 2.79Å; I594-S597 VanDerWaalsContact O-OG 3.04Å
595E50.1Low46.6Very low156 Ų156117.9 Ų117.973%0.72963%0.625SS**Hα-helixtrans-62.4-31.3178.5-74.7-178.2170.400113.1D591D591-E595 WeakPolarHBondContact O-CG 3.47Å; D591-E595 PolarHBondContact O-N 2.87Å
596N50.5Low45.8Very low130 Ų130123.5 Ų123.570%0.69564%0.644SS**THydrogen-bonded Turntrans-87.5-1.4179.9-74.4-46.8000114.2K592 H593 I594K592-N596 WeakPolarHBondContact O-CB 3.44Å; K592-N596 PolarHBondContact O-N 3.15Å; K592-N596 PolarHBondContact O-ND2 3.26Å; H593-N596 PolarHBondContact O-N 3.47Å; I594-N596 VanDerWaalsContact C-N 3.27Å; I594-N596 PolarHBondContact O-N 3.04Å
597S44Very low45.3Very low71 Ų71124.4 Ų124.450%0.49765%0.653SS.*  trans-10489.2-179.163.40000111.8H593 I594 L599H593-S597 PolarHBondContact O-N 2.91Å; H593-S597 PolarHBondContact O-OG 2.78Å; I594-S597 PolarHBondContact O-N 3.29Å; I594-S597 PolarHBondContact O-OG 2.79Å; I594-S597 VanDerWaalsContact O-OG 3.04Å; S597-L599 PolarHBondContact O-N 3.47Å
598D46Very low44.7Very low158 Ų158126.3 Ų126.385%0.84567%0.671SS**  trans-66.124.6175.8-82.8-30.5000115.1
599L43.7Very low44.1Very low149 Ų149130.4 Ų130.478%0.7868%0.682SS**  trans-109.5101.7-178-81.4153.5000110.4S597 N601S597-L599 PolarHBondContact O-N 3.47Å; L599-N601 PolarHBondContact O-N 2.77Å
600T43.7Very low43.7Very low138 Ų138130 Ų13085%0.84769%0.685SS**  trans-51.921.4177.341.70000117.5
601N42.4Very low43.3Very low154 Ų154134 Ų13482%0.82470%0.699SS**  trans-107.660.4176.9-81.3-22.2000112.1L599 F603L599-N601 PolarHBondContact O-N 2.77Å; N601-F603 PolarHBondContact O-N 3.11Å
602A37.7Very low43Very low83 Ų83133.7 Ų133.769%0.68670%0.701SS**  trans-90.165.9172.400000112
603F37.3Very low42.5Very low211 Ų211133.6 Ų133.693%0.92571%0.706SS**  trans-149.972.4168.3-75.7-73.5000112.8N601N601-F603 PolarHBondContact O-N 3.11Å
604S40.4Very low42.3Very low81 Ų81129.7 Ų129.757%0.56670%0.699SS**  trans-162.375.4158.5178.80000110F606 T607S604-F606 PolarHBondContact O-N 2.67Å; S604-F606 VanDerWaalsContact O-N 3.08Å; S604-T607 PolarHBondContact OG-OG1 3.12Å
605Q36.7Very low42.1Very low183 Ų183133.1 Ų133.186%0.85571%0.705SS**THydrogen-bonded Turntrans-68.53.4-179.6-83176.9-24.200114.9
606F33.3Very low42.3Very low192 Ų192130.8 Ų130.884%0.84270%0.697SS**THydrogen-bonded Turntrans-132.39.9-171.1-69.2-71.1000117S604 C608S604-F606 PolarHBondContact O-N 2.67Å; S604-F606 VanDerWaalsContact O-N 3.08Å; F606-C608 PolarHBondContact O-N 3.45Å
607T34.4Very low42.5Very low99 Ų99127.1 Ų127.161%0.60769%0.685SS**  trans-102.479.8171.251.80000110.7S604 R609S604-T607 PolarHBondContact OG-OG1 3.12Å; T607-R609 PolarHBondContact O-N 3.16Å
608C35.8Very low43.1Very low118 Ų118130.5 Ų130.580%0.79769%0.692SS**  trans-6372161.4-177.90000109.3F606F606-C608 PolarHBondContact O-N 3.45Å
609R37.6Very low43.9Very low185 Ų185128 Ų12870%0.69868%0.677SS**  trans-86107.1159.9-75.2-175.7166.6175.3-2.5104T607 Q611 P612T607-R609 PolarHBondContact O-N 3.16Å; R609-Q611 PolarHBondContact O-N 3.05Å; R609-P612 HydrophobicContact CB-CG 4.16Å; R609-P612 WeakPolarHBondContact O-CD 3.43Å; R609-P612 WeakPolarHBondContact O-CG 3.41Å
610V43.4Very low44.8Very low101 Ų101126.8 Ų126.861%0.61267%0.668SS**  trans-75.4-7164.7179.60000110.4P612 L613 A614V610-P612 VanDerWaalsContact C-CD 3.4Å; V610-L613 PolarHBondContact O-N 3.5Å; V610-A614 PolarHBondContact O-N 3.35Å
611Q43.7Very low45.5Very low148 Ų148125.5 Ų125.569%0.69265%0.652SS**Hα-helixtrans-62.4-32.6174.5-86.9-179.8-31.800115.9R609 R615R609-Q611 PolarHBondContact O-N 3.05Å; Q611-R615 WeakPolarHBondContact O-CB 3.48Å; Q611-R615 PolarHBondContact O-N 3.41Å
612P45.2Very low46.2Very low68 Ų68123.9 Ų123.944%0.44264%0.639SS.*Hα-helixtrans-67.1-42174.5-13.829.6000110.9R609 V610 R615 L616R609-P612 HydrophobicContact CB-CG 4.16Å; R609-P612 WeakPolarHBondContact O-CD 3.43Å; R609-P612 WeakPolarHBondContact O-CG 3.41Å; V610-P612 VanDerWaalsContact C-CD 3.4Å; P612-R615 CarbonylContact O-C 3.59Å; P612-R615 PolarHBondContact O-N 3.25Å; P612-L616 WeakPolarHBondContact O-CA 3.27Å; P612-L616 WeakPolarHBondContact O-CB 3.3Å; P612-L616 WeakPolarHBondContact O-CG 3.46Å; P612-L616 PolarHBondContact O-N 3.32Å
613L45.8Very low47.1Very low132 Ų132123.6 Ų123.669%0.69163%0.626SS**Hα-helixtrans-72-41.2-176.7-149.779.8000112.1V610 R615 L616 A617V610-L613 PolarHBondContact O-N 3.5Å; L613-R615 VanDerWaalsContact C-N 3.33Å; L613-L616 PolarHBondContact O-N 2.89Å; L613-A617 VanDerWaalsContact O-CB 3.27Å; L613-A617 WeakPolarHBondContact O-CB 3.42Å; L613-A617 PolarHBondContact O-N 2.95Å
614A45.5Very low47.7Very low60 Ų60120.7 Ų120.750%0.49661%0.609SS.*Hα-helixtrans-66.6-36.817400000111.8V610 Q618V610-A614 PolarHBondContact O-N 3.35Å; A614-Q618 WeakPolarHBondContact O-CB 3.27Å; A614-Q618 PolarHBondContact O-N 3.45Å
615R47.6Very low48.2Very low179 Ų179121 Ų12168%0.67560%0.602SS**Hα-helixtrans-72.2-36.6175.8-166.3175.6-163.9158.63.2111.7Q611 P612 L613 Q618 M619Q611-R615 WeakPolarHBondContact O-CB 3.48Å; Q611-R615 PolarHBondContact O-N 3.41Å; P612-R615 CarbonylContact O-C 3.59Å; P612-R615 PolarHBondContact O-N 3.25Å; L613-R615 VanDerWaalsContact C-N 3.33Å; R615-Q618 PolarHBondContact O-N 2.73Å; R615-M619 HydrophobicContact CG-CG 4.46Å; R615-M619 HydrophobicContact CG-SD 4.12Å; R615-M619 VanDerWaalsContact O-CB 3.24Å; R615-M619 WeakPolarHBondContact O-CB 3.5Å; R615-M619 WeakPolarHBondContact O-CG 3.45Å; R615-M619 PolarHBondContact O-N 3.25Å
616L53.5Low48.7Very low106 Ų106114.8 Ų114.856%0.55558%0.577SS**Hα-helixtrans-64.7-48.9171.7-87.2161.9000110.1P612 L613 Q618 M619 E620P612-L616 WeakPolarHBondContact O-CA 3.27Å; P612-L616 WeakPolarHBondContact O-CB 3.3Å; P612-L616 WeakPolarHBondContact O-CG 3.46Å; P612-L616 PolarHBondContact O-N 3.32Å; L613-L616 PolarHBondContact O-N 2.89Å; L616-Q618 VanDerWaalsContact C-N 3.28Å; L616-Q618 PolarHBondContact O-N 3.44Å; L616-M619 CarbonylContact O-C 3.39Å; L616-M619 PolarHBondContact O-N 3.29Å; L616-E620 WeakPolarHBondContact O-CB 3.43Å; L616-E620 PolarHBondContact O-N 2.75Å
617A53.7Low49.4Very low54 Ų54115 Ų11545%0.44657%0.572SS.*Hα-helixtrans-60.8-37.8175.500000111.9L613 H621L613-A617 VanDerWaalsContact O-CB 3.27Å; L613-A617 WeakPolarHBondContact O-CB 3.42Å; L613-A617 PolarHBondContact O-N 2.95Å; A617-H621 WeakPolarHBondContact O-CB 3.42Å; A617-H621 PolarHBondContact O-N 2.93Å
618Q56.5Low50.1Low141 Ų141115 Ų11566%0.65957%0.566SS**Hα-helixtrans-71.2-40175.9-170178.65.400112.2A614 R615 L616 H622A614-Q618 WeakPolarHBondContact O-CB 3.27Å; A614-Q618 PolarHBondContact O-N 3.45Å; R615-Q618 PolarHBondContact O-N 2.73Å; L616-Q618 VanDerWaalsContact C-N 3.28Å; L616-Q618 PolarHBondContact O-N 3.44Å; Q618-H622 VanDerWaalsContact O-CB 3.24Å; Q618-H622 WeakPolarHBondContact O-CB 3.44Å; Q618-H622 PolarHBondContact O-N 3.48Å
619M62.8Low50.5Low107 Ų107115.3 Ų115.353%0.52756%0.56SS.*Hα-helixtrans-68.7-41.5175.6-75.9176.37600110.9R615 L616 H622 D623R615-M619 HydrophobicContact CG-CG 4.46Å; R615-M619 HydrophobicContact CG-SD 4.12Å; R615-M619 VanDerWaalsContact O-CB 3.24Å; R615-M619 WeakPolarHBondContact O-CB 3.5Å; R615-M619 WeakPolarHBondContact O-CG 3.45Å; R615-M619 PolarHBondContact O-N 3.25Å; L616-M619 CarbonylContact O-C 3.39Å; L616-M619 PolarHBondContact O-N 3.29Å; M619-H622 CarbonylContact O-C 3.59Å; M619-H622 PolarHBondContact O-N 3.1Å; M619-D623 VanDerWaalsContact O-CB 3.25Å; M619-D623 WeakPolarHBondContact O-CB 3.46Å; M619-D623 PolarHBondContact O-N 3.1Å
620E64.5Low50.9Low123 Ų123113.3 Ų113.358%0.57556%0.562SS**Hα-helixtrans-69.1-37176.9-165-176.4-154.700111.1L616 R624L616-E620 WeakPolarHBondContact O-CB 3.43Å; L616-E620 PolarHBondContact O-N 2.75Å; E620-R624 VanDerWaalsContact O-CB 3.23Å; E620-R624 WeakPolarHBondContact O-CB 3.47Å; E620-R624 PolarHBondContact O-N 3.01Å
621H57.8Low51.2Low111 Ų111115 Ų11551%0.51457%0.568SS.*Hα-helixtrans-66.4-42.7170.2-175.774.9000111.6A617 R624 M625A617-H621 WeakPolarHBondContact O-CB 3.42Å; A617-H621 PolarHBondContact O-N 2.93Å; H621-R624 PolarHBondContact O-N 3.31Å; H621-M625 WeakPolarHBondContact NE2-CE 3.35Å; H621-M625 WeakPolarHBondContact O-CB 3.45Å; H621-M625 WeakPolarHBondContact O-CG 3.48Å; H621-M625 PolarHBondContact O-N 2.85Å
622H56.4Low51.6Low119 Ų119115.6 Ų115.655%0.55157%0.568SS**Hα-helixtrans-63.2-46.8175.3-17573.7000111Q618 M619 R624 M625 T626Q618-H622 VanDerWaalsContact O-CB 3.24Å; Q618-H622 WeakPolarHBondContact O-CB 3.44Å; Q618-H622 PolarHBondContact O-N 3.48Å; M619-H622 CarbonylContact O-C 3.59Å; M619-H622 PolarHBondContact O-N 3.1Å; H622-R624 PolarHBondContact O-N 2.9Å; H622-M625 CarbonylContact O-C 3.51Å; H622-M625 WeakPolarHBondContact O-CA 3Å; H622-M625 WeakPolarHBondContact O-CB 3.37Å; H622-M625 PolarHBondContact O-N 2.85Å; H622-M625 VanDerWaalsContact O-N 3.11Å; H622-T626 PolarHBondContact O-N 3.46Å; H622-T626 PolarHBondContact O-OG1 3.44Å
623D56.8Low52Low78 Ų78114.4 Ų114.442%0.41756%0.562SS.*Hα-helixtrans-62.7-41.2177.1-82.9-5.8000111.2M619 T626 R627M619-D623 VanDerWaalsContact O-CB 3.25Å; M619-D623 WeakPolarHBondContact O-CB 3.46Å; M619-D623 PolarHBondContact O-N 3.1Å; D623-T626 WeakPolarHBondContact CA-OG1 3.37Å; D623-T626 PolarHBondContact O-N 3.1Å; D623-T626 PolarHBondContact O-OG1 3.1Å; D623-T626 VanDerWaalsContact O-OG1 3.04Å; D623-R627 WeakPolarHBondContact O-CB 3.43Å; D623-R627 WeakPolarHBondContact O-CG 3.29Å; D623-R627 PolarHBondContact O-N 3.1Å
624R51Low52.6Low150 Ų150114.8 Ų114.857%0.56655%0.554SS**Hα-helixtrans-59.9-47.6170-94.2-178165.2160.1-3.6111E620 H621 H622 T626 R627 M628E620-R624 VanDerWaalsContact O-CB 3.23Å; E620-R624 WeakPolarHBondContact O-CB 3.47Å; E620-R624 PolarHBondContact O-N 3.01Å; H621-R624 PolarHBondContact O-N 3.31Å; H622-R624 PolarHBondContact O-N 2.9Å; R624-T626 PolarHBondContact O-N 2.93Å; R624-R627 PolarHBondContact O-N 3.46Å; R624-M628 VanDerWaalsContact O-CB 3.25Å; R624-M628 WeakPolarHBondContact O-CB 3.22Å; R624-M628 WeakPolarHBondContact O-CG 3.44Å; R624-M628 PolarHBondContact O-N 2.86Å
625M49.3Very low53.1Low88 Ų88118.2 Ų118.243%0.43356%0.555SS.*Hα-helixtrans-63.9-38.4178.6-74.1-66.4-155.900112.1H621 H622 N629H621-M625 WeakPolarHBondContact NE2-CE 3.35Å; H621-M625 WeakPolarHBondContact O-CB 3.45Å; H621-M625 WeakPolarHBondContact O-CG 3.48Å; H621-M625 PolarHBondContact O-N 2.85Å; H622-M625 CarbonylContact O-C 3.51Å; H622-M625 WeakPolarHBondContact O-CA 3Å; H622-M625 WeakPolarHBondContact O-CB 3.37Å; H622-M625 PolarHBondContact O-N 2.85Å; H622-M625 VanDerWaalsContact O-N 3.11Å; M625-N629 WeakPolarHBondContact O-CB 3.45Å; M625-N629 VanDerWaalsContact O-CG 3.22Å; M625-N629 PolarHBondContact O-N 2.61Å; M625-N629 PolarHBondContact O-ND2 2.91Å
626T47.3Very low54Low52 Ų52113.9 Ų113.932%0.31955%0.545SS..Hα-helixtrans-74.4-37.717643.30000112.7H622 D623 R624 M628 N629 L630H622-T626 PolarHBondContact O-N 3.46Å; H622-T626 PolarHBondContact O-OG1 3.44Å; D623-T626 WeakPolarHBondContact CA-OG1 3.37Å; D623-T626 PolarHBondContact O-N 3.1Å; D623-T626 PolarHBondContact O-OG1 3.1Å; D623-T626 VanDerWaalsContact O-OG1 3.04Å; R624-T626 PolarHBondContact O-N 2.93Å; T626-M628 VanDerWaalsContact C-N 3.33Å; T626-N629 PolarHBondContact O-N 3.36Å; T626-L630 PolarHBondContact O-N 2.98Å
627R48.2Very low54.5Low195 Ų195112.8 Ų112.874%0.73654%0.539SS*.Hα-helixtrans-63.6-40.6172-76.7177.2-176177.44.1110.7D623 R624 L630D623-R627 WeakPolarHBondContact O-CB 3.43Å; D623-R627 WeakPolarHBondContact O-CG 3.29Å; D623-R627 PolarHBondContact O-N 3.1Å; R624-R627 PolarHBondContact O-N 3.46Å; R627-L630 PolarHBondContact O-N 2.82Å
628M49.5Very low55.2Low99 Ų99111.6 Ų111.649%0.48852%0.523SS..Hα-helixtrans-66.6-35.3173.5-75.2177.517800112.4R624 T626 L630R624-M628 VanDerWaalsContact O-CB 3.25Å; R624-M628 WeakPolarHBondContact O-CB 3.22Å; R624-M628 WeakPolarHBondContact O-CG 3.44Å; R624-M628 PolarHBondContact O-N 2.86Å; T626-M628 VanDerWaalsContact C-N 3.33Å; M628-L630 VanDerWaalsContact C-N 3.26Å; M628-L630 PolarHBondContact O-N 3.43Å
629N45.1Very low56.1Low126 Ų126107.3 Ų107.367%0.67450%0.504SS*.Hα-helixtrans-70.1-20.9177-80.8-22000113.5M625 T626M625-N629 WeakPolarHBondContact O-CB 3.45Å; M625-N629 VanDerWaalsContact O-CG 3.22Å; M625-N629 PolarHBondContact O-N 2.61Å; M625-N629 PolarHBondContact O-ND2 2.91Å; T626-N629 PolarHBondContact O-N 3.36Å
630L46.1Very low56.7Low142 Ų142106.8 Ų106.874%0.74350%0.503SS*.THydrogen-bonded Turntrans-83.2-12.8180-81.8165.8000114.4T626 R627 M628T626-L630 PolarHBondContact O-N 2.98Å; R627-L630 PolarHBondContact O-N 2.82Å; M628-L630 VanDerWaalsContact C-N 3.26Å; M628-L630 PolarHBondContact O-N 3.43Å
631N49.1Very low57.2Low138 Ų138103.8 Ų103.874%0.73849%0.489SS*.SBendtrans-145.993.4173.7-85.8-33.8000111.1
632K52.1Low58.1Low159 Ų159102.8 Ų102.869%0.69148%0.481SS*.  trans50.5103.3168.1-59.9-179.9-178.3-178.70114.1W634K632-W634 PolarHBondContact O-N 2.92Å
633S53Low59.1Low44 Ų44103.2 Ų103.231%0.30848%0.478SS..  trans-39.4139.7175.853.70000112.7W635 N636 I637S633-W635 PolarHBondContact O-N 2.87Å; S633-N636 WeakPolarHBondContact O-CA 3.31Å; S633-N636 WeakPolarHBondContact O-CB 3.46Å; S633-N636 PolarHBondContact O-N 3.08Å; S633-N636 PolarHBondContact OG-ND2 2.92Å; S633-I637 PolarHBondContact O-N 3.24Å
634W59.5Low60.3Low139 Ų139105.5 Ų105.553%0.52748%0.484SS..Hα-helixtrans-49.6-33.7177.582.7-80.5000112.1K632 N636 I637 F638 F692K632-W634 PolarHBondContact O-N 2.92Å; W634-N636 VanDerWaalsContact C-N 3.33Å; W634-N636 PolarHBondContact O-N 3.27Å; W634-I637 PolarHBondContact O-N 3.23Å; W634-F638 HydrophobicContact CE3-CB 4.25Å; W634-F638 HydrophobicContact CZ3-CB 4.39Å; W634-F638 HydrophobicContact CZ3-CD2 4.38Å; W634-F638 HydrophobicContact CZ3-CG 4.32Å; W634-F638 WeakPolarHBondContact O-CB 3.21Å; W634-F638 PolarHBondContact O-N 3.44Å; W634-F692 HydrophobicContact CE3-CE1 4.34Å
635W55.1Low61.5Low133 Ų133100.8 Ų100.850%0.50447%0.468SS..Hα-helixtrans-62.7-37.4175.7-130.988.7000112.2S633 M639S633-W635 PolarHBondContact O-N 2.87Å; W635-M639 HydrophobicContact CD2-CG 4.18Å; W635-M639 HydrophobicContact CE3-CG 3.22Å; W635-M639 HydrophobicContact CE3-SD 3.93Å; W635-M639 HydrophobicContact CH2-CE 4.09Å; W635-M639 HydrophobicContact CH2-CG 4.08Å; W635-M639 HydrophobicContact CH2-SD 3.61Å; W635-M639 HydrophobicContact CZ3-CE 3.65Å; W635-M639 HydrophobicContact CZ3-CG 3.19Å; W635-M639 HydrophobicContact CZ3-SD 3.28Å; W635-M639 WeakPolarHBondContact CZ3-SD 3.5Å; W635-M639 WeakPolarHBondContact O-CB 3.42Å; W635-M639 WeakPolarHBondContact O-CG 3.25Å; W635-M639 PolarHBondContact O-N 3.45Å
636N65.9Low62.7Low88 Ų88100.5 Ų100.547%0.47147%0.465SS..Hα-helixtrans-70.1-41.9174.2-73-14000111.8S633 W634 M639 D640S633-N636 WeakPolarHBondContact O-CA 3.31Å; S633-N636 WeakPolarHBondContact O-CB 3.46Å; S633-N636 PolarHBondContact O-N 3.08Å; S633-N636 PolarHBondContact OG-ND2 2.92Å; W634-N636 VanDerWaalsContact C-N 3.33Å; W634-N636 PolarHBondContact O-N 3.27Å; N636-M639 PolarHBondContact O-N 3.39Å; N636-D640 WeakPolarHBondContact O-CB 3.37Å; N636-D640 PolarHBondContact O-N 2.9Å
637I65.2Low64.3Low83 Ų83102.3 Ų102.343%0.42647%0.473SS..Hα-helixtrans-62.3-47.6175.9-61.5173.3000109.9S633 W634 M639 D640 E641S633-I637 PolarHBondContact O-N 3.24Å; W634-I637 PolarHBondContact O-N 3.23Å; I637-M639 VanDerWaalsContact C-N 3.34Å; I637-M639 PolarHBondContact O-N 3.01Å; I637-D640 PolarHBondContact O-N 3.31Å; I637-E641 WeakPolarHBondContact O-CB 3.31Å; I637-E641 PolarHBondContact O-N 3.37Å
638F68.7Low65.8Low28 Ų2897.9 Ų97.912%0.12346%0.461CS..Hα-helixtrans-57.4-44.8174.9177.6-99.6000111.8W634 W642 F682 L686W634-F638 HydrophobicContact CE3-CB 4.25Å; W634-F638 HydrophobicContact CZ3-CB 4.39Å; W634-F638 HydrophobicContact CZ3-CD2 4.38Å; W634-F638 HydrophobicContact CZ3-CG 4.32Å; W634-F638 WeakPolarHBondContact O-CB 3.21Å; W634-F638 PolarHBondContact O-N 3.44Å; F638-W642 HydrophobicContact CD1-CE3 4.22Å; F638-W642 AromaticContact CE1-CE3 3.34Å; F638-W642 HydrophobicContact CE1-CE3 3.34Å; F638-W642 AromaticContact CE1-CZ3 3.61Å; F638-W642 HydrophobicContact CE1-CZ3 3.61Å; F638-W642 AromaticContact CZ-CE3 3.6Å; F638-W642 HydrophobicContact CZ-CE3 3.6Å; F638-W642 AromaticContact CZ-CZ3 3.79Å; F638-W642 HydrophobicContact CZ-CZ3 3.79Å; F638-W642 WeakPolarHBondContact O-CB 3.3Å; F638-W642 PolarHBondContact O-N 3.37Å; F638-F682 AromaticContact CD2-CE1 3.95Å; F638-F682 HydrophobicContact CD2-CE1 3.95Å; F638-F682 AromaticContact CE2-CD1 3.99Å; F638-F682 HydrophobicContact CE2-CD1 3.99Å; F638-F682 AromaticContact CE2-CE1 3.49Å; F638-F682 HydrophobicContact CE2-CE1 3.49Å; F638-F682 VanDerWaalsContact CE2-CE1 3.49Å; F638-F682 HydrophobicContact CZ-CD1 4.32Å; F638-F682 AromaticContact CZ-CE1 3.96Å; F638-F682 HydrophobicContact CZ-CE1 3.96Å; F638-L686 HydrophobicContact CD2-CD1 3.46Å; F638-L686 VanDerWaalsContact CD2-CD1 3.46Å; F638-L686 HydrophobicContact CE2-CD1 3.56Å
639M74.1Confident67Low52 Ų5296.6 Ų96.626%0.25645%0.451SS..Hα-helixtrans-73.1-26.2178.8-71.3-62.2-79.700113.8W635 N636 I637 W642 R643W635-M639 HydrophobicContact CD2-CG 4.18Å; W635-M639 HydrophobicContact CE3-CG 3.22Å; W635-M639 HydrophobicContact CE3-SD 3.93Å; W635-M639 HydrophobicContact CH2-CE 4.09Å; W635-M639 HydrophobicContact CH2-CG 4.08Å; W635-M639 HydrophobicContact CH2-SD 3.61Å; W635-M639 HydrophobicContact CZ3-CE 3.65Å; W635-M639 HydrophobicContact CZ3-CG 3.19Å; W635-M639 HydrophobicContact CZ3-SD 3.28Å; W635-M639 WeakPolarHBondContact CZ3-SD 3.5Å; W635-M639 WeakPolarHBondContact O-CB 3.42Å; W635-M639 WeakPolarHBondContact O-CG 3.25Å; W635-M639 PolarHBondContact O-N 3.45Å; N636-M639 PolarHBondContact O-N 3.39Å; I637-M639 VanDerWaalsContact C-N 3.34Å; I637-M639 PolarHBondContact O-N 3.01Å; M639-W642 HydrophobicContact SD-CE3 4.38Å; M639-R643 WeakPolarHBondContact O-CB 3.43Å; M639-R643 WeakPolarHBondContact O-CG 3.4Å; M639-R643 PolarHBondContact O-N 2.92Å; M639-R643 VanDerWaalsContact O-N 3.08Å; M639-R643 PolarHBondContact O-NE 2.69Å
640D76Confident68.4Low95 Ų9594 Ų9451%0.50844%0.436SS..Hα-helixtrans-73.9-46.6172.3-113.321.3000111N636 I637 W642 R643 K644N636-D640 WeakPolarHBondContact O-CB 3.37Å; N636-D640 PolarHBondContact O-N 2.9Å; I637-D640 PolarHBondContact O-N 3.31Å; D640-W642 VanDerWaalsContact C-N 3.35Å; D640-R643 PolarHBondContact O-N 3.44Å; D640-K644 PolarHBondContact O-N 3.39Å
641E74.4Confident69.8Low61 Ų6193.6 Ų93.629%0.28543%0.43SS..Hα-helixtrans-63.5-40.9175.5-76.6-65.814600111.4I637 K644 K645 F682I637-E641 WeakPolarHBondContact O-CB 3.31Å; I637-E641 PolarHBondContact O-N 3.37Å; E641-K644 PolarHBondContact O-N 3.3Å; E641-K645 WeakPolarHBondContact O-CB 3.47Å; E641-K645 PolarHBondContact O-N 2.99Å; E641-F682 HydrophobicContact CB-CE2 4.41Å; E641-F682 HydrophobicContact CB-CZ 3.99Å
642W76.6Confident70.9Confident89 Ų8989.9 Ų89.934%0.33742%0.416SS..Hα-helixtrans-58.2-52.6172.1-174.9-37000110F638 M639 D640 K644 K645 Q646 F682F638-W642 HydrophobicContact CD1-CE3 4.22Å; F638-W642 AromaticContact CE1-CE3 3.34Å; F638-W642 HydrophobicContact CE1-CE3 3.34Å; F638-W642 AromaticContact CE1-CZ3 3.61Å; F638-W642 HydrophobicContact CE1-CZ3 3.61Å; F638-W642 AromaticContact CZ-CE3 3.6Å; F638-W642 HydrophobicContact CZ-CE3 3.6Å; F638-W642 AromaticContact CZ-CZ3 3.79Å; F638-W642 HydrophobicContact CZ-CZ3 3.79Å; F638-W642 WeakPolarHBondContact O-CB 3.3Å; F638-W642 PolarHBondContact O-N 3.37Å; M639-W642 HydrophobicContact SD-CE3 4.38Å; D640-W642 VanDerWaalsContact C-N 3.35Å; W642-K644 VanDerWaalsContact C-N 3.35Å; W642-K644 PolarHBondContact O-N 3.07Å; W642-K645 PolarHBondContact O-N 2.88Å; W642-K645 VanDerWaalsContact O-N 3.15Å; W642-Q646 WeakPolarHBondContact O-CB 3.3Å; W642-Q646 PolarHBondContact O-N 2.86Å; W642-F682 HydrophobicContact CB-CE1 4.05Å; W642-F682 HydrophobicContact CB-CZ 4.16Å
643R77.9Confident71.8Confident128 Ų12886.3 Ų86.348%0.48340%0.401SS..Hα-helixtrans-59.2-44.3-178.7-89.2-177.1-80.7-149.21.8112.4M639 D640 K645 Q646 D647M639-R643 WeakPolarHBondContact O-CB 3.43Å; M639-R643 WeakPolarHBondContact O-CG 3.4Å; M639-R643 PolarHBondContact O-N 2.92Å; M639-R643 VanDerWaalsContact O-N 3.08Å; M639-R643 PolarHBondContact O-NE 2.69Å; D640-R643 PolarHBondContact O-N 3.44Å; R643-K645 PolarHBondContact O-N 3.06Å; R643-Q646 PolarHBondContact O-N 3.27Å; R643-D647 PolarHBondContact O-N 2.76Å
644K81.5Confident72.6Confident127 Ų12789.2 Ų89.255%0.55241%0.413SS*.Hα-helixtrans-55.2-49.2173.2-89.2-176.2177.1175.50112.3D640 E641 W642 Q646 D647 E648D640-K644 PolarHBondContact O-N 3.39Å; E641-K644 PolarHBondContact O-N 3.3Å; W642-K644 VanDerWaalsContact C-N 3.35Å; W642-K644 PolarHBondContact O-N 3.07Å; K644-Q646 VanDerWaalsContact C-N 3.33Å; K644-Q646 PolarHBondContact O-N 3.49Å; K644-D647 PolarHBondContact O-N 3.46Å; K644-E648 WeakPolarHBondContact O-CG 3.43Å; K644-E648 PolarHBondContact O-N 3.18Å
645K76.4Confident73Confident51 Ų5189.9 Ų89.922%0.22242%0.42CS..Hα-helixtrans-65.2-37.5-179.5-81.4-75.5167.3-151.80112.7E641 W642 R643 E648 Y649 W677 F682E641-K645 WeakPolarHBondContact O-CB 3.47Å; E641-K645 PolarHBondContact O-N 2.99Å; W642-K645 PolarHBondContact O-N 2.88Å; W642-K645 VanDerWaalsContact O-N 3.15Å; R643-K645 PolarHBondContact O-N 3.06Å; K645-E648 IonicContact NZ-OE2 3.27Å; K645-E648 PolarHBondContact NZ-OE2 2.99Å; K645-Y649 WeakPolarHBondContact O-CB 3.41Å; K645-Y649 PolarHBondContact O-N 3.39Å; K645-W677 HydrophobicContact CB-CZ2 4.42Å; K645-F682 HydrophobicContact CG-CD2 4.27Å; K645-F682 HydrophobicContact CG-CE2 4.01Å
646Q75.8Confident73.2Confident82 Ų8287.3 Ų87.338%0.38342%0.419SS..Hα-helixtrans-64.8-43.3175.3-171.7-177.2-14.500111.3W642 R643 K644 Y649 I650W642-Q646 WeakPolarHBondContact O-CB 3.3Å; W642-Q646 PolarHBondContact O-N 2.86Å; R643-Q646 PolarHBondContact O-N 3.27Å; K644-Q646 VanDerWaalsContact C-N 3.33Å; K644-Q646 PolarHBondContact O-N 3.49Å; Q646-Y649 PolarHBondContact O-N 3.14Å; Q646-I650 HydrophobicContact CG-CD1 4.17Å; Q646-I650 VanDerWaalsContact O-CG1 3.3Å; Q646-I650 WeakPolarHBondContact O-CG1 3.44Å; Q646-I650 PolarHBondContact O-N 3.41Å
647D80.4Confident72.7Confident89 Ų8989.2 Ų89.248%0.47642%0.423SS..Hα-helixtrans-67-41.1177.4-71.1-21.6000111.7R643 K644 Y649 I650 Q651R643-D647 PolarHBondContact O-N 2.76Å; K644-D647 PolarHBondContact O-N 3.46Å; D647-Y649 VanDerWaalsContact C-N 3.32Å; D647-Y649 PolarHBondContact O-N 2.9Å; D647-I650 PolarHBondContact O-N 2.91Å; D647-Q651 WeakPolarHBondContact O-CB 3.27Å; D647-Q651 VanDerWaalsContact O-CG 3.31Å; D647-Q651 WeakPolarHBondContact O-CG 3.5Å; D647-Q651 PolarHBondContact O-N 3.27Å
648E79Confident72.2Confident103 Ų10388.7 Ų88.748%0.48143%0.427SS..Hα-helixtrans-56.8-44.9172.6-79.7178.1178.200111.7K644 K645 Q651 S652K644-E648 WeakPolarHBondContact O-CG 3.43Å; K644-E648 PolarHBondContact O-N 3.18Å; K645-E648 IonicContact NZ-OE2 3.27Å; K645-E648 PolarHBondContact NZ-OE2 2.99Å; E648-Q651 PolarHBondContact O-N 3.48Å; E648-S652 PolarHBondContact O-N 3.23Å
649Y74Confident71.6Confident71 Ų7192.8 Ų92.828%0.27845%0.45SS..Hα-helixtrans-65-44.7177.7175.1-96.4000112.1K645 Q646 D647 Q651 S652 H653 W677K645-Y649 WeakPolarHBondContact O-CB 3.41Å; K645-Y649 PolarHBondContact O-N 3.39Å; Q646-Y649 PolarHBondContact O-N 3.14Å; D647-Y649 VanDerWaalsContact C-N 3.32Å; D647-Y649 PolarHBondContact O-N 2.9Å; Y649-Q651 VanDerWaalsContact C-N 3.27Å; Y649-Q651 PolarHBondContact O-N 3.49Å; Y649-S652 PolarHBondContact O-N 3.32Å; Y649-S652 PolarHBondContact O-OG 3.36Å; Y649-S652 VanDerWaalsContact O-OG 3.06Å; Y649-H653 VanDerWaalsContact O-CB 3.3Å; Y649-H653 WeakPolarHBondContact O-CB 3.4Å; Y649-H653 PolarHBondContact O-N 2.91Å; Y649-W677 HydrophobicContact CD2-CB 4.1Å; Y649-W677 HydrophobicContact CE2-CB 4.38Å
650I74.8Confident70.6Confident73 Ų7395.4 Ų95.437%0.37447%0.465SS..Hα-helixtrans-61.4-40.5177.3-68.1165.7000110.1Q646 D647 H653 N654Q646-I650 HydrophobicContact CG-CD1 4.17Å; Q646-I650 VanDerWaalsContact O-CG1 3.3Å; Q646-I650 WeakPolarHBondContact O-CG1 3.44Å; Q646-I650 PolarHBondContact O-N 3.41Å; D647-I650 PolarHBondContact O-N 2.91Å; I650-H653 PolarHBondContact O-N 2.71Å; I650-N654 WeakPolarHBondContact O-CB 3.4Å; I650-N654 PolarHBondContact O-N 2.95Å; I650-N654 PolarHBondContact O-ND2 3.5Å
651Q76.1Confident69.4Low132 Ų13296.1 Ų96.162%0.61747%0.473SS*.Hα-helixtrans-66.2-43.1176.1-72.8177.818.200112.6D647 E648 Y649 H653 K655D647-Q651 WeakPolarHBondContact O-CB 3.27Å; D647-Q651 VanDerWaalsContact O-CG 3.31Å; D647-Q651 WeakPolarHBondContact O-CG 3.5Å; D647-Q651 PolarHBondContact O-N 3.27Å; E648-Q651 PolarHBondContact O-N 3.48Å; Y649-Q651 VanDerWaalsContact C-N 3.27Å; Y649-Q651 PolarHBondContact O-N 3.49Å; Q651-H653 VanDerWaalsContact C-N 3.34Å; Q651-K655 WeakPolarHBondContact O-CB 3.41Å; Q651-K655 PolarHBondContact O-N 3.21Å
652S72.7Confident68.3Low61 Ų61100.3 Ų100.343%0.42750%0.497SS..Hα-helixtrans-63.8-43.8176.8790000110.6E648 Y649 N654 K655 T656E648-S652 PolarHBondContact O-N 3.23Å; Y649-S652 PolarHBondContact O-N 3.32Å; Y649-S652 PolarHBondContact O-OG 3.36Å; Y649-S652 VanDerWaalsContact O-OG 3.06Å; S652-N654 PolarHBondContact O-N 3.43Å; S652-K655 WeakPolarHBondContact O-CB 3.36Å; S652-K655 PolarHBondContact O-N 2.98Å; S652-T656 PolarHBondContact O-N 3.43Å; S652-T656 PolarHBondContact O-OG1 2.95Å
653H70.3Confident66.8Low84 Ų84101 Ų10139%0.38951%0.511SS..Hα-helixtrans-65.3-41-178.9-161.726.5000112.1Y649 I650 Q651 T656 F657Y649-H653 VanDerWaalsContact O-CB 3.3Å; Y649-H653 WeakPolarHBondContact O-CB 3.4Å; Y649-H653 PolarHBondContact O-N 2.91Å; I650-H653 PolarHBondContact O-N 2.71Å; Q651-H653 VanDerWaalsContact C-N 3.34Å; H653-T656 PolarHBondContact O-N 3.36Å; H653-F657 AromaticContact CE1-CD2 3.93Å; H653-F657 AromaticContact CE1-CE2 3.81Å; H653-F657 PolarHBondContact O-N 3.25Å
654N70.9Confident65.1Low104 Ų104102.3 Ų102.356%0.55653%0.528SS*.Hα-helixtrans-66.4-36.5174-72.8-18.9000112.4I650 S652 F657 S658I650-N654 WeakPolarHBondContact O-CB 3.4Å; I650-N654 PolarHBondContact O-N 2.95Å; I650-N654 PolarHBondContact O-ND2 3.5Å; S652-N654 PolarHBondContact O-N 3.43Å; N654-F657 PolarHBondContact O-N 3.32Å; N654-S658 WeakPolarHBondContact O-CB 3.47Å; N654-S658 PolarHBondContact O-N 2.95Å
655K67Low63.2Low153 Ų153102.8 Ų102.867%0.66554%0.541SS*.Hα-helixtrans-63.3-48.1173.1-103.5-175.7174-1780111.7Q651 S652 F657 S658 D659Q651-K655 WeakPolarHBondContact O-CB 3.41Å; Q651-K655 PolarHBondContact O-N 3.21Å; S652-K655 WeakPolarHBondContact O-CB 3.36Å; S652-K655 PolarHBondContact O-N 2.98Å; K655-F657 PolarHBondContact O-N 2.92Å; K655-S658 PolarHBondContact O-N 3.01Å; K655-S658 VanDerWaalsContact O-N 3.09Å; K655-D659 PolarHBondContact O-N 3.49Å
656T60.2Low61.7Low79 Ų79106.1 Ų106.149%0.48557%0.566SS.*Hα-helixtrans-60.1-37.6177.6-40.70000111.2S652 H653 L660S652-T656 PolarHBondContact O-N 3.43Å; S652-T656 PolarHBondContact O-OG1 2.95Å; H653-T656 PolarHBondContact O-N 3.36Å; T656-L660 HydrophobicContact CG2-CD1 4.31Å; T656-L660 WeakPolarHBondContact O-CB 3.49Å; T656-L660 WeakPolarHBondContact O-CD1 3.35Å; T656-L660 VanDerWaalsContact O-CG 3.29Å; T656-L660 WeakPolarHBondContact O-CG 3.49Å; T656-L660 PolarHBondContact O-N 2.86Å; T656-L660 VanDerWaalsContact O-N 3.14Å
657F54.3Low60Low129 Ų129110.1 Ų110.157%0.56659%0.59SS**Hα-helixtrans-69-35.9174.7-108.4-82000113.6H653 N654 K655H653-F657 AromaticContact CE1-CD2 3.93Å; H653-F657 AromaticContact CE1-CE2 3.81Å; H653-F657 PolarHBondContact O-N 3.25Å; N654-F657 PolarHBondContact O-N 3.32Å; K655-F657 PolarHBondContact O-N 2.92Å
658S56.2Low58.1Low72 Ų72113.5 Ų113.550%0.50360%0.603SS.*Hα-helixtrans-69-35.9174.9-176.30000112.3N654 K655 L660 T661N654-S658 WeakPolarHBondContact O-CB 3.47Å; N654-S658 PolarHBondContact O-N 2.95Å; K655-S658 PolarHBondContact O-N 3.01Å; K655-S658 VanDerWaalsContact O-N 3.09Å; S658-L660 VanDerWaalsContact C-N 3.34Å; S658-T661 PolarHBondContact O-OG1 3.43Å
659D54.8Low56.4Low113 Ų113116.2 Ų116.260%0.60462%0.621SS**Hα-helixtrans-75.8-26.1178.9-67.5-20.2000111.5K655 T661K655-D659 PolarHBondContact O-N 3.49Å; D659-T661 VanDerWaalsContact C-N 3.32Å; D659-T661 PolarHBondContact O-N 3.14Å
660L52.9Low54.9Low108 Ų108118.4 Ų118.457%0.56564%0.641SS**G310 helixtrans-74.8-15.6176.1-79.2163.8000114T656 S658 D662T656-L660 HydrophobicContact CG2-CD1 4.31Å; T656-L660 WeakPolarHBondContact O-CB 3.49Å; T656-L660 WeakPolarHBondContact O-CD1 3.35Å; T656-L660 VanDerWaalsContact O-CG 3.29Å; T656-L660 WeakPolarHBondContact O-CG 3.49Å; T656-L660 PolarHBondContact O-N 2.86Å; T656-L660 VanDerWaalsContact O-N 3.14Å; S658-L660 VanDerWaalsContact C-N 3.34Å; L660-D662 VanDerWaalsContact C-N 3.26Å; L660-D662 PolarHBondContact O-N 3.31Å
661T51.9Low53.4Low110 Ų110120.9 Ų120.968%0.67566%0.655SS**G310 helixtrans-76.1-11.6175.347.40000114S658 D659S658-T661 PolarHBondContact O-OG1 3.43Å; D659-T661 VanDerWaalsContact C-N 3.32Å; D659-T661 PolarHBondContact O-N 3.14Å
662D49.7Very low51.9Low149 Ų149121.3 Ų121.380%0.79766%0.661SS**G310 helixtrans-107.96-177.1-84-14.1000115L660L660-D662 VanDerWaalsContact C-N 3.26Å; L660-D662 PolarHBondContact O-N 3.31Å
663T46.5Very low50.7Low104 Ų104125.4 Ų125.464%0.63868%0.679SS**SBendtrans-133.8125176.256.10000113.6
664D42.2Very low49.6Very low154 Ų154128.3 Ų128.382%0.82470%0.697SS**  trans-47138.1-172.2-77.9-48.8000116.7T666D664-T666 PolarHBondContact O-N 2.89Å; D664-T666 VanDerWaalsContact O-N 3.09Å
665V40.6Very low48.6Very low137 Ų137128.1 Ų128.183%0.8370%0.696SS**  trans-19.597.9157.2-173.30000114.3
666T45.7Very low47.9Very low122 Ų122124.7 Ų124.775%0.74869%0.691SS**  trans-139.1117147.243.60000110.4D664 Q668D664-T666 PolarHBondContact O-N 2.89Å; D664-T666 VanDerWaalsContact O-N 3.09Å; T666-Q668 PolarHBondContact O-N 2.68Å
667N40.8Very low47.8Very low166 Ų166124 Ų12489%0.88868%0.679SS**  trans-55.593.3170.6-85.1-29.2000110.2
668Q40.6Very low47.9Very low159 Ų159122.5 Ų122.574%0.74368%0.677SS**  trans-113.2120.2155.5-71.3-171.4-7.100107.2T666 V670T666-Q668 PolarHBondContact O-N 2.68Å; Q668-V670 PolarHBondContact O-N 3.04Å
669N42Very low48Very low161 Ų161122 Ų12286%0.86167%0.672SS**  trans-58.983166.6-68.3-35.6000107.3D671N669-D671 PolarHBondContact O-N 3.31Å; N669-D671 VanDerWaalsContact O-N 3.12Å
670V43.1Very low48.3Very low116 Ų116122 Ų12270%0.70367%0.672SS**  trans-71.7107167.7-179.80000104.5Q668 N672Q668-V670 PolarHBondContact O-N 3.04Å; V670-N672 PolarHBondContact O-N 3.16Å; V670-N672 VanDerWaalsContact O-N 3.11Å
671D42.4Very low48.8Very low126 Ų126124.6 Ų124.667%0.67467%0.674SS**  trans-43.6120.1170.1-74.4-43.8000108.3N669 D673N669-D671 PolarHBondContact O-N 3.31Å; N669-D671 VanDerWaalsContact O-N 3.12Å; D671-D673 PolarHBondContact O-N 3.49Å
672N45.7Very low49.5Very low140 Ų140119.8 Ų119.875%0.74964%0.644SS**G310 helixtrans-64.319.5178.4-90.5-33.6000113.2V670 D674 L675V670-N672 PolarHBondContact O-N 3.16Å; V670-N672 VanDerWaalsContact O-N 3.11Å; N672-D674 VanDerWaalsContact C-N 3.28Å; N672-D674 PolarHBondContact O-N 3.01Å; N672-L675 WeakPolarHBondContact O-CD1 3.29Å
673D47.2Very low50.2Low147 Ų147116.5 Ų116.579%0.78663%0.626SS**G310 helixtrans-81.1-8.2-177.1-76-8.6000112.6D671 L675D671-D673 PolarHBondContact O-N 3.49Å; D673-L675 VanDerWaalsContact C-N 3.26Å; D673-L675 PolarHBondContact O-N 2.87Å
674D47.8Very low51.2Low146 Ų146116.4 Ų116.478%0.78162%0.618SS**G310 helixtrans-89.326.2176.6-120.66.6000113.8N672 S676N672-D674 VanDerWaalsContact C-N 3.28Å; N672-D674 PolarHBondContact O-N 3.01Å; D674-S676 PolarHBondContact O-N 3.37Å
675L49.4Very low52.3Low100 Ų100112.9 Ų112.952%0.52460%0.596SS.*  trans-68.973.4157.6-92.7102.1000109.1N672 D673 W677N672-L675 WeakPolarHBondContact O-CD1 3.29Å; D673-L675 VanDerWaalsContact C-N 3.26Å; D673-L675 PolarHBondContact O-N 2.87Å; L675-W677 PolarHBondContact O-N 3.16Å
676S52.9Low53.4Low81 Ų81107.2 Ų107.257%0.56656%0.561SS**  trans-64.8-5.4-177.452.60000114.4D674D674-S676 PolarHBondContact O-N 3.37Å
677W56.3Low54.2Low64 Ų64107.8 Ų107.824%0.24256%0.555CS.*  trans-12096.3177.6-165.378.1000112.6K645 Y649 L675K645-W677 HydrophobicContact CB-CZ2 4.42Å; Y649-W677 HydrophobicContact CD2-CB 4.1Å; Y649-W677 HydrophobicContact CE2-CB 4.38Å; L675-W677 PolarHBondContact O-N 3.16Å
678L58Low55.2Low98 Ų98108.9 Ų108.951%0.51355%0.547SS..  trans-101138.3166-85.5152.2000109.2D680 R681L678-D680 PolarHBondContact O-N 3.2Å; L678-R681 PolarHBondContact O-N 2.91Å
679P56.5Low55.9Low61 Ų61106.9 Ų106.940%0.39653%0.533SS..Hα-helixtrans-52.4-30.5177.4-27.534.5000114.2R681 F682P679-R681 VanDerWaalsContact C-N 3.34Å; P679-R681 PolarHBondContact O-N 3.3Å; P679-F682 WeakPolarHBondContact O-CB 3.47Å; P679-F682 PolarHBondContact O-N 3.29Å
680D61.8Low56.5Low114 Ų114104.8 Ų104.861%0.6152%0.522SS*.Hα-helixtrans-65.7-35.5-179.9-60.9-21.8000112L678 F682 I683 E684L678-D680 PolarHBondContact O-N 3.2Å; D680-F682 VanDerWaalsContact C-N 3.33Å; D680-F682 PolarHBondContact O-N 3.27Å; D680-I683 PolarHBondContact O-N 3.19Å; D680-E684 PolarHBondContact O-N 2.86Å
681R64.1Low57Low161 Ų161103.5 Ų103.561%0.60851%0.51SS*.Hα-helixtrans-68.7-30.4175.8-79.4-171.3180-176.51.9112.6L678 P679 I683 E684 E685L678-R681 PolarHBondContact O-N 2.91Å; P679-R681 VanDerWaalsContact C-N 3.34Å; P679-R681 PolarHBondContact O-N 3.3Å; R681-I683 VanDerWaalsContact C-N 3.31Å; R681-I683 PolarHBondContact O-N 3.3Å; R681-E684 PolarHBondContact O-N 3.42Å; R681-E685 WeakPolarHBondContact O-CB 3.5Å; R681-E685 PolarHBondContact O-N 2.93Å
682F67Low57.4Low10 Ų10103 Ų1034%0.04450%0.502CS..Hα-helixtrans-64.8-37.7177.7175.6-109.7000111.7F638 E641 W642 K645 P679 D680 E685 L686F638-F682 AromaticContact CD2-CE1 3.95Å; F638-F682 HydrophobicContact CD2-CE1 3.95Å; F638-F682 AromaticContact CE2-CD1 3.99Å; F638-F682 HydrophobicContact CE2-CD1 3.99Å; F638-F682 AromaticContact CE2-CE1 3.49Å; F638-F682 HydrophobicContact CE2-CE1 3.49Å; F638-F682 VanDerWaalsContact CE2-CE1 3.49Å; F638-F682 HydrophobicContact CZ-CD1 4.32Å; F638-F682 AromaticContact CZ-CE1 3.96Å; F638-F682 HydrophobicContact CZ-CE1 3.96Å; E641-F682 HydrophobicContact CB-CE2 4.41Å; E641-F682 HydrophobicContact CB-CZ 3.99Å; W642-F682 HydrophobicContact CB-CE1 4.05Å; W642-F682 HydrophobicContact CB-CZ 4.16Å; K645-F682 HydrophobicContact CG-CD2 4.27Å; K645-F682 HydrophobicContact CG-CE2 4.01Å; P679-F682 WeakPolarHBondContact O-CB 3.47Å; P679-F682 PolarHBondContact O-N 3.29Å; D680-F682 VanDerWaalsContact C-N 3.33Å; D680-F682 PolarHBondContact O-N 3.27Å; F682-E685 PolarHBondContact O-N 3.47Å; F682-L686 HydrophobicContact CD1-CD1 3.82Å; F682-L686 HydrophobicContact CD2-CD1 4.41Å; F682-L686 HydrophobicContact CE1-CD1 3.29Å; F682-L686 HydrophobicContact CE1-CG 4.38Å; F682-L686 HydrophobicContact CE2-CD1 3.94Å; F682-L686 HydrophobicContact CE2-CG 4.23Å; F682-L686 HydrophobicContact CG-CD1 4.36Å; F682-L686 HydrophobicContact CZ-CD1 3.37Å; F682-L686 HydrophobicContact CZ-CG 4.11Å; F682-L686 WeakPolarHBondContact O-CB 3.45Å; F682-L686 PolarHBondContact O-N 3.41Å
683I63.9Low57.3Low80 Ų80104.3 Ų104.341%0.4150%0.503SS..Hα-helixtrans-65.9-47.5175.5-60.6175.9000109.9D680 R681 E685 L686 E687D680-I683 PolarHBondContact O-N 3.19Å; R681-I683 VanDerWaalsContact C-N 3.31Å; R681-I683 PolarHBondContact O-N 3.3Å; I683-E685 VanDerWaalsContact C-N 3.31Å; I683-E685 PolarHBondContact O-N 3.27Å; I683-L686 PolarHBondContact O-N 2.72Å; I683-E687 WeakPolarHBondContact O-CG 3.48Å; I683-E687 PolarHBondContact O-N 3.09Å
684E66.5Low56.9Low102 Ų102111.6 Ų111.648%0.47752%0.52SS..Hα-helixtrans-60.8-38.8176.2-71.9-173.617500112.5D680 R681 E687 R688D680-E684 PolarHBondContact O-N 2.86Å; R681-E684 PolarHBondContact O-N 3.42Å; E684-E687 PolarHBondContact O-N 2.93Å; E684-R688 WeakPolarHBondContact O-CG 3.37Å; E684-R688 PolarHBondContact O-N 3.47Å
685E66.7Low57.4Low79 Ų79109.9 Ų109.937%0.36951%0.507SS..Hα-helixtrans-69.6-37178.9-151.5-171.9163.700111.7R681 F682 I683 R688 R689R681-E685 WeakPolarHBondContact O-CB 3.5Å; R681-E685 PolarHBondContact O-N 2.93Å; F682-E685 PolarHBondContact O-N 3.47Å; I683-E685 VanDerWaalsContact C-N 3.31Å; I683-E685 PolarHBondContact O-N 3.27Å; E685-R688 PolarHBondContact O-N 2.87Å; E685-R689 WeakPolarHBondContact O-CB 3.49Å; E685-R689 VanDerWaalsContact O-CG 3.29Å; E685-R689 WeakPolarHBondContact O-CG 3.49Å; E685-R689 PolarHBondContact O-N 3.45Å; E685-R689 IonicContact OE1-CZ 3.03Å; E685-R689 IonicContact OE1-NE 2.76Å; E685-R689 IonicContact OE1-NH2 2.77Å; E685-R689 PolarHBondContact OE1-NH2 3.09Å
686L62.9Low57.8Low18 Ų18110.4 Ų110.49%0.09451%0.506CS..Hα-helixtrans-69.3-33172.7-88.6168.4000113.2F638 F682 I683 I691F638-L686 HydrophobicContact CD2-CD1 3.46Å; F638-L686 VanDerWaalsContact CD2-CD1 3.46Å; F638-L686 HydrophobicContact CE2-CD1 3.56Å; F682-L686 HydrophobicContact CD1-CD1 3.82Å; F682-L686 HydrophobicContact CD2-CD1 4.41Å; F682-L686 HydrophobicContact CE1-CD1 3.29Å; F682-L686 HydrophobicContact CE1-CG 4.38Å; F682-L686 HydrophobicContact CE2-CD1 3.94Å; F682-L686 HydrophobicContact CE2-CG 4.23Å; F682-L686 HydrophobicContact CG-CD1 4.36Å; F682-L686 HydrophobicContact CZ-CD1 3.37Å; F682-L686 HydrophobicContact CZ-CG 4.11Å; F682-L686 WeakPolarHBondContact O-CB 3.45Å; F682-L686 PolarHBondContact O-N 3.41Å; I683-L686 PolarHBondContact O-N 2.72Å; L686-I691 HydrophobicContact CD2-CD1 4.03Å
687E62Low58.1Low134 Ų134112 Ų11263%0.62650%0.503SS*.Hα-helixtrans-70.2-34.4172.8-75.5-179.1170.700111.4I683 E684I683-E687 WeakPolarHBondContact O-CG 3.48Å; I683-E687 PolarHBondContact O-N 3.09Å; E684-E687 PolarHBondContact O-N 2.93Å
688R62.3Low58.2Low189 Ų189114.8 Ų114.871%0.71352%0.518SS*.Hα-helixtrans-76.9-34.7176.1-75.1-175.9-163.5164.510.2114E684 E685 D690E684-R688 WeakPolarHBondContact O-CG 3.37Å; E684-R688 PolarHBondContact O-N 3.47Å; E685-R688 PolarHBondContact O-N 2.87Å; R688-D690 PolarHBondContact O-N 3.15Å; R688-D690 VanDerWaalsContact O-N 3.17Å
689R55.9Low58.2Low117 Ų117115.9 Ų115.944%0.44252%0.518SS..SBendtrans-72.5107.7170.2-69.1178.5-171.7-148.22.5105E685 I691E685-R689 WeakPolarHBondContact O-CB 3.49Å; E685-R689 VanDerWaalsContact O-CG 3.29Å; E685-R689 WeakPolarHBondContact O-CG 3.49Å; E685-R689 PolarHBondContact O-N 3.45Å; E685-R689 IonicContact OE1-CZ 3.03Å; E685-R689 IonicContact OE1-NE 2.76Å; E685-R689 IonicContact OE1-NH2 2.77Å; E685-R689 PolarHBondContact OE1-NH2 3.09Å; R689-I691 HydrophobicContact CB-CD1 3.76Å; R689-I691 HydrophobicContact CB-CG1 3.93Å; R689-I691 PolarHBondContact O-N 3.1Å
690D54.8Low58.3Low118 Ų118119.5 Ų119.563%0.63153%0.526SS*.G310 helixtrans-5933-178.9-69.2-47.3000115.5R688 F692 Q693R688-D690 PolarHBondContact O-N 3.15Å; R688-D690 VanDerWaalsContact O-N 3.17Å; D690-F692 PolarHBondContact O-N 3.5Å; D690-Q693 PolarHBondContact O-N 3.19Å; D690-Q693 VanDerWaalsContact O-N 3.12Å
691I52.9Low58Low89 Ų89119.9 Ų119.946%0.45652%0.52SS..G310 helixtrans-63-26.6177.5-57.3166.7000110.2L686 R689 Q693L686-I691 HydrophobicContact CD2-CD1 4.03Å; R689-I691 HydrophobicContact CB-CD1 3.76Å; R689-I691 HydrophobicContact CB-CG1 3.93Å; R689-I691 PolarHBondContact O-N 3.1Å; I691-Q693 VanDerWaalsContact C-N 3.33Å; I691-Q693 PolarHBondContact O-N 3.03Å
692F49.9Very low57.6Low116 Ų116116.8 Ų116.851%0.50951%0.514SS..G310 helixtrans-80.3-6.3176.6-63.6-71.2000114.5W634 D690W634-F692 HydrophobicContact CE3-CE1 4.34Å; D690-F692 PolarHBondContact O-N 3.5Å
693Q43.5Very low56.8Low166 Ų166125.7 Ų125.778%0.77655%0.553SS**G310 helixtrans-107.95.4-177.7-77.9-159.51.200116.1D690 I691D690-Q693 PolarHBondContact O-N 3.19Å; D690-Q693 VanDerWaalsContact O-N 3.12Å; I691-Q693 VanDerWaalsContact C-N 3.33Å; I691-Q693 PolarHBondContact O-N 3.03Å
694R40.2Very low56.2Low300 Ų300129.8 Ų129.8100%1.13257%0.566SS**  trans-100.80163.6-78.1-174178.4-178.40.5110.6

Retrieved 694 of 694 residues in 256.2 ms (Link to these results)

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